smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1c2ccccc2CCN1C(=O)CC1([NH3+])CCC1 ZINC000158704150 500743063 /nfs/dbraw/zinc/74/30/63/500743063.db2.gz XIWOTEUSLFUCBS-HNNXBMFYSA-N 1 0 272.392 2.794 50 0 CFAARO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000096443925 534035215 /nfs/dbraw/zinc/03/52/15/534035215.db2.gz IRBVDAURLUNLRJ-CYBMUJFWSA-N 1 0 288.391 2.756 50 0 CFAARO CS[C@H]1CC[C@@H]([N@H+](C)CCc2ccccn2)C1 ZINC000096441616 534110975 /nfs/dbraw/zinc/11/09/75/534110975.db2.gz DDVOAZYJRPWPPT-KGLIPLIRSA-N 1 0 250.411 2.840 50 0 CFAARO CS[C@H]1CC[C@H]([N@H+](C)CCc2ccccn2)C1 ZINC000096441617 534115674 /nfs/dbraw/zinc/11/56/74/534115674.db2.gz DDVOAZYJRPWPPT-KBPBESRZSA-N 1 0 250.411 2.840 50 0 CFAARO CC(F)(F)c1ccc(CNC2=[NH+]CCCCN2)cc1 ZINC000521396950 517499639 /nfs/dbraw/zinc/49/96/39/517499639.db2.gz QNCUCVFOMCKZCJ-UHFFFAOYSA-N 1 0 267.323 2.627 50 0 CFAARO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338625955 519029490 /nfs/dbraw/zinc/02/94/90/519029490.db2.gz PFJARZVGLMGEHD-INIZCTEOSA-N 1 0 265.372 2.890 50 0 CFAARO CC(C)(C)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338625958 519029955 /nfs/dbraw/zinc/02/99/55/519029955.db2.gz PFJARZVGLMGEHD-MRXNPFEDSA-N 1 0 265.372 2.890 50 0 CFAARO CCOc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000156295850 520659350 /nfs/dbraw/zinc/65/93/50/520659350.db2.gz JQPHWTCZMUVGNE-HIFRSBDPSA-N 1 0 290.407 2.593 50 0 CFAARO CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000004991310 521370594 /nfs/dbraw/zinc/37/05/94/521370594.db2.gz NLFDCJIOQNLUBO-QGZVFWFLSA-N 1 0 285.387 2.948 50 0 CFAARO C[NH2+]Cc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1 ZINC000050478956 522102388 /nfs/dbraw/zinc/10/23/88/522102388.db2.gz HIVOFESABGCHHI-UHFFFAOYSA-N 1 0 255.243 2.815 50 0 CFAARO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)ccc1F ZINC000251792856 522943400 /nfs/dbraw/zinc/94/34/00/522943400.db2.gz WLUQUQJDNNPQAT-VHRBIJSZSA-N 1 0 267.344 2.646 50 0 CFAARO C[NH+](C)C1CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000078992613 524039730 /nfs/dbraw/zinc/03/97/30/524039730.db2.gz TZARHCTYSKCGOU-UHFFFAOYSA-N 1 0 297.402 2.644 50 0 CFAARO Cc1ccc(CCCC(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000156933488 524307963 /nfs/dbraw/zinc/30/79/63/524307963.db2.gz KYBBOXHVVVABCF-IUODEOHRSA-N 1 0 294.464 2.965 50 0 CFAARO Cc1cc2cccc(C(=O)N[C@H]3CC[C@@H]([NH3+])CC3)c2o1 ZINC000244734404 525652774 /nfs/dbraw/zinc/65/27/74/525652774.db2.gz NEZSBCPGPGHQFV-BETUJISGSA-N 1 0 272.348 2.741 50 0 CFAARO CSCc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000156269155 525724107 /nfs/dbraw/zinc/72/41/07/525724107.db2.gz LGLYACDMAQWFLE-DOMZBBRYSA-N 1 0 292.448 2.749 50 0 CFAARO Cc1nnc(C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)s1 ZINC000361027354 526345213 /nfs/dbraw/zinc/34/52/13/526345213.db2.gz XZNCOIDAQINTRL-MNOVXSKESA-N 1 0 269.414 2.528 50 0 CFAARO C1=C[C@H]([NH+]2CCC(OC3CCOCC3)CC2)CCC1 ZINC000098012707 526420297 /nfs/dbraw/zinc/42/02/97/526420297.db2.gz RYPKNNOSADHMTE-AWEZNQCLSA-N 1 0 265.397 2.755 50 0 CFAARO CC(C)(C)OCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000096490445 526552620 /nfs/dbraw/zinc/55/26/20/526552620.db2.gz VZOBOOHWNAIGRE-CYBMUJFWSA-N 1 0 292.427 2.608 50 0 CFAARO Cn1c(C[NH2+][C@H]2CCCSC2)nc2ccccc21 ZINC000135696324 527062433 /nfs/dbraw/zinc/06/24/33/527062433.db2.gz LRYFBVFHQBEXEP-NSHDSACASA-N 1 0 261.394 2.559 50 0 CFAARO CCCc1nnc(SCC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000122200803 528778415 /nfs/dbraw/zinc/77/84/15/528778415.db2.gz DMURPJSHKXBELN-NSHDSACASA-N 1 0 269.414 2.989 50 0 CFAARO CC[N@H+](Cc1cnn(C)c1)Cc1cc(F)ccc1C ZINC000179978174 528877003 /nfs/dbraw/zinc/87/70/03/528877003.db2.gz ZBMWIAJBBOKFOA-UHFFFAOYSA-N 1 0 261.344 2.890 50 0 CFAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441708 529221229 /nfs/dbraw/zinc/22/12/29/529221229.db2.gz FRGPVYIMSYSRLH-NWDGAFQWSA-N 1 0 297.424 2.528 50 0 CFAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441709 529234527 /nfs/dbraw/zinc/23/45/27/529234527.db2.gz FRGPVYIMSYSRLH-RYUDHWBXSA-N 1 0 297.424 2.528 50 0 CFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000007988827 536423170 /nfs/dbraw/zinc/42/31/70/536423170.db2.gz CTMJFUGDCDNNLX-HNNXBMFYSA-N 1 0 299.418 2.733 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)CCC2 ZINC000121434829 545500835 /nfs/dbraw/zinc/50/08/35/545500835.db2.gz ZVVIMHCPQZATMS-MBNYWOFBSA-N 1 0 280.437 2.970 50 0 CFAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@@H](O)c1ccncc1 ZINC000090713151 566955605 /nfs/dbraw/zinc/95/56/05/566955605.db2.gz CNRSICPTHKVGEL-WMLDXEAASA-N 1 0 270.376 2.644 50 0 CFAARO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000239672508 570355165 /nfs/dbraw/zinc/35/51/65/570355165.db2.gz BTNIYVUXEIFSGC-QXSJWSMHSA-N 1 0 295.471 2.985 50 0 CFAARO CSc1ccc(NC(=O)NC[C@]2(C)CC[N@H+](C)C2)cc1 ZINC000952973387 617280356 /nfs/dbraw/zinc/28/03/56/617280356.db2.gz LEMWNNDGKLWBGA-HNNXBMFYSA-N 1 0 293.436 2.872 50 0 CFAARO CCCN1C[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC1=O ZINC000952962232 614813308 /nfs/dbraw/zinc/81/33/08/614813308.db2.gz CJSGHAWERCTNTE-LLVKDONJSA-N 1 0 284.762 2.580 50 0 CFAARO CCCOc1c(Cl)cccc1NC(=O)[C@@H]1C=CC[NH2+]1 ZINC000952982058 614951872 /nfs/dbraw/zinc/95/18/72/614951872.db2.gz VCLXQPIDCHBPAD-LBPRGKRZSA-N 1 0 280.755 2.595 50 0 CFAARO CC[C@@H](C(=O)N1CCC(CC)(CC)C1)[N@H+](C)CC ZINC000952979097 615368298 /nfs/dbraw/zinc/36/82/98/615368298.db2.gz QTPCOAYAMACMCB-ZDUSSCGKSA-N 1 0 254.418 2.755 50 0 CFAARO CC[C@H](C(=O)NCc1cccc(Cl)c1C)[N@H+](C)CC ZINC000952965182 615607068 /nfs/dbraw/zinc/60/70/68/615607068.db2.gz FSWJUFUJNMVAMX-CQSZACIVSA-N 1 0 282.815 2.995 50 0 CFAARO Cc1ccccc1O[C@H](C)CC[C@@H](C)[NH2+]CCO ZINC000002931858 618095660 /nfs/dbraw/zinc/09/56/60/618095660.db2.gz QFKMWHPIUDSPJK-ZIAGYGMSSA-N 1 0 251.370 2.513 50 0 CFAARO COc1ccccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000002954456 618101514 /nfs/dbraw/zinc/10/15/14/618101514.db2.gz JCWUNTJCOWPDMU-UHFFFAOYSA-N 1 0 293.407 2.823 50 0 CFAARO Cn1cncc1C[N@H+](C)C(C)(C)c1ccc2c(c1)OCO2 ZINC000177028073 618255473 /nfs/dbraw/zinc/25/54/73/618255473.db2.gz PGSXNDRKVPRGQL-UHFFFAOYSA-N 1 0 287.363 2.516 50 0 CFAARO CC(C)(C)C1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC000003683643 618685803 /nfs/dbraw/zinc/68/58/03/618685803.db2.gz ZAVYDBHALYYPGU-UHFFFAOYSA-N 1 0 266.429 2.789 50 0 CFAARO Cc1ccc([C@@]2(C)N(O)[C@H](C)C(c3ccccc3)[N+]2=O)o1 ZINC000000442910 619084134 /nfs/dbraw/zinc/08/41/34/619084134.db2.gz MYDWXFODLRZOJP-WBMJQRKESA-N 1 0 286.331 2.854 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000004022339 619391174 /nfs/dbraw/zinc/39/11/74/619391174.db2.gz VZOFCGUVUCUHGV-JKSUJKDBSA-N 1 0 278.440 2.923 50 0 CFAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030283109 623570564 /nfs/dbraw/zinc/57/05/64/623570564.db2.gz VTVBIHQEZZNUEH-LBPRGKRZSA-N 1 0 290.382 2.877 50 0 CFAARO CCc1ccc(-c2noc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000874435605 624453311 /nfs/dbraw/zinc/45/33/11/624453311.db2.gz ZBOZJJQAESKKLQ-LSDHHAIUSA-N 1 0 299.374 2.835 50 0 CFAARO COC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180199436 625003643 /nfs/dbraw/zinc/00/36/43/625003643.db2.gz XFCGVEKBWSWUBL-HNNXBMFYSA-N 1 0 299.418 2.946 50 0 CFAARO CC(C)c1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000011838945 626194571 /nfs/dbraw/zinc/19/45/71/626194571.db2.gz REJMARPWYIGOAB-UHFFFAOYSA-N 1 0 276.409 2.521 50 0 CFAARO CCN(CC)c1ncccc1C[NH2+]C1CCSCC1 ZINC000012571138 626420846 /nfs/dbraw/zinc/42/08/46/626420846.db2.gz UQIZZOXHMCUEDN-UHFFFAOYSA-N 1 0 279.453 2.913 50 0 CFAARO C[C@@H]1CC([C@@H]2CC[C@@H](C(F)(F)F)NC2)C[C@@H](C)[NH2+]1 ZINC000757215501 630884529 /nfs/dbraw/zinc/88/45/29/630884529.db2.gz VNWPWQXZILJDAA-BFLSOPEQSA-N 1 0 264.335 2.694 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000863983385 637832807 /nfs/dbraw/zinc/83/28/07/637832807.db2.gz GMVSSGJBFJNCEH-CHWSQXEVSA-N 1 0 268.426 2.872 50 0 CFAARO C[C@H](C1CC1)[N@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000195514512 650756143 /nfs/dbraw/zinc/75/61/43/650756143.db2.gz USLSOOMDJOKINM-GFCCVEGCSA-N 1 0 297.402 2.696 50 0 CFAARO Cc1cc(N2CCC[C@H](CNC(=O)c3ccoc3)C2)cc[nH+]1 ZINC000952967367 650790126 /nfs/dbraw/zinc/79/01/26/650790126.db2.gz KKWDDNYVUFWDEG-CQSZACIVSA-N 1 0 299.374 2.629 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CN2c3ccccc3SCC2=O)C1 ZINC000095358980 650972200 /nfs/dbraw/zinc/97/22/00/650972200.db2.gz GRVCTRDGPJECMR-ZDUSSCGKSA-N 1 0 290.432 2.856 50 0 CFAARO COc1ccccc1NC1=NNC(=C2C=CC=[NH+]2)CS1 ZINC000104981197 647694711 /nfs/dbraw/zinc/69/47/11/647694711.db2.gz LKIDPILLZKHSIE-BENRWUELSA-N 1 0 286.360 2.567 50 0 CFAARO CCc1cc(C)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)o1 ZINC000134991356 647890019 /nfs/dbraw/zinc/89/00/19/647890019.db2.gz RZYHAUZJYWCPIY-CYBMUJFWSA-N 1 0 278.396 2.755 50 0 CFAARO OC[C@@H](Cc1ccccc1)[NH2+]CC1=Cc2ccccc2OC1 ZINC000187367630 648852870 /nfs/dbraw/zinc/85/28/70/648852870.db2.gz MZVGZHZVWLEZBO-GOSISDBHSA-N 1 0 295.382 2.656 50 0 CFAARO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)nc(C2CCC2)n1 ZINC000928996273 648972082 /nfs/dbraw/zinc/97/20/82/648972082.db2.gz RBXNXRCRADDVQU-GXTWGEPZSA-N 1 0 274.412 2.581 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1cc(C)nc2ccccc21 ZINC000000104302 651098662 /nfs/dbraw/zinc/09/86/62/651098662.db2.gz LKDJDCCTFDPUNM-UHFFFAOYSA-N 1 0 271.364 2.824 50 0 CFAARO CN(C)c1ncccc1C[NH2+]Cc1cccc2cccnc21 ZINC000015070317 651185006 /nfs/dbraw/zinc/18/50/06/651185006.db2.gz CUEIJULDRGMZNO-UHFFFAOYSA-N 1 0 292.386 2.986 50 0 CFAARO c1cc(-c2noc([C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)ccn1 ZINC000019336583 651289464 /nfs/dbraw/zinc/28/94/64/651289464.db2.gz MPCGGSJDQARUNW-ZIAGYGMSSA-N 1 0 284.363 2.864 50 0 CFAARO O[C@@H]1CN(Cc2ccsc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000020449534 651299111 /nfs/dbraw/zinc/29/91/11/651299111.db2.gz IXKKNYOPMRJIPV-HZPDHXFCSA-N 1 0 294.464 2.559 50 0 CFAARO Cc1cccc(OCCOCC[NH+]2CCCCC2)c1 ZINC000023549836 775475531 /nfs/dbraw/zinc/47/55/31/775475531.db2.gz TXPDTLDSLCGRFB-UHFFFAOYSA-N 1 0 263.381 2.876 50 0 CFAARO Cc1nc(CO[C@@H]2CCC[N@@H+](C3CCCCC3)C2)no1 ZINC000675015964 775983642 /nfs/dbraw/zinc/98/36/42/775983642.db2.gz BLKJKHXMFRVBBP-CQSZACIVSA-N 1 0 279.384 2.692 50 0 CFAARO CCC[N@@H+]1CCCC[C@H]1C(=O)NNc1ccc(F)cc1 ZINC000049519547 779127276 /nfs/dbraw/zinc/12/72/76/779127276.db2.gz VTMDLDJXHVRPAX-AWEZNQCLSA-N 1 0 279.359 2.533 50 0 CFAARO CC(C)=CC[NH+]1CCC(CNC(=O)c2ccoc2)CC1 ZINC000952961855 780220752 /nfs/dbraw/zinc/22/07/52/780220752.db2.gz CVVIJAWQJZTKTQ-UHFFFAOYSA-N 1 0 276.380 2.688 50 0 CFAARO CC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000820563944 781870905 /nfs/dbraw/zinc/87/09/05/781870905.db2.gz IKMUXNCBKUEVNV-UHFFFAOYSA-N 1 0 272.392 2.662 50 0 CFAARO C[C@H](Cc1ccsc1)NC(=O)C[NH+]1CCCCCC1 ZINC000821471594 781883339 /nfs/dbraw/zinc/88/33/39/781883339.db2.gz DXFRHJIYVVWRPS-CYBMUJFWSA-N 1 0 280.437 2.671 50 0 CFAARO CCCCn1nc(C)nc1-c1ccc(CC[NH3+])cc1 ZINC000822888680 781913345 /nfs/dbraw/zinc/91/33/45/781913345.db2.gz DOQXDGHYSBCVSJ-UHFFFAOYSA-N 1 0 258.369 2.555 50 0 CFAARO Cn1nc(CN2CCCC[C@H]([NH3+])C2)c2c1cccc2Cl ZINC000082087841 177920127 /nfs/dbraw/zinc/92/01/27/177920127.db2.gz VZTIKWCCNVZKJY-NSHDSACASA-N 1 0 292.814 2.540 50 0 CFAARO OCCC1([NH2+]Cc2cc3cc(F)ccc3o2)CCOCC1 ZINC000096474741 230379562 /nfs/dbraw/zinc/37/95/62/230379562.db2.gz ARMXJIBGOQEBBN-UHFFFAOYSA-N 1 0 293.338 2.593 50 0 CFAARO C[C@](O)(C[NH2+][C@@H]1CCc2ccccc2C1)c1ccco1 ZINC000096478472 230379944 /nfs/dbraw/zinc/37/99/44/230379944.db2.gz FXNGIJUYEQBCHK-WBVHZDCISA-N 1 0 271.360 2.634 50 0 CFAARO CCOc1ccccc1O[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000096490306 230382407 /nfs/dbraw/zinc/38/24/07/230382407.db2.gz SMEQUXUGXUJYAP-QLFBSQMISA-N 1 0 291.391 2.764 50 0 CFAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(CO)c2)cc1 ZINC000096493934 230383527 /nfs/dbraw/zinc/38/35/27/230383527.db2.gz RQJBDZCBZMYZIC-KSSFIOAISA-N 1 0 285.387 2.872 50 0 CFAARO O[C@H](C[NH2+][C@@H]1CSCc2ccccc21)c1ccco1 ZINC000097016503 230386424 /nfs/dbraw/zinc/38/64/24/230386424.db2.gz GYACGJVDCDVJQY-ZIAGYGMSSA-N 1 0 275.373 2.891 50 0 CFAARO c1cc(CN2CCC[C@@H]([NH+]3CCCCC3)C2)ccn1 ZINC000098013296 230390488 /nfs/dbraw/zinc/39/04/88/230390488.db2.gz PKKVOEDFKCCHMF-MRXNPFEDSA-N 1 0 259.397 2.532 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)c(OC)c1 ZINC000004060982 230368040 /nfs/dbraw/zinc/36/80/40/230368040.db2.gz HKAXPSOXPITRAT-XIRDDKMYSA-N 1 0 291.391 2.660 50 0 CFAARO COc1cccc2c1OC[C@@H](Cc1ccc(C)[nH+]c1N)C2 ZINC000095530017 185004640 /nfs/dbraw/zinc/00/46/40/185004640.db2.gz NEZHDUJLPMBVNG-GFCCVEGCSA-N 1 0 284.359 2.775 50 0 CFAARO CCCC(=O)c1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000095918183 185030966 /nfs/dbraw/zinc/03/09/66/185030966.db2.gz NJIDKWWZUWACSE-CYBMUJFWSA-N 1 0 293.407 2.797 50 0 CFAARO Cc1noc(C)c1C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000095955448 185041733 /nfs/dbraw/zinc/04/17/33/185041733.db2.gz PARYREDQTRFDAX-UHFFFAOYSA-N 1 0 282.347 2.971 50 0 CFAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N(Cc1ccsc1)C1CC1 ZINC000095954908 185041815 /nfs/dbraw/zinc/04/18/15/185041815.db2.gz INLBXTJCUGJNGJ-GFCCVEGCSA-N 1 0 292.448 2.969 50 0 CFAARO CC[C@H](COC)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000095968260 185046516 /nfs/dbraw/zinc/04/65/16/185046516.db2.gz OTECVMHJLUSALA-CGTJXYLNSA-N 1 0 290.451 2.912 50 0 CFAARO CC[C@H](COC)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000095968262 185046807 /nfs/dbraw/zinc/04/68/07/185046807.db2.gz OTECVMHJLUSALA-JQHSSLGASA-N 1 0 290.451 2.912 50 0 CFAARO OCC[C@H]([NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000095970877 185048979 /nfs/dbraw/zinc/04/89/79/185048979.db2.gz CIAGAFKFGNFGEL-ZDUSSCGKSA-N 1 0 257.736 2.730 50 0 CFAARO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC1CCOCC1 ZINC000095973778 185049751 /nfs/dbraw/zinc/04/97/51/185049751.db2.gz ICNUITMGHYQALH-UHFFFAOYSA-N 1 0 290.451 2.913 50 0 CFAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccncc1 ZINC000095978214 185051922 /nfs/dbraw/zinc/05/19/22/185051922.db2.gz RJNLUVIFUNWHAW-WCQYABFASA-N 1 0 262.378 2.745 50 0 CFAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000095982312 185054533 /nfs/dbraw/zinc/05/45/33/185054533.db2.gz CLTCGGYMYWNNIV-FYWRMAATSA-N 1 0 286.419 2.890 50 0 CFAARO C[C@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)CS(C)(=O)=O ZINC000096013959 185066400 /nfs/dbraw/zinc/06/64/00/185066400.db2.gz UKCUFTLWSGFYOA-NEPJUHHUSA-N 1 0 295.404 2.764 50 0 CFAARO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(F)c(Cl)c1 ZINC000095984574 185055692 /nfs/dbraw/zinc/05/56/92/185055692.db2.gz DHOKKQPDWMWAQU-SNVBAGLBSA-N 1 0 284.762 2.752 50 0 CFAARO COc1ccc([C@@H]2CC[N@H+](CCCn3ccnc3)C2)cc1 ZINC000095987221 185056144 /nfs/dbraw/zinc/05/61/44/185056144.db2.gz ARXQZBHUOVMGBM-MRXNPFEDSA-N 1 0 285.391 2.771 50 0 CFAARO COc1ccccc1CC(C)(C)[NH2+][C@H]1CCO[C@@H]1C ZINC000095991243 185058380 /nfs/dbraw/zinc/05/83/80/185058380.db2.gz MFQPAGCERGYRGE-OCCSQVGLSA-N 1 0 263.381 2.783 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(Br)cc1F ZINC000127767869 187331907 /nfs/dbraw/zinc/33/19/07/187331907.db2.gz TYQMRLKSWOCFHX-JGVFFNPUSA-N 1 0 276.149 2.620 50 0 CFAARO CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000097019416 185152443 /nfs/dbraw/zinc/15/24/43/185152443.db2.gz INPKSOXPPXRPBA-SNVBAGLBSA-N 1 0 284.812 2.625 50 0 CFAARO CCOc1ccc(N(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000097019165 185153287 /nfs/dbraw/zinc/15/32/87/185153287.db2.gz VHVMSUWDIOYCQZ-KRWDZBQOSA-N 1 0 298.386 2.618 50 0 CFAARO COc1ccc([C@H](CO)[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000097021684 185153827 /nfs/dbraw/zinc/15/38/27/185153827.db2.gz VFHLKDGEPIZWCP-INIZCTEOSA-N 1 0 293.313 2.797 50 0 CFAARO C[C@H]([NH2+]Cc1ccncc1Cl)C1CCOCC1 ZINC000097033542 185155783 /nfs/dbraw/zinc/15/57/83/185155783.db2.gz VUXNYAZIRFIQOD-JTQLQIEISA-N 1 0 254.761 2.640 50 0 CFAARO Cn1cc(C[N@@H+]2CCC[C@@](C)(CO)C2)c(-c2ccccc2)n1 ZINC000097033945 185155990 /nfs/dbraw/zinc/15/59/90/185155990.db2.gz SVHXAAFPDQVULE-GOSISDBHSA-N 1 0 299.418 2.682 50 0 CFAARO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000097034793 185157431 /nfs/dbraw/zinc/15/74/31/185157431.db2.gz WISQZGWBYAHXPH-MEBBXXQBSA-N 1 0 295.766 2.888 50 0 CFAARO CC[N@@H+]1CC[C@@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000823104909 781921241 /nfs/dbraw/zinc/92/12/41/781921241.db2.gz UNJNBHBKAVQXCY-GFCCVEGCSA-N 1 0 274.393 2.711 50 0 CFAARO C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072294748 346925401 /nfs/dbraw/zinc/92/54/01/346925401.db2.gz QDZBPXWNOSLFAU-CYBMUJFWSA-N 1 0 295.452 2.929 50 0 CFAARO CN(C)[C@H]1CCCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000082138987 282251797 /nfs/dbraw/zinc/25/17/97/282251797.db2.gz WMPZIQPKRUITFL-INIZCTEOSA-N 1 0 258.409 2.570 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000065502696 282268730 /nfs/dbraw/zinc/26/87/30/282268730.db2.gz ZBSCJJXPVCZVFQ-QGZVFWFLSA-N 1 0 298.434 2.880 50 0 CFAARO CCc1nc2n(n1)C[C@@H]([NH2+]C/C(C)=C\c1ccccc1)CC2 ZINC000096295232 529750977 /nfs/dbraw/zinc/75/09/77/529750977.db2.gz TZROXSWCUSZXKA-QBOMHBFWSA-N 1 0 296.418 2.848 50 0 CFAARO CCc1nc2n(n1)C[C@H]([NH2+]C/C(C)=C\c1ccccc1)CC2 ZINC000096295231 529751497 /nfs/dbraw/zinc/75/14/97/529751497.db2.gz TZROXSWCUSZXKA-SYCZXOQXSA-N 1 0 296.418 2.848 50 0 CFAARO C[C@@H]1C[NH+](CCn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 ZINC000075105640 347055865 /nfs/dbraw/zinc/05/58/65/347055865.db2.gz WZIGEJSGNLISCY-HUUCEWRRSA-N 1 0 285.391 2.659 50 0 CFAARO C[C@H]1C[NH+](CCn2cc(-c3ccccc3)cn2)C[C@H](C)O1 ZINC000075105638 347056035 /nfs/dbraw/zinc/05/60/35/347056035.db2.gz WZIGEJSGNLISCY-GJZGRUSLSA-N 1 0 285.391 2.659 50 0 CFAARO C[N@H+](Cc1cccnc1)[C@H](CCO)c1ccccc1 ZINC000096441573 530006528 /nfs/dbraw/zinc/00/65/28/530006528.db2.gz BPWFRAVHLQVORQ-MRXNPFEDSA-N 1 0 256.349 2.637 50 0 CFAARO Cc1noc(C)c1C[NH2+]C[C@H]1COC2(CCC(C)CC2)O1 ZINC000095991156 282386931 /nfs/dbraw/zinc/38/69/31/282386931.db2.gz ZDKGZFSZARVATO-WMEQCIOUSA-N 1 0 294.395 2.703 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000097272411 185574790 /nfs/dbraw/zinc/57/47/90/185574790.db2.gz FLRMSHAAEXFVLP-TXTHVTMNSA-N 1 0 261.365 2.555 50 0 CFAARO CC(C)(C)[C@@H](CO)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000097238084 185570945 /nfs/dbraw/zinc/57/09/45/185570945.db2.gz LOUKNYMZZSRCPW-GFCCVEGCSA-N 1 0 280.393 2.900 50 0 CFAARO Cc1[nH]c2ccc(C(=O)NCC[NH2+]C(C)(C)C)cc2c1C ZINC000097594149 185635053 /nfs/dbraw/zinc/63/50/53/185635053.db2.gz MGZOAJLRWKMFPX-UHFFFAOYSA-N 1 0 287.407 2.903 50 0 CFAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1F)[NH2+]CC2 ZINC000004031340 346209727 /nfs/dbraw/zinc/20/97/27/346209727.db2.gz GOQPKPSSOSKRIJ-SNPRPXQTSA-N 1 0 267.319 2.921 50 0 CFAARO C[NH2+]C[C@@H](C)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000006036580 346213559 /nfs/dbraw/zinc/21/35/59/346213559.db2.gz AONRUTIUKXIKAZ-QAPCUYQASA-N 1 0 269.388 2.972 50 0 CFAARO CCC[NH+]1CCC(N2CCc3ccccc3C2)CC1 ZINC000023282809 346252388 /nfs/dbraw/zinc/25/23/88/346252388.db2.gz QDXJILSWYXJZIF-UHFFFAOYSA-N 1 0 258.409 2.919 50 0 CFAARO c1ccc(-c2nnc(N3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000026471299 346264850 /nfs/dbraw/zinc/26/48/50/346264850.db2.gz GCMUHGJHZLTCPV-UHFFFAOYSA-N 1 0 290.370 2.706 50 0 CFAARO COCC[N@H+](CC(=O)Nc1ccccc1C)C1CCCC1 ZINC000026447211 346265192 /nfs/dbraw/zinc/26/51/92/346265192.db2.gz WVRRWSSGTYUXCM-UHFFFAOYSA-N 1 0 290.407 2.825 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)on1 ZINC000052008085 346510804 /nfs/dbraw/zinc/51/08/04/346510804.db2.gz BBVHRFHTVFUUIU-STQMWFEESA-N 1 0 250.342 2.689 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)on1 ZINC000052008087 346510951 /nfs/dbraw/zinc/51/09/51/346510951.db2.gz BBVHRFHTVFUUIU-QWHCGFSZSA-N 1 0 250.342 2.689 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2C)C12CCCC2 ZINC000085680215 179113472 /nfs/dbraw/zinc/11/34/72/179113472.db2.gz SHFPYOSGOXFGHU-KGLIPLIRSA-N 1 0 263.385 2.546 50 0 CFAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000076057456 347117104 /nfs/dbraw/zinc/11/71/04/347117104.db2.gz XFWVNZWFMLNEFS-WCQYABFASA-N 1 0 298.814 2.916 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000079075246 347288549 /nfs/dbraw/zinc/28/85/49/347288549.db2.gz UZXVDGWSLMCHLK-SMDDNHRTSA-N 1 0 252.427 2.875 50 0 CFAARO CCC(C)(C)C[NH2+]C[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000089941994 347532892 /nfs/dbraw/zinc/53/28/92/347532892.db2.gz VNCYLICWGWIPJN-OCCSQVGLSA-N 1 0 265.401 2.524 50 0 CFAARO O=C(C[C@H]1CC[NH2+]C1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000128563424 187377606 /nfs/dbraw/zinc/37/76/06/187377606.db2.gz KXROUJCWPLXRIU-GFCCVEGCSA-N 1 0 292.810 2.835 50 0 CFAARO Cc1cnc([C@@H](C)N2CCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000095458186 347698228 /nfs/dbraw/zinc/69/82/28/347698228.db2.gz XYZQWSGZCAJIMY-KGLIPLIRSA-N 1 0 263.385 2.604 50 0 CFAARO CCC(CC)C[NH2+]C[C@H]1COc2ccccc2C1=O ZINC000096026759 347700587 /nfs/dbraw/zinc/70/05/87/347700587.db2.gz AZQKLDGBETYZQU-ZDUSSCGKSA-N 1 0 261.365 2.904 50 0 CFAARO CCN(CC1=[NH+]CCN1)c1cccc2ccccc21 ZINC000096026450 347700640 /nfs/dbraw/zinc/70/06/40/347700640.db2.gz JHYBPZLKWZTCKT-UHFFFAOYSA-N 1 0 253.349 2.668 50 0 CFAARO CCCC[NH2+]C[C@H]1COc2ccc(Cl)cc2C1=O ZINC000096026806 347700676 /nfs/dbraw/zinc/70/06/76/347700676.db2.gz MLLXSFBWYRJPEQ-JTQLQIEISA-N 1 0 267.756 2.921 50 0 CFAARO c1ccc([C@H](Cc2cnccn2)[NH+]2CCCC2)cc1 ZINC000096026926 347700679 /nfs/dbraw/zinc/70/06/79/347700679.db2.gz RHUANDKOIIKHRB-INIZCTEOSA-N 1 0 253.349 2.856 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(CO)c2)C1(C)C ZINC000097231010 347707817 /nfs/dbraw/zinc/70/78/17/347707817.db2.gz AHNPMQOLVBUVLY-CABCVRRESA-N 1 0 281.371 2.611 50 0 CFAARO Cc1cccc([C@@H](O)C[NH2+][C@@H]2CCCSC2)c1 ZINC000097370972 347708434 /nfs/dbraw/zinc/70/84/34/347708434.db2.gz AUMRBVHWBZDACR-KGLIPLIRSA-N 1 0 251.395 2.514 50 0 CFAARO Cc1ncsc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000097377033 347709226 /nfs/dbraw/zinc/70/92/26/347709226.db2.gz VHTDSKVIFCLAIN-ZDUSSCGKSA-N 1 0 290.436 2.640 50 0 CFAARO Cc1cc([C@H](C)[NH2+]CC(=O)N2CCC(C)CC2)c(C)o1 ZINC000097373919 347709295 /nfs/dbraw/zinc/70/92/95/347709295.db2.gz AXUSUCLNXATUFN-ZDUSSCGKSA-N 1 0 278.396 2.806 50 0 CFAARO CC(C)N1CC[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630942 347715589 /nfs/dbraw/zinc/71/55/89/347715589.db2.gz ICBHPSKIKLGCED-CHWSQXEVSA-N 1 0 256.752 2.962 50 0 CFAARO Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@H]2CCSC2)cc1F ZINC000110708318 347749958 /nfs/dbraw/zinc/74/99/58/347749958.db2.gz FGBOGUBBDCVFKJ-GDLCADMTSA-N 1 0 285.359 2.890 50 0 CFAARO CC(C)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)n1 ZINC000125567444 347828427 /nfs/dbraw/zinc/82/84/27/347828427.db2.gz LSCXSACDHJCMGB-CZUORRHYSA-N 1 0 262.397 2.846 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1nccs1 ZINC000086508046 179303895 /nfs/dbraw/zinc/30/38/95/179303895.db2.gz JRYIEVGSOPLTKD-WDEREUQCSA-N 1 0 276.361 2.634 50 0 CFAARO CCCCNC(=O)NC[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000725255230 539587894 /nfs/dbraw/zinc/58/78/94/539587894.db2.gz WVVHYQDVTBQJFE-IUODEOHRSA-N 1 0 269.433 2.629 50 0 CFAARO C[C@@](C[NH3+])(NC(=O)c1cc2cc(Cl)ccc2o1)C1CC1 ZINC000154919626 347983737 /nfs/dbraw/zinc/98/37/37/347983737.db2.gz RKMVVDCEFRFCGU-HNNXBMFYSA-N 1 0 292.766 2.943 50 0 CFAARO C[C@H](Cn1cncn1)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154133955 347978221 /nfs/dbraw/zinc/97/82/21/347978221.db2.gz UPFGXJIEYHRAPG-NUYPLMSZSA-N 1 0 290.798 2.856 50 0 CFAARO COC[C@](C)([NH2+]Cc1nc(C)ccc1O)c1ccccc1 ZINC000154693462 347981845 /nfs/dbraw/zinc/98/18/45/347981845.db2.gz BXFCDPDXYBBWJD-KRWDZBQOSA-N 1 0 286.375 2.747 50 0 CFAARO CSc1cccc(N(C)C(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000163149626 348033072 /nfs/dbraw/zinc/03/30/72/348033072.db2.gz GBOLHYYWVAEFIU-GFCCVEGCSA-N 1 0 266.410 2.745 50 0 CFAARO CSC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000165286415 348039232 /nfs/dbraw/zinc/03/92/32/348039232.db2.gz AAZMJNHTSXNLAW-ILXRZTDVSA-N 1 0 265.422 2.984 50 0 CFAARO COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)oc21 ZINC000170065719 348053541 /nfs/dbraw/zinc/05/35/41/348053541.db2.gz RIYGIZFKDOTZGR-NLQQUQSOSA-N 1 0 295.404 2.859 50 0 CFAARO Cc1noc(C)c1C[N@H+](C)CCCc1cncc(F)c1 ZINC000170600000 348055894 /nfs/dbraw/zinc/05/58/94/348055894.db2.gz ILTYSBSPVFIXJJ-UHFFFAOYSA-N 1 0 277.343 2.890 50 0 CFAARO CC[C@H]([NH2+]CC(=O)Nc1nccs1)c1cccs1 ZINC000184068859 348127227 /nfs/dbraw/zinc/12/72/27/348127227.db2.gz FVBIXKRKVSABOD-VIFPVBQESA-N 1 0 281.406 2.884 50 0 CFAARO C[C@H](CCCO)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000195553553 348146090 /nfs/dbraw/zinc/14/60/90/348146090.db2.gz KJHPXEWVWLUHRC-HUUCEWRRSA-N 1 0 268.445 2.534 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H](O)c1ccc(F)c(F)c1 ZINC000195558681 348146175 /nfs/dbraw/zinc/14/61/75/348146175.db2.gz SDBPWLJDPKPMAT-DRCTWCGVSA-N 1 0 287.375 2.872 50 0 CFAARO Cc1ccc(F)cc1C[NH2+][C@H](C)CCN1CCCC1=O ZINC000195552854 348146197 /nfs/dbraw/zinc/14/61/97/348146197.db2.gz MYBBGDIGSWBULH-CYBMUJFWSA-N 1 0 278.371 2.625 50 0 CFAARO COC(=O)[C@H]1CCCCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000195568782 348146922 /nfs/dbraw/zinc/14/69/22/348146922.db2.gz NOPBGMLVGPHIET-NWDGAFQWSA-N 1 0 282.409 2.663 50 0 CFAARO CCCCn1c[n+](Cc2ccccc2Cl)cn1 ZINC000230518665 348206734 /nfs/dbraw/zinc/20/67/34/348206734.db2.gz NFAQXSQYIHEVDZ-UHFFFAOYSA-N 1 0 250.753 2.672 50 0 CFAARO Cc1csc([C@H](C)[N@H+](C)C[C@H]2CC[C@H](O)CC2)n1 ZINC000244633183 348250519 /nfs/dbraw/zinc/25/05/19/348250519.db2.gz FYQJTPICKHHAMJ-AVGNSLFASA-N 1 0 268.426 2.995 50 0 CFAARO COc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000245343895 348252006 /nfs/dbraw/zinc/25/20/06/348252006.db2.gz WHZXLODWUHMEOH-XNRPHZJLSA-N 1 0 263.381 2.549 50 0 CFAARO C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245856867 348258336 /nfs/dbraw/zinc/25/83/36/348258336.db2.gz OZXZKMGSNLISSF-OWCLPIDISA-N 1 0 278.440 2.757 50 0 CFAARO O=C1OCC[C@@H]1CC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000253370346 348300933 /nfs/dbraw/zinc/30/09/33/348300933.db2.gz PQRXQGCHNNGNSM-AXFHLTTASA-N 1 0 279.302 2.650 50 0 CFAARO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000087121335 179395976 /nfs/dbraw/zinc/39/59/76/179395976.db2.gz MYXTVALRDZDKKO-HRCADAONSA-N 1 0 296.455 2.571 50 0 CFAARO CC(C)[NH2+]Cc1cc(-c2ccc(N(C)C)cc2)n[nH]1 ZINC000725264661 539621647 /nfs/dbraw/zinc/62/16/47/539621647.db2.gz CULBMHDVKIXERS-UHFFFAOYSA-N 1 0 258.369 2.641 50 0 CFAARO C[C@@H](C(=O)NCC1(C(F)(F)F)CC[NH2+]CC1)C(C)(C)C ZINC000725264726 539621687 /nfs/dbraw/zinc/62/16/87/539621687.db2.gz OIALTCFTTZHIEN-JTQLQIEISA-N 1 0 294.361 2.717 50 0 CFAARO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000401621576 348577807 /nfs/dbraw/zinc/57/78/07/348577807.db2.gz ROONUDKLYMYPNV-JHJVBQTASA-N 1 0 250.390 2.682 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000409421151 348600421 /nfs/dbraw/zinc/60/04/21/348600421.db2.gz QAKROAJHALYKMX-KRWDZBQOSA-N 1 0 297.402 2.906 50 0 CFAARO O=C(C[NH+]1CCCCCCC1)NCCCC[C@@H]1CCCO1 ZINC000584884159 348726366 /nfs/dbraw/zinc/72/63/66/348726366.db2.gz FSJRSXFEGUUHEW-MRXNPFEDSA-N 1 0 296.455 2.718 50 0 CFAARO CC[C@@H](NC(=O)CCC[NH+]1CCCC1)c1cccc(C)n1 ZINC000584887904 348727120 /nfs/dbraw/zinc/72/71/20/348727120.db2.gz CDDSAHGPPAHEQM-OAHLLOKOSA-N 1 0 289.423 2.833 50 0 CFAARO Cc1cc(C)c(C[NH2+][C@H](C)CN2CCCCC2)cn1 ZINC000584887636 348727637 /nfs/dbraw/zinc/72/76/37/348727637.db2.gz ADUHIZLLISURIZ-OAHLLOKOSA-N 1 0 261.413 2.662 50 0 CFAARO Cc1csc(C[NH2+][C@H](C)CCn2ccnc2C)n1 ZINC000584888370 348728364 /nfs/dbraw/zinc/72/83/64/348728364.db2.gz FJCZXHOYXKWXRM-SNVBAGLBSA-N 1 0 264.398 2.525 50 0 CFAARO CCN1CC[C@@H]([NH2+]C2CCN(c3cccc(C)c3)CC2)C1 ZINC000584892483 348729060 /nfs/dbraw/zinc/72/90/60/348729060.db2.gz PJJHROFPFASYBJ-QGZVFWFLSA-N 1 0 287.451 2.648 50 0 CFAARO C[C@@H](Cn1cnc2cccc(Cl)c2c1=O)[NH+]1CCCC1 ZINC000584903066 348732765 /nfs/dbraw/zinc/73/27/65/348732765.db2.gz AMTVAMYRBDWTRJ-NSHDSACASA-N 1 0 291.782 2.534 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1scnc1C)CCC2 ZINC000089702105 179848712 /nfs/dbraw/zinc/84/87/12/179848712.db2.gz HSMSBKPANSPKRL-GFCCVEGCSA-N 1 0 276.409 2.624 50 0 CFAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000089949093 179890716 /nfs/dbraw/zinc/89/07/16/179890716.db2.gz NKAPPNVSIPMVOZ-HIFRSBDPSA-N 1 0 292.448 2.875 50 0 CFAARO CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3[C@@H]([NH3+])[C@H]2C1 ZINC000091302539 180129267 /nfs/dbraw/zinc/12/92/67/180129267.db2.gz BSSUBMYYRYHUSD-MELADBBJSA-N 1 0 274.364 2.651 50 0 CFAARO CCn1c2ccccc2nc1CN1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091440573 180156902 /nfs/dbraw/zinc/15/69/02/180156902.db2.gz WAIPSXMCHIGVOX-LSDHHAIUSA-N 1 0 298.434 2.582 50 0 CFAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000091474576 180165238 /nfs/dbraw/zinc/16/52/38/180165238.db2.gz YWHWUPSISKQPBQ-QGZVFWFLSA-N 1 0 295.398 2.745 50 0 CFAARO c1ccc(C[NH+]2CCC(CNc3ccncn3)CC2)cc1 ZINC000091596067 180202539 /nfs/dbraw/zinc/20/25/39/180202539.db2.gz BKWWACUAOCXAQV-UHFFFAOYSA-N 1 0 282.391 2.801 50 0 CFAARO CCc1ccc(CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000091546321 180187071 /nfs/dbraw/zinc/18/70/71/180187071.db2.gz ZAYHDCBPOJWKJN-JKSUJKDBSA-N 1 0 286.419 2.867 50 0 CFAARO c1cn(CCCc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000091756768 180247711 /nfs/dbraw/zinc/24/77/11/180247711.db2.gz FQFIHASTKXVGCD-UHFFFAOYSA-N 1 0 299.418 2.991 50 0 CFAARO CC[C@@]1(CO)CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000091794459 180257742 /nfs/dbraw/zinc/25/77/42/180257742.db2.gz UEKWWJLKNFREMX-QGZVFWFLSA-N 1 0 292.423 2.692 50 0 CFAARO CC[C@]1(CO)CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000091794456 180257860 /nfs/dbraw/zinc/25/78/60/180257860.db2.gz UEKWWJLKNFREMX-KRWDZBQOSA-N 1 0 292.423 2.692 50 0 CFAARO COc1c(C)cnc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)c1C ZINC000091745590 180244385 /nfs/dbraw/zinc/24/43/85/180244385.db2.gz YMNACQHSHIOTON-KRWDZBQOSA-N 1 0 292.423 2.690 50 0 CFAARO O=C(C[C@@H]1CCc2ccccc21)NCC12CCC[NH+]1CCC2 ZINC000091952151 180291199 /nfs/dbraw/zinc/29/11/99/180291199.db2.gz UGCDIZRUUYRUPX-INIZCTEOSA-N 1 0 298.430 2.851 50 0 CFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H]1CC[N@H+](C)C1 ZINC000092099622 180324665 /nfs/dbraw/zinc/32/46/65/180324665.db2.gz JRLUQRPWACECHI-CQSZACIVSA-N 1 0 299.418 2.869 50 0 CFAARO C[C@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000008317347 290262831 /nfs/dbraw/zinc/26/28/31/290262831.db2.gz BRUQDECUANRDPQ-SNVBAGLBSA-N 1 0 266.772 2.598 50 0 CFAARO C[C@H](C(=O)NCc1ccco1)[N@H+](C)[C@H](C)c1ccccc1 ZINC000105870457 186081410 /nfs/dbraw/zinc/08/14/10/186081410.db2.gz BRUACDORBRZLDY-ZIAGYGMSSA-N 1 0 286.375 2.977 50 0 CFAARO CC(C)CC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000107352340 186172415 /nfs/dbraw/zinc/17/24/15/186172415.db2.gz LYLHIANYVMSYEX-KKUMJFAQSA-N 1 0 281.444 2.689 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)s1 ZINC000211269513 539914955 /nfs/dbraw/zinc/91/49/55/539914955.db2.gz RKHYJZHXIBQOFN-MMPTUQATSA-N 1 0 259.440 2.864 50 0 CFAARO CC[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(C)cn1 ZINC000222233241 539990183 /nfs/dbraw/zinc/99/01/83/539990183.db2.gz VWJVLBHVAWGCBB-OAHLLOKOSA-N 1 0 289.423 2.833 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000155480956 188209557 /nfs/dbraw/zinc/20/95/57/188209557.db2.gz GKJSEPYEWPAHMA-AWEZNQCLSA-N 1 0 257.337 2.722 50 0 CFAARO C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000158074468 188355774 /nfs/dbraw/zinc/35/57/74/188355774.db2.gz SURDROQTWMXIDT-KBXCAEBGSA-N 1 0 294.398 2.702 50 0 CFAARO CN(C)c1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)cn1 ZINC000623606757 353684050 /nfs/dbraw/zinc/68/40/50/353684050.db2.gz JNPXVWGAIXFHMP-HZPDHXFCSA-N 1 0 296.418 2.824 50 0 CFAARO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000685940245 540020848 /nfs/dbraw/zinc/02/08/48/540020848.db2.gz ADHQZZNBARODSS-CBAPKCEASA-N 1 0 296.169 2.790 50 0 CFAARO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000170605299 188675274 /nfs/dbraw/zinc/67/52/74/188675274.db2.gz BKIZVGWQZKDLIE-OAHLLOKOSA-N 1 0 276.380 2.646 50 0 CFAARO c1ccc(CO[C@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000169676300 188661945 /nfs/dbraw/zinc/66/19/45/188661945.db2.gz PTTUPMVBPBPMRO-HNNXBMFYSA-N 1 0 261.365 2.504 50 0 CFAARO Ic1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000003732253 283041219 /nfs/dbraw/zinc/04/12/19/283041219.db2.gz GOTZSBYCEAUXCK-JTQLQIEISA-N 1 0 273.117 2.716 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000630061463 354994359 /nfs/dbraw/zinc/99/43/59/354994359.db2.gz XMVJMJIRVMEINJ-JQWIXIFHSA-N 1 0 279.334 2.978 50 0 CFAARO CCC[N@@H+](CC(=O)N(C)C)CC1CCC(C)CC1 ZINC000092382525 283084734 /nfs/dbraw/zinc/08/47/34/283084734.db2.gz DIFFHAQXLMJZER-UHFFFAOYSA-N 1 0 254.418 2.613 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)o2)[C@H](CC)C1 ZINC000084736332 540207506 /nfs/dbraw/zinc/20/75/06/540207506.db2.gz RIZZRTHYLDTODB-HIFRSBDPSA-N 1 0 278.396 2.715 50 0 CFAARO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(-n2cnnn2)cc1 ZINC000090856180 540381829 /nfs/dbraw/zinc/38/18/29/540381829.db2.gz PURRTLLMGSNDGW-VXGBXAGGSA-N 1 0 271.368 2.502 50 0 CFAARO CN(Cc1ccncc1Cl)C[C@]1(C)CC[N@H+](C)C1 ZINC000823683745 781935930 /nfs/dbraw/zinc/93/59/30/781935930.db2.gz IZXZMJKSYWQPRB-CQSZACIVSA-N 1 0 267.804 2.509 50 0 CFAARO COCc1ccc(C[N@@H+]2CCC[C@@H](c3cn[nH]c3)C2)cc1 ZINC000092809713 540412249 /nfs/dbraw/zinc/41/22/49/540412249.db2.gz JSMJQTJWECPSLF-MRXNPFEDSA-N 1 0 285.391 2.936 50 0 CFAARO CC(C)=CCC[N@@H+](C)C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000823683878 781936574 /nfs/dbraw/zinc/93/65/74/781936574.db2.gz GSPNSJGKLPCVDV-AWEZNQCLSA-N 1 0 266.429 2.922 50 0 CFAARO C[C@@H](c1ccncc1)[NH+]1CCC(n2ccnc2)CC1 ZINC000169984105 540550181 /nfs/dbraw/zinc/55/01/81/540550181.db2.gz OADXKOGIJVDXRV-ZDUSSCGKSA-N 1 0 256.353 2.676 50 0 CFAARO Cc1oc(C)c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000084061192 540681429 /nfs/dbraw/zinc/68/14/29/540681429.db2.gz ILSPRXIRTYJYNS-CQSZACIVSA-N 1 0 276.380 2.515 50 0 CFAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(n2cccc2)CC1 ZINC000084789193 540685317 /nfs/dbraw/zinc/68/53/17/540685317.db2.gz NURUVKFVJUKGPW-INIZCTEOSA-N 1 0 289.423 2.526 50 0 CFAARO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCS(=O)CC1 ZINC000095940820 540726302 /nfs/dbraw/zinc/72/63/02/540726302.db2.gz DUXNJYITNHMHFN-QGXCKBJSSA-N 1 0 257.443 2.702 50 0 CFAARO CN1C[C@H]([NH2+][C@H]2CCCSc3ccccc32)CCC1=O ZINC000089374906 540717814 /nfs/dbraw/zinc/71/78/14/540717814.db2.gz QBTZOLBIOYGTKE-OCCSQVGLSA-N 1 0 290.432 2.824 50 0 CFAARO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccccc1 ZINC000089745440 540719437 /nfs/dbraw/zinc/71/94/37/540719437.db2.gz VNOXWLWWCXPODZ-HNNXBMFYSA-N 1 0 255.365 2.930 50 0 CFAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000224127897 540722489 /nfs/dbraw/zinc/72/24/89/540722489.db2.gz KPQVKDYAVRSKFE-FPMFFAJLSA-N 1 0 263.406 2.974 50 0 CFAARO Cc1cc(C)cc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 ZINC000093989993 540723279 /nfs/dbraw/zinc/72/32/79/540723279.db2.gz IQPGWOILAMMGQZ-GJZGRUSLSA-N 1 0 260.381 2.516 50 0 CFAARO CCOCc1cccc(NC(=O)[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000252484066 540745755 /nfs/dbraw/zinc/74/57/55/540745755.db2.gz FNJWJLRCEIWMIQ-WFASDCNBSA-N 1 0 276.380 2.502 50 0 CFAARO CC(C)(COCc1ccccc1)NCc1ccon1 ZINC000252494017 540749183 /nfs/dbraw/zinc/74/91/83/540749183.db2.gz NIKGAJLMBGQQJD-UHFFFAOYSA-N 1 0 260.337 2.760 50 0 CFAARO CCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178521899 189123692 /nfs/dbraw/zinc/12/36/92/189123692.db2.gz ZCYLRAPXVJVVFR-LLVKDONJSA-N 1 0 296.798 2.550 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000178517452 189123131 /nfs/dbraw/zinc/12/31/31/189123131.db2.gz BIHFZDNYJUHLIM-ZETCQYMHSA-N 1 0 291.153 2.553 50 0 CFAARO CCCOc1ccc(Cl)cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178521909 189123796 /nfs/dbraw/zinc/12/37/96/189123796.db2.gz ZCYLRAPXVJVVFR-NSHDSACASA-N 1 0 296.798 2.550 50 0 CFAARO COc1cccc(CN2CCCC[C@@]2(C)C(N)=O)c1Cl ZINC000585094331 540937950 /nfs/dbraw/zinc/93/79/50/540937950.db2.gz KWVRNXSANDUDAR-HNNXBMFYSA-N 1 0 296.798 2.579 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000299740277 200852335 /nfs/dbraw/zinc/85/23/35/200852335.db2.gz XWLPDOVOLCZLJI-JQWIXIFHSA-N 1 0 278.421 2.825 50 0 CFAARO C[N@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCCOC1 ZINC000670439154 540995252 /nfs/dbraw/zinc/99/52/52/540995252.db2.gz QGAPBDUWJKCLRY-LBPRGKRZSA-N 1 0 291.370 2.603 50 0 CFAARO Cc1cccc2c(=O)n(CC3([NH+](C)C)CCCCC3)cnc12 ZINC000670461158 541002606 /nfs/dbraw/zinc/00/26/06/541002606.db2.gz CPDYIDPPARMCFX-UHFFFAOYSA-N 1 0 299.418 2.969 50 0 CFAARO O=C1CC[C@H]([N@@H+]2CCC3(C2)CCCCCC3)CCN1 ZINC000670462325 541003701 /nfs/dbraw/zinc/00/37/01/541003701.db2.gz IVRJHFKZFVZRAP-AWEZNQCLSA-N 1 0 264.413 2.701 50 0 CFAARO CN1CC[N@H+](Cc2ccc3ccccc3c2)CCC1=O ZINC000015070362 541012609 /nfs/dbraw/zinc/01/26/09/541012609.db2.gz RMNLWURFBDCAEZ-UHFFFAOYSA-N 1 0 268.360 2.504 50 0 CFAARO CC[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccccc1F ZINC000180984708 189285637 /nfs/dbraw/zinc/28/56/37/189285637.db2.gz NGGSMGMMGQCNPX-OAHLLOKOSA-N 1 0 281.371 2.656 50 0 CFAARO CC[C@]1(C(=O)NCc2ccc(SC)cc2)CCC[NH2+]1 ZINC000184107301 189376326 /nfs/dbraw/zinc/37/63/26/189376326.db2.gz JEISSCRKOVQPFT-OAHLLOKOSA-N 1 0 278.421 2.557 50 0 CFAARO Cc1ccc(CCNc2cc(C3CC([NH3+])C3)ncn2)cc1C ZINC000222511617 189731035 /nfs/dbraw/zinc/73/10/35/189731035.db2.gz QPFYUNCQSNPGPT-UHFFFAOYSA-N 1 0 296.418 2.953 50 0 CFAARO O=C(C[NH+]1CCCC1)NCC1(c2ccccc2)CCCC1 ZINC000000209556 371559148 /nfs/dbraw/zinc/55/91/48/371559148.db2.gz LACAMUOHGHUAPI-UHFFFAOYSA-N 1 0 286.419 2.710 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000000127722 371537046 /nfs/dbraw/zinc/53/70/46/371537046.db2.gz AHLAIISGKFGMSS-JTQLQIEISA-N 1 0 262.136 2.946 50 0 CFAARO Cc1c(C[N@H+]2CCC[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000000165161 371546646 /nfs/dbraw/zinc/54/66/46/371546646.db2.gz HTCXILRWISWNFQ-AWEZNQCLSA-N 1 0 299.418 2.716 50 0 CFAARO COc1ccc(C(=O)OCC[N@H+](C)Cc2ccccc2)cc1 ZINC000000174323 371549832 /nfs/dbraw/zinc/54/98/32/371549832.db2.gz WPYZGURVLDJNNY-UHFFFAOYSA-N 1 0 299.370 2.984 50 0 CFAARO COc1ccc(NC(=O)CC[NH+]2CCCCCC2)cc1 ZINC000000176594 371550162 /nfs/dbraw/zinc/55/01/62/371550162.db2.gz XTRSJHCXHOTQMJ-UHFFFAOYSA-N 1 0 276.380 2.900 50 0 CFAARO C[n+]1cccc([C@@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000000174826 371550282 /nfs/dbraw/zinc/55/02/82/371550282.db2.gz ODWZDFSTIZZGME-KRWDZBQOSA-N 1 0 281.379 2.879 50 0 CFAARO COc1ccc(C[C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000000191928 371554793 /nfs/dbraw/zinc/55/47/93/371554793.db2.gz PANQQHGRCGEZCM-ZACQAIPSSA-N 1 0 275.392 2.521 50 0 CFAARO C[C@H](C[NH+]1CCCC1)OC(=O)c1ccccc1Cl ZINC000000210710 371559356 /nfs/dbraw/zinc/55/93/56/371559356.db2.gz BJRDJWSBYLPXMR-LLVKDONJSA-N 1 0 267.756 2.981 50 0 CFAARO CSc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000000237212 371564830 /nfs/dbraw/zinc/56/48/30/371564830.db2.gz NUFROYVMSKPINI-UHFFFAOYSA-N 1 0 264.438 2.935 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000000236551 371565175 /nfs/dbraw/zinc/56/51/75/371565175.db2.gz IJNGKRXGASMSBI-HNNXBMFYSA-N 1 0 261.365 2.770 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000000246837 371567927 /nfs/dbraw/zinc/56/79/27/371567927.db2.gz BJRJHSIVXVLLHI-AWEZNQCLSA-N 1 0 265.397 2.722 50 0 CFAARO CCCc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000000285858 371578195 /nfs/dbraw/zinc/57/81/95/371578195.db2.gz IRMUVRQYZWMAOY-CQSZACIVSA-N 1 0 265.397 2.767 50 0 CFAARO O=C(c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000000283527 371578516 /nfs/dbraw/zinc/57/85/16/371578516.db2.gz PLSWPJKHMHFEIU-UHFFFAOYSA-N 1 0 290.382 2.916 50 0 CFAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1ccccc1F ZINC000000375614 371598755 /nfs/dbraw/zinc/59/87/55/371598755.db2.gz NMMKMJYWBKFVKJ-GFCCVEGCSA-N 1 0 265.328 2.857 50 0 CFAARO Cc1ccc(OCC(=O)O[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000000787291 371649088 /nfs/dbraw/zinc/64/90/88/371649088.db2.gz TVQLHPKWVXDDCN-HNNXBMFYSA-N 1 0 291.391 2.791 50 0 CFAARO CC[C@]1(C)C[C@@](O)(CC[NH2+]Cc2ccccc2)CCO1 ZINC000001801289 371706974 /nfs/dbraw/zinc/70/69/74/371706974.db2.gz IXXDOBQTAJWJNA-IAGOWNOFSA-N 1 0 277.408 2.877 50 0 CFAARO CC(C)[N@H+](C)CCOC(=O)c1cc2ccccc2o1 ZINC000001821534 371708200 /nfs/dbraw/zinc/70/82/00/371708200.db2.gz XOHBSRKZCNUMTH-UHFFFAOYSA-N 1 0 261.321 2.930 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1ccc(Br)cc1 ZINC000001910369 371710665 /nfs/dbraw/zinc/71/06/65/371710665.db2.gz SHWWNNCBLFRRJN-UHFFFAOYSA-N 1 0 299.212 2.521 50 0 CFAARO CSCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000002169530 371719044 /nfs/dbraw/zinc/71/90/44/371719044.db2.gz CHWHUPKCZKLQIM-AWEZNQCLSA-N 1 0 274.389 2.859 50 0 in-vitro CFAARO C[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000002451856 371727436 /nfs/dbraw/zinc/72/74/36/371727436.db2.gz KKCDJKPEBVZDHO-XJKSGUPXSA-N 1 0 297.826 2.949 50 0 CFAARO CCOC(=O)CCC(=O)c1ccccc1C[NH+]1CCCC1 ZINC000002515591 371731328 /nfs/dbraw/zinc/73/13/28/371731328.db2.gz RWDMKNZAFAVZAT-UHFFFAOYSA-N 1 0 289.375 2.808 50 0 CFAARO COc1ccc(OC)c(-[n+]2c(C)cc(C)cc2C)c1 ZINC000002519824 371731780 /nfs/dbraw/zinc/73/17/80/371731780.db2.gz DMOCKYYIJPVKOM-UHFFFAOYSA-N 1 0 258.341 2.906 50 0 CFAARO c1ccc(OCC[NH2+]CCOc2ccccc2)cc1 ZINC000001587099 371684841 /nfs/dbraw/zinc/68/48/41/371684841.db2.gz RYJMXUCUDNEAOA-UHFFFAOYSA-N 1 0 257.333 2.734 50 0 CFAARO Cc1c(Cl)cccc1NC(=O)C[NH2+]CC(C)C ZINC000001672718 371694867 /nfs/dbraw/zinc/69/48/67/371694867.db2.gz GFBCTVSGPJZCAE-UHFFFAOYSA-N 1 0 254.761 2.833 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000002784697 371754321 /nfs/dbraw/zinc/75/43/21/371754321.db2.gz BAEAAVLSUZLUEP-UHFFFAOYSA-N 1 0 294.395 2.764 50 0 CFAARO COC(=O)c1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000002823604 371756740 /nfs/dbraw/zinc/75/67/40/371756740.db2.gz KESHTUNMCPTTJY-AWEZNQCLSA-N 1 0 291.391 2.974 50 0 CFAARO Cc1ccc(OCCOCC[NH+](C)C)c(Cl)c1 ZINC000002822176 371757731 /nfs/dbraw/zinc/75/77/31/371757731.db2.gz GPIQFBCNVRJQTB-UHFFFAOYSA-N 1 0 257.761 2.605 50 0 CFAARO C[NH+]1CCC(OC(=O)c2ccc(Br)cc2)CC1 ZINC000002836790 371759222 /nfs/dbraw/zinc/75/92/22/371759222.db2.gz ISMYNYDNYPBBDJ-UHFFFAOYSA-N 1 0 298.180 2.700 50 0 CFAARO c1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000002897880 371762559 /nfs/dbraw/zinc/76/25/59/371762559.db2.gz LNUIQALPIMYUQG-UHFFFAOYSA-N 1 0 255.317 2.748 50 0 CFAARO COCC[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000002933249 371765330 /nfs/dbraw/zinc/76/53/30/371765330.db2.gz OESOTKQZLLLDEM-UHFFFAOYSA-N 1 0 251.370 2.599 50 0 CFAARO CCCC[NH2+]CCOCCOc1ccc(F)cc1 ZINC000002981147 371766607 /nfs/dbraw/zinc/76/66/07/371766607.db2.gz LGBHWBHZYZRPRY-UHFFFAOYSA-N 1 0 255.333 2.611 50 0 CFAARO c1ccc(C[NH2+]CCOCCOc2ccccc2)cc1 ZINC000003002045 371768324 /nfs/dbraw/zinc/76/83/24/371768324.db2.gz ZRLMXVZVNJDFQC-UHFFFAOYSA-N 1 0 271.360 2.872 50 0 CFAARO CC[C@@H](C)c1ccc(OCCC[NH2+]CCO)cc1 ZINC000003001330 371768492 /nfs/dbraw/zinc/76/84/92/371768492.db2.gz NVXJENXDBMOUDB-CYBMUJFWSA-N 1 0 251.370 2.551 50 0 CFAARO CCCCCC[NH2+]CC(=O)NCC1CCCCC1 ZINC000003288266 371786953 /nfs/dbraw/zinc/78/69/53/371786953.db2.gz CIMRLFDAXMVNEH-UHFFFAOYSA-N 1 0 254.418 2.853 50 0 CFAARO CCOC(=O)N1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000003683715 371816137 /nfs/dbraw/zinc/81/61/37/371816137.db2.gz IUCYSGPKKKQQBB-HNNXBMFYSA-N 1 0 290.407 2.782 50 0 CFAARO COc1ccc2cc(C(=O)CC[NH+](C)C)ccc2c1 ZINC000003846813 371821039 /nfs/dbraw/zinc/82/10/39/371821039.db2.gz UTXOQLPFCFEHCO-UHFFFAOYSA-N 1 0 257.333 2.983 50 0 CFAARO CC[N@H+](CCO)Cc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000004340564 371850710 /nfs/dbraw/zinc/85/07/10/371850710.db2.gz WLHIQLUULSUIFF-UHFFFAOYSA-N 1 0 295.766 2.569 50 0 CFAARO O=c1cc(C[NH+]2CCCCCC2)c2cc(O)ccc2o1 ZINC000004340577 371851172 /nfs/dbraw/zinc/85/11/72/371851172.db2.gz SUQXKKAJNUDGJV-UHFFFAOYSA-N 1 0 273.332 2.875 50 0 CFAARO COc1ccc(-c2noc(C[NH2+]C(C)(C)C)n2)cc1 ZINC000004487201 371859659 /nfs/dbraw/zinc/85/96/59/371859659.db2.gz HZFZDMWAIJWOSE-UHFFFAOYSA-N 1 0 261.325 2.633 50 0 CFAARO CCCCN(Cc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000004602659 371868014 /nfs/dbraw/zinc/86/80/14/371868014.db2.gz OTASJMCVGCQHSR-UHFFFAOYSA-N 1 0 274.408 2.815 50 0 CFAARO COc1cc(C(C)=O)ccc1OCC[NH2+]Cc1ccco1 ZINC000004870250 371875953 /nfs/dbraw/zinc/87/59/53/371875953.db2.gz KEJUROHOAZOYKA-UHFFFAOYSA-N 1 0 289.331 2.659 50 0 CFAARO c1ccc(-c2nc(N3CC[NH2+]CC3)nc3ccccc32)cc1 ZINC000004935367 371877554 /nfs/dbraw/zinc/87/75/54/371877554.db2.gz GXOIDTTXZUMBPM-UHFFFAOYSA-N 1 0 290.370 2.706 50 0 CFAARO C/C=C(\C)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000004980281 371878234 /nfs/dbraw/zinc/87/82/34/371878234.db2.gz OGNYXPSJTLRBHU-LNKIKWGQSA-N 1 0 260.381 2.783 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005442175 371883115 /nfs/dbraw/zinc/88/31/15/371883115.db2.gz HHDMTWMQSWWWQI-YYUOFMGYSA-N 1 0 281.440 2.578 50 0 CFAARO CC(C)CCSc1nnc(C2CC[NH2+]CC2)o1 ZINC000011903947 371935758 /nfs/dbraw/zinc/93/57/58/371935758.db2.gz ALEJLLJJMDDEEQ-UHFFFAOYSA-N 1 0 255.387 2.675 50 0 CFAARO CCC(CC)[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000006508846 371891213 /nfs/dbraw/zinc/89/12/13/371891213.db2.gz JXZIJZZOGIEQGZ-UHFFFAOYSA-N 1 0 264.369 2.720 50 0 CFAARO O=C(NC1CCCCCC1)c1csc2c1CC[NH2+]C2 ZINC000006747716 371893502 /nfs/dbraw/zinc/89/35/02/371893502.db2.gz MCZYMVYCKBCWHS-UHFFFAOYSA-N 1 0 278.421 2.846 50 0 CFAARO COc1ccc(C2(C[NH3+])Cc3ccccc3C2)cc1OC ZINC000011834010 371929553 /nfs/dbraw/zinc/92/95/53/371929553.db2.gz LQNUSVBAROQMMP-UHFFFAOYSA-N 1 0 283.371 2.699 50 0 CFAARO C[N@H+](CCOc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000012820248 371989162 /nfs/dbraw/zinc/98/91/62/371989162.db2.gz XMDYPTFKPKDDCU-UHFFFAOYSA-N 1 0 285.343 2.926 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000012139859 371946395 /nfs/dbraw/zinc/94/63/95/371946395.db2.gz CRZVQVZEELAJAD-WMLDXEAASA-N 1 0 289.419 2.789 50 0 CFAARO COc1ccccc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000012223535 371947460 /nfs/dbraw/zinc/94/74/60/371947460.db2.gz DLHFUVPVQJMNGP-ZDUSSCGKSA-N 1 0 291.395 2.691 50 0 CFAARO CC1(C)CC(NC(=O)c2ccsc2)CC(C)(C)[NH2+]1 ZINC000012274850 371950893 /nfs/dbraw/zinc/95/08/93/371950893.db2.gz RPWYUZSAEIEQFA-UHFFFAOYSA-N 1 0 266.410 2.787 50 0 CFAARO O[C@@H](C[NH2+]C1CCCCC1)COC1CCCCC1 ZINC000012343519 371952891 /nfs/dbraw/zinc/95/28/91/371952891.db2.gz YLFUIAUWANZBGV-AWEZNQCLSA-N 1 0 255.402 2.619 50 0 CFAARO FC(F)(F)Oc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000012359744 371955817 /nfs/dbraw/zinc/95/58/17/371955817.db2.gz RPQOTFPZKNHYFB-UHFFFAOYSA-N 1 0 261.243 2.716 50 0 CFAARO CCOc1cccc(C[NH2+]CCCOC(C)C)c1 ZINC000013718053 372042692 /nfs/dbraw/zinc/04/26/92/372042692.db2.gz YHOQZNUNKANGPV-UHFFFAOYSA-N 1 0 251.370 2.990 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+]CCCOC ZINC000013718013 372043401 /nfs/dbraw/zinc/04/34/01/372043401.db2.gz ZHPSBTMCARJUQH-UHFFFAOYSA-N 1 0 257.761 2.865 50 0 CFAARO CCOc1ccc(C[NH2+]CCCCCO)cc1OCC ZINC000013727088 372044486 /nfs/dbraw/zinc/04/44/86/372044486.db2.gz UDZBOKTZYDJHRB-UHFFFAOYSA-N 1 0 281.396 2.736 50 0 CFAARO COc1ccc(C[NH2+]CCCOC(C)C)c(OC)c1OC ZINC000013721880 372044557 /nfs/dbraw/zinc/04/45/57/372044557.db2.gz REPLQGXUQNNGLG-UHFFFAOYSA-N 1 0 297.395 2.617 50 0 CFAARO Cc1cc(C)c(C[NH2+]CCc2nnc3ccccn32)cc1C ZINC000014095926 372058942 /nfs/dbraw/zinc/05/89/42/372058942.db2.gz RLKGBSGXIRWEGQ-UHFFFAOYSA-N 1 0 294.402 2.987 50 0 CFAARO CC[NH+]1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000016603555 372113401 /nfs/dbraw/zinc/11/34/01/372113401.db2.gz FTASNJQJRMVAKU-UHFFFAOYSA-N 1 0 252.402 2.557 50 0 CFAARO Brc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631233 372072152 /nfs/dbraw/zinc/07/21/52/372072152.db2.gz RJUUKZZAUARTNN-SNVBAGLBSA-N 1 0 270.170 2.828 50 0 CFAARO c1cnn(CCC[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000015071212 372078273 /nfs/dbraw/zinc/07/82/73/372078273.db2.gz VPKKREYOYBSJGW-QGZVFWFLSA-N 1 0 284.407 2.850 50 0 CFAARO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)NCc1ccco1 ZINC000015371995 372084049 /nfs/dbraw/zinc/08/40/49/372084049.db2.gz YNFBSOUTVZEYAX-ZDUSSCGKSA-N 1 0 272.348 2.589 50 0 CFAARO COc1ccc([C@@H]([NH3+])c2ccc(OC)cc2OC)cc1 ZINC000019415168 372161185 /nfs/dbraw/zinc/16/11/85/372161185.db2.gz BLECVMLKEBWWJQ-MRXNPFEDSA-N 1 0 273.332 2.761 50 0 CFAARO CC[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019536847 372173821 /nfs/dbraw/zinc/17/38/21/372173821.db2.gz KBTDIEBBNRENFE-UHFFFAOYSA-N 1 0 272.314 2.843 50 0 CFAARO C[N@@H+]1CCCN(Cc2c(F)cccc2Cl)CC1 ZINC000019634888 372177685 /nfs/dbraw/zinc/17/76/85/372177685.db2.gz IZGHHAYGVFCRFW-UHFFFAOYSA-N 1 0 256.752 2.617 50 0 CFAARO Cn1c(SCc2ccccc2)nnc1C1CC[NH2+]CC1 ZINC000020872183 372241664 /nfs/dbraw/zinc/24/16/64/372241664.db2.gz BLANWKOWKNXZGS-UHFFFAOYSA-N 1 0 288.420 2.574 50 0 CFAARO FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963454 372215932 /nfs/dbraw/zinc/21/59/32/372215932.db2.gz FQKPHIWEYGYNHP-LBPRGKRZSA-N 1 0 259.271 2.974 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020090622 372227943 /nfs/dbraw/zinc/22/79/43/372227943.db2.gz MNUKUDDURBLEPI-SNVBAGLBSA-N 1 0 285.322 2.846 50 0 CFAARO CN1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000020118160 372232800 /nfs/dbraw/zinc/23/28/00/372232800.db2.gz VKNVEUHGXGBQFY-UHFFFAOYSA-N 1 0 270.829 2.680 50 0 CFAARO CC(C)COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019737897 372183754 /nfs/dbraw/zinc/18/37/54/372183754.db2.gz CFYOZGMJQHGDCG-INIZCTEOSA-N 1 0 263.381 2.990 50 0 CFAARO Cc1nc(CC[N@@H+](C)Cc2[nH]nc3c2CCCC3)cs1 ZINC000019774487 372186483 /nfs/dbraw/zinc/18/64/83/372186483.db2.gz FJBHXBDDPRIXGU-UHFFFAOYSA-N 1 0 290.436 2.728 50 0 CFAARO c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2[nH]nc3c2CCC3)cn1 ZINC000019792496 372187493 /nfs/dbraw/zinc/18/74/93/372187493.db2.gz HLAANPUVHKRVHS-AWEZNQCLSA-N 1 0 299.422 2.540 50 0 CFAARO c1cc(CN2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000019832228 372191780 /nfs/dbraw/zinc/19/17/80/372191780.db2.gz AVPMMURQRJGMQX-UHFFFAOYSA-N 1 0 259.397 2.532 50 0 CFAARO C[C@@H]1C[NH+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000019841526 372197563 /nfs/dbraw/zinc/19/75/63/372197563.db2.gz VZXVISRXDAIVJZ-VXGBXAGGSA-N 1 0 296.798 2.778 50 0 CFAARO CCc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000019842370 372198238 /nfs/dbraw/zinc/19/82/38/372198238.db2.gz FSYLIZDJMFTIOM-UHFFFAOYSA-N 1 0 295.430 2.962 50 0 CFAARO CC(C)(O)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000019850786 372200184 /nfs/dbraw/zinc/20/01/84/372200184.db2.gz WKKUKNVWRQGCKC-UHFFFAOYSA-N 1 0 281.371 2.687 50 0 CFAARO NC(=O)c1ccc(C[N@H+](Cc2ccccc2)C2CC2)cc1 ZINC000025222057 372291831 /nfs/dbraw/zinc/29/18/31/372291831.db2.gz KLDIOAORQXVFCV-UHFFFAOYSA-N 1 0 280.371 2.950 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OC ZINC000022936498 372247783 /nfs/dbraw/zinc/24/77/83/372247783.db2.gz REMSDNMEXZJTNR-CQSZACIVSA-N 1 0 282.815 2.923 50 0 CFAARO CC(C)c1ccc(OC/C=C/CN2CC[NH2+]CC2)cc1 ZINC000022916936 372248251 /nfs/dbraw/zinc/24/82/51/372248251.db2.gz AZSOMNSKVSGRKD-ONEGZZNKSA-N 1 0 274.408 2.650 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000022935942 372248742 /nfs/dbraw/zinc/24/87/42/372248742.db2.gz LHLIZBJUZOKQEE-AWEZNQCLSA-N 1 0 252.789 2.914 50 0 CFAARO Cc1noc(C(C)C)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000022989620 372250328 /nfs/dbraw/zinc/25/03/28/372250328.db2.gz NNACQQGVHDIIQO-UHFFFAOYSA-N 1 0 293.411 2.709 50 0 CFAARO C[C@@H](CNC(=O)C[C@H]1C=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025941173 372311047 /nfs/dbraw/zinc/31/10/47/372311047.db2.gz DBAXTLJCTUOZDF-HOTGVXAUSA-N 1 0 298.430 2.906 50 0 CFAARO CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027584776 372343116 /nfs/dbraw/zinc/34/31/16/372343116.db2.gz KFGWFVSRWWEFHJ-GFCCVEGCSA-N 1 0 266.410 2.801 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC=CCC1)c1cccs1 ZINC000027675780 372347102 /nfs/dbraw/zinc/34/71/02/372347102.db2.gz CBGHWRNZZMXOAP-STQMWFEESA-N 1 0 278.421 2.823 50 0 CFAARO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000029489001 372381630 /nfs/dbraw/zinc/38/16/30/372381630.db2.gz AWAANEFIVJAPKU-QGZVFWFLSA-N 1 0 280.371 2.905 50 0 CFAARO c1ccc2c(c1)ncnc2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000029588935 372382704 /nfs/dbraw/zinc/38/27/04/372382704.db2.gz DQCNXVRSFPCBAE-LBPRGKRZSA-N 1 0 268.364 2.526 50 0 CFAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000029838608 372387396 /nfs/dbraw/zinc/38/73/96/372387396.db2.gz XNLWPTBTDBQWEN-UHFFFAOYSA-N 1 0 294.398 2.865 50 0 CFAARO CC[C@@H]1CCC[N@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000030142791 372391188 /nfs/dbraw/zinc/39/11/88/372391188.db2.gz YOWAFMVDCAWCLV-GFCCVEGCSA-N 1 0 291.420 2.686 50 0 CFAARO O=C(NCCc1[nH+]cc2ccccn21)Nc1ccccc1 ZINC000031773128 372417257 /nfs/dbraw/zinc/41/72/57/372417257.db2.gz OORXDCMLYKAPBC-UHFFFAOYSA-N 1 0 280.331 2.699 50 0 CFAARO NC(=O)NC[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000032935677 372479761 /nfs/dbraw/zinc/47/97/61/372479761.db2.gz UGVXQAOAESXCAF-CQSZACIVSA-N 1 0 297.402 2.720 50 0 CFAARO [NH3+]CCC(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000032127222 372430777 /nfs/dbraw/zinc/43/07/77/372430777.db2.gz OZDDIXJWAAUYAZ-UHFFFAOYSA-N 1 0 280.799 2.960 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+]C2CCSCC2)c(C)c1 ZINC000032541276 372444091 /nfs/dbraw/zinc/44/40/91/372444091.db2.gz UAOOHDRDWBCARQ-OAHLLOKOSA-N 1 0 295.448 2.528 50 0 CFAARO O[C@H](COc1ccccc1-c1cccnc1)C[NH+]1CCCC1 ZINC000032580896 372446142 /nfs/dbraw/zinc/44/61/42/372446142.db2.gz XFNUKSJMJHWDKL-INIZCTEOSA-N 1 0 298.386 2.584 50 0 CFAARO COc1ccc(C)cc1NC(=O)C[N@H+](C(C)C)C1CC1 ZINC000032777884 372462160 /nfs/dbraw/zinc/46/21/60/372462160.db2.gz WIGVLOABUBBLMZ-UHFFFAOYSA-N 1 0 276.380 2.815 50 0 CFAARO c1ccc2c(c1)ncnc2N1CC[NH+](C2CCCC2)CC1 ZINC000032779328 372462466 /nfs/dbraw/zinc/46/24/66/372462466.db2.gz SDYJUASJEOPULH-UHFFFAOYSA-N 1 0 282.391 2.694 50 0 CFAARO c1cnc(NCc2ccccc2C[NH+]2CCCC2)nc1 ZINC000032808516 372464604 /nfs/dbraw/zinc/46/46/04/372464604.db2.gz XONDXPMTRRWGSC-UHFFFAOYSA-N 1 0 268.364 2.685 50 0 CFAARO C[C@@H](C1CC1)[N@H+](CC(=O)N1CCc2ccccc21)C1CC1 ZINC000032814805 372464790 /nfs/dbraw/zinc/46/47/90/372464790.db2.gz XREDQRALSWVAPN-ZDUSSCGKSA-N 1 0 284.403 2.839 50 0 CFAARO Cc1cc(-c2cncc(CN3CC[NH+](C)CC3)c2)ccc1F ZINC000034669457 372512398 /nfs/dbraw/zinc/51/23/98/372512398.db2.gz ZYPBXIZJHBZFCU-UHFFFAOYSA-N 1 0 299.393 2.944 50 0 CFAARO COc1ccc(C[NH2+]C2CC2)cc1OCc1ccncc1 ZINC000034817565 372514307 /nfs/dbraw/zinc/51/43/07/372514307.db2.gz PZLMYNGAFIXLFE-UHFFFAOYSA-N 1 0 284.359 2.921 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)C(=O)NCc1ccco1 ZINC000035973993 372554475 /nfs/dbraw/zinc/55/44/75/372554475.db2.gz BRUACDORBRZLDY-KGLIPLIRSA-N 1 0 286.375 2.977 50 0 CFAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)C(C)C ZINC000036097226 372558155 /nfs/dbraw/zinc/55/81/55/372558155.db2.gz YHBCEXKVIIQXHW-HNNXBMFYSA-N 1 0 295.423 2.933 50 0 CFAARO Cc1ccc(C[N@@H+](C[C@H](O)COCC(C)C)C(C)C)o1 ZINC000036097715 372559105 /nfs/dbraw/zinc/55/91/05/372559105.db2.gz XGMJGROMQXELBE-HNNXBMFYSA-N 1 0 283.412 2.832 50 0 CFAARO COc1ccc([C@H](C)[NH2+]C2CCOCC2)cc1OC ZINC000036319514 372571732 /nfs/dbraw/zinc/57/17/32/372571732.db2.gz BOWWHNSJQQYHAM-NSHDSACASA-N 1 0 265.353 2.533 50 0 CFAARO CCCC[C@@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766383 372702193 /nfs/dbraw/zinc/70/21/93/372702193.db2.gz LOTUEVOINOULMC-OAHLLOKOSA-N 1 0 275.396 2.743 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000037862329 372728237 /nfs/dbraw/zinc/72/82/37/372728237.db2.gz ATQNOZFAUMHVFC-INIZCTEOSA-N 1 0 275.323 2.658 50 0 CFAARO COCC[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038001597 372759157 /nfs/dbraw/zinc/75/91/57/372759157.db2.gz OOGFOQUPBQXTOF-ZETCQYMHSA-N 1 0 264.188 2.808 50 0 CFAARO COc1ccc([C@@H]([NH2+]Cc2c[nH]nc2C)C2CC2)cc1 ZINC000038011489 372763049 /nfs/dbraw/zinc/76/30/49/372763049.db2.gz WRHAYSHMOGZRRB-INIZCTEOSA-N 1 0 271.364 2.968 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CCC2)C1 ZINC000039325928 372777752 /nfs/dbraw/zinc/77/77/52/372777752.db2.gz ATHQFNPWOLJWBO-LBPRGKRZSA-N 1 0 254.374 2.528 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccccc1F ZINC000040267441 372782473 /nfs/dbraw/zinc/78/24/73/372782473.db2.gz ZECYVONKCZAGLN-RDJZCZTQSA-N 1 0 282.318 2.750 50 0 CFAARO OCCCNc1nc(Nc2cc[nH+]cc2)nc2ccccc21 ZINC000041150303 372818933 /nfs/dbraw/zinc/81/89/33/372818933.db2.gz OAMGBJDNJXZFDY-UHFFFAOYSA-N 1 0 295.346 2.563 50 0 CFAARO Brc1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000042773895 372954775 /nfs/dbraw/zinc/95/47/75/372954775.db2.gz MDVGTMKIMIOJOK-NSHDSACASA-N 1 0 270.170 2.575 50 0 CFAARO COc1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774340 372954810 /nfs/dbraw/zinc/95/48/10/372954810.db2.gz NYRILRLWLTZQQR-SNVBAGLBSA-N 1 0 286.169 2.589 50 0 CFAARO Fc1cc(F)cc(COCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042774009 372954890 /nfs/dbraw/zinc/95/48/90/372954890.db2.gz NBQLFYSSSQYYBN-NSHDSACASA-N 1 0 255.308 2.871 50 0 CFAARO O=C(N[C@H]1CCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000048283669 373158685 /nfs/dbraw/zinc/15/86/85/373158685.db2.gz SSGPKZNKRYXDDM-KRWDZBQOSA-N 1 0 299.418 2.600 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000049479572 373301117 /nfs/dbraw/zinc/30/11/17/373301117.db2.gz RRMZPRHKXOIPOT-CYBMUJFWSA-N 1 0 278.371 2.676 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000049479579 373303414 /nfs/dbraw/zinc/30/34/14/373303414.db2.gz HLPXFEJYZKIFAL-LBPRGKRZSA-N 1 0 266.410 2.598 50 0 CFAARO CN(CC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000049592562 373313111 /nfs/dbraw/zinc/31/31/11/373313111.db2.gz RCBAMLARYBKJCA-UHFFFAOYSA-N 1 0 254.377 2.908 50 0 CFAARO Brc1cccc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000049595686 373313541 /nfs/dbraw/zinc/31/35/41/373313541.db2.gz GHXPOLFJZJOOPQ-UHFFFAOYSA-N 1 0 295.224 2.729 50 0 CFAARO OC1CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000051590120 373400584 /nfs/dbraw/zinc/40/05/84/373400584.db2.gz RWIHLGBRGXLSOI-UHFFFAOYSA-N 1 0 276.767 2.845 50 0 CFAARO C[NH+](C)[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000052537218 373444656 /nfs/dbraw/zinc/44/46/56/373444656.db2.gz SPNXGUBXLSESPP-LBPRGKRZSA-N 1 0 269.186 2.589 50 0 CFAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc2c1C ZINC000052641235 373448274 /nfs/dbraw/zinc/44/82/74/373448274.db2.gz XHNIHJYIEGAVCE-GFCCVEGCSA-N 1 0 299.418 2.999 50 0 CFAARO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000052861385 373454585 /nfs/dbraw/zinc/45/45/85/373454585.db2.gz MTOCDDHHCDUNDF-CYBMUJFWSA-N 1 0 275.327 2.897 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccn2)C1 ZINC000054226565 373506583 /nfs/dbraw/zinc/50/65/83/373506583.db2.gz SKEQQMGQGOCORZ-HOCLYGCPSA-N 1 0 295.386 2.647 50 0 CFAARO COc1ccc2ccccc2c1CNCCC[NH+](C)C ZINC000057263071 373583385 /nfs/dbraw/zinc/58/33/85/373583385.db2.gz QBRDHEYFGJFQHJ-UHFFFAOYSA-N 1 0 272.392 2.890 50 0 CFAARO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000057292122 373586051 /nfs/dbraw/zinc/58/60/51/373586051.db2.gz AQGDYWRAIRYPQT-INIZCTEOSA-N 1 0 272.392 2.882 50 0 CFAARO Clc1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000055292513 373546771 /nfs/dbraw/zinc/54/67/71/373546771.db2.gz VNXLJDWQUFOKTM-CQSZACIVSA-N 1 0 282.840 2.968 50 0 CFAARO Cc1noc(C)c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000055378843 373549468 /nfs/dbraw/zinc/54/94/68/373549468.db2.gz JZQLZUFIRQHLFD-UHFFFAOYSA-N 1 0 299.418 2.652 50 0 CFAARO CC[C@@H](CO)[N@H+](Cc1[nH]cnc1C)Cc1ccccc1C ZINC000055412978 373551570 /nfs/dbraw/zinc/55/15/70/373551570.db2.gz HJIPCIVFAUVIKE-INIZCTEOSA-N 1 0 287.407 2.800 50 0 CFAARO COc1ccc(C)c2sc(NCC[NH+](C)C)nc21 ZINC000056900940 373573993 /nfs/dbraw/zinc/57/39/93/373573993.db2.gz DZNNYUZTYCNPGC-UHFFFAOYSA-N 1 0 265.382 2.587 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000058061250 373624519 /nfs/dbraw/zinc/62/45/19/373624519.db2.gz HAWAXXLQJHYCCT-AWEZNQCLSA-N 1 0 299.418 2.557 50 0 CFAARO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000058157461 373627410 /nfs/dbraw/zinc/62/74/10/373627410.db2.gz YQPJNDLQNTVWNR-KRWDZBQOSA-N 1 0 282.387 2.589 50 0 CFAARO CCO[C@H](C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000058175484 373628964 /nfs/dbraw/zinc/62/89/64/373628964.db2.gz AYUGPVQDRKZHID-CQSZACIVSA-N 1 0 292.423 2.570 50 0 CFAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCCC1)c1ccco1 ZINC000058172585 373630145 /nfs/dbraw/zinc/63/01/45/373630145.db2.gz YSMIMPPHYBSAKT-AWEZNQCLSA-N 1 0 278.396 2.969 50 0 CFAARO COc1ccc(CC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000058267382 373639046 /nfs/dbraw/zinc/63/90/46/373639046.db2.gz KFYDLOPDOHARAV-UHFFFAOYSA-N 1 0 285.391 2.840 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3n2C)C1 ZINC000058343963 373647927 /nfs/dbraw/zinc/64/79/27/373647927.db2.gz IENFSTNEYKNHMP-AWEZNQCLSA-N 1 0 299.418 2.638 50 0 CFAARO COc1c(C[NH2+]Cc2cc3ccccc3[nH]2)c(C)nn1C ZINC000058341904 373648904 /nfs/dbraw/zinc/64/89/04/373648904.db2.gz WFWSFDYGORRCOE-UHFFFAOYSA-N 1 0 284.363 2.508 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000058402842 373654276 /nfs/dbraw/zinc/65/42/76/373654276.db2.gz BUJJGJLCFYHTBE-UHFFFAOYSA-N 1 0 282.334 2.569 50 0 CFAARO CN(CCc1ccc(F)cc1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000057597088 373601147 /nfs/dbraw/zinc/60/11/47/373601147.db2.gz CCJLIBXYUKCYIR-MRXNPFEDSA-N 1 0 286.350 2.527 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1sc(C(C)(C)C)nc1C ZINC000061620346 373720286 /nfs/dbraw/zinc/72/02/86/373720286.db2.gz SZDFXSUAAUNDOF-UHFFFAOYSA-N 1 0 297.468 2.821 50 0 CFAARO c1ccc(CN2CCOCC2)c(C[NH2+]C2CCCC2)c1 ZINC000061030477 373711956 /nfs/dbraw/zinc/71/19/56/373711956.db2.gz VTKKVTDLNUKKKP-UHFFFAOYSA-N 1 0 274.408 2.551 50 0 CFAARO Fc1ccccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000060099764 373688693 /nfs/dbraw/zinc/68/86/93/373688693.db2.gz VOEWVYSXIBUAML-UHFFFAOYSA-N 1 0 291.395 2.995 50 0 CFAARO OCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000062350375 373758995 /nfs/dbraw/zinc/75/89/95/373758995.db2.gz FKACIXYDVJEAQW-CABCVRRESA-N 1 0 283.799 2.610 50 0 CFAARO Cc1cc(CN(CC[NH+](C)C)Cc2sccc2C)[nH]n1 ZINC000063847861 373817402 /nfs/dbraw/zinc/81/74/02/373817402.db2.gz OZRUVAVMNJSJSX-UHFFFAOYSA-N 1 0 292.452 2.652 50 0 CFAARO Cc1nc(C2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000064543326 373826901 /nfs/dbraw/zinc/82/69/01/373826901.db2.gz GHTXWTJOTDVHDE-UHFFFAOYSA-N 1 0 275.327 2.897 50 0 CFAARO CCCc1nc(C)c(C[NH2+][C@H]2CCSC2)s1 ZINC000065531401 373883980 /nfs/dbraw/zinc/88/39/80/373883980.db2.gz NOZMNPSSXKORHI-JTQLQIEISA-N 1 0 256.440 2.999 50 0 CFAARO CCCc1nc(C)c(C[NH2+][C@@H]2CCSC2)s1 ZINC000065531398 373885312 /nfs/dbraw/zinc/88/53/12/373885312.db2.gz NOZMNPSSXKORHI-SNVBAGLBSA-N 1 0 256.440 2.999 50 0 CFAARO CC[N@H+](CCn1cccn1)Cc1ccnc2ccccc12 ZINC000065372674 373859489 /nfs/dbraw/zinc/85/94/89/373859489.db2.gz BGYGJRKSRDQKEC-UHFFFAOYSA-N 1 0 280.375 2.953 50 0 CFAARO CC(C)[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000065374902 373861913 /nfs/dbraw/zinc/86/19/13/373861913.db2.gz OKRHBWYYXXCNDY-FSNWXROXSA-N 1 0 272.392 2.689 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCc1nnc(Cc2ccccc2)[nH]1 ZINC000065385671 373863683 /nfs/dbraw/zinc/86/36/83/373863683.db2.gz CSTGLBZFMICJDW-OAHLLOKOSA-N 1 0 284.407 2.812 50 0 CFAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1[C@@H]1CCCO1 ZINC000065395189 373863748 /nfs/dbraw/zinc/86/37/48/373863748.db2.gz KJCMRGCMXULAKT-ZDUSSCGKSA-N 1 0 272.352 2.946 50 0 CFAARO COc1ccc(-c2ccc(C[NH+]3CCCC3)cn2)cn1 ZINC000065404580 373865762 /nfs/dbraw/zinc/86/57/62/373865762.db2.gz SUPHMVQUINWJFI-UHFFFAOYSA-N 1 0 269.348 2.748 50 0 CFAARO Cc1cc(NCC2CCOCC2)nc(N2CCCCC2)[nH+]1 ZINC000065396649 373866825 /nfs/dbraw/zinc/86/68/25/373866825.db2.gz KBSVNDLGHRSWHU-UHFFFAOYSA-N 1 0 290.411 2.614 50 0 CFAARO Cc1nc[nH]c1C[N@@H+](C)Cc1cccc2ncccc12 ZINC000065407175 373868925 /nfs/dbraw/zinc/86/89/25/373868925.db2.gz YQAIEPOSLYCEFJ-UHFFFAOYSA-N 1 0 266.348 2.898 50 0 CFAARO C[C@@H]([NH2+]C1CCSCC1)c1ccc(-n2cncn2)cc1 ZINC000065429140 373870583 /nfs/dbraw/zinc/87/05/83/373870583.db2.gz FKQANQAVTGUGGO-GFCCVEGCSA-N 1 0 288.420 2.814 50 0 CFAARO CC(C)[N@@H+](Cc1cc2ccccc2o1)C[C@H]1CCC(=O)N1 ZINC000065425903 373871334 /nfs/dbraw/zinc/87/13/34/373871334.db2.gz RWIIFUSYWAUMPZ-CQSZACIVSA-N 1 0 286.375 2.922 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccco1 ZINC000066405518 373930228 /nfs/dbraw/zinc/93/02/28/373930228.db2.gz DOENIXQLBWKQEH-STQMWFEESA-N 1 0 264.369 2.721 50 0 CFAARO C[N@@H+]1CCC[C@H](c2nncn2-c2ccccc2Cl)C1 ZINC000067741777 373996555 /nfs/dbraw/zinc/99/65/55/373996555.db2.gz XIMDBASYKJBACP-NSHDSACASA-N 1 0 276.771 2.730 50 0 CFAARO Cc1cccnc1C[C@@H](C)[NH2+]C1CCSCC1 ZINC000067774359 374000963 /nfs/dbraw/zinc/00/09/63/374000963.db2.gz CVRRHZJGVVAEHX-GFCCVEGCSA-N 1 0 250.411 2.806 50 0 CFAARO C[NH+]1CCC(Cc2noc(C[C@@H]3C[C@@H]4C=C[C@H]3C4)n2)CC1 ZINC000067817326 374004622 /nfs/dbraw/zinc/00/46/22/374004622.db2.gz SAXXGIJGWSNQIB-ILXRZTDVSA-N 1 0 287.407 2.709 50 0 CFAARO C[C@@]1(O)CC[N@H+](Cc2ccncc2)C[C@@H]1Cc1ccccc1 ZINC000067833383 374006668 /nfs/dbraw/zinc/00/66/68/374006668.db2.gz WBZHWNSKYKDDGM-RBUKOAKNSA-N 1 0 296.414 2.897 50 0 CFAARO Cc1ccc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)s1 ZINC000067834167 374006929 /nfs/dbraw/zinc/00/69/29/374006929.db2.gz UPGFEIXZQFXLMG-CYBMUJFWSA-N 1 0 250.411 2.773 50 0 CFAARO Cc1cc2c(c(-c3ccc(C)nc3C)c1)O[C@H](C[NH3+])C2 ZINC000067842199 374006951 /nfs/dbraw/zinc/00/69/51/374006951.db2.gz PMHKIGMZWZJHPV-AWEZNQCLSA-N 1 0 268.360 2.936 50 0 CFAARO [NH3+]CCc1cc(N2CCC[C@H](c3ccccc3)CC2)ncn1 ZINC000067852245 374009318 /nfs/dbraw/zinc/00/93/18/374009318.db2.gz PQBZCWQFMAPDKC-INIZCTEOSA-N 1 0 296.418 2.752 50 0 CFAARO CN(CCC1=CC[N@H+](C)CC1)C(=O)CCc1ccccc1 ZINC000067884601 374012141 /nfs/dbraw/zinc/01/21/41/374012141.db2.gz BLVXUKXGGGJGAM-UHFFFAOYSA-N 1 0 286.419 2.730 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCNc1cccnc1)CC2 ZINC000067880051 374013958 /nfs/dbraw/zinc/01/39/58/374013958.db2.gz ZFGWKXLKKHYKTE-INIZCTEOSA-N 1 0 297.402 2.649 50 0 CFAARO CC[NH+](CC)C[C@H](C)NCc1ccc2nsnc2c1 ZINC000067458978 373978483 /nfs/dbraw/zinc/97/84/83/373978483.db2.gz LMDQXJSAZWYPAX-NSHDSACASA-N 1 0 278.425 2.511 50 0 CFAARO CCc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](CC)C2)nc1 ZINC000067542249 373983728 /nfs/dbraw/zinc/98/37/28/373983728.db2.gz BEGBHSSIHWNHRX-GOEBONIOSA-N 1 0 262.397 2.627 50 0 CFAARO C[C@H](Cn1cnc2ccccc2c1=O)[NH2+]CC1=CCCCC1 ZINC000067676147 373991670 /nfs/dbraw/zinc/99/16/70/373991670.db2.gz JBUCUSMLCXTWEG-CQSZACIVSA-N 1 0 297.402 2.875 50 0 CFAARO Cc1ccc(C)c(-c2n[nH]cc2[C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000067675983 373991883 /nfs/dbraw/zinc/99/18/83/373991883.db2.gz SQNRFAFMFVOBOI-INIZCTEOSA-N 1 0 293.374 2.652 50 0 CFAARO Clc1cc(Cl)c2nc(Cn3ccnc3)cn2c1 ZINC000068966739 374042109 /nfs/dbraw/zinc/04/21/09/374042109.db2.gz UNRGUZUHCJNFJZ-UHFFFAOYSA-N 1 0 267.119 2.886 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)c(OC)c1 ZINC000069415634 374059362 /nfs/dbraw/zinc/05/93/62/374059362.db2.gz UEPVTHHAMLXYAE-QWHCGFSZSA-N 1 0 289.379 2.640 50 0 CFAARO CCC[NH+]1CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000069444068 374063899 /nfs/dbraw/zinc/06/38/99/374063899.db2.gz QNDQEEMTZVADMC-HOTGVXAUSA-N 1 0 268.445 2.609 50 0 CFAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2C[C@H](O)c2ccccc2)c1 ZINC000069663385 374082761 /nfs/dbraw/zinc/08/27/61/374082761.db2.gz GSGHZOICZLKUNR-MSOLQXFVSA-N 1 0 299.418 2.780 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000069512757 374071006 /nfs/dbraw/zinc/07/10/06/374071006.db2.gz GOKCXWUVIKFFIW-CQSZACIVSA-N 1 0 295.390 2.760 50 0 CFAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000069531636 374072733 /nfs/dbraw/zinc/07/27/33/374072733.db2.gz CZKTUVDBYUWWBC-NSHDSACASA-N 1 0 278.783 2.554 50 0 CFAARO CSCc1ccc(C[NH2+][C@@H](C)Cn2cc(C)cn2)o1 ZINC000069531179 374073184 /nfs/dbraw/zinc/07/31/84/374073184.db2.gz MGUWOOHFZUVUPV-LBPRGKRZSA-N 1 0 279.409 2.826 50 0 CFAARO CC[N@H+](CCc1cnn(C)c1)Cc1cccc(F)c1 ZINC000069967431 374112274 /nfs/dbraw/zinc/11/22/74/374112274.db2.gz YNPSMRISWWYEPG-UHFFFAOYSA-N 1 0 261.344 2.624 50 0 CFAARO CC[C@](CO)([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000069928805 374112875 /nfs/dbraw/zinc/11/28/75/374112875.db2.gz MZXRSGHOJCNLKO-MRXNPFEDSA-N 1 0 274.364 2.679 50 0 CFAARO Fc1ccccc1SCCN1CC[NH+](CC2CC2)CC1 ZINC000069972364 374113609 /nfs/dbraw/zinc/11/36/09/374113609.db2.gz ULVVEAJSEABMDI-UHFFFAOYSA-N 1 0 294.439 2.945 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2cc(-c3ccccc3)no2)c1 ZINC000070011603 374114230 /nfs/dbraw/zinc/11/42/30/374114230.db2.gz PNTMEQWFHFZMBX-UHFFFAOYSA-N 1 0 282.347 2.636 50 0 CFAARO CCOCCN1CC[N@H+](CCc2cccs2)C[C@@H]1CC ZINC000070008500 374115290 /nfs/dbraw/zinc/11/52/90/374115290.db2.gz FSOOLDVSJWOUIP-HNNXBMFYSA-N 1 0 296.480 2.723 50 0 CFAARO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000070149092 374129608 /nfs/dbraw/zinc/12/96/08/374129608.db2.gz BVCNQFUAIWCMLV-LLVKDONJSA-N 1 0 284.762 2.823 50 0 CFAARO Cc1ccsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069667705 374085089 /nfs/dbraw/zinc/08/50/89/374085089.db2.gz IOVKTXOJMHETEC-CHWSQXEVSA-N 1 0 278.421 2.755 50 0 CFAARO CCOCCN1CC[N@H+](CCc2ccccc2)C[C@H]1CC ZINC000069701354 374087168 /nfs/dbraw/zinc/08/71/68/374087168.db2.gz RLNNCKMUURMASM-GOSISDBHSA-N 1 0 290.451 2.662 50 0 CFAARO C[C@H](C(=O)N1CCCC1)[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069702678 374087537 /nfs/dbraw/zinc/08/75/37/374087537.db2.gz FFHLQVHGZCQFMF-HIFRSBDPSA-N 1 0 290.382 2.626 50 0 CFAARO CCc1nnc([C@H](C)N2CC[NH+](CCC(C)(C)C)CC2)o1 ZINC000069738081 374091703 /nfs/dbraw/zinc/09/17/03/374091703.db2.gz VVMLDZYCHJMQDW-ZDUSSCGKSA-N 1 0 294.443 2.747 50 0 CFAARO CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069738322 374091924 /nfs/dbraw/zinc/09/19/24/374091924.db2.gz BTRGSDZEZVINML-HOCLYGCPSA-N 1 0 274.408 2.733 50 0 CFAARO O=C1OCCN1CC[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000069741987 374093585 /nfs/dbraw/zinc/09/35/85/374093585.db2.gz BFTFKIAQRIBFLT-HNNXBMFYSA-N 1 0 274.364 2.570 50 0 CFAARO CC(C)(C)c1cnc(C(=O)NCCCC[NH+]2CCCC2)o1 ZINC000069744627 374093980 /nfs/dbraw/zinc/09/39/80/374093980.db2.gz DBTJLTRBASMFAL-UHFFFAOYSA-N 1 0 293.411 2.578 50 0 CFAARO c1csc(CC[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000069808412 374098561 /nfs/dbraw/zinc/09/85/61/374098561.db2.gz DPUPTHXRCNSIFB-UHFFFAOYSA-N 1 0 293.461 2.959 50 0 CFAARO CCc1nc2n(n1)C[C@H]([NH2+]C/C(C)=C/c1ccccc1)CC2 ZINC000069810497 374100845 /nfs/dbraw/zinc/10/08/45/374100845.db2.gz TZROXSWCUSZXKA-WSYSLRRZSA-N 1 0 296.418 2.848 50 0 CFAARO Cc1ccc(F)cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069843118 374105090 /nfs/dbraw/zinc/10/50/90/374105090.db2.gz XQWHOQGWVLLDJR-HOTGVXAUSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1c(C)c2ccccc2nc1C[C@H](O)C[NH2+]C(C)C ZINC000071771746 374221058 /nfs/dbraw/zinc/22/10/58/374221058.db2.gz ZUPAXDYLHNIRBC-AWEZNQCLSA-N 1 0 272.392 2.753 50 0 CFAARO Cc1ccc2nc(C[C@@H](O)C[NH2+]C(C)(C)C)ccc2c1 ZINC000071771763 374221203 /nfs/dbraw/zinc/22/12/03/374221203.db2.gz MLCDDFWWNVOFDQ-OAHLLOKOSA-N 1 0 272.392 2.835 50 0 CFAARO CC(C)c1nccc(CN2CC[N@@H+](C(C)C)[C@H](C)C2)n1 ZINC000071753408 374221338 /nfs/dbraw/zinc/22/13/38/374221338.db2.gz FBRNKLMOMFJXFB-CQSZACIVSA-N 1 0 276.428 2.515 50 0 CFAARO Cc1cc(C2CCC2)nc(NCC[C@H]2CCC[N@H+]2C)n1 ZINC000071777334 374223047 /nfs/dbraw/zinc/22/30/47/374223047.db2.gz MDANFAOZSLZRKZ-CQSZACIVSA-N 1 0 274.412 2.949 50 0 CFAARO C[NH+]1CCC2(CCN(C(=O)c3c[nH]c4ccccc34)C2)CC1 ZINC000071780007 374223873 /nfs/dbraw/zinc/22/38/73/374223873.db2.gz ADEONKBIFKMMAV-UHFFFAOYSA-N 1 0 297.402 2.726 50 0 CFAARO C[NH+](C)CCNc1cc(-c2ccccc2F)nc2ccnn21 ZINC000072421462 374251465 /nfs/dbraw/zinc/25/14/65/374251465.db2.gz PTUWSQBMIMUSTB-UHFFFAOYSA-N 1 0 299.353 2.509 50 0 CFAARO CN(CC[NH+](C)C)C(=O)CCCc1ccc(Cl)cc1 ZINC000072423734 374251506 /nfs/dbraw/zinc/25/15/06/374251506.db2.gz GHBGTSSCKFMQCS-UHFFFAOYSA-N 1 0 282.815 2.683 50 0 CFAARO c1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)on1 ZINC000072716245 374279480 /nfs/dbraw/zinc/27/94/80/374279480.db2.gz FBYQYALWTWCLSN-CYBMUJFWSA-N 1 0 250.342 2.598 50 0 CFAARO CSCCC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000072480828 374255513 /nfs/dbraw/zinc/25/55/13/374255513.db2.gz XOBGBAVILBZISL-UHFFFAOYSA-N 1 0 285.844 2.610 50 0 CFAARO Cc1nc(CN2CCC([C@H](C)[NH+]3CCCC3)CC2)co1 ZINC000072476233 374256190 /nfs/dbraw/zinc/25/61/90/374256190.db2.gz OUVXNWQNAOJBMO-ZDUSSCGKSA-N 1 0 277.412 2.679 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000072269801 374238235 /nfs/dbraw/zinc/23/82/35/374238235.db2.gz NCNIBYBIVMMVSL-NEPJUHHUSA-N 1 0 289.408 2.640 50 0 CFAARO CCSC[C@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000072904032 374300645 /nfs/dbraw/zinc/30/06/45/374300645.db2.gz DBAPYISVRJWVMX-LBPRGKRZSA-N 1 0 280.437 2.620 50 0 CFAARO COc1ccccc1C[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000074333403 374415641 /nfs/dbraw/zinc/41/56/41/374415641.db2.gz VIYQSISIIMKCKW-LLVKDONJSA-N 1 0 297.358 2.716 50 0 CFAARO Cc1nnc2n1C[C@@H](C[NH2+]Cc1cc3ccccc3o1)CC2 ZINC000075132789 374458969 /nfs/dbraw/zinc/45/89/69/374458969.db2.gz KVXMHNZRPFGFOH-CYBMUJFWSA-N 1 0 296.374 2.685 50 0 CFAARO Cc1ccc(F)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000075130805 374459875 /nfs/dbraw/zinc/45/98/75/374459875.db2.gz NJEGENOMMFBMHD-HZPDHXFCSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1ccc(F)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000075130809 374460228 /nfs/dbraw/zinc/46/02/28/374460228.db2.gz NJEGENOMMFBMHD-CVEARBPZSA-N 1 0 290.382 2.833 50 0 CFAARO NC(=O)[C@@H]([NH2+]CC1(c2ccccc2F)CC1)c1ccccc1 ZINC000076320483 374548136 /nfs/dbraw/zinc/54/81/36/374548136.db2.gz CHWFZSIBOCJKNX-INIZCTEOSA-N 1 0 298.361 2.674 50 0 CFAARO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2F)C[C@H]1[NH+](C)C ZINC000078894572 374573345 /nfs/dbraw/zinc/57/33/45/374573345.db2.gz YBMWKJWJSWOBDF-IUODEOHRSA-N 1 0 292.398 2.512 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]CCNc1ncccn1 ZINC000078979853 374578372 /nfs/dbraw/zinc/57/83/72/374578372.db2.gz BKVGUQAIIFIQTN-OWBHPGMISA-N 1 0 268.364 2.582 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C2CCCCC2)C1 ZINC000251074395 189969178 /nfs/dbraw/zinc/96/91/78/189969178.db2.gz GERNVYCTUDTLBA-KFWWJZLASA-N 1 0 264.413 2.685 50 0 CFAARO CC[C@H](OC1CCCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000079045210 374587648 /nfs/dbraw/zinc/58/76/48/374587648.db2.gz WTNIBLXRQMXJQN-INIZCTEOSA-N 1 0 296.455 2.572 50 0 CFAARO Cc1csc(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)n1 ZINC000083475198 374747189 /nfs/dbraw/zinc/74/71/89/374747189.db2.gz JJZZUPDJXZOFEY-UHFFFAOYSA-N 1 0 299.440 2.844 50 0 CFAARO CSC[C@@H](CCO)Nc1cc[nH+]c2cc(F)ccc12 ZINC000083990576 374760754 /nfs/dbraw/zinc/76/07/54/374760754.db2.gz YTYCJSAGAXVRFR-LLVKDONJSA-N 1 0 280.368 2.900 50 0 CFAARO CS[C@@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000083990528 374760895 /nfs/dbraw/zinc/76/08/95/374760895.db2.gz ZCQKGYIWJACGAT-CQSZACIVSA-N 1 0 278.421 2.503 50 0 CFAARO CCSc1ccc(C(=O)N2CCCC[C@@H]([NH3+])C2)s1 ZINC000082098122 374726851 /nfs/dbraw/zinc/72/68/51/374726851.db2.gz JOQGFYDPPLXYLJ-SNVBAGLBSA-N 1 0 284.450 2.814 50 0 CFAARO COc1ccccc1C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000082098374 374727045 /nfs/dbraw/zinc/72/70/45/374727045.db2.gz LGSDAHKEYZLAHI-OAHLLOKOSA-N 1 0 285.391 2.808 50 0 CFAARO c1cn2c(n1)[C@@H](C[NH2+]Cc1csc(C3CC3)n1)CCC2 ZINC000084613350 374783989 /nfs/dbraw/zinc/78/39/89/374783989.db2.gz PSSMQUNESPHNEX-GFCCVEGCSA-N 1 0 288.420 2.884 50 0 CFAARO CC(=O)c1c(F)cccc1N[C@@H](C)CC[NH+](C)C ZINC000084637214 374785894 /nfs/dbraw/zinc/78/58/94/374785894.db2.gz SUQBSKWOYPPVTM-JTQLQIEISA-N 1 0 252.333 2.780 50 0 CFAARO CCOC(=O)N1CCC([NH2+]Cc2cc(C)oc2C)CC1 ZINC000089155144 374877612 /nfs/dbraw/zinc/87/76/12/374877612.db2.gz NAMDEOSPPVEOLJ-UHFFFAOYSA-N 1 0 280.368 2.607 50 0 CFAARO CCc1nc(C)c([C@H](C)[NH2+]CCc2nc(C)no2)s1 ZINC000089517760 374916142 /nfs/dbraw/zinc/91/61/42/374916142.db2.gz PPSKYVQFQMILBG-QMMMGPOBSA-N 1 0 280.397 2.599 50 0 CFAARO Cc1cccc(C)c1C[NH2+]CCc1cccc(C(N)=O)c1 ZINC000089688780 374937158 /nfs/dbraw/zinc/93/71/58/374937158.db2.gz UFSHSTNTTWDLCP-UHFFFAOYSA-N 1 0 282.387 2.735 50 0 CFAARO Cc1cccn2c(C[NH2+]C[C@H]3CCCn4ccnc43)cnc12 ZINC000089700479 374938291 /nfs/dbraw/zinc/93/82/91/374938291.db2.gz AQZHEAFRHXJOEQ-CQSZACIVSA-N 1 0 295.390 2.506 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744490 374943845 /nfs/dbraw/zinc/94/38/45/374943845.db2.gz LOKQODIPCFPUJP-NEPJUHHUSA-N 1 0 280.799 2.859 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744493 374944932 /nfs/dbraw/zinc/94/49/32/374944932.db2.gz LOKQODIPCFPUJP-VXGBXAGGSA-N 1 0 280.799 2.859 50 0 CFAARO CC(C)Cc1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000089856534 374961334 /nfs/dbraw/zinc/96/13/34/374961334.db2.gz LXFMPHCEZLNORT-CHWSQXEVSA-N 1 0 266.410 2.877 50 0 CFAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC000089949096 374974850 /nfs/dbraw/zinc/97/48/50/374974850.db2.gz NKAPPNVSIPMVOZ-DZGCQCFKSA-N 1 0 292.448 2.875 50 0 CFAARO O=C1C[C@H]([NH2+][C@@H]2CCSc3ccccc32)CN1C1CC1 ZINC000090180759 374998415 /nfs/dbraw/zinc/99/84/15/374998415.db2.gz NWUNADGWSZURSJ-SMDDNHRTSA-N 1 0 288.416 2.576 50 0 CFAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000090454500 375015743 /nfs/dbraw/zinc/01/57/43/375015743.db2.gz IIGYYSXJRBUBAI-ZBEGNZNMSA-N 1 0 298.390 2.576 50 0 CFAARO O=C(C1CCC1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091847600 375066876 /nfs/dbraw/zinc/06/68/76/375066876.db2.gz AWXJYPZIRUCADE-FUHWJXTLSA-N 1 0 298.430 2.910 50 0 CFAARO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)F ZINC000092868947 375166312 /nfs/dbraw/zinc/16/63/12/375166312.db2.gz XVZOSEDNRRRQIS-CQSZACIVSA-N 1 0 292.398 2.858 50 0 CFAARO O=C1CC[N@H+](Cc2cc(-c3ccccc3)cs2)CCN1 ZINC000093101895 375186287 /nfs/dbraw/zinc/18/62/87/375186287.db2.gz WKKCDGMYXXCJST-UHFFFAOYSA-N 1 0 286.400 2.737 50 0 CFAARO Cn1cc(C[C@@H]2CC[N@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000093870590 375325636 /nfs/dbraw/zinc/32/56/36/375325636.db2.gz JTUQRCLYYWGLBL-LBPRGKRZSA-N 1 0 291.345 2.763 50 0 CFAARO CC(C)[N@@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1C[C@H]1C ZINC000093661802 375291857 /nfs/dbraw/zinc/29/18/57/375291857.db2.gz XSTWVHVXNNCXSE-MNOVXSKESA-N 1 0 266.410 2.713 50 0 CFAARO C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CCOC1 ZINC000093839673 375319374 /nfs/dbraw/zinc/31/93/74/375319374.db2.gz CYNRNBRQBRZBSI-LLVKDONJSA-N 1 0 289.297 2.895 50 0 CFAARO C[N@@H+](Cc1c(F)cccc1N1CCCC1)C[C@H]1CCOC1 ZINC000093840395 375321584 /nfs/dbraw/zinc/32/15/84/375321584.db2.gz OSCBFSJMKVPAIL-CQSZACIVSA-N 1 0 292.398 2.894 50 0 CFAARO CCCCOc1cccc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000095355545 375417393 /nfs/dbraw/zinc/41/73/93/375417393.db2.gz GNFDKTIZFQDBIF-UHFFFAOYSA-N 1 0 271.364 2.901 50 0 CFAARO CCCOc1cccc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000095353994 375418025 /nfs/dbraw/zinc/41/80/25/375418025.db2.gz QLHOVXJOJHIWMT-UHFFFAOYSA-N 1 0 257.337 2.511 50 0 CFAARO CCc1c(C)[nH+]c(N)nc1N[C@H](C)c1ccc(C)cn1 ZINC000095359230 375419568 /nfs/dbraw/zinc/41/95/68/375419568.db2.gz YOCLQGGRKQOHRY-LLVKDONJSA-N 1 0 271.368 2.806 50 0 CFAARO Cc1ccnc(N[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000095367003 375421379 /nfs/dbraw/zinc/42/13/79/375421379.db2.gz GGBPPQBFTWLONI-ZDUSSCGKSA-N 1 0 288.420 2.923 50 0 CFAARO Cc1cc(C)c2c(ncnc2NCC[C@H]2CCC[N@H+]2C)n1 ZINC000095379781 375425257 /nfs/dbraw/zinc/42/52/57/375425257.db2.gz UPMSNBCUNVKBGC-CYBMUJFWSA-N 1 0 285.395 2.538 50 0 CFAARO CCOC[C@@H](O)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000095396842 375430393 /nfs/dbraw/zinc/43/03/93/375430393.db2.gz GJLILDXJUQIMPY-AWEZNQCLSA-N 1 0 299.361 2.542 50 0 CFAARO CCCCn1nc(-c2c[nH]c3ccccc23)nc1C[NH2+]C ZINC000096152698 375470758 /nfs/dbraw/zinc/47/07/58/375470758.db2.gz WYAZHWPRJVZCSN-UHFFFAOYSA-N 1 0 283.379 2.946 50 0 CFAARO Cc1[nH+]ccc(N2CCN(C(C)C)CC2)c1Cl ZINC000095412714 375435874 /nfs/dbraw/zinc/43/58/74/375435874.db2.gz PXXJIEOLFRJOIF-UHFFFAOYSA-N 1 0 253.777 2.574 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N[C@@H]1C=CCCC1 ZINC000095411209 375435988 /nfs/dbraw/zinc/43/59/88/375435988.db2.gz CKTMNZSQFZMRHW-CQSZACIVSA-N 1 0 267.417 2.515 50 0 CFAARO c1ccc(C[NH2+]CCNc2ccc3ccccc3n2)nc1 ZINC000095415550 375437514 /nfs/dbraw/zinc/43/75/14/375437514.db2.gz GYVHCLFFBXREBL-UHFFFAOYSA-N 1 0 278.359 2.832 50 0 CFAARO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000095419757 375439514 /nfs/dbraw/zinc/43/95/14/375439514.db2.gz KGRNMMCLMKNCSO-QWHCGFSZSA-N 1 0 292.423 2.692 50 0 CFAARO C[C@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1 ZINC000095422463 375440373 /nfs/dbraw/zinc/44/03/73/375440373.db2.gz JVOFKAFRQYVQNJ-LBPRGKRZSA-N 1 0 260.312 2.950 50 0 CFAARO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CC1)c1cnccn1 ZINC000095421518 375441408 /nfs/dbraw/zinc/44/14/08/375441408.db2.gz QUBZXCOSBXRZGG-GFCCVEGCSA-N 1 0 297.358 2.588 50 0 CFAARO O[C@H](C[NH2+][C@H]1CCc2ccccc2C1)c1ccsc1 ZINC000095422944 375442063 /nfs/dbraw/zinc/44/20/63/375442063.db2.gz XCMCDJOHDACUJP-JKSUJKDBSA-N 1 0 273.401 2.929 50 0 CFAARO C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000095434899 375447827 /nfs/dbraw/zinc/44/78/27/375447827.db2.gz MFWHXWPFJOZKPR-ILXRZTDVSA-N 1 0 293.455 2.548 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000095448930 375453371 /nfs/dbraw/zinc/45/33/71/375453371.db2.gz UNSCPEMUDCKODQ-NOZJJQNGSA-N 1 0 280.393 2.955 50 0 CFAARO COCC[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000097159734 375532984 /nfs/dbraw/zinc/53/29/84/375532984.db2.gz YGXYMQVGEMYNHK-UHFFFAOYSA-N 1 0 271.320 2.559 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000097159519 375533142 /nfs/dbraw/zinc/53/31/42/375533142.db2.gz PRLGYNJKGWYGOY-CQSZACIVSA-N 1 0 291.370 2.670 50 0 CFAARO Cc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)s1 ZINC000097162265 375533284 /nfs/dbraw/zinc/53/32/84/375533284.db2.gz XVDZQKLLPOXNQR-UHFFFAOYSA-N 1 0 279.327 2.946 50 0 CFAARO c1n[nH]cc1C1CC[NH+](CCOc2ccccc2)CC1 ZINC000097203272 375538814 /nfs/dbraw/zinc/53/88/14/375538814.db2.gz RALHBVRWQDBEPT-UHFFFAOYSA-N 1 0 271.364 2.668 50 0 CFAARO COCC(C)(C)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000097037650 375498430 /nfs/dbraw/zinc/49/84/30/375498430.db2.gz DGTMBZIGCLIYQM-JTQLQIEISA-N 1 0 255.333 2.910 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)c(C)c2)C1 ZINC000097057438 375506086 /nfs/dbraw/zinc/50/60/86/375506086.db2.gz DWIJBNWMFDQPMB-OAHLLOKOSA-N 1 0 294.826 2.949 50 0 CFAARO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)COC2 ZINC000097081518 375508873 /nfs/dbraw/zinc/50/88/73/375508873.db2.gz PFFWJIYUJYDQIP-UHFFFAOYSA-N 1 0 291.395 2.521 50 0 CFAARO CC(=O)N1CCC[N@@H+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000097084266 375510165 /nfs/dbraw/zinc/51/01/65/375510165.db2.gz GWLCWQLFGXOJCA-CQSZACIVSA-N 1 0 292.398 2.701 50 0 CFAARO COc1ccc(OC)c(CC[NH2+][C@@H]2CCCSC2)c1 ZINC000097084507 375511904 /nfs/dbraw/zinc/51/19/04/375511904.db2.gz LFKNMRJFLDYYCR-CYBMUJFWSA-N 1 0 281.421 2.732 50 0 CFAARO CC[N@@H+]1CC[C@H](Nc2ccccc2COC)[C@H](C)C1 ZINC000097095650 375516703 /nfs/dbraw/zinc/51/67/03/375516703.db2.gz ISVQEAFERUVLQD-HIFRSBDPSA-N 1 0 262.397 2.975 50 0 CFAARO C[C@H]1CCCC[C@@H]1C[NH+]1CCN(CC(F)F)CC1 ZINC000097108440 375522010 /nfs/dbraw/zinc/52/20/10/375522010.db2.gz FJHJGGTVKJMSDS-QWHCGFSZSA-N 1 0 260.372 2.695 50 0 CFAARO COCc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000097113593 375525137 /nfs/dbraw/zinc/52/51/37/375525137.db2.gz PXFCRNIHSKFXLI-UHFFFAOYSA-N 1 0 256.349 2.860 50 0 CFAARO CN1C[C@@H]([NH2+][C@H]2CCSc3ccc(F)cc32)CCC1=O ZINC000098020504 375592095 /nfs/dbraw/zinc/59/20/95/375592095.db2.gz MAWWLGVOGWYEHA-AAEUAGOBSA-N 1 0 294.395 2.573 50 0 CFAARO CCc1cnc(CC[NH2+][C@H]2CCCSC2)s1 ZINC000097370988 375551809 /nfs/dbraw/zinc/55/18/09/375551809.db2.gz MKQNVTKQAGGJAY-JTQLQIEISA-N 1 0 256.440 2.733 50 0 CFAARO C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccncc1 ZINC000097370648 375551866 /nfs/dbraw/zinc/55/18/66/375551866.db2.gz QAFCYTQWLRHUQE-CQSZACIVSA-N 1 0 289.423 2.771 50 0 CFAARO CC1([C@H]2CCC[N@H+](Cc3ccsc3)C2)OCCO1 ZINC000097373171 375553936 /nfs/dbraw/zinc/55/39/36/375553936.db2.gz BCQDNJLOBBPYJF-ZDUSSCGKSA-N 1 0 267.394 2.723 50 0 CFAARO c1cn(C2CC[NH+](CC3CCCCCC3)CC2)nn1 ZINC000097377206 375554593 /nfs/dbraw/zinc/55/45/93/375554593.db2.gz XCLKVHAAHYBCET-UHFFFAOYSA-N 1 0 262.401 2.885 50 0 CFAARO Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)nc1 ZINC000097376958 375554949 /nfs/dbraw/zinc/55/49/49/375554949.db2.gz BAOYKEQOQKOULW-HNNXBMFYSA-N 1 0 284.407 2.578 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1cccc(Cl)c1F ZINC000097578662 375568307 /nfs/dbraw/zinc/56/83/07/375568307.db2.gz DLICXYKBBMAWGX-ZDUSSCGKSA-N 1 0 298.789 2.970 50 0 CFAARO CC(C)Oc1ccc(-c2ccccc2C[NH+](C)C)nn1 ZINC000097570882 375568339 /nfs/dbraw/zinc/56/83/39/375568339.db2.gz JSLVARRRBISGMV-UHFFFAOYSA-N 1 0 271.364 2.992 50 0 CFAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1c(F)cccc1Cl)C2 ZINC000097594790 375570257 /nfs/dbraw/zinc/57/02/57/375570257.db2.gz QOJWHVGPJCWYET-MNOVXSKESA-N 1 0 296.773 2.580 50 0 CFAARO [NH3+]CC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1 ZINC000097758209 375584502 /nfs/dbraw/zinc/58/45/02/375584502.db2.gz IJVNQJHHXLTQFV-OAHLLOKOSA-N 1 0 260.381 2.791 50 0 CFAARO CC[NH+]1CCN(c2cc(C)c3ccc(OC)cc3n2)CC1 ZINC000100844894 375630141 /nfs/dbraw/zinc/63/01/41/375630141.db2.gz MNHUPYMQGWNISM-UHFFFAOYSA-N 1 0 285.391 2.694 50 0 CFAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1cnccn1 ZINC000108326801 375815216 /nfs/dbraw/zinc/81/52/16/375815216.db2.gz PINBWMGEABGTND-HSMVNMDESA-N 1 0 289.354 2.779 50 0 CFAARO CCc1cccc2c(CC[NH2+]Cc3cc[nH]n3)c[nH]c21 ZINC000111397724 375843186 /nfs/dbraw/zinc/84/31/86/375843186.db2.gz NICNCJGMTZWDGR-UHFFFAOYSA-N 1 0 268.364 2.786 50 0 CFAARO c1c[n+](COC2CCCC2)cn1CCOc1ccccc1 ZINC000261492856 190039086 /nfs/dbraw/zinc/03/90/86/190039086.db2.gz KDIWQPNCWQEADU-UHFFFAOYSA-N 1 0 287.383 2.771 50 0 CFAARO CC(C)OC[n+]1ccn(Cc2ccc(Cl)cc2)c1 ZINC000261492997 190039259 /nfs/dbraw/zinc/03/92/59/190039259.db2.gz VPYZIVRSGVITIB-UHFFFAOYSA-N 1 0 265.764 2.860 50 0 CFAARO CCc1noc(C)c1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000125477447 377161374 /nfs/dbraw/zinc/16/13/74/377161374.db2.gz YIRFHBBIRRNRLO-JTQLQIEISA-N 1 0 279.384 2.510 50 0 CFAARO CCC(CC)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000129621234 377451497 /nfs/dbraw/zinc/45/14/97/377451497.db2.gz BFLVZEAHYQTVPI-LBPRGKRZSA-N 1 0 298.452 2.682 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1nc2ccccc2o1 ZINC000131082006 377654713 /nfs/dbraw/zinc/65/47/13/377654713.db2.gz LQSWBGCZDHJDRU-SRVKXCTJSA-N 1 0 287.363 2.523 50 0 CFAARO Fc1ccc(C[C@@H]2CC[N@H+](CCn3ccnc3)C2)cc1 ZINC000131402303 377707047 /nfs/dbraw/zinc/70/70/47/377707047.db2.gz QDRXATSKMKYXIS-HNNXBMFYSA-N 1 0 273.355 2.587 50 0 CFAARO Cc1ncccc1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000154702196 378588914 /nfs/dbraw/zinc/58/89/14/378588914.db2.gz CYAXFWDAPFRVOA-UZLBHIALSA-N 1 0 288.416 2.599 50 0 CFAARO O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CC[NH2+]CC1 ZINC000159341894 378703889 /nfs/dbraw/zinc/70/38/89/378703889.db2.gz HEKBWLHMBDPCHC-GHMZBOCLSA-N 1 0 299.201 2.529 50 0 CFAARO Fc1cccc(C[C@@H]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000169676628 379107656 /nfs/dbraw/zinc/10/76/56/379107656.db2.gz FWYJIJZACCGEHT-AWEZNQCLSA-N 1 0 263.356 2.917 50 0 CFAARO Cc1cnc(-c2ccccc2)n1C[C@H]1CCC[NH2+]C1 ZINC000169676752 379108030 /nfs/dbraw/zinc/10/80/30/379108030.db2.gz XZYYDISDJKVDNC-AWEZNQCLSA-N 1 0 255.365 2.858 50 0 CFAARO Cc1cccc(NC(=O)N(CC[NH+](C)C)C2CC2)c1 ZINC000170600345 379123895 /nfs/dbraw/zinc/12/38/95/379123895.db2.gz MVSKGNFKHOOOLL-UHFFFAOYSA-N 1 0 261.369 2.553 50 0 CFAARO Cc1cc(NCc2ccccc2CN2CCOCC2)cc[nH+]1 ZINC000170597213 379124378 /nfs/dbraw/zinc/12/43/78/379124378.db2.gz PRVLBBINLUEQKL-UHFFFAOYSA-N 1 0 297.402 2.834 50 0 CFAARO CC1(C)CCC[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC000170607211 379126973 /nfs/dbraw/zinc/12/69/73/379126973.db2.gz DYBVPFPKKBRJQX-GFCCVEGCSA-N 1 0 266.410 2.533 50 0 CFAARO COC(=O)Nc1ccccc1OCC[NH+]1CCCCC1 ZINC000170609034 379129369 /nfs/dbraw/zinc/12/93/69/379129369.db2.gz XYWVLRKIDQDWEE-UHFFFAOYSA-N 1 0 278.352 2.730 50 0 CFAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1F ZINC000170074671 379115626 /nfs/dbraw/zinc/11/56/26/379115626.db2.gz ILYWOVXECRDVIP-JFGNBEQYSA-N 1 0 253.292 2.552 50 0 CFAARO Cc1cc([C@@H]2C[N@H+](C[C@H]3CCOC3)CCO2)ccc1F ZINC000334391922 379215710 /nfs/dbraw/zinc/21/57/10/379215710.db2.gz WJUZHVWHEBGVAF-CJNGLKHVSA-N 1 0 279.355 2.544 50 0 CFAARO CC(C)Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000408519129 380936335 /nfs/dbraw/zinc/93/63/35/380936335.db2.gz AUEVANPMWBAIHY-RHSMWYFYSA-N 1 0 288.435 2.766 50 0 CFAARO CC[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000408519169 380936416 /nfs/dbraw/zinc/93/64/16/380936416.db2.gz LNHWCGYCWFUNTN-FMKPAKJESA-N 1 0 274.408 2.909 50 0 CFAARO C[NH+](C)CC1(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)CCC1 ZINC000341663604 381156560 /nfs/dbraw/zinc/15/65/60/381156560.db2.gz RYSMCRHEYDIBSA-HOTGVXAUSA-N 1 0 286.419 2.781 50 0 CFAARO Cc1ccc(C[NH2+]C[C@H]2COc3ccccc32)nc1 ZINC000342440027 381332412 /nfs/dbraw/zinc/33/24/12/381332412.db2.gz OPKBCCGYYPKRLW-ZDUSSCGKSA-N 1 0 254.333 2.656 50 0 CFAARO c1cnn(CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000299763364 382044236 /nfs/dbraw/zinc/04/42/36/382044236.db2.gz ZTHLVHADICFCPS-MRXNPFEDSA-N 1 0 255.365 2.763 50 0 CFAARO CCCc1ccccc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000299773593 382045601 /nfs/dbraw/zinc/04/56/01/382045601.db2.gz GFGLLAXHBQJQAZ-ZDUSSCGKSA-N 1 0 261.369 2.513 50 0 CFAARO [NH3+]CCN1Cc2ccccc2O[C@H](c2ccsc2)C1 ZINC000299775732 382045761 /nfs/dbraw/zinc/04/57/61/382045761.db2.gz IDFVBBMPPYQHHI-HNNXBMFYSA-N 1 0 274.389 2.643 50 0 CFAARO CNC(=O)c1ccc(C[NH+]2CCC(CSC)CC2)cc1 ZINC000299789105 382048312 /nfs/dbraw/zinc/04/83/12/382048312.db2.gz WXNINSSOGANVJQ-UHFFFAOYSA-N 1 0 292.448 2.621 50 0 CFAARO COCC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(F)cc1 ZINC000299799602 382050645 /nfs/dbraw/zinc/05/06/45/382050645.db2.gz SVPLYXBAFCRKBL-LBPRGKRZSA-N 1 0 294.370 2.511 50 0 CFAARO CC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)C[C@@H](C)O ZINC000352213744 382230501 /nfs/dbraw/zinc/23/05/01/382230501.db2.gz WGXOBXAXWPRGHI-CYBMUJFWSA-N 1 0 274.364 2.853 50 0 CFAARO CCC[C@]1(CO)CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000377491918 382276424 /nfs/dbraw/zinc/27/64/24/382276424.db2.gz ONGTVGVTDOLLNQ-INIZCTEOSA-N 1 0 292.354 2.951 50 0 CFAARO C[C@H](C[NH2+]C[C@]1(O)CCSC1)c1cccc(Cl)c1 ZINC000188091056 382343608 /nfs/dbraw/zinc/34/36/08/382343608.db2.gz XGAVAYNARSHXDN-BXUZGUMPSA-N 1 0 285.840 2.901 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000311255135 382501525 /nfs/dbraw/zinc/50/15/25/382501525.db2.gz NBBPRCLVZCFWIG-DEBLGDTFSA-N 1 0 278.783 2.564 50 0 CFAARO Fc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000193942817 382730453 /nfs/dbraw/zinc/73/04/53/382730453.db2.gz PZBLNCGPCYBKMV-BPLDGKMQSA-N 1 0 261.340 2.873 50 0 CFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000195529695 382768625 /nfs/dbraw/zinc/76/86/25/382768625.db2.gz RYBBGEILDAKLLE-ROUUACIJSA-N 1 0 294.398 2.573 50 0 CFAARO Cc1ccc([C@H]2CCCN2C(=O)CC2([NH3+])CCC2)cc1 ZINC000195543130 382769142 /nfs/dbraw/zinc/76/91/42/382769142.db2.gz NMKWHFMUOGMXJA-OAHLLOKOSA-N 1 0 272.392 2.930 50 0 CFAARO OC[C@H](NCc1ccc(F)c(Cl)c1)c1ccco1 ZINC000195546049 382769814 /nfs/dbraw/zinc/76/98/14/382769814.db2.gz PKZZMWUEXSTBLZ-LBPRGKRZSA-N 1 0 269.703 2.895 50 0 CFAARO CCc1nccc(C[N@H+](C)CC[C@@H](O)c2ccccc2)n1 ZINC000215072907 382777390 /nfs/dbraw/zinc/77/73/90/382777390.db2.gz GMDPVEGQLOMJCI-MRXNPFEDSA-N 1 0 285.391 2.595 50 0 CFAARO [NH3+][C@@H]1CCN(Cc2ccc(OC3CCCC3)cc2)C1 ZINC000215345085 382778385 /nfs/dbraw/zinc/77/83/85/382778385.db2.gz YXWNOLZXEWSTJO-CQSZACIVSA-N 1 0 260.381 2.541 50 0 CFAARO COc1ccc(F)c(F)c1CN(C)CCCn1cccn1 ZINC000215396775 382778610 /nfs/dbraw/zinc/77/86/10/382778610.db2.gz ZFDARYJVSAOOHT-UHFFFAOYSA-N 1 0 295.333 2.692 50 0 CFAARO Cc1ccccc1CC1(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000215368588 382778661 /nfs/dbraw/zinc/77/86/61/382778661.db2.gz CLBBIJXBGAXZOK-UHFFFAOYSA-N 1 0 286.419 2.576 50 0 CFAARO CCOc1ccc(C[NH+]2CCC(OCC)CC2)cc1CO ZINC000215356268 382778674 /nfs/dbraw/zinc/77/86/74/382778674.db2.gz VXENGPPVJJAEHJ-UHFFFAOYSA-N 1 0 293.407 2.579 50 0 CFAARO CSc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000215321735 382778710 /nfs/dbraw/zinc/77/87/10/382778710.db2.gz DLQSWMANKULAKF-CYBMUJFWSA-N 1 0 288.420 2.906 50 0 CFAARO CC(=O)c1cc(C[N@@H+](C)CCCc2nccn2C)cs1 ZINC000215456749 382779058 /nfs/dbraw/zinc/77/90/58/382779058.db2.gz JQBRRXCOBHHIFS-UHFFFAOYSA-N 1 0 291.420 2.749 50 0 CFAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1ccc(Cl)o1 ZINC000215468019 382779213 /nfs/dbraw/zinc/77/92/13/382779213.db2.gz UFIPAPSCCOXKNQ-SNVBAGLBSA-N 1 0 265.744 2.786 50 0 CFAARO C[N@H+](CCn1cccn1)Cc1ccc([C@H]2CCCO2)s1 ZINC000215734660 382780273 /nfs/dbraw/zinc/78/02/73/382780273.db2.gz NAPUUPZNNRYNFD-CQSZACIVSA-N 1 0 291.420 2.928 50 0 CFAARO Cc1nccn1CC[N@@H+](C)Cc1cccc2cc[nH]c21 ZINC000215911412 382781238 /nfs/dbraw/zinc/78/12/38/382781238.db2.gz XVPVNXRQAPZQFS-UHFFFAOYSA-N 1 0 268.364 2.805 50 0 CFAARO CSc1ncc(C[N@H+](C)CC[C@@H]2CCCCO2)cn1 ZINC000216149315 382781820 /nfs/dbraw/zinc/78/18/20/382781820.db2.gz FBWQSGKRXROVLS-ZDUSSCGKSA-N 1 0 281.425 2.590 50 0 CFAARO CC[N@H+](Cc1cnc(C(C)C)nc1)C1CCOCC1 ZINC000216092666 382781873 /nfs/dbraw/zinc/78/18/73/382781873.db2.gz FRODMXAJBJVJKL-UHFFFAOYSA-N 1 0 263.385 2.601 50 0 CFAARO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216158067 382781942 /nfs/dbraw/zinc/78/19/42/382781942.db2.gz VFLYNYHINWGPMG-KFWWJZLASA-N 1 0 266.429 2.611 50 0 CFAARO CN(Cc1cscn1)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000216276873 382782538 /nfs/dbraw/zinc/78/25/38/382782538.db2.gz CENBLNVQXLTMSM-INIZCTEOSA-N 1 0 287.432 2.632 50 0 CFAARO Cc1cc(C)n([C@H]2CC[N@H+](Cc3c(C)noc3C)C2)n1 ZINC000216223241 382782778 /nfs/dbraw/zinc/78/27/78/382782778.db2.gz WWYFVUFDLVVEDV-AWEZNQCLSA-N 1 0 274.368 2.552 50 0 CFAARO c1cc(OC2CCCC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000216401074 382783795 /nfs/dbraw/zinc/78/37/95/382783795.db2.gz CDXRZGZFCHHRRW-IYBDPMFKSA-N 1 0 286.419 2.659 50 0 CFAARO c1ccc([C@H](CNc2ncncn2)[NH+]2CCCCCC2)cc1 ZINC000219932218 382795114 /nfs/dbraw/zinc/79/51/14/382795114.db2.gz KKSHGXRPJBQJHX-INIZCTEOSA-N 1 0 297.406 2.901 50 0 CFAARO CCNC(=O)C(C)(C)C[NH2+]C[C@H](C)c1ccccc1 ZINC000194525039 382746825 /nfs/dbraw/zinc/74/68/25/382746825.db2.gz NMDIONLZPSWSNS-ZDUSSCGKSA-N 1 0 262.397 2.542 50 0 CFAARO C=Cn1cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000194675785 382751795 /nfs/dbraw/zinc/75/17/95/382751795.db2.gz CSYWEWOHDQMPAE-CZUORRHYSA-N 1 0 268.364 2.962 50 0 CFAARO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2nccs2)C1 ZINC000194876845 382757072 /nfs/dbraw/zinc/75/70/72/382757072.db2.gz OOAVGDYJWLQDQZ-AWEZNQCLSA-N 1 0 282.409 2.554 50 0 CFAARO C[C@@H](C[N@H+](C)Cc1cccc(C(=O)[O-])c1)C[NH+]1CCCC1 ZINC000219308365 382793323 /nfs/dbraw/zinc/79/33/23/382793323.db2.gz PGXRQANREHUEJZ-AWEZNQCLSA-N 1 0 290.407 2.549 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccco2)C12CCCC2 ZINC000221719089 382799327 /nfs/dbraw/zinc/79/93/27/382799327.db2.gz WLDDIBYRQYASLH-BPLDGKMQSA-N 1 0 279.380 2.640 50 0 CFAARO CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000221829652 382799896 /nfs/dbraw/zinc/79/98/96/382799896.db2.gz LREAMVOATQIAJB-RDBSUJKOSA-N 1 0 252.402 2.604 50 0 CFAARO CCc1ncc(C[N@H+](C)CCc2ccccc2)cn1 ZINC000223683582 382806105 /nfs/dbraw/zinc/80/61/05/382806105.db2.gz XJVKESZUCRNRNT-UHFFFAOYSA-N 1 0 255.365 2.714 50 0 CFAARO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000225416129 382816014 /nfs/dbraw/zinc/81/60/14/382816014.db2.gz DHYHMGVYMSSEIQ-IJLUTSLNSA-N 1 0 273.442 2.695 50 0 CFAARO CC(C)C[C@@H](C)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000225628004 382819231 /nfs/dbraw/zinc/81/92/31/382819231.db2.gz ZCKBJMJLOGZICM-CQSZACIVSA-N 1 0 281.444 2.548 50 0 CFAARO CCCCc1noc([C@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000229473195 382851589 /nfs/dbraw/zinc/85/15/89/382851589.db2.gz LBUMCGWRANODOH-UONOGXRCSA-N 1 0 292.427 2.643 50 0 CFAARO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@H]21 ZINC000230267442 382858335 /nfs/dbraw/zinc/85/83/35/382858335.db2.gz VDNVGQSYVUISIU-APHBMKBZSA-N 1 0 289.375 2.709 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ccno2)C12CCCCC2 ZINC000231880570 382867381 /nfs/dbraw/zinc/86/73/81/382867381.db2.gz CQBGIHRBXMSRDT-UONOGXRCSA-N 1 0 264.369 2.892 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000233840854 382872336 /nfs/dbraw/zinc/87/23/36/382872336.db2.gz ATQCPKJYYGGPLX-CHWSQXEVSA-N 1 0 253.415 2.537 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ncnn1CC(C)C ZINC000233994063 382872908 /nfs/dbraw/zinc/87/29/08/382872908.db2.gz NSTNZOMXBYCXSP-QWHCGFSZSA-N 1 0 282.457 2.698 50 0 CFAARO C/C(=C/C(=O)N1CCCC[C@@H]1C[NH3+])c1ccccc1F ZINC000236622613 382899593 /nfs/dbraw/zinc/89/95/93/382899593.db2.gz MHEVJYOACXYAIY-KXXVWKPMSA-N 1 0 276.355 2.569 50 0 CFAARO C[C@@H](CCc1ccccc1F)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237348782 382957520 /nfs/dbraw/zinc/95/75/20/382957520.db2.gz HZHUJLMHYGMUEP-ZFWWWQNUSA-N 1 0 292.398 2.734 50 0 CFAARO C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000237353824 382957583 /nfs/dbraw/zinc/95/75/83/382957583.db2.gz XMGNJZUBFMIIDW-DWZYQQQCSA-N 1 0 292.810 2.763 50 0 CFAARO CSCc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000237384842 382958589 /nfs/dbraw/zinc/95/85/89/382958589.db2.gz YNLKYWIBURNIOR-SWLSCSKDSA-N 1 0 292.448 2.892 50 0 CFAARO Cc1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000237512222 382963377 /nfs/dbraw/zinc/96/33/77/382963377.db2.gz OSBRMCURUYIRPX-GSKXSAQWSA-N 1 0 292.810 3.000 50 0 CFAARO CC[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000236925971 382932620 /nfs/dbraw/zinc/93/26/20/382932620.db2.gz LNHWCGYCWFUNTN-LZWOXQAQSA-N 1 0 274.408 2.909 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000237955781 382975429 /nfs/dbraw/zinc/97/54/29/382975429.db2.gz KWNLPRVGIXKUKS-GARJFASQSA-N 1 0 296.773 2.532 50 0 CFAARO COc1cccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000238855936 382980538 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ZINC000243901552 382988201 /nfs/dbraw/zinc/98/82/01/382988201.db2.gz BCIYSDFUBIQJCQ-UHFFFAOYSA-N 1 0 280.437 2.887 50 0 CFAARO CNC(=O)C(C)(C)N(C)Cc1ccc([C@@H]2CCCO2)s1 ZINC000243932126 382988572 /nfs/dbraw/zinc/98/85/72/382988572.db2.gz BTCWSRHACSYRTJ-LBPRGKRZSA-N 1 0 296.436 2.556 50 0 CFAARO Cc1cc(C)n([C@H]2CC[N@@H+](C3CCSCC3)C2)n1 ZINC000244633480 382989152 /nfs/dbraw/zinc/98/91/52/382989152.db2.gz GDRRUAXHDZFXIR-AWEZNQCLSA-N 1 0 265.426 2.642 50 0 CFAARO C[N@H+](CCCc1cccnc1)CC[C@H]1CCCCO1 ZINC000244691794 382989911 /nfs/dbraw/zinc/98/99/11/382989911.db2.gz JJLTYPPWJFOJGC-MRXNPFEDSA-N 1 0 262.397 2.905 50 0 CFAARO Cc1nccc(C2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000244673782 382990077 /nfs/dbraw/zinc/99/00/77/382990077.db2.gz HVJPACSRBILJFQ-GOSISDBHSA-N 1 0 297.402 2.698 50 0 CFAARO COc1ccnc(C[N@H+](C)CC[C@@H](O)c2ccccc2)c1 ZINC000244764174 382991649 /nfs/dbraw/zinc/99/16/49/382991649.db2.gz PCPSWIOCBKDYQW-QGZVFWFLSA-N 1 0 286.375 2.646 50 0 CFAARO 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Cc1cccc(C[N@H+](CCc2cn[nH]c2)C[C@H]2CCCO2)c1 ZINC000252506640 383415260 /nfs/dbraw/zinc/41/52/60/383415260.db2.gz WBWFMNZGFRWNSZ-GOSISDBHSA-N 1 0 299.418 2.942 50 0 CFAARO COc1nc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nn1C ZINC000426410428 383398550 /nfs/dbraw/zinc/39/85/50/383398550.db2.gz FMELDPTVMWWVEQ-LBPRGKRZSA-N 1 0 286.379 2.648 50 0 CFAARO COc1ncccc1-c1ccc(-c2c[nH]c(N)[nH+]2)cc1 ZINC000426501682 383403021 /nfs/dbraw/zinc/40/30/21/383403021.db2.gz BCFURNNGBXUCFN-UHFFFAOYSA-N 1 0 266.304 2.560 50 0 CFAARO Cn1c(SCCCCCF)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426627872 383407575 /nfs/dbraw/zinc/40/75/75/383407575.db2.gz XUTMHTUQQPSMOJ-LLVKDONJSA-N 1 0 286.420 2.514 50 0 CFAARO CCC1=NO[C@H](C[N@H+](C)Cc2ccccc2-n2cccn2)C1 ZINC000252481673 383411563 /nfs/dbraw/zinc/41/15/63/383411563.db2.gz CQFIKXHXZKDGDL-INIZCTEOSA-N 1 0 298.390 2.859 50 0 CFAARO Cc1ccccc1Cn1c[n+](Cc2ccc(F)cc2)cn1 ZINC000252481726 383411782 /nfs/dbraw/zinc/41/17/82/383411782.db2.gz CRABNFOYJMXWHY-UHFFFAOYSA-N 1 0 282.342 2.715 50 0 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YYMZOAOKBYQABS-KNPMLCFXSA-N 1 0 272.392 2.549 50 0 CFAARO CCc1nsc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000253431351 383459885 /nfs/dbraw/zinc/45/98/85/383459885.db2.gz ZRXBKFJISWOBID-YPMHNXCESA-N 1 0 292.452 2.554 50 0 CFAARO CCc1nsc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000253431340 383460107 /nfs/dbraw/zinc/46/01/07/383460107.db2.gz ZRXBKFJISWOBID-AAEUAGOBSA-N 1 0 292.452 2.554 50 0 CFAARO CCc1cccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000252527962 383417242 /nfs/dbraw/zinc/41/72/42/383417242.db2.gz DVHVXBXKMRMREM-UHFFFAOYSA-N 1 0 286.419 2.740 50 0 CFAARO C[C@H](C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C)c1ccc(F)cc1 ZINC000252536970 383418415 /nfs/dbraw/zinc/41/84/15/383418415.db2.gz JZVUKUSEOAQEGK-YRGRVCCFSA-N 1 0 278.371 2.515 50 0 CFAARO [NH3+][C@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 ZINC000261596619 383525738 /nfs/dbraw/zinc/52/57/38/383525738.db2.gz AINXRARPKCXFEO-QGZVFWFLSA-N 1 0 295.386 2.663 50 0 CFAARO Cc1nc2c(s1)[C@@H](N(C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000261984102 383590239 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ZINC000032787936 393515751 /nfs/dbraw/zinc/51/57/51/393515751.db2.gz CNARDEXEEBPPKI-UHFFFAOYSA-N 1 0 252.402 2.509 50 0 CFAARO CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000067920192 393634269 /nfs/dbraw/zinc/63/42/69/393634269.db2.gz HQLQWMJMNWSXQH-HNNXBMFYSA-N 1 0 290.455 2.710 50 0 CFAARO C[C@H]([C@H](C)[NH2+]CC1=Cc2ccccc2OC1)n1cccn1 ZINC000069417261 393637295 /nfs/dbraw/zinc/63/72/95/393637295.db2.gz KGHATYXIAXOYAS-UONOGXRCSA-N 1 0 283.375 2.898 50 0 CFAARO CC(C)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2=O)cc1 ZINC000072133882 393642500 /nfs/dbraw/zinc/64/25/00/393642500.db2.gz IBHOUMFYELVWML-GOSISDBHSA-N 1 0 286.419 2.912 50 0 CFAARO C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000075094239 393670163 /nfs/dbraw/zinc/67/01/63/393670163.db2.gz UYRGXYCQDHNZCI-KFWWJZLASA-N 1 0 293.455 2.691 50 0 CFAARO C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218909101 393759129 /nfs/dbraw/zinc/75/91/29/393759129.db2.gz AFRLSDPVVKZMCA-JHJVBQTASA-N 1 0 278.371 2.863 50 0 CFAARO Cn1cc(C[N@@H+]2CCSC3(CCCCC3)C2)cn1 ZINC000095964231 393814762 /nfs/dbraw/zinc/81/47/62/393814762.db2.gz BTSSWKJCJLQSMY-UHFFFAOYSA-N 1 0 265.426 2.672 50 0 CFAARO COC[C@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000096406954 393821329 /nfs/dbraw/zinc/82/13/29/393821329.db2.gz UQZWSQXRKZURBV-GFCCVEGCSA-N 1 0 291.313 2.537 50 0 CFAARO Cc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)cc1 ZINC000096419595 393827084 /nfs/dbraw/zinc/82/70/84/393827084.db2.gz WRPOQXMUIWWKHA-UHFFFAOYSA-N 1 0 290.407 2.823 50 0 CFAARO Cc1cccnc1[C@@H]([NH2+]CCCN1CCOC1=O)C(C)C ZINC000096424404 393829203 /nfs/dbraw/zinc/82/92/03/393829203.db2.gz BFGVNHJSSZJCRN-AWEZNQCLSA-N 1 0 291.395 2.519 50 0 CFAARO CC[C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106135237 393866668 /nfs/dbraw/zinc/86/66/68/393866668.db2.gz YRRYCOUBMRQLGX-SQWLQELKSA-N 1 0 274.408 2.984 50 0 CFAARO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ccc(F)cc4n3)[C@H]2C1 ZINC000252510651 393937167 /nfs/dbraw/zinc/93/71/67/393937167.db2.gz 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/nfs/dbraw/zinc/37/13/37/394371337.db2.gz NSQZACYKEVCJHZ-CYBMUJFWSA-N 1 0 283.371 2.743 50 0 CFAARO O=C(Nc1ccccc1OC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000178037359 394385849 /nfs/dbraw/zinc/38/58/49/394385849.db2.gz BBNCLZJHNWJJHU-CYBMUJFWSA-N 1 0 288.391 2.946 50 0 CFAARO Fc1ccc(/C=C\C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000538810386 394616190 /nfs/dbraw/zinc/61/61/90/394616190.db2.gz LNKHYSLOIVYXTE-UPHRSURJSA-N 1 0 291.366 2.720 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C/C(C)=C\c2ccccc2)C1 ZINC000538794254 394616254 /nfs/dbraw/zinc/61/62/54/394616254.db2.gz QEHOGCUKJFBNBI-VHUCWBOISA-N 1 0 286.419 2.890 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)C(F)(F)c2ccccc2)CC1 ZINC000044985679 397572843 /nfs/dbraw/zinc/57/28/43/397572843.db2.gz ODKYDMKPZFFDKE-UHFFFAOYSA-N 1 0 296.361 2.767 50 0 CFAARO CCC(C)(C)OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008844684 397536638 /nfs/dbraw/zinc/53/66/38/397536638.db2.gz VYRKPHWIIBNPNU-HZSPNIEDSA-N 1 0 257.418 2.530 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]1CO)CCC2 ZINC000108116001 397598118 /nfs/dbraw/zinc/59/81/18/397598118.db2.gz XIGLKBRBAIQEPC-QJPTWQEYSA-N 1 0 280.437 2.834 50 0 CFAARO Cn1nccc1C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000195575828 397612108 /nfs/dbraw/zinc/61/21/08/397612108.db2.gz FMYKRNRQTKBDCY-UHFFFAOYSA-N 1 0 271.364 2.505 50 0 CFAARO CO[C@@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000215281888 397619237 /nfs/dbraw/zinc/61/92/37/397619237.db2.gz DQCFCTZOXMTSIT-QGZVFWFLSA-N 1 0 285.391 2.542 50 0 CFAARO COc1ccc(C[C@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000169676631 286315565 /nfs/dbraw/zinc/31/55/65/286315565.db2.gz FTAUTSHZRABMNC-OAHLLOKOSA-N 1 0 275.392 2.787 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1Cl ZINC000071879189 286355191 /nfs/dbraw/zinc/35/51/91/286355191.db2.gz VRKHICIWLPMOQZ-LLVKDONJSA-N 1 0 279.771 2.896 50 0 CFAARO Cc1cccc2[nH]c(CC[NH2+][C@@H]3CCSC3)nc21 ZINC000825230904 782006923 /nfs/dbraw/zinc/00/69/23/782006923.db2.gz SHDQBXNNSFSKDL-LLVKDONJSA-N 1 0 261.394 2.509 50 0 CFAARO Cc1nc([C@@H]2CCCC[NH2+]2)n(C2Cc3ccccc3C2)n1 ZINC000825291952 782007775 /nfs/dbraw/zinc/00/77/75/782007775.db2.gz BTYQCVZZGDJYNE-INIZCTEOSA-N 1 0 282.391 2.741 50 0 CFAARO CC(C)n1nccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000367164280 156290592 /nfs/dbraw/zinc/29/05/92/156290592.db2.gz HGKBDLSXTXUVAJ-HNNXBMFYSA-N 1 0 285.391 2.947 50 0 CFAARO Fc1ccc(-n2cc(C[NH2+][C@H]3CCSC3)cn2)cc1 ZINC000344766444 162118024 /nfs/dbraw/zinc/11/80/24/162118024.db2.gz QAXIFFRIWMRCRZ-ZDUSSCGKSA-N 1 0 277.368 2.607 50 0 CFAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000002674816 169819684 /nfs/dbraw/zinc/81/96/84/169819684.db2.gz NPDKCEQNSNHTEI-CQSZACIVSA-N 1 0 283.799 2.874 50 0 CFAARO CCOC(=O)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000003683694 169908184 /nfs/dbraw/zinc/90/81/84/169908184.db2.gz BRMXWOKLCXCBGV-UHFFFAOYSA-N 1 0 253.386 2.840 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004714842 170004232 /nfs/dbraw/zinc/00/42/32/170004232.db2.gz BBOSOJWGIQJOFE-UHFFFAOYSA-N 1 0 288.313 2.777 50 0 CFAARO C[C@H]1CCC[N@H+](CCCOc2ccccc2C=O)C1 ZINC000004840956 170027586 /nfs/dbraw/zinc/02/75/86/170027586.db2.gz NFZNCLYYQZNOCZ-AWEZNQCLSA-N 1 0 261.365 3.000 50 0 CFAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCO)o1 ZINC000004942916 170043433 /nfs/dbraw/zinc/04/34/33/170043433.db2.gz GWFDFZQYDRYLBN-UHFFFAOYSA-N 1 0 265.740 2.990 50 0 CFAARO CC[NH+](CC)CCOCCOc1cccc(C)c1 ZINC000004989569 170049754 /nfs/dbraw/zinc/04/97/54/170049754.db2.gz OKMVPDRUCVTOGK-UHFFFAOYSA-N 1 0 251.370 2.732 50 0 CFAARO C[N@H+](C[C@H](O)COc1ccccc1F)C1CCCCC1 ZINC000004993544 170051455 /nfs/dbraw/zinc/05/14/55/170051455.db2.gz WNNCLIQBKNSDEV-AWEZNQCLSA-N 1 0 281.371 2.830 50 0 CFAARO c1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000004999743 170052563 /nfs/dbraw/zinc/05/25/63/170052563.db2.gz GKYNHGZOYVZQSA-UHFFFAOYSA-N 1 0 255.317 2.748 50 0 CFAARO C[C@H]([NH2+]C[C@@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000005051506 170061363 /nfs/dbraw/zinc/06/13/63/170061363.db2.gz KJRIMWMASAAALK-SMDDNHRTSA-N 1 0 269.410 2.719 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000005051405 170061502 /nfs/dbraw/zinc/06/15/02/170061502.db2.gz ULKRONYQGUYPJU-UXLLHSPISA-N 1 0 277.408 2.542 50 0 CFAARO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCCCC1 ZINC000005186743 170074924 /nfs/dbraw/zinc/07/49/24/170074924.db2.gz JJONHCYTZQPOEH-OAHLLOKOSA-N 1 0 263.381 2.529 50 0 CFAARO CCn1cc(NC(=O)NCCC[NH+](C)C)c2ccccc21 ZINC000005266021 170081255 /nfs/dbraw/zinc/08/12/55/170081255.db2.gz FVPYWAIWNCZQEI-UHFFFAOYSA-N 1 0 288.395 2.734 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000005346264 170088474 /nfs/dbraw/zinc/08/84/74/170088474.db2.gz SZSKDUNETSHZNC-ZDUSSCGKSA-N 1 0 289.354 2.521 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000005674539 170126706 /nfs/dbraw/zinc/12/67/06/170126706.db2.gz RKOIPCNLDUQOEU-UHFFFAOYSA-N 1 0 281.787 2.947 50 0 CFAARO CC[NH2+]CCCNC(=O)Nc1cccc2ccccc21 ZINC000005795379 170141039 /nfs/dbraw/zinc/14/10/39/170141039.db2.gz SWJCDLPGSARKTH-UHFFFAOYSA-N 1 0 271.364 2.961 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccccc2C=O)C1 ZINC000006701093 170229438 /nfs/dbraw/zinc/22/94/38/170229438.db2.gz ZTEAACLPCHETDX-ZIAGYGMSSA-N 1 0 261.365 2.856 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000006702448 170229854 /nfs/dbraw/zinc/22/98/54/170229854.db2.gz OEAFBQXHXIYMAR-HNNXBMFYSA-N 1 0 291.391 2.649 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccccc2CC)CC1 ZINC000006730381 170235320 /nfs/dbraw/zinc/23/53/20/170235320.db2.gz SXCFQYUNAVMYTF-UHFFFAOYSA-N 1 0 275.396 2.809 50 0 CFAARO Cc1ccc(COc2cccc(C[NH2+]CCO)c2)cc1 ZINC000006743377 170238582 /nfs/dbraw/zinc/23/85/82/170238582.db2.gz DEIGVWQFYYLWLF-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000006968318 170259648 /nfs/dbraw/zinc/25/96/48/170259648.db2.gz XAONJZAKHYIUSQ-GHMZBOCLSA-N 1 0 268.788 2.904 50 0 CFAARO C[C@@H]1C[C@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)[N@@H+]1C ZINC000007997682 170313185 /nfs/dbraw/zinc/31/31/85/170313185.db2.gz QSAVEGSLJISCDF-SNPRPXQTSA-N 1 0 291.391 2.525 50 0 in-man CFAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](C)O ZINC000008253431 170327159 /nfs/dbraw/zinc/32/71/59/170327159.db2.gz BRUZXBRYEPXIIA-QMMMGPOBSA-N 1 0 278.179 2.863 50 0 CFAARO COc1ccccc1NC1=NNC(=C2C=CC=[NH+]2)CS1 ZINC000008780440 170355465 /nfs/dbraw/zinc/35/54/65/170355465.db2.gz LKIDPILLZKHSIE-ZRDIBKRKSA-N 1 0 286.360 2.567 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCOc2cccc(C=O)c2)C1 ZINC000009261383 170369478 /nfs/dbraw/zinc/36/94/78/170369478.db2.gz XEHJICFNDYDDQD-KBPBESRZSA-N 1 0 261.365 2.856 50 0 CFAARO CC(C)(C)[NH2+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000009577642 170381645 /nfs/dbraw/zinc/38/16/45/170381645.db2.gz IFTYUXCOFDJVRZ-UHFFFAOYSA-N 1 0 258.724 2.806 50 0 CFAARO Brc1cccc(CSC2=[NH+]CCN2)c1 ZINC000009609912 170383166 /nfs/dbraw/zinc/38/31/66/170383166.db2.gz IHAPTQPZBBNKNX-UHFFFAOYSA-N 1 0 271.183 2.642 50 0 CFAARO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000012948698 170522628 /nfs/dbraw/zinc/52/26/28/170522628.db2.gz XZPFCXCJYDHNIP-UHFFFAOYSA-N 1 0 274.408 2.906 50 0 CFAARO Cc1c2ccccc2n(C[C@@H](O)C[NH3+])c1-c1ccccc1 ZINC000014001408 170615723 /nfs/dbraw/zinc/61/57/23/170615723.db2.gz OXSQDSQNXULEHA-HNNXBMFYSA-N 1 0 280.371 2.936 50 0 CFAARO FC(F)(F)Oc1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631524 170640538 /nfs/dbraw/zinc/64/05/38/170640538.db2.gz FVVPVNZUZAPYMN-UHFFFAOYSA-N 1 0 275.270 2.964 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000016400989 170696492 /nfs/dbraw/zinc/69/64/92/170696492.db2.gz HQBDFUGKTLJCSU-UHFFFAOYSA-N 1 0 266.772 2.556 50 0 CFAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc(O)c1 ZINC000020124421 171006681 /nfs/dbraw/zinc/00/66/81/171006681.db2.gz STEXYGTZPDZLQM-NSHDSACASA-N 1 0 271.316 2.972 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccnc1 ZINC000020137870 171025463 /nfs/dbraw/zinc/02/54/63/171025463.db2.gz AKOJXKXDJZTPTK-OCCSQVGLSA-N 1 0 270.332 2.572 50 0 CFAARO Cc1cc(Cl)cc(C)c1OCCCN1CC[NH2+]CC1 ZINC000020272429 171127221 /nfs/dbraw/zinc/12/72/21/171127221.db2.gz ZLSDYVJAOXJUDX-UHFFFAOYSA-N 1 0 282.815 2.631 50 0 CFAARO CCOC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000020281345 171132681 /nfs/dbraw/zinc/13/26/81/171132681.db2.gz OZHPKNRLWYTYHD-UHFFFAOYSA-N 1 0 261.365 2.852 50 0 CFAARO C1=C[C@H]2C[C@@H]1C[C@H]2c1nc(CCC[NH+]2CCCC2)no1 ZINC000020453401 171207959 /nfs/dbraw/zinc/20/79/59/171207959.db2.gz CJKXJUDNCMBBLA-HZSPNIEDSA-N 1 0 273.380 2.778 50 0 CFAARO Cc1cccc(C)c1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020458506 171209032 /nfs/dbraw/zinc/20/90/32/171209032.db2.gz QMSHNUMEWJZVDT-GASCZTMLSA-N 1 0 290.407 2.741 50 0 CFAARO CCn1nc(C)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000020535457 171240945 /nfs/dbraw/zinc/24/09/45/171240945.db2.gz ZJVGLWJKDLTTDF-INIZCTEOSA-N 1 0 290.455 2.580 50 0 CFAARO COC(=O)C[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000020577502 171256252 /nfs/dbraw/zinc/25/62/52/171256252.db2.gz FAOYZMMSUOXJNE-HNNXBMFYSA-N 1 0 255.317 2.917 50 0 CFAARO CC(=O)c1cccc(OCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020639231 171268810 /nfs/dbraw/zinc/26/88/10/171268810.db2.gz BOTQWJXDDAYMGN-KBPBESRZSA-N 1 0 291.391 2.767 50 0 CFAARO CCCCOc1cccc(OCCCN2CCOCC2)c1 ZINC000020653021 171268813 /nfs/dbraw/zinc/26/88/13/171268813.db2.gz XNAAAEJZYQFTFW-UHFFFAOYSA-N 1 0 293.407 2.967 50 0 CFAARO C[NH+](C)CCNc1ccc(-c2ccc(Cl)cc2)nn1 ZINC000020719190 171270328 /nfs/dbraw/zinc/27/03/28/171270328.db2.gz KGTUXISJTDVVTK-UHFFFAOYSA-N 1 0 276.771 2.771 50 0 CFAARO O=C(CCCN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000020792463 171272808 /nfs/dbraw/zinc/27/28/08/171272808.db2.gz PQLYZHNINGGVMB-MRXNPFEDSA-N 1 0 290.382 2.569 50 0 in-man CFAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928327 171280411 /nfs/dbraw/zinc/28/04/11/171280411.db2.gz UFMBCUQEXMJUDT-SECBINFHSA-N 1 0 278.179 2.863 50 0 CFAARO C[C@H](NC(=O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000020939198 171281311 /nfs/dbraw/zinc/28/13/11/171281311.db2.gz VFCYJPZELNIZTE-NSHDSACASA-N 1 0 282.334 2.628 50 0 CFAARO CC[NH+](CC)CCCn1c2c(c(=S)[nH]c1=O)CCC2 ZINC000021010917 171286581 /nfs/dbraw/zinc/28/65/81/171286581.db2.gz LXVOOAHUDPNJQB-UHFFFAOYSA-N 1 0 281.425 2.539 50 0 CFAARO CN1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000022045005 171350641 /nfs/dbraw/zinc/35/06/41/171350641.db2.gz QTZXULLYRHVPGU-UHFFFAOYSA-N 1 0 258.409 2.960 50 0 CFAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OC ZINC000022075962 171352100 /nfs/dbraw/zinc/35/21/00/171352100.db2.gz CXRKYOXHYHHBPN-OAHLLOKOSA-N 1 0 287.359 2.527 50 0 CFAARO CCOc1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000022075421 171352224 /nfs/dbraw/zinc/35/22/24/171352224.db2.gz JNIQOHWHQYIVOA-INIZCTEOSA-N 1 0 271.360 2.909 50 0 CFAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(C)CC1 ZINC000022455179 171388220 /nfs/dbraw/zinc/38/82/20/171388220.db2.gz ACGFNPWIRRMPMD-LBPRGKRZSA-N 1 0 286.341 2.884 50 0 CFAARO Cc1ccc(SCC(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000031852133 171650394 /nfs/dbraw/zinc/65/03/94/171650394.db2.gz UNEBRIDEAJLNOM-UHFFFAOYSA-N 1 0 292.448 2.640 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1cc2ccccc2o1 ZINC000035272295 172092650 /nfs/dbraw/zinc/09/26/50/172092650.db2.gz GXCXDHMZQPFFPX-GFCCVEGCSA-N 1 0 255.321 2.808 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)(C)C(F)F ZINC000657917295 414050165 /nfs/dbraw/zinc/05/01/65/414050165.db2.gz BYXZZPISZZQOBB-NWDGAFQWSA-N 1 0 298.381 2.715 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C(C)(C)C(F)F ZINC000657929448 414059858 /nfs/dbraw/zinc/05/98/58/414059858.db2.gz ZAGCOKVRVJHIPZ-PSASIEDQSA-N 1 0 257.328 2.536 50 0 CFAARO CSCc1ccc(C[NH2+][C@@H](C)Cn2cccn2)o1 ZINC000037320078 173120257 /nfs/dbraw/zinc/12/02/57/173120257.db2.gz IBPPQNQQSUGERQ-NSHDSACASA-N 1 0 265.382 2.517 50 0 CFAARO O=C(C[NH2+]C1CCCCCC1)NCc1ccccc1 ZINC000037387733 173170731 /nfs/dbraw/zinc/17/07/31/173170731.db2.gz SQTWFJDQZFNRLZ-UHFFFAOYSA-N 1 0 260.381 2.615 50 0 CFAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)C1CC[NH2+]CC1 ZINC000037808141 173750644 /nfs/dbraw/zinc/75/06/44/173750644.db2.gz MJZZVOILNILMQK-NSHDSACASA-N 1 0 280.799 2.859 50 0 CFAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037808149 173750791 /nfs/dbraw/zinc/75/07/91/173750791.db2.gz ZULWZSSTAOFZLW-RYUDHWBXSA-N 1 0 280.799 2.859 50 0 CFAARO OC[C@]1([NH2+]Cc2cccs2)CCOc2ccccc21 ZINC000038123542 174130481 /nfs/dbraw/zinc/13/04/81/174130481.db2.gz JGPJXZVOVUHEBT-OAHLLOKOSA-N 1 0 275.373 2.508 50 0 CFAARO CC(C)[NH+]1CCC(CNC(=O)Nc2cccs2)CC1 ZINC000038582656 174148482 /nfs/dbraw/zinc/14/84/82/174148482.db2.gz FIMFOGULQFEABU-UHFFFAOYSA-N 1 0 281.425 2.990 50 0 CFAARO CC1CC[NH+](CCCNC(=O)C2CCCCC2)CC1 ZINC000039985586 174181558 /nfs/dbraw/zinc/18/15/58/174181558.db2.gz OHJOJNWOLPFTOM-UHFFFAOYSA-N 1 0 266.429 2.805 50 0 CFAARO CCC[NH+](CCC)CC(=O)NC1CCCCCC1 ZINC000040007902 174182697 /nfs/dbraw/zinc/18/26/97/174182697.db2.gz SIBKXENPWWAEJM-UHFFFAOYSA-N 1 0 254.418 2.947 50 0 CFAARO C[N@H+](Cc1ccc(C(N)=O)cc1)C1CCCCCC1 ZINC000040023419 174183299 /nfs/dbraw/zinc/18/32/99/174183299.db2.gz PUARVAQGUHJZTM-UHFFFAOYSA-N 1 0 260.381 2.940 50 0 CFAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000040088356 174188654 /nfs/dbraw/zinc/18/86/54/174188654.db2.gz BKXVOJCURDETSW-LLVKDONJSA-N 1 0 293.798 2.946 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2c(C)oc(C)c2C)CC1 ZINC000040473788 174281935 /nfs/dbraw/zinc/28/19/35/174281935.db2.gz RBZGRVYVNHIQRC-UHFFFAOYSA-N 1 0 278.396 2.809 50 0 CFAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccnc1 ZINC000040510842 174304492 /nfs/dbraw/zinc/30/44/92/174304492.db2.gz QJPZGXPYGFVMPA-UHFFFAOYSA-N 1 0 295.386 2.607 50 0 CFAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000040513721 174306147 /nfs/dbraw/zinc/30/61/47/174306147.db2.gz QJLAVUKLVYVWGY-UHFFFAOYSA-N 1 0 294.358 2.770 50 0 CFAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCCO ZINC000040721046 174385441 /nfs/dbraw/zinc/38/54/41/174385441.db2.gz OLDSTSPGVJYZFO-UHFFFAOYSA-N 1 0 278.179 2.864 50 0 CFAARO C[NH2+]Cc1cc(Br)cc(OC)c1OC(C)C ZINC000040728505 174387880 /nfs/dbraw/zinc/38/78/80/174387880.db2.gz NRTLETCDXWMCHG-UHFFFAOYSA-N 1 0 288.185 2.964 50 0 CFAARO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OC(C)C ZINC000040743927 174391284 /nfs/dbraw/zinc/39/12/84/174391284.db2.gz OYXYMENWYNSOTO-SNVBAGLBSA-N 1 0 287.787 2.606 50 0 CFAARO Brc1cccc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043324239 175006558 /nfs/dbraw/zinc/00/65/58/175006558.db2.gz XYCSVEITIBYJMS-NSHDSACASA-N 1 0 255.159 2.613 50 0 CFAARO Brc1ccccc1-c1noc([C@H]2CCC[NH2+]2)n1 ZINC000043560579 175066618 /nfs/dbraw/zinc/06/66/18/175066618.db2.gz CWQGBRIQRGZEKN-SNVBAGLBSA-N 1 0 294.152 2.924 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000044866718 175267643 /nfs/dbraw/zinc/26/76/43/175267643.db2.gz LHIIWSZSBBRDDG-OLZOCXBDSA-N 1 0 269.410 2.500 50 0 CFAARO CC[NH+]1CCN(Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000044895373 175273748 /nfs/dbraw/zinc/27/37/48/175273748.db2.gz UPNVLSXVRUROHG-UHFFFAOYSA-N 1 0 285.391 2.788 50 0 CFAARO Cn1nc(C[NH2+]C2CCCC2)c(-c2ccccc2)n1 ZINC000045944734 175387280 /nfs/dbraw/zinc/38/72/80/175387280.db2.gz PYWZFLQYKNFWRO-UHFFFAOYSA-N 1 0 256.353 2.514 50 0 CFAARO CCC[NH2+]Cc1nn(CCC)nc1-c1ccccc1 ZINC000045944936 175387532 /nfs/dbraw/zinc/38/75/32/175387532.db2.gz VFSIKVHUTZXRHX-UHFFFAOYSA-N 1 0 258.369 2.855 50 0 CFAARO CCCn1cc(C[NH2+]CCN(C)C)c2ccccc21 ZINC000045946186 175387949 /nfs/dbraw/zinc/38/79/49/175387949.db2.gz BQLXNDXWZMPIGV-UHFFFAOYSA-N 1 0 259.397 2.703 50 0 CFAARO CCc1nc(C)c(C(=O)NCC[NH+](C(C)C)C(C)C)s1 ZINC000050554063 175516981 /nfs/dbraw/zinc/51/69/81/175516981.db2.gz RKSWRRMFGXKKNT-UHFFFAOYSA-N 1 0 297.468 2.863 50 0 CFAARO CC(C)c1noc([C@H](C)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000051952919 175527833 /nfs/dbraw/zinc/52/78/33/175527833.db2.gz KEEKJDWLOUSEEC-ZDUSSCGKSA-N 1 0 292.427 2.814 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CCS2)cc1Br ZINC000053993693 175552186 /nfs/dbraw/zinc/55/21/86/175552186.db2.gz BMDCPEXAUFLROZ-SNVBAGLBSA-N 1 0 274.183 2.793 50 0 CFAARO CC(C)Cn1cncc1C[NH2+]C1CCSCC1 ZINC000065527041 175746897 /nfs/dbraw/zinc/74/68/97/175746897.db2.gz LYBOWPGPDWRLRM-UHFFFAOYSA-N 1 0 253.415 2.524 50 0 CFAARO C[C@H](Cc1ccccc1F)[NH2+]CC1(CO)CCCC1 ZINC000065527968 175747653 /nfs/dbraw/zinc/74/76/53/175747653.db2.gz INFLXDZFCBISMS-CYBMUJFWSA-N 1 0 265.372 2.899 50 0 CFAARO C(=C/c1ccccc1)\CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000066156647 175755256 /nfs/dbraw/zinc/75/52/56/175755256.db2.gz FOOKWTGDDDQOCZ-NADMHLTPSA-N 1 0 256.393 2.870 50 0 CFAARO O=C(CCCc1cccs1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067773140 175790306 /nfs/dbraw/zinc/79/03/06/175790306.db2.gz FDVIVZZLNHUCKH-INIZCTEOSA-N 1 0 292.448 2.673 50 0 CFAARO C[C@H](c1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000069369938 175825051 /nfs/dbraw/zinc/82/50/51/175825051.db2.gz SNAWOHJDNNFVST-CQSZACIVSA-N 1 0 259.397 2.703 50 0 CFAARO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@@H](C)n1cccn1 ZINC000069417263 175828075 /nfs/dbraw/zinc/82/80/75/175828075.db2.gz KGHATYXIAXOYAS-ZIAGYGMSSA-N 1 0 283.375 2.898 50 0 CFAARO CC(C)[NH+]1CCN(CCSc2ccccc2F)CC1 ZINC000069970047 175865206 /nfs/dbraw/zinc/86/52/06/175865206.db2.gz SSEXIYDDEVRDHE-UHFFFAOYSA-N 1 0 282.428 2.944 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000071143677 176041193 /nfs/dbraw/zinc/04/11/93/176041193.db2.gz WPLPNVDBIQGRET-SECBINFHSA-N 1 0 287.190 2.675 50 0 CFAARO C[NH+]1CCC(CCNC(=O)CSc2ccccc2)CC1 ZINC000071375962 176141327 /nfs/dbraw/zinc/14/13/27/176141327.db2.gz CMLDDGZPRNQAMF-UHFFFAOYSA-N 1 0 292.448 2.627 50 0 CFAARO C[NH2+]CC(=O)N(C)Cc1sc2ccccc2c1Cl ZINC000071615085 176234401 /nfs/dbraw/zinc/23/44/01/176234401.db2.gz KMCDTZZHXSBMKX-UHFFFAOYSA-N 1 0 282.796 2.733 50 0 CFAARO CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071746484 176258350 /nfs/dbraw/zinc/25/83/50/176258350.db2.gz SAISRPOALMAIFK-INIZCTEOSA-N 1 0 292.398 2.905 50 0 CFAARO CCc1ccccc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071747255 176258816 /nfs/dbraw/zinc/25/88/16/176258816.db2.gz JRQZJHTUSKHMLO-UHFFFAOYSA-N 1 0 286.419 2.836 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000071825369 176271655 /nfs/dbraw/zinc/27/16/55/176271655.db2.gz IOFYETUVQLQDHF-VIFPVBQESA-N 1 0 281.306 2.553 50 0 CFAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000071837183 176274266 /nfs/dbraw/zinc/27/42/66/176274266.db2.gz GNWHVCRSLBLULS-SFHVURJKSA-N 1 0 299.418 2.578 50 0 CFAARO O=C(C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)N1CCC1 ZINC000071841188 176274633 /nfs/dbraw/zinc/27/46/33/176274633.db2.gz DSIFFDVZFFFYKE-UHFFFAOYSA-N 1 0 297.402 2.580 50 0 CFAARO CC[NH+]1CCC(N(C)C(=O)c2nccc3ccccc32)CC1 ZINC000071854853 176278203 /nfs/dbraw/zinc/27/82/03/176278203.db2.gz ASDYEFUBHBAOMO-UHFFFAOYSA-N 1 0 297.402 2.791 50 0 CFAARO CCOCC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000071904339 176295179 /nfs/dbraw/zinc/29/51/79/176295179.db2.gz ZLZNCFTYFORDSD-FQEVSTJZSA-N 1 0 295.448 2.543 50 0 CFAARO CCOC[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000071904861 176295435 /nfs/dbraw/zinc/29/54/35/176295435.db2.gz JHNOOEYTEMPGBU-SWLSCSKDSA-N 1 0 269.360 2.606 50 0 CFAARO CCOC(=O)CCCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000071916176 176299294 /nfs/dbraw/zinc/29/92/94/176299294.db2.gz CUGOMNAMCIAOIE-AWEZNQCLSA-N 1 0 264.369 2.885 50 0 CFAARO C[NH+](C)CC[C@H](OC(=O)C[C@@H]1CCCO1)c1ccccc1 ZINC000071922297 176300931 /nfs/dbraw/zinc/30/09/31/176300931.db2.gz QEKAGSQUOVXAEN-HOTGVXAUSA-N 1 0 291.391 2.792 50 0 CFAARO CN(Cc1ccncc1)C[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000072127413 176321066 /nfs/dbraw/zinc/32/10/66/176321066.db2.gz DNNIDYUUZSBACY-SFHVURJKSA-N 1 0 281.403 2.570 50 0 CFAARO Fc1ccc(OC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000072147355 176325499 /nfs/dbraw/zinc/32/54/99/176325499.db2.gz RHPYPUQCIVHQQU-CYBMUJFWSA-N 1 0 279.355 2.705 50 0 CFAARO C[N@H+](CCc1ccccn1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000072154518 176328160 /nfs/dbraw/zinc/32/81/60/176328160.db2.gz VVVHXTSAYOLNAD-FUHWJXTLSA-N 1 0 287.451 2.820 50 0 CFAARO C[NH+](C)[C@H]1CCCN(Cc2ccc(O)cc2Cl)CC1 ZINC000072157597 176329428 /nfs/dbraw/zinc/32/94/28/176329428.db2.gz QXMCFGNUEZHBMN-ZDUSSCGKSA-N 1 0 282.815 2.962 50 0 CFAARO Fc1cccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)c1 ZINC000072242440 176349078 /nfs/dbraw/zinc/34/90/78/176349078.db2.gz WQMLYKATFAYXSP-KRWDZBQOSA-N 1 0 296.349 2.948 50 0 CFAARO Nc1cc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)ncn1 ZINC000072409964 176398217 /nfs/dbraw/zinc/39/82/17/176398217.db2.gz ARLYWKHYFZEZTL-CQSZACIVSA-N 1 0 289.427 2.515 50 0 CFAARO CC(=O)N[C@@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1C(C)C ZINC000077340641 177254880 /nfs/dbraw/zinc/25/48/80/177254880.db2.gz SEHIYZPUBIMYMS-INHTXZAOSA-N 1 0 286.419 2.792 50 0 CFAARO CC(C)c1nc([C@H]2CCCN2CC[NH+]2CCCCC2)no1 ZINC000078824457 177394371 /nfs/dbraw/zinc/39/43/71/177394371.db2.gz DDTAGLMXVKWZRE-CQSZACIVSA-N 1 0 292.427 2.816 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccc(F)cc1Cl ZINC000827267961 782034167 /nfs/dbraw/zinc/03/41/67/782034167.db2.gz DMRUUUQIMAYOOH-LBPRGKRZSA-N 1 0 299.777 2.502 50 0 CFAARO CCOC(=O)[C@@H]1CC2(CCCCC2)[N@@H+]2CCC[C@H]12 ZINC000004343235 260014876 /nfs/dbraw/zinc/01/48/76/260014876.db2.gz DUXGYQFYWPNKJS-CHWSQXEVSA-N 1 0 251.370 2.737 50 0 CFAARO [NH3+][C@@H](Cc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000020551589 260119029 /nfs/dbraw/zinc/11/90/29/260119029.db2.gz FTJSLCMPIJYIHL-AWEZNQCLSA-N 1 0 265.316 2.979 50 0 CFAARO COc1ccc2c(c1)[nH]cc2[C@H](O)C[NH+]1CCC(C)CC1 ZINC000021793169 260122395 /nfs/dbraw/zinc/12/23/95/260122395.db2.gz STRRTSYABSODLA-QGZVFWFLSA-N 1 0 288.391 2.942 50 0 CFAARO Cc1ccc2[nH]cc([C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000021793087 260122451 /nfs/dbraw/zinc/12/24/51/260122451.db2.gz MEBZCVNGQAZSSM-MRXNPFEDSA-N 1 0 258.365 2.996 50 0 CFAARO CN(C(=O)[C@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000032755108 260145432 /nfs/dbraw/zinc/14/54/32/260145432.db2.gz NWYSNJXUOZXJQT-KRWDZBQOSA-N 1 0 286.419 2.659 50 0 CFAARO CNc1ccnc(N(C)Cc2cccc3cnccc32)n1 ZINC000065427043 260242982 /nfs/dbraw/zinc/24/29/82/260242982.db2.gz VLGZZMQRDARZHX-UHFFFAOYSA-N 1 0 279.347 2.703 50 0 CFAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000827778719 782042623 /nfs/dbraw/zinc/04/26/23/782042623.db2.gz QKZLIVLGIYGGDV-OAHLLOKOSA-N 1 0 288.391 2.648 50 0 CFAARO Cc1ccc2c(cccc2-c2nc3c([nH]2)C[NH2+]CC3)n1 ZINC000095375218 274781293 /nfs/dbraw/zinc/78/12/93/274781293.db2.gz WFPUEZDWLXLZSE-UHFFFAOYSA-N 1 0 264.332 2.579 50 0 CFAARO O=C1Nc2ccccc2CC[C@H]1[NH+]1CCCCCC1 ZINC000252483149 275025731 /nfs/dbraw/zinc/02/57/31/275025731.db2.gz DWBHRWYUFQMUGH-OAHLLOKOSA-N 1 0 258.365 2.816 50 0 CFAARO Brc1cccc(NN2CCCCC2)[nH+]1 ZINC000095081476 275373430 /nfs/dbraw/zinc/37/34/30/275373430.db2.gz JZVIRSNCGPVVJZ-UHFFFAOYSA-N 1 0 256.147 2.657 50 0 CFAARO CC(C)(C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C)C(N)=O ZINC000123683677 275549831 /nfs/dbraw/zinc/54/98/31/275549831.db2.gz GUZJPRLXYBUSRJ-KBPBESRZSA-N 1 0 274.408 2.670 50 0 CFAARO CC(C)C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000085132293 275896733 /nfs/dbraw/zinc/89/67/33/275896733.db2.gz ZWYYRMMZCRDBOP-GHMZBOCLSA-N 1 0 253.308 2.716 50 0 CFAARO CC[NH+](CC)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000001462672 276105251 /nfs/dbraw/zinc/10/52/51/276105251.db2.gz CPWJTPUSFGFSTB-MRXNPFEDSA-N 1 0 273.376 2.921 50 0 CFAARO CCOC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000000220176 276432570 /nfs/dbraw/zinc/43/25/70/276432570.db2.gz QBCQJPJOFYFCDG-UHFFFAOYSA-N 1 0 280.343 2.536 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000252585300 276510284 /nfs/dbraw/zinc/51/02/84/276510284.db2.gz HQLMPJHSIUFVEX-MELADBBJSA-N 1 0 284.469 2.650 50 0 CFAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000089948958 276622315 /nfs/dbraw/zinc/62/23/15/276622315.db2.gz PQCOJTULFLTGJK-AAEUAGOBSA-N 1 0 284.787 2.670 50 0 CFAARO C/C(=C/C(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000131189381 276823374 /nfs/dbraw/zinc/82/33/74/276823374.db2.gz ZASGJOHHYVRDOL-KUGGDMIFSA-N 1 0 276.355 2.569 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000095353866 277043003 /nfs/dbraw/zinc/04/30/03/277043003.db2.gz HJPSKPVHCPCDTR-GFCCVEGCSA-N 1 0 258.325 2.679 50 0 CFAARO CC(C)(C[NH2+][C@H]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000095984286 277303629 /nfs/dbraw/zinc/30/36/29/277303629.db2.gz OIUPOQKWMJDLBA-ZFWWWQNUSA-N 1 0 274.408 2.598 50 0 CFAARO COc1cc(C[C@@H]2CC(C)=CC[N@@H+]2C)cc(OC)c1OC ZINC000000387954 277378407 /nfs/dbraw/zinc/37/84/07/277378407.db2.gz TZHZEVMJGGQMTC-AWEZNQCLSA-N 1 0 291.391 2.905 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)[NH2+]CCCn1cccn1 ZINC000095419825 278220034 /nfs/dbraw/zinc/22/00/34/278220034.db2.gz QCULSYNJECUCPR-CYBMUJFWSA-N 1 0 261.344 2.633 50 0 CFAARO C[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000002867345 278304717 /nfs/dbraw/zinc/30/47/17/278304717.db2.gz CITBTXVQVHJQMK-SNVBAGLBSA-N 1 0 252.317 2.544 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(F)cc1Cl ZINC000063193577 278312350 /nfs/dbraw/zinc/31/23/50/278312350.db2.gz ZNRJIPQNWBCQKY-RNCFNFMXSA-N 1 0 284.762 2.821 50 0 CFAARO CC(C)(C)N1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070294137 278340574 /nfs/dbraw/zinc/34/05/74/278340574.db2.gz DXTIKWSWIMBCNY-WCQYABFASA-N 1 0 284.762 2.878 50 0 CFAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1=CCCCC1 ZINC000225478581 279121784 /nfs/dbraw/zinc/12/17/84/279121784.db2.gz DSZWWIIHECDBGW-CQSZACIVSA-N 1 0 252.402 2.579 50 0 CFAARO C[C@H]([NH3+])CC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261867799 279394853 /nfs/dbraw/zinc/39/48/53/279394853.db2.gz QIAISWIVAQWDLD-KBXCAEBGSA-N 1 0 286.419 2.620 50 0 CFAARO CC(C)[NH2+]C[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000125730039 279608508 /nfs/dbraw/zinc/60/85/08/279608508.db2.gz OOSYBHPKLURJSF-NWDGAFQWSA-N 1 0 286.416 2.745 50 0 CFAARO C[C@H]1CCc2sc(C(=O)NC3CC[NH+](C)CC3)cc2C1 ZINC000016605816 279777546 /nfs/dbraw/zinc/77/75/46/279777546.db2.gz ZKVIGGPZVKIWDJ-NSHDSACASA-N 1 0 292.448 2.697 50 0 CFAARO Cc1c2ccccc2sc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299742400 280274929 /nfs/dbraw/zinc/27/49/29/280274929.db2.gz HRINAXHIOSMQKC-LLVKDONJSA-N 1 0 274.389 2.773 50 0 CFAARO Cc1cc(CSC(N)=[NH2+])c(O)c(C(C)(C)C)n1 ZINC000022019057 280499196 /nfs/dbraw/zinc/49/91/96/280499196.db2.gz PIAGHSZNJTYZPY-UHFFFAOYSA-N 1 0 253.371 2.520 50 0 CFAARO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000078748942 280531028 /nfs/dbraw/zinc/53/10/28/280531028.db2.gz UMDFISOIFWLSKX-ZDUSSCGKSA-N 1 0 268.360 2.910 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C ZINC000247140761 281006357 /nfs/dbraw/zinc/00/63/57/281006357.db2.gz QWLFSMDGEIANED-UPJWGTAASA-N 1 0 262.401 2.844 50 0 CFAARO Cc1ccc2c(Cl)c(C)c(N3CC[NH+](C)CC3)nc2n1 ZINC000001016793 281047330 /nfs/dbraw/zinc/04/73/30/281047330.db2.gz SKBOIYAUGLLSEW-UHFFFAOYSA-N 1 0 290.798 2.652 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2c(Cl)cccc2Cl)C1 ZINC000255443172 281098771 /nfs/dbraw/zinc/09/87/71/281098771.db2.gz JYINMOAXPCPAOP-WBSSQXGSSA-N 1 0 285.174 2.566 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CC1 ZINC000001446363 281099009 /nfs/dbraw/zinc/09/90/09/281099009.db2.gz KJALNEGZZLQEGT-GOEBONIOSA-N 1 0 270.376 2.539 50 0 CFAARO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccnc(Cl)c1 ZINC000252517363 288299106 /nfs/dbraw/zinc/29/91/06/288299106.db2.gz GPMYXZOTTKBVSX-OCCSQVGLSA-N 1 0 279.815 2.794 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000004867881 281353406 /nfs/dbraw/zinc/35/34/06/281353406.db2.gz DTYLIISEVDGUQM-MRXNPFEDSA-N 1 0 277.408 2.999 50 0 CFAARO CN(C)C(=O)Cc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000072143170 281942330 /nfs/dbraw/zinc/94/23/30/281942330.db2.gz FIKGAKHSNWQUFO-UHFFFAOYSA-N 1 0 294.398 2.630 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000269288140 289779919 /nfs/dbraw/zinc/77/99/19/289779919.db2.gz SXUPTQXTIAZSII-YOENINGUSA-N 1 0 290.382 2.515 50 0 CFAARO C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@@H]1COc2ccccc21 ZINC000221936492 289974702 /nfs/dbraw/zinc/97/47/02/289974702.db2.gz HRTUBQLUPPGWLW-GUTXKFCHSA-N 1 0 259.349 2.833 50 0 CFAARO Cc1csc(N2CCCN(c3cc[nH+]cc3C)CC2)n1 ZINC000077484792 293034565 /nfs/dbraw/zinc/03/45/65/293034565.db2.gz TZNPCIWTALMOPC-UHFFFAOYSA-N 1 0 288.420 2.872 50 0 CFAARO [NH3+][C@@H]1CCCCN(C(=O)c2scc3c2CCCC3)C1 ZINC000082098337 295297036 /nfs/dbraw/zinc/29/70/36/295297036.db2.gz IJQYVBJPRXPEKN-GFCCVEGCSA-N 1 0 278.421 2.580 50 0 CFAARO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[S@@](C)=O ZINC000232126957 298440194 /nfs/dbraw/zinc/44/01/94/298440194.db2.gz MGQMONDQBXSRLZ-RRRJYUKSSA-N 1 0 285.375 2.854 50 0 CFAARO C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000252586271 298534950 /nfs/dbraw/zinc/53/49/50/298534950.db2.gz OPKQTCSVNAYIHM-DQYPLSBCSA-N 1 0 282.387 2.749 50 0 CFAARO C[C@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@@H]1[NH+](C)C ZINC000078895009 300105960 /nfs/dbraw/zinc/10/59/60/300105960.db2.gz RFDLDOFDKDXZGY-WFASDCNBSA-N 1 0 292.398 2.512 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1C ZINC000070176133 301946451 /nfs/dbraw/zinc/94/64/51/301946451.db2.gz HIVDYVYMGPONAZ-IUODEOHRSA-N 1 0 260.381 2.503 50 0 CFAARO Cc1ccccc1[C@@H](Cn1ccnc1-c1c[nH]cn1)[NH+](C)C ZINC000072470444 302129145 /nfs/dbraw/zinc/12/91/45/302129145.db2.gz DIGHAJRRMXJTSP-MRXNPFEDSA-N 1 0 295.390 2.885 50 0 CFAARO Cc1ccccc1[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1CC1 ZINC000252499416 302136939 /nfs/dbraw/zinc/13/69/39/302136939.db2.gz SAILRKHNPQLPLC-DOMZBBRYSA-N 1 0 260.381 2.512 50 0 CFAARO CCc1nc(CC[NH2+][C@H](C)CCn2ccnc2C)cs1 ZINC000534588827 328316873 /nfs/dbraw/zinc/31/68/73/328316873.db2.gz UJUYURIDVZQOSW-GFCCVEGCSA-N 1 0 292.452 2.821 50 0 CFAARO O=C(N[C@@H]1CCc2ccccc21)N1CC([NH+]2CCCCC2)C1 ZINC000534629711 328328509 /nfs/dbraw/zinc/32/85/09/328328509.db2.gz DLFLYUGATJORKU-QGZVFWFLSA-N 1 0 299.418 2.554 50 0 CFAARO O=C([C@@H]1CCC[NH2+]CC1)N1CC=C(c2ccccc2)CC1 ZINC000534633541 328332525 /nfs/dbraw/zinc/33/25/25/328332525.db2.gz OJGIGIMJHWFCLN-QGZVFWFLSA-N 1 0 284.403 2.692 50 0 CFAARO CC[NH+](CC)CC1(NC(=O)c2ccc(C)cc2OC)CC1 ZINC000534653774 328338485 /nfs/dbraw/zinc/33/84/85/328338485.db2.gz IVJCXQLZRKOGIX-UHFFFAOYSA-N 1 0 290.407 2.608 50 0 CFAARO Cc1nn(C[C@H](C)[NH2+]CC2(CO)CCCC2)c(C)c1Cl ZINC000534666915 328345700 /nfs/dbraw/zinc/34/57/00/328345700.db2.gz MVEQZMRBNKLSFT-NSHDSACASA-N 1 0 299.846 2.684 50 0 CFAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)C[C@@H]1CC1(F)F ZINC000534669355 328346696 /nfs/dbraw/zinc/34/66/96/328346696.db2.gz XSUPDTMTHQSCNL-GFCCVEGCSA-N 1 0 288.382 2.803 50 0 CFAARO O[C@H](CC1CCCC1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000188634239 324018760 /nfs/dbraw/zinc/01/87/60/324018760.db2.gz HRSZURBURQRCRR-GOSISDBHSA-N 1 0 288.435 2.750 50 0 CFAARO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCO[C@H](C)C1 ZINC000191986232 324056267 /nfs/dbraw/zinc/05/62/67/324056267.db2.gz VBFHZDZELVOTAN-OAHLLOKOSA-N 1 0 285.391 2.792 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573099 324109147 /nfs/dbraw/zinc/10/91/47/324109147.db2.gz PJWBEXXTLAOJEG-UKRRQHHQSA-N 1 0 292.398 2.729 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1nnc2ccccn21 ZINC000195568439 324109174 /nfs/dbraw/zinc/10/91/74/324109174.db2.gz AURXDHXIJGTNIW-UONOGXRCSA-N 1 0 270.380 2.811 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(c2nncn2C)CC1 ZINC000195575788 324109256 /nfs/dbraw/zinc/10/92/56/324109256.db2.gz XSPSGNDQEZXMNZ-GDBMZVCRSA-N 1 0 288.439 2.987 50 0 CFAARO C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000195573466 324109793 /nfs/dbraw/zinc/10/97/93/324109793.db2.gz BYKVKTSWYLABTG-CZIZLABSSA-N 1 0 273.829 2.800 50 0 CFAARO O=C(O[C@@H]1CC[NH2+][C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000004015791 326809157 /nfs/dbraw/zinc/80/91/57/326809157.db2.gz MHURPUBOKOVYBH-RRFJBIMHSA-N 1 0 259.349 2.764 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@H]([NH3+])C2 ZINC000095876166 327203395 /nfs/dbraw/zinc/20/33/95/327203395.db2.gz VFQDVULOICIHJT-SMDDNHRTSA-N 1 0 254.374 2.515 50 0 CFAARO CSC[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000096478000 329526764 /nfs/dbraw/zinc/52/67/64/329526764.db2.gz ALPJKBYTQKBDDT-UKRRQHHQSA-N 1 0 264.438 2.602 50 0 CFAARO C[C@@H](c1cccc(-c2cnc3ncnn3c2)c1)[NH+]1CCCC1 ZINC000426503452 534074289 /nfs/dbraw/zinc/07/42/89/534074289.db2.gz SUJQWURJWUJFGB-ZDUSSCGKSA-N 1 0 293.374 2.948 50 0 CFAARO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C)cc1C ZINC000244734350 522194248 /nfs/dbraw/zinc/19/42/48/522194248.db2.gz NDYMOTGQDAHZLB-RDJZCZTQSA-N 1 0 288.435 2.981 50 0 CFAARO Cc1cccc(/C=C/C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000156534841 524151097 /nfs/dbraw/zinc/15/10/97/524151097.db2.gz AZQDOYMMIVLFEW-RIEFBQKVSA-N 1 0 272.392 2.594 50 0 CFAARO C[C@@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@@H]1[NH+](C)C ZINC000078895007 524756359 /nfs/dbraw/zinc/75/63/59/524756359.db2.gz RFDLDOFDKDXZGY-DOMZBBRYSA-N 1 0 292.398 2.512 50 0 CFAARO Cc1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000055142209 524965578 /nfs/dbraw/zinc/96/55/78/524965578.db2.gz VTMYMZSVZFMNCZ-HNNXBMFYSA-N 1 0 262.422 2.623 50 0 CFAARO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000096477748 525452845 /nfs/dbraw/zinc/45/28/45/525452845.db2.gz YAZLRYMONBUHKV-ABAIWWIYSA-N 1 0 285.334 2.811 50 0 CFAARO Cc1ccsc1[C@@H](C)[NH2+]CCOC[C@@H]1CCCO1 ZINC000096477731 525868230 /nfs/dbraw/zinc/86/82/30/525868230.db2.gz PDCDRQRCVNTOGN-OLZOCXBDSA-N 1 0 269.410 2.903 50 0 CFAARO COc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1 ZINC000019871895 526030056 /nfs/dbraw/zinc/03/00/56/526030056.db2.gz MHEHZSWZFJUYMH-SUMWQHHRSA-N 1 0 271.360 2.907 50 0 CFAARO C[N@H+](C[C@H]1CCOC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000089340290 536451729 /nfs/dbraw/zinc/45/17/29/536451729.db2.gz HZKFRGIQKXTRFS-NVXWUHKLSA-N 1 0 274.408 2.624 50 0 CFAARO C([C@H]1CCC[N@@H+]1C[C@H]1CCCCO1)N1CCCCC1 ZINC000106765906 527493354 /nfs/dbraw/zinc/49/33/54/527493354.db2.gz JDBPKYNBHDYTNL-HZPDHXFCSA-N 1 0 266.429 2.506 50 0 CFAARO CC(C)[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(Cl)cc1F ZINC000096500933 528597222 /nfs/dbraw/zinc/59/72/22/528597222.db2.gz UXJPUTHOFIXKPC-QPUJVOFHSA-N 1 0 272.751 2.640 50 0 CFAARO CC(C)[C@@H]([NH2+][C@H](C)C(N)=O)c1ccc(Cl)cc1F ZINC000096500935 528598427 /nfs/dbraw/zinc/59/84/27/528598427.db2.gz UXJPUTHOFIXKPC-PRHODGIISA-N 1 0 272.751 2.640 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000096455609 529209405 /nfs/dbraw/zinc/20/94/05/529209405.db2.gz UZCMSMGTJXNRRK-LSDHHAIUSA-N 1 0 292.448 2.939 50 0 CFAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000096455614 529227086 /nfs/dbraw/zinc/22/70/86/529227086.db2.gz VKHHLZHPLWBIOO-KBPBESRZSA-N 1 0 269.410 2.926 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1cncn1C1CC1 ZINC000252494842 545529738 /nfs/dbraw/zinc/52/97/38/545529738.db2.gz OGJGMRBZADGORH-CQSZACIVSA-N 1 0 276.428 2.524 50 0 CFAARO CN1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000098020454 545572025 /nfs/dbraw/zinc/57/20/25/545572025.db2.gz SFKPDBAQGVQXRS-OAHLLOKOSA-N 1 0 260.381 2.584 50 0 CFAARO CC(C)=CC[NH+]1CCC(CNC(=O)C2CCCC2)CC1 ZINC000952986397 614288229 /nfs/dbraw/zinc/28/82/29/614288229.db2.gz FLINYZBCJMBMGD-UHFFFAOYSA-N 1 0 278.440 2.971 50 0 CFAARO CC(C)c1ccc(C[NH2+]CCN2CCCC[C@H]2CO)cc1 ZINC000952979639 614310402 /nfs/dbraw/zinc/31/04/02/614310402.db2.gz DTTRBNLPFBCUSP-SFHVURJKSA-N 1 0 290.451 2.746 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)[C@H]2CC2(C)C)CCCCC1 ZINC000952974472 614849964 /nfs/dbraw/zinc/84/99/64/614849964.db2.gz JMEBPJKHEASLQB-CYBMUJFWSA-N 1 0 266.429 2.803 50 0 CFAARO COC1(OC)CCOC[C@H]1CC[NH2+]Cc1ccccc1C ZINC000952994388 616478873 /nfs/dbraw/zinc/47/88/73/616478873.db2.gz ORAHCMUTLCYXSI-MRXNPFEDSA-N 1 0 293.407 2.500 50 0 CFAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000002498234 618172842 /nfs/dbraw/zinc/17/28/42/618172842.db2.gz HRYONARCMQWNRK-AAWPKVBNSA-N 1 0 264.413 2.876 50 0 CFAARO CCc1noc([C@H](C)N[C@@H](C)Cc2ccc(C)cn2)n1 ZINC000020209022 618801097 /nfs/dbraw/zinc/80/10/97/618801097.db2.gz QKDKHIIQWPMDNY-RYUDHWBXSA-N 1 0 274.368 2.617 50 0 CFAARO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@H]2CCOC2)s1 ZINC000183603265 625519980 /nfs/dbraw/zinc/51/99/80/625519980.db2.gz JMXNPNPWCIMZPL-SECBINFHSA-N 1 0 294.342 2.939 50 0 CFAARO Cc1cc(C)c2c(c1)OCC[C@H]2[NH2+]C1CCN(C)CC1 ZINC000089582696 623693069 /nfs/dbraw/zinc/69/30/69/623693069.db2.gz QUVNKBHPWSAEHA-OAHLLOKOSA-N 1 0 274.408 2.811 50 0 CFAARO Cc1ccc(-c2noc(C[C@@H]3CC[N@@H+](C)C3)n2)cc1F ZINC000874435448 624452514 /nfs/dbraw/zinc/45/25/14/624452514.db2.gz SRFGTOLRTIRRAV-NSHDSACASA-N 1 0 275.327 2.678 50 0 CFAARO COc1ccccc1-c1noc([C@@H]2C[C@H]2c2c[nH]cn2)n1 ZINC000874435527 624452659 /nfs/dbraw/zinc/45/26/59/624452659.db2.gz WSCDQZFQIOLNOZ-GHMZBOCLSA-N 1 0 282.303 2.739 50 0 CFAARO Cc1ccccc1C[NH+]1CCC(NC(=O)c2cc[nH]c2)CC1 ZINC000068285425 624987474 /nfs/dbraw/zinc/98/74/74/624987474.db2.gz ZDUNBIVZKZZQPY-UHFFFAOYSA-N 1 0 297.402 2.718 50 0 CFAARO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2C[C@@H]3COC[C@H]23)cc1OC ZINC000952992745 626121910 /nfs/dbraw/zinc/12/19/10/626121910.db2.gz ADDSHZNZHQEIAM-KOXOONSLSA-N 1 0 295.354 2.528 50 0 CFAARO Cc1nsc(NC[C@@H]2CCCC[C@H]2[NH+]2CCCC2)n1 ZINC000952992117 626122590 /nfs/dbraw/zinc/12/25/90/626122590.db2.gz ASKKBTGBHZRZIV-QWHCGFSZSA-N 1 0 280.441 2.913 50 0 CFAARO C[C@@H]1CC([C@@H]2CC[C@H](C(F)(F)F)NC2)C[C@@H](C)[NH2+]1 ZINC000757215504 630883999 /nfs/dbraw/zinc/88/39/99/630883999.db2.gz VNWPWQXZILJDAA-DNRKLUKYSA-N 1 0 264.335 2.694 50 0 CFAARO Cn1cc([C@@H](O)C[NH2+]C(C2CCCC2)C2CCCC2)cn1 ZINC000863984531 637832939 /nfs/dbraw/zinc/83/29/39/637832939.db2.gz WFCOCEIXWGVUMB-INIZCTEOSA-N 1 0 291.439 2.792 50 0 CFAARO C[C@H]([NH2+]CCCNC(=O)c1cccs1)C1(Cl)CC1 ZINC000863984661 637833105 /nfs/dbraw/zinc/83/31/05/637833105.db2.gz YADZWRHTWOKVCY-JTQLQIEISA-N 1 0 286.828 2.618 50 0 CFAARO C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090969 637872200 /nfs/dbraw/zinc/87/22/00/637872200.db2.gz HMXSKMMREFBLMP-OCCSQVGLSA-N 1 0 275.396 2.821 50 0 CFAARO Cc1ccoc1-c1nc(CCC[NH+]2CCCC2)no1 ZINC000019781874 641983538 /nfs/dbraw/zinc/98/35/38/641983538.db2.gz PMUFEAOSZGROSN-UHFFFAOYSA-N 1 0 261.325 2.666 50 0 CFAARO Cc1nnc([C@H](C)[NH2+]C2CCC3(CC3(F)F)CC2)[nH]1 ZINC000952963036 650790118 /nfs/dbraw/zinc/79/01/18/650790118.db2.gz BKIWKAQTIDQNGD-JNHNWMDNSA-N 1 0 270.327 2.732 50 0 CFAARO COc1ncc(C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000952968882 650790148 /nfs/dbraw/zinc/79/01/48/650790148.db2.gz OQMBONANIBVDMV-GOSISDBHSA-N 1 0 297.402 2.943 50 0 CFAARO CC(C)CO[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000091964245 650912989 /nfs/dbraw/zinc/91/29/89/650912989.db2.gz KRUYLBVWSCULDK-CQSZACIVSA-N 1 0 277.364 2.662 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]CCNc1ncccn1 ZINC000098009388 651059541 /nfs/dbraw/zinc/05/95/41/651059541.db2.gz BKVGUQAIIFIQTN-WYMLVPIESA-N 1 0 268.364 2.582 50 0 CFAARO COc1ccc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000216030446 645987124 /nfs/dbraw/zinc/98/71/24/645987124.db2.gz VXTXHRVTNMKRQZ-QGZVFWFLSA-N 1 0 297.402 2.579 50 0 CFAARO O=C(/C=C/c1cccs1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939351 647818621 /nfs/dbraw/zinc/81/86/21/647818621.db2.gz VTJCTCXNRSAVLY-BQYQJAHWSA-N 1 0 290.432 2.848 50 0 CFAARO C[C@](O)(C[NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000114508306 647826354 /nfs/dbraw/zinc/82/63/54/647826354.db2.gz HXSCQWJAKNTRBK-KRWDZBQOSA-N 1 0 281.359 2.560 50 0 CFAARO Cc1oncc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000129719604 647873815 /nfs/dbraw/zinc/87/38/15/647873815.db2.gz KXCSCONTAQLHCC-SECBINFHSA-N 1 0 260.293 2.563 50 0 CFAARO C[C@H](O)C[NH+](Cc1cccc(Cl)c1Cl)C[C@H](C)O ZINC000000757488 651113629 /nfs/dbraw/zinc/11/36/29/651113629.db2.gz PFJLXTCPXDZCLR-UWVGGRQHSA-N 1 0 292.206 2.557 50 0 CFAARO c1cnn(CC[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019146983 651287762 /nfs/dbraw/zinc/28/77/62/651287762.db2.gz JVZYUCVVIYVKLF-AWEZNQCLSA-N 1 0 295.390 2.639 50 0 CFAARO Cc1cccc(OCCCC[NH+]2CCOCC2)c1C ZINC000019595493 651291250 /nfs/dbraw/zinc/29/12/50/651291250.db2.gz ORHHNPOIXRLFFP-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO c1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc3c1OCO3)CO2 ZINC000019771247 651293471 /nfs/dbraw/zinc/29/34/71/651293471.db2.gz QNBFZWTWYZWFPL-CQSZACIVSA-N 1 0 283.327 2.509 50 0 CFAARO CC(C)(C)CN1CC[N@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020234290 651297371 /nfs/dbraw/zinc/29/73/71/651297371.db2.gz OGYSBXYIQUDCJG-KRWDZBQOSA-N 1 0 296.499 2.981 50 0 CFAARO O=C(c1ccnc2ccccc21)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000192389281 777790184 /nfs/dbraw/zinc/79/01/84/777790184.db2.gz RECZXHUHNRYKHU-ZDUSSCGKSA-N 1 0 295.386 2.591 50 0 CFAARO CC[C@H](C)[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1F ZINC000032598357 779077350 /nfs/dbraw/zinc/07/73/50/779077350.db2.gz JGTSOQPIOLOPRK-YWPYICTPSA-N 1 0 253.361 2.753 50 0 CFAARO CC[C@@H](C(=O)N(CC)C1CCCCC1)[N@H+](C)CC ZINC000822542433 781903348 /nfs/dbraw/zinc/90/33/48/781903348.db2.gz JUAOCSPETZLVIA-AWEZNQCLSA-N 1 0 254.418 2.898 50 0 CFAARO CC[C@H](C(=O)NCCc1ccccc1Cl)[N@H+](C)CC ZINC000822555061 781904130 /nfs/dbraw/zinc/90/41/30/781904130.db2.gz AYOQIGLSDONSQT-CQSZACIVSA-N 1 0 282.815 2.729 50 0 CFAARO O=C1CCCCN1CC1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000098015969 230391083 /nfs/dbraw/zinc/39/10/83/230391083.db2.gz GKPJMXNMVUUIDF-INIZCTEOSA-N 1 0 276.424 2.820 50 0 CFAARO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3CC3)cc2)C1 ZINC000096443926 230373952 /nfs/dbraw/zinc/37/39/52/230373952.db2.gz IRBVDAURLUNLRJ-ZDUSSCGKSA-N 1 0 288.391 2.756 50 0 CFAARO O=c1ccccn1CCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000096476770 230379862 /nfs/dbraw/zinc/37/98/62/230379862.db2.gz RNFKBLOCAGIUPP-SFHVURJKSA-N 1 0 296.414 2.776 50 0 CFAARO C[C@H](c1ccccn1)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000195547968 230396367 /nfs/dbraw/zinc/39/63/67/230396367.db2.gz VNRSHCIVJBTVTG-MLGOLLRUSA-N 1 0 274.339 2.947 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)s1 ZINC000095968054 185046791 /nfs/dbraw/zinc/04/67/91/185046791.db2.gz JGDWDAMGKLPJSA-QWHCGFSZSA-N 1 0 269.410 2.903 50 0 CFAARO COc1cccc([C@H](O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000095967878 185046844 /nfs/dbraw/zinc/04/68/44/185046844.db2.gz IICSTOJMYOHCES-HUUCEWRRSA-N 1 0 293.407 2.664 50 0 CFAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095968460 185047094 /nfs/dbraw/zinc/04/70/94/185047094.db2.gz PAGNXIWMYKSZRW-MNOVXSKESA-N 1 0 255.431 2.991 50 0 CFAARO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCOC2)cc1F ZINC000095969052 185047880 /nfs/dbraw/zinc/04/78/80/185047880.db2.gz GANPCTVYBJTDBX-SMDDNHRTSA-N 1 0 289.354 2.759 50 0 CFAARO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc2ccccc2o1 ZINC000095968891 185048018 /nfs/dbraw/zinc/04/80/18/185048018.db2.gz PICXNDSKXGUIJX-XHDPSFHLSA-N 1 0 277.389 2.951 50 0 CFAARO Cc1ccc(CN(C)C(=O)[C@H]([NH3+])Cc2ccccc2)s1 ZINC000095971111 185048660 /nfs/dbraw/zinc/04/86/60/185048660.db2.gz NOFJWMKVPFDMQY-OAHLLOKOSA-N 1 0 288.416 2.585 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(CO)c1)CC2 ZINC000095973568 185049195 /nfs/dbraw/zinc/04/91/95/185049195.db2.gz AKWMETGMAOQMEU-SFHVURJKSA-N 1 0 297.398 2.835 50 0 CFAARO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccc(-c2ccncc2)cc1 ZINC000095985741 185055242 /nfs/dbraw/zinc/05/52/42/185055242.db2.gz SOUCPGLBKUHVKL-CYBMUJFWSA-N 1 0 295.386 2.678 50 0 CFAARO C[C@H]([NH2+]CCn1ccnc1)c1cccc(F)c1F ZINC000095986038 185056276 /nfs/dbraw/zinc/05/62/76/185056276.db2.gz CDRAITWTFHBQQE-JTQLQIEISA-N 1 0 251.280 2.512 50 0 CFAARO CC(C)[NH2+]C1CCN(CCC(=O)c2ccccc2)CC1 ZINC000095992544 185059210 /nfs/dbraw/zinc/05/92/10/185059210.db2.gz PTHBNHZROHYLAY-UHFFFAOYSA-N 1 0 274.408 2.722 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCSC2)c(N2CCCC2)n1 ZINC000096004788 185062762 /nfs/dbraw/zinc/06/27/62/185062762.db2.gz BTERJELCJMZLED-AWEZNQCLSA-N 1 0 277.437 2.585 50 0 CFAARO c1cc(CCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccn1 ZINC000096012980 185065897 /nfs/dbraw/zinc/06/58/97/185065897.db2.gz MEAAZDSNLDEZHR-QGZVFWFLSA-N 1 0 283.375 2.563 50 0 CFAARO COc1ccccc1Cc1cnc([C@H]2CCC[NH2+]C2)o1 ZINC000096032177 185067720 /nfs/dbraw/zinc/06/77/20/185067720.db2.gz XWCXBBZZYZAGBY-ZDUSSCGKSA-N 1 0 272.348 2.741 50 0 CFAARO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000127767626 187331975 /nfs/dbraw/zinc/33/19/75/187331975.db2.gz TYQMRLKSWOCFHX-YUMQZZPRSA-N 1 0 276.149 2.620 50 0 CFAARO COc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)c2ccccc2n1 ZINC000124828650 187156282 /nfs/dbraw/zinc/15/62/82/187156282.db2.gz CKOOAPUVYVKUTI-OLZOCXBDSA-N 1 0 286.375 2.758 50 0 CFAARO CCC[C@]1(CC(=O)NCCC[NH+](C)C)CCOC(C)(C)C1 ZINC000096114343 185101247 /nfs/dbraw/zinc/10/12/47/185101247.db2.gz WQHWELFQQHQAAA-QGZVFWFLSA-N 1 0 298.471 2.820 50 0 CFAARO CC[C@H](C)[C@H](CO)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000097015222 185152333 /nfs/dbraw/zinc/15/23/33/185152333.db2.gz SDLAOADDEYIHDV-GWCFXTLKSA-N 1 0 268.426 2.907 50 0 CFAARO CC(C)(C)c1ccc(C2(C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000097019585 185152754 /nfs/dbraw/zinc/15/27/54/185152754.db2.gz OPONZPURDUELKG-OAHLLOKOSA-N 1 0 286.419 2.575 50 0 CFAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000097033775 185156050 /nfs/dbraw/zinc/15/60/50/185156050.db2.gz JYYNKKXZFLITAG-HZSPNIEDSA-N 1 0 298.427 2.543 50 0 CFAARO COC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000097033299 185156062 /nfs/dbraw/zinc/15/60/62/185156062.db2.gz DTKBIWAEPPDIGI-ABAIWWIYSA-N 1 0 285.334 2.669 50 0 CFAARO C[C@@H]1CCCN(C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000097033524 185156673 /nfs/dbraw/zinc/15/66/73/185156673.db2.gz YSADCKGSIPYHEY-CYBMUJFWSA-N 1 0 290.382 2.663 50 0 CFAARO COc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1SC ZINC000068806586 346870999 /nfs/dbraw/zinc/87/09/99/346870999.db2.gz KFGBLAMQSKLDNG-ZDUSSCGKSA-N 1 0 281.421 2.764 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2CC)o1 ZINC000069624056 346897420 /nfs/dbraw/zinc/89/74/20/346897420.db2.gz CIVVQHRXKYUSAJ-HUUCEWRRSA-N 1 0 290.407 2.931 50 0 CFAARO O=C1N2CC[NH2+]C[C@@H]2[C@H](c2ccccc2)N1C1CCCCC1 ZINC000072233680 346924148 /nfs/dbraw/zinc/92/41/48/346924148.db2.gz GGNMCQFOVFNIOU-SJORKVTESA-N 1 0 299.418 2.770 50 0 CFAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000128052826 187348459 /nfs/dbraw/zinc/34/84/59/187348459.db2.gz DJTALOJVMYTTGH-MBNYWOFBSA-N 1 0 279.380 2.922 50 0 CFAARO C[N@H+](CCCn1ccnc1)Cc1nc2ccc(F)cc2o1 ZINC000096490569 529899083 /nfs/dbraw/zinc/89/90/83/529899083.db2.gz RUSQUNXJIWPBDZ-UHFFFAOYSA-N 1 0 288.326 2.686 50 0 CFAARO Cc1nc(C)c(C)c(N(C)CC[C@H](C)[NH+]2CCCC2)n1 ZINC000095369729 293225593 /nfs/dbraw/zinc/22/55/93/293225593.db2.gz APQUGBJJEATAJA-LBPRGKRZSA-N 1 0 276.428 2.712 50 0 CFAARO C[NH2+]CCCOc1ccc(C)cc1Br ZINC000002845037 529972008 /nfs/dbraw/zinc/97/20/08/529972008.db2.gz UGVKCUMJVUFRSN-UHFFFAOYSA-N 1 0 258.159 2.746 50 0 CFAARO CCc1cc(C[NH2+][C@@H]2CCN([C@@H](C)c3ccccc3)C2)[nH]n1 ZINC000075093202 347054580 /nfs/dbraw/zinc/05/45/80/347054580.db2.gz MUXRBSDRRBQCPV-WMLDXEAASA-N 1 0 298.434 2.897 50 0 CFAARO C[C@H]1OCC[C@@H]1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000097038514 185510022 /nfs/dbraw/zinc/51/00/22/185510022.db2.gz AVASIWACPVZONV-PBHICJAKSA-N 1 0 274.408 2.914 50 0 CFAARO C[C@@H](CC(=O)N(C)C)[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000097113398 185538458 /nfs/dbraw/zinc/53/84/58/185538458.db2.gz SEUFAEBMAXGKPZ-HNNXBMFYSA-N 1 0 288.435 2.998 50 0 CFAARO C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc3ccccc3n2)C1 ZINC000076060685 539484613 /nfs/dbraw/zinc/48/46/13/539484613.db2.gz HUKDKOACZCPEDE-CYBMUJFWSA-N 1 0 269.348 2.515 50 0 CFAARO CC[C@H]1C[N@H+](CCn2cncn2)CC[C@@H]1c1ccccc1 ZINC000084736443 178923546 /nfs/dbraw/zinc/92/35/46/178923546.db2.gz LZQBVWKWBCVNTA-RDJZCZTQSA-N 1 0 284.407 2.794 50 0 CFAARO CC[NH2+]C[C@@H](O)c1cccc(OC(=O)c2ccccc2C)c1 ZINC000002944422 346206887 /nfs/dbraw/zinc/20/68/87/346206887.db2.gz WDASUJRHAMQBAQ-QGZVFWFLSA-N 1 0 299.370 2.857 50 0 CFAARO CCc1cccc(NC(=O)OC2CC[NH+](C)CC2)c1 ZINC000005197387 346211128 /nfs/dbraw/zinc/21/11/28/346211128.db2.gz YFEKIUXPHSKZOX-UHFFFAOYSA-N 1 0 262.353 2.892 50 0 CFAARO COc1cc(OC)c(/C=C\c2cccc[n+]2C)c(OC)c1 ZINC000005341293 346211468 /nfs/dbraw/zinc/21/14/68/346211468.db2.gz ROBVNVVECNXMLW-HJWRWDBZSA-N 1 0 286.351 2.707 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCCO2)o1 ZINC000038096390 346336631 /nfs/dbraw/zinc/33/66/31/346336631.db2.gz HGQLNBKDPOSLKX-CYBMUJFWSA-N 1 0 275.352 2.637 50 0 CFAARO CC[NH+](CC)CCOC(=O)Nc1ccccc1C ZINC000038172067 346338128 /nfs/dbraw/zinc/33/81/28/346338128.db2.gz BGKFNZJAOMFLBE-UHFFFAOYSA-N 1 0 250.342 2.885 50 0 CFAARO Cc1cc(Cl)cc(C)c1OCCC[NH+]1CCN(C)CC1 ZINC000039425367 346343407 /nfs/dbraw/zinc/34/34/07/346343407.db2.gz UPYZRJMWLLEZOD-UHFFFAOYSA-N 1 0 296.842 2.973 50 0 CFAARO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H]2CCCO[C@@H]21 ZINC000085671088 179111207 /nfs/dbraw/zinc/11/12/07/179111207.db2.gz VDNVGQSYVUISIU-WQVCFCJDSA-N 1 0 289.375 2.709 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2C)C12CCCC2 ZINC000085680213 179113435 /nfs/dbraw/zinc/11/34/35/179113435.db2.gz SHFPYOSGOXFGHU-ZIAGYGMSSA-N 1 0 263.385 2.546 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCN(C)C2)c(Cl)c1OC ZINC000083877854 347454492 /nfs/dbraw/zinc/45/44/92/347454492.db2.gz UWDAGIAYGPSMFJ-GFCCVEGCSA-N 1 0 298.814 2.541 50 0 CFAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000084736328 347470069 /nfs/dbraw/zinc/47/00/69/347470069.db2.gz ARXAIHWOFVIZCM-CJNGLKHVSA-N 1 0 290.407 2.715 50 0 CFAARO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000086255208 179256349 /nfs/dbraw/zinc/25/63/49/179256349.db2.gz QHIMJXBACVRNJN-ZIAGYGMSSA-N 1 0 293.411 2.798 50 0 CFAARO CC(C)(C)[NH2+]CCOCc1nc(-c2ccccc2)no1 ZINC000096026993 347700406 /nfs/dbraw/zinc/70/04/06/347700406.db2.gz PWWIVJNKBVVRNZ-UHFFFAOYSA-N 1 0 275.352 2.641 50 0 CFAARO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H](O)c2ccc(F)cc2)C1 ZINC000096477796 347702170 /nfs/dbraw/zinc/70/21/70/347702170.db2.gz SJWDMGQGTMSJTA-OQUILHJVSA-N 1 0 294.414 2.566 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(-n2ccnn2)cc1 ZINC000097370940 347708307 /nfs/dbraw/zinc/70/83/07/347708307.db2.gz ISFSMCCWUUFHNZ-OCCSQVGLSA-N 1 0 288.420 2.814 50 0 CFAARO OC[C@@H]([NH2+][C@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000097370884 347708423 /nfs/dbraw/zinc/70/84/23/347708423.db2.gz NUDRFJSQIBPVKI-JOYOIKCWSA-N 1 0 291.338 2.623 50 0 CFAARO Cc1cccc(C2CC([NH2+]C[C@@]3(CCO)CCOC3)C2)c1 ZINC000097373015 347708709 /nfs/dbraw/zinc/70/87/09/347708709.db2.gz GSWTVVGZSXSSIN-DAWZGUTISA-N 1 0 289.419 2.620 50 0 CFAARO c1cc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cs1 ZINC000110708072 347749556 /nfs/dbraw/zinc/74/95/56/347749556.db2.gz JSXNHWYWNMBTCY-BFHYXJOUSA-N 1 0 263.406 2.838 50 0 CFAARO CN1CC[C@@H](C[NH2+][C@H]2CCSC2)c2ccccc21 ZINC000110709497 347749706 /nfs/dbraw/zinc/74/97/06/347749706.db2.gz MANVLYJMQPELGV-STQMWFEESA-N 1 0 262.422 2.705 50 0 CFAARO Cc1nnc(CCC[N@@H+](C)[C@H]2CCCC[C@@H]2C)o1 ZINC000120010393 347805295 /nfs/dbraw/zinc/80/52/95/347805295.db2.gz QCUFXDALUKBVLR-AAEUAGOBSA-N 1 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ICNPIXKVYANYPE-NSHDSACASA-N 1 0 272.751 2.656 50 0 CFAARO CCCCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000170595410 348054929 /nfs/dbraw/zinc/05/49/29/348054929.db2.gz LREAMVOATQIAJB-MCIONIFRSA-N 1 0 252.402 2.604 50 0 CFAARO CC[C@@H](CO)[NH2+]CCCc1ccc(OC(F)(F)F)cc1 ZINC000170616099 348057525 /nfs/dbraw/zinc/05/75/25/348057525.db2.gz KBNLUPLOHIYHQN-LBPRGKRZSA-N 1 0 291.313 2.878 50 0 CFAARO CC1(CC[NH2+][C@@H](c2ccccc2)c2ccccn2)OCCO1 ZINC000183907412 348126782 /nfs/dbraw/zinc/12/67/82/348126782.db2.gz ABOYJZSYLLLCBJ-KRWDZBQOSA-N 1 0 298.386 2.914 50 0 CFAARO COC[C@](C)(NCc1cccnc1OC)c1ccccc1 ZINC000193522563 348142892 /nfs/dbraw/zinc/14/28/92/348142892.db2.gz ZWVBCRQBJUPIKY-KRWDZBQOSA-N 1 0 286.375 2.742 50 0 CFAARO COc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)ccc1O ZINC000194975018 348145186 /nfs/dbraw/zinc/14/51/86/348145186.db2.gz YVKCVJXREGYMHJ-WDEREUQCSA-N 1 0 267.394 2.727 50 0 CFAARO O=C1OCC[C@@H]1CC[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000195570170 348146902 /nfs/dbraw/zinc/14/69/02/348146902.db2.gz PQRXQGCHNNGNSM-DCAQKATOSA-N 1 0 279.302 2.650 50 0 CFAARO CNC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccsc1 ZINC000225545491 348178386 /nfs/dbraw/zinc/17/83/86/348178386.db2.gz WUJWOAHHEDHFAI-RAIGVLPGSA-N 1 0 266.410 2.704 50 0 CFAARO C[C@@H](C[N@@H+]1CCC[C@H](CC(N)=O)C1)c1ccc(F)cc1 ZINC000215652122 348162913 /nfs/dbraw/zinc/16/29/13/348162913.db2.gz JBNMCQKSYZBRLO-QWHCGFSZSA-N 1 0 278.371 2.517 50 0 CFAARO C[C@@H](C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc(F)cc1 ZINC000230469703 348206146 /nfs/dbraw/zinc/20/61/46/348206146.db2.gz HOTWVCPWLUFHAV-UONOGXRCSA-N 1 0 292.398 2.907 50 0 CFAARO C[C@H](C[NH2+][C@@H](C)c1cccs1)N1CCOC[C@H]1C ZINC000245344182 348252051 /nfs/dbraw/zinc/25/20/51/348252051.db2.gz XYDYLJZWLYICQG-UPJWGTAASA-N 1 0 268.426 2.508 50 0 CFAARO CN1CC[C@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC000584884367 348726291 /nfs/dbraw/zinc/72/62/91/348726291.db2.gz HDDDADWSBOUWOE-AWEZNQCLSA-N 1 0 293.842 2.603 50 0 CFAARO CCc1nccn1C[C@H](C)[N@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888427 348728081 /nfs/dbraw/zinc/72/80/81/348728081.db2.gz LQQODAVKSSNJCH-HNNXBMFYSA-N 1 0 286.423 2.978 50 0 CFAARO Clc1ccc2[nH]c(CCC[NH2+][C@H]3CCCOC3)nc2c1 ZINC000584894379 348729874 /nfs/dbraw/zinc/72/98/74/348729874.db2.gz FMZJJSFOKYVUOX-LBPRGKRZSA-N 1 0 293.798 2.918 50 0 CFAARO CC[C@@H](C[NH+](C)C)n1cnc2c(C)cc(Cl)cc2c1=O ZINC000584894040 348729945 /nfs/dbraw/zinc/72/99/45/348729945.db2.gz NAMRCHDILWJULG-LBPRGKRZSA-N 1 0 293.798 2.871 50 0 CFAARO CC[C@@H](C[NH+](C)C)n1cnc2c(C)cc(C)cc2c1=O ZINC000584900764 348731723 /nfs/dbraw/zinc/73/17/23/348731723.db2.gz JXXOISLRDXBWFQ-ZDUSSCGKSA-N 1 0 273.380 2.526 50 0 CFAARO CC(C)OCC1CC[NH+](C2CSCCSC2)CC1 ZINC000584900959 348733171 /nfs/dbraw/zinc/73/31/71/348733171.db2.gz KMKYTLFNVYXIOR-UHFFFAOYSA-N 1 0 289.510 2.972 50 0 CFAARO CCOCC[NH2+][C@H](C)c1cccc(Br)n1 ZINC000585134641 348735439 /nfs/dbraw/zinc/73/54/39/348735439.db2.gz DGSJMRPNYNFHSZ-SECBINFHSA-N 1 0 273.174 2.531 50 0 CFAARO Cc1csc(CN2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000585140420 348736177 /nfs/dbraw/zinc/73/61/77/348736177.db2.gz DOEDMACOHIWBNZ-UHFFFAOYSA-N 1 0 288.420 2.559 50 0 CFAARO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc2ccccc21 ZINC000090848554 180045686 /nfs/dbraw/zinc/04/56/86/180045686.db2.gz JMXSMOZLJJTOBQ-CXAGYDPISA-N 1 0 271.360 2.642 50 0 CFAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000090848998 180045697 /nfs/dbraw/zinc/04/56/97/180045697.db2.gz YPGOSIAGXNUHLW-MLGOLLRUSA-N 1 0 275.348 2.543 50 0 CFAARO C[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911690 180063279 /nfs/dbraw/zinc/06/32/79/180063279.db2.gz DZBPNPOHHXTWNR-YRGRVCCFSA-N 1 0 287.363 2.607 50 0 CFAARO COCCC[C@@]1(CO)CCC[N@H+](CCc2ccccc2)C1 ZINC000091255585 180114705 /nfs/dbraw/zinc/11/47/05/180114705.db2.gz IWJNSUGYSXTJAH-SFHVURJKSA-N 1 0 291.435 2.730 50 0 CFAARO O=C(OCc1ccccc1)N1CCC[C@]2(CCC[NH2+]2)C1 ZINC000091302502 180129291 /nfs/dbraw/zinc/12/92/91/180129291.db2.gz RNYKXNHOUZKSHQ-MRXNPFEDSA-N 1 0 274.364 2.541 50 0 CFAARO Cc1cnc(N)nc1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000091305861 180131408 /nfs/dbraw/zinc/13/14/08/180131408.db2.gz VEFYFUZLXJSZGV-HNNXBMFYSA-N 1 0 297.406 2.616 50 0 CFAARO CCC[C@H]1CN(C(=O)c2cccc(Cl)c2F)C[C@@H]1[NH3+] ZINC000091390847 180144883 /nfs/dbraw/zinc/14/48/83/180144883.db2.gz NRPGUKYYKBMHPQ-CABZTGNLSA-N 1 0 284.762 2.679 50 0 CFAARO CCc1ccccc1C[N@@H+]1CCC[C@@](CO)(CCOC)C1 ZINC000091504501 180176072 /nfs/dbraw/zinc/17/60/72/180176072.db2.gz CWWJRFCKPQEBIG-GOSISDBHSA-N 1 0 291.435 2.860 50 0 CFAARO Cn1ncnc1-c1cccc(C[NH+]2CCCCCC2)c1 ZINC000091519322 180177606 /nfs/dbraw/zinc/17/76/06/180177606.db2.gz UGERORAMISSZQB-UHFFFAOYSA-N 1 0 270.380 2.858 50 0 CFAARO c1cc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)ncn1 ZINC000091535066 180182385 /nfs/dbraw/zinc/18/23/85/180182385.db2.gz HVNNLFREMGZNPY-CYBMUJFWSA-N 1 0 260.385 2.543 50 0 CFAARO C[C@@]1(c2ccccc2)CCC(=O)N(CC2CC[NH2+]CC2)C1 ZINC000091536153 180182513 /nfs/dbraw/zinc/18/25/13/180182513.db2.gz PADJSIXXLMJUPM-GOSISDBHSA-N 1 0 286.419 2.566 50 0 CFAARO Cc1cccc(CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C2CC2)c1 ZINC000091545909 180186199 /nfs/dbraw/zinc/18/61/99/180186199.db2.gz QEQREERQSJFVOG-CABCVRRESA-N 1 0 272.392 2.613 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091546763 180187439 /nfs/dbraw/zinc/18/74/39/180187439.db2.gz DWCYFNLCZPETNG-WOPDTQHZSA-N 1 0 280.799 2.987 50 0 CFAARO CCC[NH+](CCC)[C@@H](C)c1nc(-c2cccnn2)no1 ZINC000091548313 180188453 /nfs/dbraw/zinc/18/84/53/180188453.db2.gz KFKMJMYKWGKQFG-NSHDSACASA-N 1 0 275.356 2.710 50 0 CFAARO CC[C@@]1(CO)CCC[N@H+](CCOc2ccccc2)C1 ZINC000091780661 180252682 /nfs/dbraw/zinc/25/26/82/180252682.db2.gz IZLXUCZUYVIOOE-MRXNPFEDSA-N 1 0 263.381 2.550 50 0 CFAARO CCn1nc(C)c(CN2C[C@H]([NH+](C)C)[C@@H](C(C)C)C2)c1C ZINC000091997384 180302794 /nfs/dbraw/zinc/30/27/94/180302794.db2.gz MNCABZONLVQGAD-WBVHZDCISA-N 1 0 292.471 2.538 50 0 CFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@H]1CC[N@H+](C)C1 ZINC000092099623 180324795 /nfs/dbraw/zinc/32/47/95/180324795.db2.gz JRLUQRPWACECHI-AWEZNQCLSA-N 1 0 299.418 2.869 50 0 CFAARO Cc1ccccc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000106136186 186104262 /nfs/dbraw/zinc/10/42/62/186104262.db2.gz PFWVYWRZNIIWRJ-HIFRSBDPSA-N 1 0 274.408 2.845 50 0 CFAARO COc1ccc(CNC2CC[NH+](C)CC2)c(Cl)c1OC ZINC000106366645 186110392 /nfs/dbraw/zinc/11/03/92/186110392.db2.gz VGGHMTVYRKTKLL-UHFFFAOYSA-N 1 0 298.814 2.541 50 0 CFAARO CCc1cc(C[NH2+][C@H]2CCN([C@H](C)c3ccccc3)C2)[nH]n1 ZINC000107068710 186158993 /nfs/dbraw/zinc/15/89/93/186158993.db2.gz MUXRBSDRRBQCPV-PBHICJAKSA-N 1 0 298.434 2.897 50 0 CFAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1cnc(C)cn1 ZINC000107145227 186160613 /nfs/dbraw/zinc/16/06/13/186160613.db2.gz VNIICUPKSUMGCH-QWHCGFSZSA-N 1 0 251.399 2.501 50 0 CFAARO CCOC(=O)c1ccc(Oc2ncccc2C[NH3+])cc1 ZINC000601014833 350645551 /nfs/dbraw/zinc/64/55/51/350645551.db2.gz YQNUFSYQGHRFRM-UHFFFAOYSA-N 1 0 272.304 2.509 50 0 CFAARO [NH3+][C@@H]1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)C1 ZINC000606442098 351270269 /nfs/dbraw/zinc/27/02/69/351270269.db2.gz PWOJVMWJJGSWLP-UMCURTJPSA-N 1 0 285.174 2.566 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)C1 ZINC000606441840 351270275 /nfs/dbraw/zinc/27/02/75/351270275.db2.gz MUAYERPIBZMMKC-LWTINBJPSA-N 1 0 299.201 2.814 50 0 CFAARO COc1ccccc1/C=C\CNCC[C@@H](C)[NH+](C)C ZINC000606444625 351270991 /nfs/dbraw/zinc/27/09/91/351270991.db2.gz LKHGZHWJNCVCFP-IUCKJTJTSA-N 1 0 262.397 2.638 50 0 CFAARO CC1(C)CC(NC(=O)Nc2ccc(F)cn2)CC(C)(C)[NH2+]1 ZINC000123172095 187075719 /nfs/dbraw/zinc/07/57/19/187075719.db2.gz PCERRFYQCHKXJF-UHFFFAOYSA-N 1 0 294.374 2.651 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000122560872 187038329 /nfs/dbraw/zinc/03/83/29/187038329.db2.gz NBBPRCLVZCFWIG-VIIAAUOXSA-N 1 0 278.783 2.564 50 0 CFAARO C[C@](O)(C[NH2+]C[C@@H]1CC=CCC1)c1ccsc1 ZINC000123477174 187094665 /nfs/dbraw/zinc/09/46/65/187094665.db2.gz DWGZOIBEXMTOAZ-OCCSQVGLSA-N 1 0 251.395 2.902 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](O)c1ccncc1 ZINC000152651710 188035104 /nfs/dbraw/zinc/03/51/04/188035104.db2.gz VTBMCCSRFGDGMH-BPUTZDHNSA-N 1 0 260.381 2.697 50 0 CFAARO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CC[NH2+]1 ZINC000155005982 188176440 /nfs/dbraw/zinc/17/64/40/188176440.db2.gz OQUBBZDNNUBMIQ-SSDOTTSWSA-N 1 0 291.153 2.566 50 0 CFAARO CCCOc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157793461 188339414 /nfs/dbraw/zinc/33/94/14/188339414.db2.gz HYSQFIFSCPCZKV-GFCCVEGCSA-N 1 0 296.798 2.692 50 0 CFAARO O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000158858960 188397079 /nfs/dbraw/zinc/39/70/79/188397079.db2.gz ZLNONUMWSJZFIV-GOSISDBHSA-N 1 0 294.398 2.622 50 0 CFAARO FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000004593485 282925200 /nfs/dbraw/zinc/92/52/00/282925200.db2.gz QMVUFIUACWHVEH-NSHDSACASA-N 1 0 259.271 2.974 50 0 CFAARO C[N@H+](CC(=O)Nc1cccc(N2CCCC2)c1)C1CCC1 ZINC000629950331 354959328 /nfs/dbraw/zinc/95/93/28/354959328.db2.gz KTKFUFORORJJJV-UHFFFAOYSA-N 1 0 287.407 2.710 50 0 CFAARO c1cnn(C2CC([NH2+]CCCNc3ccccc3)C2)c1 ZINC000630061495 354994234 /nfs/dbraw/zinc/99/42/34/354994234.db2.gz YOZNINWTKVWKMT-UHFFFAOYSA-N 1 0 270.380 2.678 50 0 CFAARO CC(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000083815614 540184591 /nfs/dbraw/zinc/18/45/91/540184591.db2.gz UXNZQUHQVXKMPC-LBPRGKRZSA-N 1 0 283.318 2.740 50 0 CFAARO Fc1ccccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083408193 540179365 /nfs/dbraw/zinc/17/93/65/540179365.db2.gz JWBNHWCFNNUJPR-INIZCTEOSA-N 1 0 293.382 2.986 50 0 CFAARO CC(=O)Nc1cccc(C[NH2+]Cc2cccc3c[nH]nc32)c1 ZINC000084014775 540192013 /nfs/dbraw/zinc/19/20/13/540192013.db2.gz PRKQYRHQUVFBKE-UHFFFAOYSA-N 1 0 294.358 2.811 50 0 CFAARO CCC[NH+]1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000084755329 540207808 /nfs/dbraw/zinc/20/78/08/540207808.db2.gz JGDBAUXKDODYDV-UHFFFAOYSA-N 1 0 284.407 2.535 50 0 CFAARO O=C(NCC1CC1)C1([NH2+]Cc2ccccc2)CCCC1 ZINC000085937325 540237269 /nfs/dbraw/zinc/23/72/69/540237269.db2.gz HBGVBWFZRXLXPH-UHFFFAOYSA-N 1 0 272.392 2.615 50 0 CFAARO Brc1ccc2c(c1)C[NH2+]CC1(CCC1)O2 ZINC000667393671 540284142 /nfs/dbraw/zinc/28/41/42/540284142.db2.gz MZUVXFVRURIJCV-UHFFFAOYSA-N 1 0 268.154 2.854 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000575599858 540342097 /nfs/dbraw/zinc/34/20/97/540342097.db2.gz RARGVNNUZLSYKM-BPLDGKMQSA-N 1 0 276.380 2.819 50 0 CFAARO CC(C)[C@@H]([NH2+]CCn1ccnc1)c1ccc2c(c1)CCO2 ZINC000091264086 540392739 /nfs/dbraw/zinc/39/27/39/540392739.db2.gz VMXJGTBPHDEWSM-QGZVFWFLSA-N 1 0 285.391 2.805 50 0 CFAARO CC(C)[C@@H]([NH2+]Cc1ccnn1C)c1ccc2c(c1)CCO2 ZINC000091284392 540392884 /nfs/dbraw/zinc/39/28/84/540392884.db2.gz HZXWXIDJVYKTBN-QGZVFWFLSA-N 1 0 285.391 2.842 50 0 CFAARO Cc1nc(C)c(C(=O)Nc2c[nH+]ccc2N2CCCC2)o1 ZINC000170011841 540551074 /nfs/dbraw/zinc/55/10/74/540551074.db2.gz MZFJLHBRWJNOER-UHFFFAOYSA-N 1 0 286.335 2.539 50 0 CFAARO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000177741745 189066974 /nfs/dbraw/zinc/06/69/74/189066974.db2.gz VUULXVYUDRWFAC-CYBMUJFWSA-N 1 0 278.783 2.569 50 0 CFAARO CCc1nc2n(n1)CCC[C@H]2[NH2+]C1CCC(C)CC1 ZINC000095423695 540724451 /nfs/dbraw/zinc/72/44/51/540724451.db2.gz BXWSOVMQJJRSHR-WXRRBKDZSA-N 1 0 262.401 2.844 50 0 CFAARO CC1(C)CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)C1 ZINC000096013595 540726778 /nfs/dbraw/zinc/72/67/78/540726778.db2.gz JNWUIPRLSBWYKX-KBPBESRZSA-N 1 0 264.413 2.556 50 0 CFAARO CN1C[C@@H]([NH2+][C@H]2CCCSc3ccccc32)CCC1=O ZINC000089374908 540717913 /nfs/dbraw/zinc/71/79/13/540717913.db2.gz QBTZOLBIOYGTKE-JSGCOSHPSA-N 1 0 290.432 2.824 50 0 CFAARO Cc1nc(C)c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)s1 ZINC000089559232 540718746 /nfs/dbraw/zinc/71/87/46/540718746.db2.gz ADUNKYULLPFIHX-ZFWWWQNUSA-N 1 0 274.389 2.508 50 0 CFAARO CC[C@@H]1c2ccsc2CCN1C(=O)CC1([NH3+])CCC1 ZINC000094294563 540723483 /nfs/dbraw/zinc/72/34/83/540723483.db2.gz AAOYDFWLMCQTSY-GFCCVEGCSA-N 1 0 278.421 2.855 50 0 CFAARO CCOCc1cccc(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000252484063 540745843 /nfs/dbraw/zinc/74/58/43/540745843.db2.gz 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ZINC000180984689 189285611 /nfs/dbraw/zinc/28/56/11/189285611.db2.gz NGGSMGMMGQCNPX-HNNXBMFYSA-N 1 0 281.371 2.656 50 0 CFAARO Cn1c(CCC[NH2+][C@H]2CCSC2)nc2ccccc21 ZINC000181021032 189286558 /nfs/dbraw/zinc/28/65/58/189286558.db2.gz MIWKPHMGKUMGFV-LBPRGKRZSA-N 1 0 275.421 2.601 50 0 CFAARO Cc1nc(C)c(C(=O)N(C)Cc2ccc3c(c2)C[N@@H+](C)C3)o1 ZINC000823806236 781938309 /nfs/dbraw/zinc/93/83/09/781938309.db2.gz FLCHPJKTOVFRRE-UHFFFAOYSA-N 1 0 299.374 2.509 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1cccc(O)c1 ZINC000183795211 189368372 /nfs/dbraw/zinc/36/83/72/189368372.db2.gz XOSUMGNGDIMREY-QWHCGFSZSA-N 1 0 259.353 2.718 50 0 CFAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc2ccccc2n1 ZINC000183582249 189363072 /nfs/dbraw/zinc/36/30/72/189363072.db2.gz KSLIHBGGXMILRT-VNHYZAJKSA-N 1 0 268.360 2.822 50 0 CFAARO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000188449515 189502928 /nfs/dbraw/zinc/50/29/28/189502928.db2.gz MWWHHDZPULCMKS-SJORKVTESA-N 1 0 284.407 2.768 50 0 CFAARO CC(C)(CCO)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000195546052 189678731 /nfs/dbraw/zinc/67/87/31/189678731.db2.gz DMMOBECFORLOIH-UHFFFAOYSA-N 1 0 259.752 2.977 50 0 CFAARO Cc1ccc(C[NH2+]CC2(CO)CCOCC2)cc1Cl ZINC000195448249 189676215 /nfs/dbraw/zinc/67/62/15/189676215.db2.gz RUTUTFMVBXBGNH-UHFFFAOYSA-N 1 0 283.799 2.527 50 0 CFAARO [NH3+]C1CC(c2cc(NC3(C4CCCC4)CC3)ncn2)C1 ZINC000220717690 189724248 /nfs/dbraw/zinc/72/42/48/189724248.db2.gz MTWMVLXFAARWTL-UHFFFAOYSA-N 1 0 272.396 2.816 50 0 CFAARO CCCn1nc2c(c1C)[C@@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244873516 284132860 /nfs/dbraw/zinc/13/28/60/284132860.db2.gz WRLBSHBGRVKPPU-FRRDWIJNSA-N 1 0 290.411 2.545 50 0 CFAARO CNC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000230166314 189806958 /nfs/dbraw/zinc/80/69/58/189806958.db2.gz MUMVJEOVVMZBOW-RDJZCZTQSA-N 1 0 272.392 2.524 50 0 CFAARO COc1ccc(OC)c(C[N@H+](C)CCc2ccccn2)c1 ZINC000000200575 371556204 /nfs/dbraw/zinc/55/62/04/371556204.db2.gz CKLVJTDAVQSQRW-UHFFFAOYSA-N 1 0 286.375 2.773 50 0 CFAARO Cc1ccc(N(CC2=[NH+]CCN2)c2cccc(O)c2)cc1 ZINC000000020251 371509449 /nfs/dbraw/zinc/50/94/49/371509449.db2.gz MRBDMNSDAVCSSF-UHFFFAOYSA-N 1 0 281.359 2.840 50 0 fda CFAARO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccco2)c1C ZINC000000034369 371512625 /nfs/dbraw/zinc/51/26/25/371512625.db2.gz IJZQTXIYJQIRAN-UHFFFAOYSA-N 1 0 276.336 2.691 50 0 CFAARO O[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000000199270 371556696 /nfs/dbraw/zinc/55/66/96/371556696.db2.gz HVRYXSKVRXPHNJ-NSHDSACASA-N 1 0 259.271 2.662 50 0 CFAARO O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000000093229 371528169 /nfs/dbraw/zinc/52/81/69/371528169.db2.gz YOXSBUBHYQJYRR-ZDUSSCGKSA-N 1 0 292.766 2.504 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000000148459 371543043 /nfs/dbraw/zinc/54/30/43/371543043.db2.gz NHACOWTVVOXNHN-UHFFFAOYSA-N 1 0 286.375 2.943 50 0 CFAARO CC[C@@H](C(=O)O[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000000192648 371554183 /nfs/dbraw/zinc/55/41/83/371554183.db2.gz KUILOHHBEIBAET-CVEARBPZSA-N 1 0 273.376 2.818 50 0 CFAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000000211735 371559558 /nfs/dbraw/zinc/55/95/58/371559558.db2.gz LYEUTTLOUGQRTB-LBPRGKRZSA-N 1 0 284.197 2.796 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000000214430 371560900 /nfs/dbraw/zinc/56/09/00/371560900.db2.gz NCTQOYKZQROFFX-AWEZNQCLSA-N 1 0 278.396 2.668 50 0 CFAARO Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000000234857 371562540 /nfs/dbraw/zinc/56/25/40/371562540.db2.gz ZIIMWQZHHUGSFL-INIZCTEOSA-N 1 0 277.408 2.837 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000238332 371563833 /nfs/dbraw/zinc/56/38/33/371563833.db2.gz AMKUTZRLOAXXMQ-CYBMUJFWSA-N 1 0 265.328 2.601 50 0 CFAARO CN(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000000240146 371565745 /nfs/dbraw/zinc/56/57/45/371565745.db2.gz YYVXLKZUGITOCC-UHFFFAOYSA-N 1 0 297.240 2.975 50 0 CFAARO CCOc1ccccc1CN(C)C1CC[NH+](C)CC1 ZINC000000240661 371566321 /nfs/dbraw/zinc/56/63/21/371566321.db2.gz MVNRRVUWVKJOHU-UHFFFAOYSA-N 1 0 262.397 2.611 50 0 CFAARO COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1O ZINC000000239818 371566580 /nfs/dbraw/zinc/56/65/80/371566580.db2.gz BENCJXKELSLPQJ-UHFFFAOYSA-N 1 0 269.344 2.959 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000000243700 371566715 /nfs/dbraw/zinc/56/67/15/371566715.db2.gz DJXVUKSGMPSAOZ-MRXNPFEDSA-N 1 0 275.392 2.894 50 0 CFAARO O=C(c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000000239704 371566830 /nfs/dbraw/zinc/56/68/30/371566830.db2.gz VLZIFWVTKGRZIY-UHFFFAOYSA-N 1 0 276.355 2.526 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2OC)cc1OC ZINC000000293336 371580054 /nfs/dbraw/zinc/58/00/54/371580054.db2.gz FKLFVYLEEONXDY-KGLIPLIRSA-N 1 0 279.380 2.751 50 0 CFAARO C[N@H+](C[C@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000000307940 371584694 /nfs/dbraw/zinc/58/46/94/371584694.db2.gz YUKPBDFINAGLRT-HNNXBMFYSA-N 1 0 281.371 2.830 50 0 CFAARO C[C@@H]1CC[C@@H](COC(=O)CN2CCCC2)[C@@H](C)C1 ZINC000000522756 371633456 /nfs/dbraw/zinc/63/34/56/371633456.db2.gz TUWFNZHZUSMXEP-RDBSUJKOSA-N 1 0 253.386 2.698 50 0 CFAARO O=C(C[NH+]1CCCC1)Nc1cccc2ccccc21 ZINC000000530315 371635679 /nfs/dbraw/zinc/63/56/79/371635679.db2.gz DJQVEJZWWMGLEI-UHFFFAOYSA-N 1 0 254.333 2.874 50 0 CFAARO C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000000576126 371641829 /nfs/dbraw/zinc/64/18/29/371641829.db2.gz GXATYTAAZYUIDJ-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO C[N@@H+]1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000000977219 371654942 /nfs/dbraw/zinc/65/49/42/371654942.db2.gz TVRFABREAYQAQA-IEBWSBKVSA-N 1 0 295.382 2.709 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)C[C@@H]1C ZINC000001087483 371662203 /nfs/dbraw/zinc/66/22/03/371662203.db2.gz UVAZQQHAVMNMHE-XJKSGUPXSA-N 1 0 261.365 2.807 50 0 world CFAARO CC[NH+](CC)CCOC(=O)/C=C/c1ccccc1OC ZINC000001754416 371705084 /nfs/dbraw/zinc/70/50/84/371705084.db2.gz PFTZBOOUWCIBBH-ZHACJKMWSA-N 1 0 277.364 2.593 50 0 CFAARO COc1ccc2c(C[NH+]3CCCCC3)cc(=O)oc2c1 ZINC000002119581 371716905 /nfs/dbraw/zinc/71/69/05/371716905.db2.gz MVEBUQZAMDFAAK-UHFFFAOYSA-N 1 0 273.332 2.788 50 0 CFAARO CC1CC[NH+](CCOCCOc2ccccc2F)CC1 ZINC000002190777 371720653 /nfs/dbraw/zinc/72/06/53/371720653.db2.gz BLNNGEDBACYFJQ-UHFFFAOYSA-N 1 0 281.371 2.953 50 0 CFAARO CC(C)=CCC/C(C)=C/C[N@@H+](C[C@@H](C)O)C[C@H](C)O ZINC000002464046 371728603 /nfs/dbraw/zinc/72/86/03/371728603.db2.gz RZZINQFSDGIYIW-SZWOSNRGSA-N 1 0 269.429 2.743 50 0 CFAARO CC(C)CC[C@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000002638543 371742971 /nfs/dbraw/zinc/74/29/71/371742971.db2.gz JQQDZROAGUYIFI-KBPBESRZSA-N 1 0 269.385 2.571 50 0 CFAARO O[C@@H](C[NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000002643649 371744524 /nfs/dbraw/zinc/74/45/24/371744524.db2.gz DIDHEXCSDODNKO-HNNXBMFYSA-N 1 0 275.323 2.528 50 0 CFAARO COc1ccccc1[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000237225852 189869504 /nfs/dbraw/zinc/86/95/04/189869504.db2.gz FGTHWKYPPKQROV-SWLSCSKDSA-N 1 0 290.407 2.508 50 0 CFAARO CCc1cccc(OC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000002651167 371745249 /nfs/dbraw/zinc/74/52/49/371745249.db2.gz KEDSNNKIEXCGDK-MRXNPFEDSA-N 1 0 277.408 2.721 50 0 CFAARO C[C@@H](O)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000002880813 371762619 /nfs/dbraw/zinc/76/26/19/371762619.db2.gz WGROJIRSFGNJDF-CQSZACIVSA-N 1 0 271.360 2.703 50 0 CFAARO COCC[NH2+]CCOc1cccc(Cl)c1Cl ZINC000002931061 371764671 /nfs/dbraw/zinc/76/46/71/371764671.db2.gz OTRLOGVNDIVFBP-UHFFFAOYSA-N 1 0 264.152 2.608 50 0 CFAARO C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000003349684 371792689 /nfs/dbraw/zinc/79/26/89/371792689.db2.gz RWFPJRZIZVBLPO-UHFFFAOYSA-N 1 0 263.772 2.921 50 0 CFAARO Cc1cccc(C(C)(C)C)c1OCCC[NH2+]CCO ZINC000003003314 371768908 /nfs/dbraw/zinc/76/89/08/371768908.db2.gz DWVZSBQJVCBOPR-UHFFFAOYSA-N 1 0 265.397 2.643 50 0 CFAARO C[N@H+](C[C@@H](O)COCc1ccccc1F)C1CCCCC1 ZINC000003179352 371777173 /nfs/dbraw/zinc/77/71/73/371777173.db2.gz BSICEDXWGRDIRH-MRXNPFEDSA-N 1 0 295.398 2.968 50 0 CFAARO C[N@H+](C[C@@H](O)COCc1cccs1)C1CCCCC1 ZINC000003241755 371783422 /nfs/dbraw/zinc/78/34/22/371783422.db2.gz OEOHZDIFLMOPMO-CQSZACIVSA-N 1 0 283.437 2.890 50 0 CFAARO Cc1sc2ncnc(N(C)C3CC[NH+](C)CC3)c2c1C ZINC000003264346 371785011 /nfs/dbraw/zinc/78/50/11/371785011.db2.gz JZFMZKWJKNVHSU-UHFFFAOYSA-N 1 0 290.436 2.839 50 0 CFAARO CCCC[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000004105187 371832640 /nfs/dbraw/zinc/83/26/40/371832640.db2.gz RWHFAMLHBCFRGK-GOSISDBHSA-N 1 0 290.451 2.792 50 0 CFAARO CCCC[N@H+](C)CCOCCOc1ccccc1 ZINC000003461167 371802463 /nfs/dbraw/zinc/80/24/63/371802463.db2.gz QCRMEFWCEOCIEZ-UHFFFAOYSA-N 1 0 251.370 2.814 50 0 CFAARO CCCCOc1ccc(C(=O)O[C@@H](C)C[NH+](C)C)cc1 ZINC000003647701 371814110 /nfs/dbraw/zinc/81/41/10/371814110.db2.gz CRQHRCJDUWKZHW-ZDUSSCGKSA-N 1 0 279.380 2.972 50 0 CFAARO [NH3+]CCNc1ncnc2scc(-c3ccccc3)c21 ZINC000004299566 371847151 /nfs/dbraw/zinc/84/71/51/371847151.db2.gz MCFWVXGQIGJYOG-UHFFFAOYSA-N 1 0 270.361 2.729 50 0 CFAARO CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000004538981 371862061 /nfs/dbraw/zinc/86/20/61/371862061.db2.gz UVHJNPYNZHESLT-UHFFFAOYSA-N 1 0 257.337 2.969 50 0 CFAARO CCCC[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000004679648 371871442 /nfs/dbraw/zinc/87/14/42/371871442.db2.gz LXWFMMZBGPQRAS-UHFFFAOYSA-N 1 0 267.369 2.944 50 0 CFAARO CC[C@H](C)NC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004679882 371873810 /nfs/dbraw/zinc/87/38/10/371873810.db2.gz QGBTZMJGDNJAFG-LSDHHAIUSA-N 1 0 278.440 2.969 50 0 CFAARO COc1ccc2c(C)cc(N3CCC[N@H+](C)CC3)nc2c1 ZINC000004996825 371878150 /nfs/dbraw/zinc/87/81/50/371878150.db2.gz HUQNEFYWZNSUAL-UHFFFAOYSA-N 1 0 285.391 2.694 50 0 CFAARO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000004135248 371836728 /nfs/dbraw/zinc/83/67/28/371836728.db2.gz GCHIHZIMIPPUGG-JKSUJKDBSA-N 1 0 277.408 2.918 50 0 CFAARO CC(C)(C)OC(=O)n1cc(CC[NH3+])c2ccccc21 ZINC000004202571 371840870 /nfs/dbraw/zinc/84/08/70/371840870.db2.gz MOJFEUODIYFJEI-UHFFFAOYSA-N 1 0 260.337 2.926 50 0 CFAARO CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000011961772 371937842 /nfs/dbraw/zinc/93/78/42/371937842.db2.gz ORSZYUZYPIHRAN-KRWDZBQOSA-N 1 0 282.387 2.605 50 0 CFAARO CC1CC[NH+](CC(=O)Nc2cccc3ncccc32)CC1 ZINC000011725854 371927242 /nfs/dbraw/zinc/92/72/42/371927242.db2.gz GLPIMWBWZBRGBF-UHFFFAOYSA-N 1 0 283.375 2.905 50 0 CFAARO CC(C)(CO)C[N@@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000012432527 371962234 /nfs/dbraw/zinc/96/22/34/371962234.db2.gz KXBPOCNAXRGOLG-HNNXBMFYSA-N 1 0 280.387 2.721 50 0 CFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000012572259 371976262 /nfs/dbraw/zinc/97/62/62/371976262.db2.gz RVFSVTXQEJTPFC-MRXNPFEDSA-N 1 0 298.386 2.717 50 0 CFAARO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012947669 372002863 /nfs/dbraw/zinc/00/28/63/372002863.db2.gz NDLWUYTVHYZWBI-UHFFFAOYSA-N 1 0 260.381 2.598 50 0 CFAARO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000012854514 371990234 /nfs/dbraw/zinc/99/02/34/371990234.db2.gz NRQAMHXFBSPETA-UHFFFAOYSA-N 1 0 287.334 2.929 50 0 CFAARO CCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012887932 371994543 /nfs/dbraw/zinc/99/45/43/371994543.db2.gz NWPKMFJXWHOSCM-UHFFFAOYSA-N 1 0 280.799 2.831 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C(C)(C)C)c1ccsc1 ZINC000012348684 371953188 /nfs/dbraw/zinc/95/31/88/371953188.db2.gz XPRGONZMQWSCQJ-LLVKDONJSA-N 1 0 254.399 2.513 50 0 CFAARO CC(C)Oc1ccc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)cc1 ZINC000012382750 371957057 /nfs/dbraw/zinc/95/70/57/371957057.db2.gz LDEBHZYOXTUQCH-NIFLVVHWSA-N 1 0 273.376 2.901 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1 ZINC000013510420 372029680 /nfs/dbraw/zinc/02/96/80/372029680.db2.gz RMVNPEWAEINXLO-RBSFLKMASA-N 1 0 263.381 2.689 50 0 CFAARO CSc1ccc(C[NH2+]CCc2nnc3ccccn32)cc1 ZINC000014167136 372060770 /nfs/dbraw/zinc/06/07/70/372060770.db2.gz SFSWJBIRIKQPLA-UHFFFAOYSA-N 1 0 298.415 2.784 50 0 CFAARO O=C(NCc1ccncc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013679010 372039622 /nfs/dbraw/zinc/03/96/22/372039622.db2.gz DECMINVBFQCSII-UHFFFAOYSA-N 1 0 295.386 2.607 50 0 CFAARO C[NH+](C)CCNC(=O)CCSc1ccc(Cl)cc1 ZINC000013675098 372039969 /nfs/dbraw/zinc/03/99/69/372039969.db2.gz DJAQVXMCNMLVBL-UHFFFAOYSA-N 1 0 286.828 2.500 50 0 CFAARO Cc1ccc(C[NH2+]Cc2ccc(OCCO)cc2)cc1 ZINC000013731086 372044859 /nfs/dbraw/zinc/04/48/59/372044859.db2.gz PSFCOXXQINAART-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)C1)c1cccs1 ZINC000012993424 372007932 /nfs/dbraw/zinc/00/79/32/372007932.db2.gz XWPRXRQVSRXMKZ-NEPJUHHUSA-N 1 0 266.410 2.657 50 0 CFAARO Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1C ZINC000016605306 372113391 /nfs/dbraw/zinc/11/33/91/372113391.db2.gz ZQXQEKHXMOVNJZ-UHFFFAOYSA-N 1 0 260.381 2.519 50 0 CFAARO CCc1c(C)scc1C(=O)NCC[NH+]1CCCCC1 ZINC000016603910 372113537 /nfs/dbraw/zinc/11/35/37/372113537.db2.gz SBWFHKHOFALVDC-UHFFFAOYSA-N 1 0 280.437 2.835 50 0 CFAARO C[C@@H](C(=O)NCc1ccco1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC000016699585 372117753 /nfs/dbraw/zinc/11/77/53/372117753.db2.gz BRUACDORBRZLDY-KBPBESRZSA-N 1 0 286.375 2.977 50 0 CFAARO C[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047107 372098332 /nfs/dbraw/zinc/09/83/32/372098332.db2.gz UFYZJQUGCBFORI-NSHDSACASA-N 1 0 265.328 2.924 50 0 CFAARO FC(F)Oc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000016941717 372121276 /nfs/dbraw/zinc/12/12/76/372121276.db2.gz RVEFTIYSKRVNEV-UHFFFAOYSA-N 1 0 264.275 2.973 50 0 CFAARO Cc1ccc(NC(=O)NCc2cn3ccccc3n2)cc1 ZINC000018172444 372142041 /nfs/dbraw/zinc/14/20/41/372142041.db2.gz SUOAQFZFXMTNEF-UHFFFAOYSA-N 1 0 280.331 2.964 50 0 CFAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000019359448 372156605 /nfs/dbraw/zinc/15/66/05/372156605.db2.gz MOFUDSRRLJQSIF-GJZGRUSLSA-N 1 0 262.397 2.976 50 0 CFAARO c1ccc(CCC[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000019371123 372157985 /nfs/dbraw/zinc/15/79/85/372157985.db2.gz BGSSPBLUQDEAFD-UHFFFAOYSA-N 1 0 295.430 2.832 50 0 CFAARO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000019410447 372160127 /nfs/dbraw/zinc/16/01/27/372160127.db2.gz DQLZFLYOQQRZFX-UHFFFAOYSA-N 1 0 273.163 2.932 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000019499930 372170190 /nfs/dbraw/zinc/17/01/90/372170190.db2.gz XBSADJOSMMQZQC-CQSZACIVSA-N 1 0 292.423 2.620 50 0 CFAARO CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019536962 372173839 /nfs/dbraw/zinc/17/38/39/372173839.db2.gz BAVSZUFIAQAWPW-UHFFFAOYSA-N 1 0 272.314 2.843 50 0 CFAARO CC[C@H]1CN(Cc2[nH]c(-c3ccccc3)nc2C)CC[N@@H+]1C ZINC000019732971 372182558 /nfs/dbraw/zinc/18/25/58/372182558.db2.gz JTGGZFBAYCFZMV-INIZCTEOSA-N 1 0 298.434 2.911 50 0 CFAARO Cc1ccc(OCCCC[NH+]2CCOCC2)cc1C ZINC000019607509 372178161 /nfs/dbraw/zinc/17/81/61/372178161.db2.gz SSRVEGOUAQHVLT-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO COc1ccccc1[C@@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000019656883 372178875 /nfs/dbraw/zinc/17/88/75/372178875.db2.gz ZVTPPUGBUIBZBC-ZDUSSCGKSA-N 1 0 284.363 2.717 50 0 CFAARO COc1ccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)cc1 ZINC000017310320 372131537 /nfs/dbraw/zinc/13/15/37/372131537.db2.gz SFDFPDNHZIMYPO-UHFFFAOYSA-N 1 0 284.359 2.943 50 0 CFAARO Clc1cccc(C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019947859 372214160 /nfs/dbraw/zinc/21/41/60/372214160.db2.gz YUHKRPGUMXSZEP-AWEZNQCLSA-N 1 0 250.773 2.524 50 0 CFAARO Nc1nc2c(s1)C[N@H+](CCCc1ccccc1)CC2 ZINC000019976247 372218574 /nfs/dbraw/zinc/21/85/74/372218574.db2.gz ADCCYRSKHFJERX-UHFFFAOYSA-N 1 0 273.405 2.716 50 0 CFAARO Nc1nc2c(s1)C[N@H+](C/C=C/c1ccccc1)CC2 ZINC000019976272 372218617 /nfs/dbraw/zinc/21/86/17/372218617.db2.gz CNWFDOWIHNENSD-QPJJXVBHSA-N 1 0 271.389 2.797 50 0 CFAARO CC(C)CN1CC[N@H+](CC2CCCCC2)C[C@@H]1CCO ZINC000020908065 372242173 /nfs/dbraw/zinc/24/21/73/372242173.db2.gz IHDOETOXKDVUDD-KRWDZBQOSA-N 1 0 282.472 2.591 50 0 CFAARO CN(C)C(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020102792 372232188 /nfs/dbraw/zinc/23/21/88/372232188.db2.gz XWBDFULMSVFSEE-UHFFFAOYSA-N 1 0 280.799 2.640 50 0 CFAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100564 372232672 /nfs/dbraw/zinc/23/26/72/372232672.db2.gz JSICGYGVLKLLSW-AWEZNQCLSA-N 1 0 274.408 2.813 50 0 CFAARO Cc1ccc(C(C)(C)C)c(OCCC[NH2+]CCN)c1 ZINC000020118387 372233342 /nfs/dbraw/zinc/23/33/42/372233342.db2.gz HNFXGDVXSGJABD-UHFFFAOYSA-N 1 0 264.413 2.610 50 0 CFAARO Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000020265128 372236962 /nfs/dbraw/zinc/23/69/62/372236962.db2.gz MHZOEEZLESSTPC-UHFFFAOYSA-N 1 0 281.403 2.634 50 0 CFAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000019770967 372184416 /nfs/dbraw/zinc/18/44/16/372184416.db2.gz APIUPJBSGRUJHZ-ZDUSSCGKSA-N 1 0 284.407 2.521 50 0 CFAARO CCc1ccc(OCC[NH2+]CCN(CC)CC)cc1 ZINC000019737641 372184876 /nfs/dbraw/zinc/18/48/76/372184876.db2.gz YGMRKQNRNRRYAC-UHFFFAOYSA-N 1 0 264.413 2.559 50 0 CFAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000020514388 372240300 /nfs/dbraw/zinc/24/03/00/372240300.db2.gz HAKOHSZLEZVPKB-MRXNPFEDSA-N 1 0 292.398 2.559 50 0 CFAARO O[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000019799194 372189648 /nfs/dbraw/zinc/18/96/48/372189648.db2.gz FVLVBRMZBPQASS-KRWDZBQOSA-N 1 0 271.335 2.919 50 0 CFAARO CC(C)c1ccc(OCCCCN2CC[NH2+]CC2)cc1 ZINC000019831598 372191849 /nfs/dbraw/zinc/19/18/49/372191849.db2.gz LKWQEFDXSQWUDI-UHFFFAOYSA-N 1 0 276.424 2.874 50 0 CFAARO c1ccc(N2CCN([C@@H]3CCC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000020908663 372241075 /nfs/dbraw/zinc/24/10/75/372241075.db2.gz AVCCESFBTCKRGF-LJQANCHMSA-N 1 0 299.462 2.826 50 0 CFAARO Clc1ccccc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000019871952 372201463 /nfs/dbraw/zinc/20/14/63/372201463.db2.gz XYDUAQOXABFATD-AWEZNQCLSA-N 1 0 250.773 2.524 50 0 CFAARO CC(C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000019889220 372204423 /nfs/dbraw/zinc/20/44/23/372204423.db2.gz IHXDQGQKFBXOSR-UHFFFAOYSA-N 1 0 252.402 2.509 50 0 CFAARO COc1ccc(CC[NH2+][C@H](C)c2cccnc2)cc1OC ZINC000019902446 372204693 /nfs/dbraw/zinc/20/46/93/372204693.db2.gz XTFAGFYJFIWDBI-CYBMUJFWSA-N 1 0 286.375 2.992 50 0 CFAARO COC[C@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019905020 372205604 /nfs/dbraw/zinc/20/56/04/372205604.db2.gz ZQTOWVDJDFTLRP-QMMMGPOBSA-N 1 0 276.149 2.713 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccsc1)c1ccsc1 ZINC000025330713 372296945 /nfs/dbraw/zinc/29/69/45/372296945.db2.gz HPGMVMFZMUVDCN-GFCCVEGCSA-N 1 0 280.418 2.842 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccsc1 ZINC000025329635 372297592 /nfs/dbraw/zinc/29/75/92/372297592.db2.gz KJJWUXLXXOYVLI-TZMCWYRMSA-N 1 0 278.421 2.823 50 0 CFAARO c1ccc(C[C@@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000022027823 372244237 /nfs/dbraw/zinc/24/42/37/372244237.db2.gz AJNDRRBUHVZNKU-GOSISDBHSA-N 1 0 266.388 2.703 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OC ZINC000022936501 372247584 /nfs/dbraw/zinc/24/75/84/372247584.db2.gz REMSDNMEXZJTNR-AWEZNQCLSA-N 1 0 282.815 2.923 50 0 CFAARO Cc1ccccc1CN1CC[N@@H+](CC(C)C)[C@@H](CCO)C1 ZINC000022913371 372247825 /nfs/dbraw/zinc/24/78/25/372247825.db2.gz FHEORWDDWWSIRR-SFHVURJKSA-N 1 0 290.451 2.520 50 0 CFAARO CNC(=O)c1ccc([C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000023311898 372258536 /nfs/dbraw/zinc/25/85/36/372258536.db2.gz DARCETHXGXTKJN-LLVKDONJSA-N 1 0 266.410 2.901 50 0 CFAARO C[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCCC1 ZINC000023624721 372262743 /nfs/dbraw/zinc/26/27/43/372262743.db2.gz KAJZJBBIDNUQGW-UHFFFAOYSA-N 1 0 291.782 2.951 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000023623413 372263255 /nfs/dbraw/zinc/26/32/55/372263255.db2.gz YJRAVURCXLPMAG-UHFFFAOYSA-N 1 0 281.787 2.946 50 0 CFAARO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000024165504 372272133 /nfs/dbraw/zinc/27/21/33/372272133.db2.gz XCHWFBCRNDNLJU-JTQLQIEISA-N 1 0 268.788 2.905 50 0 CFAARO C[C@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115247 372272713 /nfs/dbraw/zinc/27/27/13/372272713.db2.gz FTGHRDKOCPMFJV-BBRMVZONSA-N 1 0 272.392 2.555 50 0 CFAARO CC(C)(C)c1ccc(OCCSC(N)=[NH2+])cc1 ZINC000029335051 372377569 /nfs/dbraw/zinc/37/75/69/372377569.db2.gz GNEXZQYPAAFGOW-UHFFFAOYSA-N 1 0 252.383 2.990 50 0 CFAARO CC1(C)CC(NC(=O)[C@@H]2CC=CCC2)CC(C)(C)[NH2+]1 ZINC000029787401 372385762 /nfs/dbraw/zinc/38/57/62/372385762.db2.gz GRSVKYORCSUCPO-GFCCVEGCSA-N 1 0 264.413 2.768 50 0 CFAARO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237613548 189884498 /nfs/dbraw/zinc/88/44/98/189884498.db2.gz BJJHQILCEBBQIP-GFCCVEGCSA-N 1 0 293.436 2.672 50 0 CFAARO CCOCCC[NH2+]Cc1ccccc1OC(C)C ZINC000032107264 372427380 /nfs/dbraw/zinc/42/73/80/372427380.db2.gz PXQOUADMMMNWHA-UHFFFAOYSA-N 1 0 251.370 2.990 50 0 CFAARO O[C@@H](C[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000032112797 372429612 /nfs/dbraw/zinc/42/96/12/372429612.db2.gz XCYAKQVSHJLMSL-AWEZNQCLSA-N 1 0 262.740 2.558 50 0 CFAARO CCN1CCC[C@H]([N@@H+]2CCC[C@@H](CCCOC)C2)C1 ZINC000032500585 372441635 /nfs/dbraw/zinc/44/16/35/372441635.db2.gz NPFJQSFDXRVZQX-HOTGVXAUSA-N 1 0 268.445 2.609 50 0 CFAARO CSc1cccc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000032652004 372453683 /nfs/dbraw/zinc/45/36/83/372453683.db2.gz ULXODPUBVXMNAN-UHFFFAOYSA-N 1 0 252.383 2.735 50 0 CFAARO COC(=O)c1c(C)c2ccccc2nc1C[NH+]1CCCC1 ZINC000032753213 372459135 /nfs/dbraw/zinc/45/91/35/372459135.db2.gz SEIBOIUZZWGTNO-UHFFFAOYSA-N 1 0 284.359 2.926 50 0 CFAARO NC(=O)[C@@H]([NH2+]CCCC1CCCC1)c1ccccc1 ZINC000032771710 372461590 /nfs/dbraw/zinc/46/15/90/372461590.db2.gz YKIIRSNWMIPQTC-HNNXBMFYSA-N 1 0 260.381 2.773 50 0 CFAARO Cc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000032788581 372463094 /nfs/dbraw/zinc/46/30/94/372463094.db2.gz JGFABYLTHYHGJN-QGZVFWFLSA-N 1 0 298.386 2.869 50 0 CFAARO Cc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000035075007 372535115 /nfs/dbraw/zinc/53/51/15/372535115.db2.gz AXOOJLOJCMLUJF-RDJZCZTQSA-N 1 0 277.408 2.604 50 0 CFAARO Cc1ccccc1COc1ccc(C[NH2+]CCO)cc1 ZINC000033440388 372494429 /nfs/dbraw/zinc/49/44/29/372494429.db2.gz UBGSGOWKYZDWJX-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO CCOC(C[N@H+](C)Cc1ccc(OC)c(OC)c1)OCC ZINC000034370397 372507722 /nfs/dbraw/zinc/50/77/22/372507722.db2.gz UHKKJQFDEZZXHC-UHFFFAOYSA-N 1 0 297.395 2.535 50 0 CFAARO Brc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000036034127 372553762 /nfs/dbraw/zinc/55/37/62/372553762.db2.gz GZOHUAVSKZQNRX-GFCCVEGCSA-N 1 0 270.170 2.718 50 0 CFAARO CCC[N@@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1 ZINC000036030962 372554169 /nfs/dbraw/zinc/55/41/69/372554169.db2.gz UQTVQFOIKZMINA-OAHLLOKOSA-N 1 0 289.375 2.932 50 0 CFAARO CC[C@@H](O)C[N@@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036095647 372557661 /nfs/dbraw/zinc/55/76/61/372557661.db2.gz ZSWCZBFZDGRFOZ-OAHLLOKOSA-N 1 0 295.423 2.933 50 0 CFAARO CC(C)[NH+](C[C@@H](C)NC(=O)c1cc(C2CC2)n[nH]1)C(C)C ZINC000036614191 372582327 /nfs/dbraw/zinc/58/23/27/372582327.db2.gz GVQTZOOJGUSZPV-GFCCVEGCSA-N 1 0 292.427 2.524 50 0 CFAARO COc1cccc2cc([C@H](C)[NH2+]CC(=O)NC(C)C)oc21 ZINC000036781475 372592387 /nfs/dbraw/zinc/59/23/87/372592387.db2.gz UFGIKTMBNFOMAG-NSHDSACASA-N 1 0 290.363 2.617 50 0 CFAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(F)c1 ZINC000037024067 372638037 /nfs/dbraw/zinc/63/80/37/372638037.db2.gz QVYQSJCUPKBTMS-AWEZNQCLSA-N 1 0 259.328 2.726 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037142119 372655305 /nfs/dbraw/zinc/65/53/05/372655305.db2.gz DOICJUOBAFWQJM-GHMZBOCLSA-N 1 0 261.291 2.929 50 0 CFAARO CC(C)[C@@H]([NH3+])c1nc(-c2ccc3c(c2)OCCO3)c[nH]1 ZINC000036876992 372605971 /nfs/dbraw/zinc/60/59/71/372605971.db2.gz IGAYKSMCETWQOG-CQSZACIVSA-N 1 0 273.336 2.504 50 0 CFAARO C[NH2+]CCCC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000037611171 372672769 /nfs/dbraw/zinc/67/27/69/372672769.db2.gz AZSIKIWTJIBDDG-UHFFFAOYSA-N 1 0 276.380 2.946 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](/C=C\c2ccccc2)N1 ZINC000038162891 372773590 /nfs/dbraw/zinc/77/35/90/372773590.db2.gz YKEVULXNKMWCPY-JQPIKURYSA-N 1 0 289.342 2.798 50 0 CFAARO CNC(=O)C1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000040489125 372784098 /nfs/dbraw/zinc/78/40/98/372784098.db2.gz MCBAJLDYJJULBQ-UHFFFAOYSA-N 1 0 283.375 2.506 50 0 CFAARO CCN1CCC[C@@H]([N@@H+]2CCC[C@H](CCCOC)C2)C1 ZINC000042437812 372924818 /nfs/dbraw/zinc/92/48/18/372924818.db2.gz NPFJQSFDXRVZQX-HZPDHXFCSA-N 1 0 268.445 2.609 50 0 CFAARO Fc1cccc(F)c1COCC[C@H]1CCC[NH2+]C1 ZINC000042773960 372954260 /nfs/dbraw/zinc/95/42/60/372954260.db2.gz OEJVOHOGZOCOQR-LLVKDONJSA-N 1 0 255.308 2.871 50 0 CFAARO CCc1ccc2ncn(CC[C@@H]3CCCC[N@@H+]3C)c(=O)c2c1 ZINC000042948916 372968129 /nfs/dbraw/zinc/96/81/29/372968129.db2.gz ZBHMKFXPOKPKDO-HNNXBMFYSA-N 1 0 299.418 2.833 50 0 CFAARO C[NH+](C)Cc1cn(C(=O)OC(C)(C)C)c2ncccc12 ZINC000043199411 372981691 /nfs/dbraw/zinc/98/16/91/372981691.db2.gz ZNJZRJCULHGHCM-UHFFFAOYSA-N 1 0 275.352 2.881 50 0 CFAARO Brc1cccc(OCCC2CC[NH2+]CC2)n1 ZINC000042774168 372954543 /nfs/dbraw/zinc/95/45/43/372954543.db2.gz YERSMYYVFOENAM-UHFFFAOYSA-N 1 0 285.185 2.613 50 0 CFAARO c1ccc2sc(N[C@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000044411774 373003973 /nfs/dbraw/zinc/00/39/73/373003973.db2.gz KXAXAJJOFYVLSS-JTQLQIEISA-N 1 0 259.378 2.945 50 0 CFAARO CC(C)(C)OC(=O)NCC1(c2ccccc2)CC[NH2+]CC1 ZINC000043214555 372983750 /nfs/dbraw/zinc/98/37/50/372983750.db2.gz ZCLBJFOUCSBWAR-UHFFFAOYSA-N 1 0 290.407 2.833 50 0 CFAARO CCC1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000048288748 373158984 /nfs/dbraw/zinc/15/89/84/373158984.db2.gz RQYIDXBSOSXKKS-UHFFFAOYSA-N 1 0 291.420 2.686 50 0 CFAARO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](O)C2)c1C ZINC000048343698 373165385 /nfs/dbraw/zinc/16/53/85/373165385.db2.gz SFICLZHPYVZWMV-OAHLLOKOSA-N 1 0 275.392 2.771 50 0 CFAARO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000049423169 373294794 /nfs/dbraw/zinc/29/47/94/373294794.db2.gz CWYOEHVZOYNOJB-AWEZNQCLSA-N 1 0 278.371 2.562 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000049479573 373302455 /nfs/dbraw/zinc/30/24/55/373302455.db2.gz RRMZPRHKXOIPOT-ZDUSSCGKSA-N 1 0 278.371 2.676 50 0 CFAARO CC(C)CC(=O)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000049573702 373313266 /nfs/dbraw/zinc/31/32/66/373313266.db2.gz YTOYGHVNAOOMKW-HNNXBMFYSA-N 1 0 264.413 2.533 50 0 CFAARO [NH3+][C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050227812 373364877 /nfs/dbraw/zinc/36/48/77/373364877.db2.gz NZVSWPFFBLBRJP-QGZVFWFLSA-N 1 0 252.361 2.887 50 0 CFAARO Cc1cc(C)nc(SCC[C@H]2CCCC[NH2+]2)n1 ZINC000051608132 373402660 /nfs/dbraw/zinc/40/26/60/373402660.db2.gz FXRXONZTVAQEMD-GFCCVEGCSA-N 1 0 251.399 2.718 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCC(C)C ZINC000051451258 373397652 /nfs/dbraw/zinc/39/76/52/373397652.db2.gz NTLJVWSVOCHAFO-HNNXBMFYSA-N 1 0 265.397 2.713 50 0 CFAARO COCCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000051560133 373401464 /nfs/dbraw/zinc/40/14/64/373401464.db2.gz PUNOODDLDKSOHP-CQSZACIVSA-N 1 0 277.364 2.631 50 0 CFAARO Cn1ccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)cc1=O ZINC000052106157 373437354 /nfs/dbraw/zinc/43/73/54/373437354.db2.gz FRHDXTKQKZMUAD-GOSISDBHSA-N 1 0 296.414 2.983 50 0 CFAARO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000052861386 373452455 /nfs/dbraw/zinc/45/24/55/373452455.db2.gz MTOCDDHHCDUNDF-ZDUSSCGKSA-N 1 0 275.327 2.897 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000053202161 373468972 /nfs/dbraw/zinc/46/89/72/373468972.db2.gz PAGMQJUGPZWNCG-SNVBAGLBSA-N 1 0 287.190 2.817 50 0 CFAARO CCCn1cc(C[NH2+]CCCCO)c2ccccc21 ZINC000057353300 373590281 /nfs/dbraw/zinc/59/02/81/373590281.db2.gz GRSJJSFWOCOHDK-UHFFFAOYSA-N 1 0 260.381 2.913 50 0 CFAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cccc2nonc21 ZINC000055089596 373539350 /nfs/dbraw/zinc/53/93/50/373539350.db2.gz HBIQVZXPRULXRQ-UHFFFAOYSA-N 1 0 299.378 2.615 50 0 CFAARO CSCCC[N@H+](CCCO)Cc1ccc(C)s1 ZINC000055168256 373543787 /nfs/dbraw/zinc/54/37/87/373543787.db2.gz BNAFSAZBZJVXNI-UHFFFAOYSA-N 1 0 273.467 2.994 50 0 CFAARO Clc1cccc(N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000055292639 373547246 /nfs/dbraw/zinc/54/72/46/373547246.db2.gz KQULOXWVNAHTMB-AWEZNQCLSA-N 1 0 282.840 2.968 50 0 CFAARO CC[C@@H](C)C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055284954 373547613 /nfs/dbraw/zinc/54/76/13/373547613.db2.gz AAAYBSZSZUBXCF-GFCCVEGCSA-N 1 0 262.401 2.839 50 0 CFAARO Cc1ccsc1CN(CC(C)C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000055341829 373549725 /nfs/dbraw/zinc/54/97/25/373549725.db2.gz WDVOCJGEWDIADV-CYBMUJFWSA-N 1 0 280.437 2.651 50 0 CFAARO FC(F)(F)CC[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055383036 373549759 /nfs/dbraw/zinc/54/97/59/373549759.db2.gz WNMOQLWAFFBOJQ-UHFFFAOYSA-N 1 0 288.317 2.745 50 0 CFAARO Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058216831 373634262 /nfs/dbraw/zinc/63/42/62/373634262.db2.gz CMZFWYYMPLSVNI-GFCCVEGCSA-N 1 0 284.359 2.708 50 0 CFAARO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCCCC1 ZINC000058246541 373637443 /nfs/dbraw/zinc/63/74/43/373637443.db2.gz NWQOBGHKWLWLEL-QLFBSQMISA-N 1 0 295.471 2.985 50 0 CFAARO CN(CCc1ccc(F)cc1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000057597092 373602434 /nfs/dbraw/zinc/60/24/34/373602434.db2.gz CCJLIBXYUKCYIR-INIZCTEOSA-N 1 0 286.350 2.527 50 0 CFAARO COC(=O)c1occc1C[N@H+](C)C1CCCCC1 ZINC000057941363 373618702 /nfs/dbraw/zinc/61/87/02/373618702.db2.gz TYIIPVQGAUJVAX-UHFFFAOYSA-N 1 0 251.326 2.831 50 0 CFAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC000058525308 373661557 /nfs/dbraw/zinc/66/15/57/373661557.db2.gz VRIYDXCKHKBNKV-INIZCTEOSA-N 1 0 285.391 2.599 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC000063835163 373815188 /nfs/dbraw/zinc/81/51/88/373815188.db2.gz ZWGRFFNKRDUGAO-OAHLLOKOSA-N 1 0 266.429 2.803 50 0 CFAARO C[NH2+]CC1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000063159470 373788866 /nfs/dbraw/zinc/78/88/66/373788866.db2.gz HZVKFVOMRVUXAA-UHFFFAOYSA-N 1 0 284.762 2.551 50 0 CFAARO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccccc1-c1ccco1 ZINC000065533893 373884905 /nfs/dbraw/zinc/88/49/05/373884905.db2.gz WGFHZZHBJQCYGU-ZDUSSCGKSA-N 1 0 286.375 2.855 50 0 CFAARO Cc1ncc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000065552726 373886869 /nfs/dbraw/zinc/88/68/69/373886869.db2.gz LVMDYHGHKSSNJK-ZDUSSCGKSA-N 1 0 288.420 2.781 50 0 CFAARO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000065553980 373887354 /nfs/dbraw/zinc/88/73/54/373887354.db2.gz HBNDWULGNINPDI-IAGOWNOFSA-N 1 0 286.419 2.923 50 0 CFAARO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(OC)c1 ZINC000065621637 373896371 /nfs/dbraw/zinc/89/63/71/373896371.db2.gz NEAHOXGENLRKGX-GFCCVEGCSA-N 1 0 279.384 2.547 50 0 CFAARO CCCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000065287928 373852112 /nfs/dbraw/zinc/85/21/12/373852112.db2.gz SSQVULFWLFXTGG-CQSZACIVSA-N 1 0 274.368 2.661 50 0 CFAARO CCc1nnc([C@H]2CCC[N@H+](Cc3cccs3)C2)[nH]1 ZINC000065286905 373853242 /nfs/dbraw/zinc/85/32/42/373853242.db2.gz PZSYRRJITYLZMJ-NSHDSACASA-N 1 0 276.409 2.808 50 0 CFAARO C[C@H](C[NH2+]C1CCSCC1)N(C)c1ccccc1 ZINC000065369967 373859688 /nfs/dbraw/zinc/85/96/88/373859688.db2.gz IUIUESPLTQQHJK-CYBMUJFWSA-N 1 0 264.438 2.997 50 0 CFAARO c1ccc([C@H]2CCN(CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065381969 373861063 /nfs/dbraw/zinc/86/10/63/373861063.db2.gz ZNENECPMJDDOOP-INIZCTEOSA-N 1 0 290.476 2.961 50 0 CFAARO CCC(CC)[NH2+][C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000065386976 373863238 /nfs/dbraw/zinc/86/32/38/373863238.db2.gz TZCAAPHZWBBSDP-CYBMUJFWSA-N 1 0 276.380 2.579 50 0 CFAARO CCc1nc(C)cc(NC2(C[NH+]3CCCCC3)CC2)n1 ZINC000065387586 373863385 /nfs/dbraw/zinc/86/33/85/373863385.db2.gz UFKRZVDRGNHWKM-UHFFFAOYSA-N 1 0 274.412 2.778 50 0 CFAARO Cc1nc(C)n(CCC[NH2+][C@@H](C)Cc2ccccc2F)n1 ZINC000065385918 373863652 /nfs/dbraw/zinc/86/36/52/373863652.db2.gz OCLMECSJMJDIHZ-LBPRGKRZSA-N 1 0 290.386 2.645 50 0 CFAARO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065387410 373864002 /nfs/dbraw/zinc/86/40/02/373864002.db2.gz JPSLWERXQHBIPQ-AWEZNQCLSA-N 1 0 293.374 2.855 50 0 CFAARO C[N@H+](Cc1ccc(CO)o1)Cc1cccc2ncccc12 ZINC000065387885 373864247 /nfs/dbraw/zinc/86/42/47/373864247.db2.gz PZTMYHRVPSVGPT-UHFFFAOYSA-N 1 0 282.343 2.952 50 0 CFAARO Cc1ccc(F)cc1C[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC000065385657 373864899 /nfs/dbraw/zinc/86/48/99/373864899.db2.gz FCCMTYFADMTITB-CYBMUJFWSA-N 1 0 292.398 2.872 50 0 CFAARO CC(=O)N1CCC([NH2+]CCCn2ccc3ccccc32)CC1 ZINC000065399037 373865867 /nfs/dbraw/zinc/86/58/67/373865867.db2.gz HGHTXQLJSVLXIA-UHFFFAOYSA-N 1 0 299.418 2.632 50 0 CFAARO COc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000065406861 373868050 /nfs/dbraw/zinc/86/80/50/373868050.db2.gz BSLAAALAGFEAPQ-UHFFFAOYSA-N 1 0 298.390 2.562 50 0 CFAARO CN(Cc1ccccc1)c1nc(CC[NH3+])nc2ccccc21 ZINC000065410495 373869167 /nfs/dbraw/zinc/86/91/67/373869167.db2.gz LWGJASVJMNBTRP-UHFFFAOYSA-N 1 0 292.386 2.767 50 0 CFAARO CCc1nc(C)cc(NCCC23CCC[NH+]2CCC3)n1 ZINC000065461019 373875738 /nfs/dbraw/zinc/87/57/38/373875738.db2.gz IDKAFSSBXYTMDW-UHFFFAOYSA-N 1 0 274.412 2.778 50 0 CFAARO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCO1 ZINC000065464717 373875760 /nfs/dbraw/zinc/87/57/60/373875760.db2.gz XIAKNNSBIQCBPW-MRXNPFEDSA-N 1 0 276.380 2.646 50 0 CFAARO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000065491575 373877444 /nfs/dbraw/zinc/87/74/44/373877444.db2.gz CHUWZURSOHVIPN-ZDUSSCGKSA-N 1 0 295.386 2.510 50 0 CFAARO COC(=O)C(C[NH3+])(Cc1ccccc1)Cc1ccccc1 ZINC000066054541 373910077 /nfs/dbraw/zinc/91/00/77/373910077.db2.gz IJMGEQFKUATDAT-UHFFFAOYSA-N 1 0 283.371 2.590 50 0 CFAARO C[C@@H](C(=O)N(C)C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000066607079 373941265 /nfs/dbraw/zinc/94/12/65/373941265.db2.gz JFMMWUDURXRAQK-ZDUSSCGKSA-N 1 0 299.418 2.824 50 0 CFAARO C[N@@H+]1CCC[C@H](CCNC(=O)CCC2CCCC2)C1 ZINC000067714275 373997057 /nfs/dbraw/zinc/99/70/57/373997057.db2.gz SMDDTRWOKWYCCO-OAHLLOKOSA-N 1 0 266.429 2.805 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000067754804 373999202 /nfs/dbraw/zinc/99/92/02/373999202.db2.gz RLKJTWOUNDOAFN-NNSJBKGDSA-N 1 0 252.402 2.581 50 0 CFAARO CCc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC)C2)[nH]n1 ZINC000067840365 374007337 /nfs/dbraw/zinc/00/73/37/374007337.db2.gz ZIDNLJCUJNLNEQ-CYBMUJFWSA-N 1 0 287.411 2.637 50 0 CFAARO CNc1ccccc1-c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067855823 374011189 /nfs/dbraw/zinc/01/11/89/374011189.db2.gz GLBJRPQCCMUMNB-UHFFFAOYSA-N 1 0 286.379 2.663 50 0 CFAARO Cc1ccoc1C(=O)NC[C@H](c1sccc1C)[NH+](C)C ZINC000067934602 374014702 /nfs/dbraw/zinc/01/47/02/374014702.db2.gz HJQINXXIIOTKQW-GFCCVEGCSA-N 1 0 292.404 2.991 50 0 CFAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH2+]CC1 ZINC000067935012 374015732 /nfs/dbraw/zinc/01/57/32/374015732.db2.gz FLXHUMAYJWAQHH-UHFFFAOYSA-N 1 0 275.392 2.942 50 0 CFAARO CCSC[C@H](C)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000067908457 374016320 /nfs/dbraw/zinc/01/63/20/374016320.db2.gz HUJRFCHHNIHTJZ-JTQLQIEISA-N 1 0 294.449 2.831 50 0 CFAARO CC(=O)c1cccc(CN(Cc2nccn2C)C2CC2)c1 ZINC000067982593 374017933 /nfs/dbraw/zinc/01/79/33/374017933.db2.gz RQJZCIQAMHVSDN-UHFFFAOYSA-N 1 0 283.375 2.787 50 0 CFAARO [NH3+]CC(=O)Nc1ccccc1/C=C/c1ccccc1 ZINC000067673267 373990007 /nfs/dbraw/zinc/99/00/07/373990007.db2.gz MIIGVTXCHHNSKH-ZHACJKMWSA-N 1 0 252.317 2.754 50 0 CFAARO O=C1CCCN1CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000068333588 374028320 /nfs/dbraw/zinc/02/83/20/374028320.db2.gz OHLDXQSJLORDDW-QGZVFWFLSA-N 1 0 284.403 2.761 50 0 CFAARO C[C@H](CC[NH+](C)C)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000068471026 374029947 /nfs/dbraw/zinc/02/99/47/374029947.db2.gz FNXWKLRBJXKFCG-GFCCVEGCSA-N 1 0 294.826 2.828 50 0 CFAARO CC[C@@H](c1ccccc1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000069327574 374054476 /nfs/dbraw/zinc/05/44/76/374054476.db2.gz ULBPDDAQHATAGP-INIZCTEOSA-N 1 0 287.407 2.627 50 0 CFAARO Cc1ncc(C[N@H+](C)C[C@H](O)c2ccccc2F)s1 ZINC000069347639 374056192 /nfs/dbraw/zinc/05/61/92/374056192.db2.gz XXNGFJIJPBXPLD-AWEZNQCLSA-N 1 0 280.368 2.756 50 0 CFAARO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H](C)n1cccn1 ZINC000069372002 374057750 /nfs/dbraw/zinc/05/77/50/374057750.db2.gz OILHUZGWZSVGEE-GJZGRUSLSA-N 1 0 295.390 2.808 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000069414577 374059071 /nfs/dbraw/zinc/05/90/71/374059071.db2.gz QKWMCFREAXHWHT-LBPRGKRZSA-N 1 0 284.338 2.749 50 0 CFAARO C[NH2+]Cc1cccc(NC(=O)CC[C@@H]2CCCCO2)c1 ZINC000069398680 374060071 /nfs/dbraw/zinc/06/00/71/374060071.db2.gz OMSFWNLEODZZHH-HNNXBMFYSA-N 1 0 276.380 2.694 50 0 CFAARO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000069653840 374082682 /nfs/dbraw/zinc/08/26/82/374082682.db2.gz DPADDTCRPRLXQE-OAHLLOKOSA-N 1 0 290.382 2.803 50 0 CFAARO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000069587965 374076747 /nfs/dbraw/zinc/07/67/47/374076747.db2.gz DODQUWIOUFLTCM-LBPRGKRZSA-N 1 0 278.421 2.579 50 0 CFAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069583643 374076784 /nfs/dbraw/zinc/07/67/84/374076784.db2.gz VBVMIHPHFDYCIX-HNNXBMFYSA-N 1 0 285.391 2.724 50 0 CFAARO CCOCCN1CC[N@H+](CCCc2ccccc2)C[C@@H]1C ZINC000070008503 374113682 /nfs/dbraw/zinc/11/36/82/374113682.db2.gz YHRFFBSZTCOEOK-KRWDZBQOSA-N 1 0 290.451 2.662 50 0 CFAARO Cc1oc(C)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000069659062 374083622 /nfs/dbraw/zinc/08/36/22/374083622.db2.gz VUPLHOKAFFESSJ-HUUCEWRRSA-N 1 0 290.407 2.904 50 0 CFAARO OC[C@@H]1CCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000069811582 374099789 /nfs/dbraw/zinc/09/97/89/374099789.db2.gz ZNWHWHAHZPGNJH-LBPRGKRZSA-N 1 0 276.767 2.845 50 0 CFAARO c1cncc(CN2CCC[C@H]([NH+]3CCCCCC3)C2)c1 ZINC000069841761 374102860 /nfs/dbraw/zinc/10/28/60/374102860.db2.gz REMBMUQEDZCWRA-KRWDZBQOSA-N 1 0 273.424 2.922 50 0 CFAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc(Cl)o1)CC2 ZINC000069898464 374107528 /nfs/dbraw/zinc/10/75/28/374107528.db2.gz PMWPPRLLGMHBDB-SNVBAGLBSA-N 1 0 294.786 2.753 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000070172420 374138122 /nfs/dbraw/zinc/13/81/22/374138122.db2.gz CHSVCOHMFRCAPJ-DGCLKSJQSA-N 1 0 280.799 2.848 50 0 CFAARO c1cc(C2CCCC2)nc(N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000071767898 374220783 /nfs/dbraw/zinc/22/07/83/374220783.db2.gz NNAROSIHNITBIY-HNNXBMFYSA-N 1 0 286.423 2.809 50 0 CFAARO CC(C)c1nccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)n1 ZINC000071754559 374220968 /nfs/dbraw/zinc/22/09/68/374220968.db2.gz XWQSJJHPYDKQCW-YOEHRIQHSA-N 1 0 289.423 2.727 50 0 CFAARO [NH3+]C1(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)CCC1 ZINC000071761409 374221285 /nfs/dbraw/zinc/22/12/85/374221285.db2.gz XZMFRDFUVZCKGF-INIZCTEOSA-N 1 0 286.419 2.739 50 0 CFAARO CC[C@](OC(C)=O)(c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000071772248 374223023 /nfs/dbraw/zinc/22/30/23/374223023.db2.gz JGSQNSNIRULOTK-HOTGVXAUSA-N 1 0 261.365 2.807 50 0 CFAARO O[C@H](C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000071790107 374226090 /nfs/dbraw/zinc/22/60/90/374226090.db2.gz LVEYHAKODMONLP-CYBMUJFWSA-N 1 0 273.298 2.822 50 0 CFAARO Cc1cc2nc(C)cc(NC[C@@H](c3ccco3)[NH+](C)C)n2n1 ZINC000072468464 374256216 /nfs/dbraw/zinc/25/62/16/374256216.db2.gz CRFBABVJDHUWBO-ZDUSSCGKSA-N 1 0 299.378 2.654 50 0 CFAARO c1ccc2cc(N3CC[NH+](C[C@H]4CCOC4)CC3)ccc2c1 ZINC000072133072 374234677 /nfs/dbraw/zinc/23/46/77/374234677.db2.gz GXYRFYALNJUWED-MRXNPFEDSA-N 1 0 296.414 2.998 50 0 CFAARO Cc1csc([C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)n1 ZINC000072273899 374240151 /nfs/dbraw/zinc/24/01/51/374240151.db2.gz OFGNJHAWOFEUIB-ZDUSSCGKSA-N 1 0 295.452 2.845 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(CO)c1 ZINC000248774056 189952603 /nfs/dbraw/zinc/95/26/03/189952603.db2.gz YROXGONTZORSOV-DXEWXGHRSA-N 1 0 287.403 2.787 50 0 CFAARO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccno1 ZINC000072772104 374284711 /nfs/dbraw/zinc/28/47/11/374284711.db2.gz XOHDPXPUQFBOFG-GFCCVEGCSA-N 1 0 260.337 2.746 50 0 CFAARO CC[C@@H](NC(=O)CCC[NH+]1CCCCC1)c1ccncc1 ZINC000073944803 374398586 /nfs/dbraw/zinc/39/85/86/374398586.db2.gz CLXSDTQDEVKPPX-MRXNPFEDSA-N 1 0 289.423 2.915 50 0 CFAARO Cc1cc(C)cc(C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074067665 374406398 /nfs/dbraw/zinc/40/63/98/374406398.db2.gz KPWAFOHKYOACOA-OAHLLOKOSA-N 1 0 288.435 2.692 50 0 CFAARO CC[NH+](CC)CC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000075159215 374464980 /nfs/dbraw/zinc/46/49/80/374464980.db2.gz REAGGJSVUBDHKI-CQSZACIVSA-N 1 0 280.799 2.955 50 0 CFAARO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000074941763 374449039 /nfs/dbraw/zinc/44/90/39/374449039.db2.gz JOBKOZLEEYGNFR-CYBMUJFWSA-N 1 0 287.281 2.614 50 0 CFAARO Cc1ccc(F)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000075130800 374459656 /nfs/dbraw/zinc/45/96/56/374459656.db2.gz NJEGENOMMFBMHD-JKSUJKDBSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1cccc([C@H](C)[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000075638761 374497100 /nfs/dbraw/zinc/49/71/00/374497100.db2.gz BFZPYUMMPKVBRZ-ZDUSSCGKSA-N 1 0 260.381 2.643 50 0 CFAARO C[C@@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@H]1[NH+](C)C ZINC000078895015 374572838 /nfs/dbraw/zinc/57/28/38/374572838.db2.gz RFDLDOFDKDXZGY-IUODEOHRSA-N 1 0 292.398 2.512 50 0 CFAARO Cc1cc([C@@H]2CCC[N@H+](CCc3ccccn3)C2)[nH]n1 ZINC000078901220 374573030 /nfs/dbraw/zinc/57/30/30/374573030.db2.gz CIKQVGXGROEFQS-CQSZACIVSA-N 1 0 270.380 2.535 50 0 CFAARO CC(C)[C@H](c1ccccc1)[N@H+](C)CCCS(C)(=O)=O ZINC000079035202 374586675 /nfs/dbraw/zinc/58/66/75/374586675.db2.gz VCAGJEIEXJXBQG-OAHLLOKOSA-N 1 0 283.437 2.750 50 0 CFAARO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000252483501 189975844 /nfs/dbraw/zinc/97/58/44/189975844.db2.gz FCSGEEWUCRFXNN-GJZGRUSLSA-N 1 0 265.422 2.943 50 0 CFAARO Cc1cc(N2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000082156150 374728679 /nfs/dbraw/zinc/72/86/79/374728679.db2.gz YIWCRFUGFOUFKB-MRXNPFEDSA-N 1 0 299.418 2.785 50 0 CFAARO Cc1cccc(Cn2c[n+](CCc3ccccc3)cn2)c1 ZINC000252497276 189978051 /nfs/dbraw/zinc/97/80/51/189978051.db2.gz QCVBNKGUFOLJIV-UHFFFAOYSA-N 1 0 278.379 2.770 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000084257816 374772207 /nfs/dbraw/zinc/77/22/07/374772207.db2.gz HCPJWIJRMRNHMK-CQSZACIVSA-N 1 0 299.374 2.587 50 0 CFAARO OCCC[N@H+](Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000084581877 374783819 /nfs/dbraw/zinc/78/38/19/374783819.db2.gz GCICWRXGUUEBSW-GOSISDBHSA-N 1 0 282.387 2.954 50 0 CFAARO C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)CN1Cc1ccccc1 ZINC000084686460 374786829 /nfs/dbraw/zinc/78/68/29/374786829.db2.gz ZYVVPHVLBUQSDH-YKWDICOMSA-N 1 0 288.435 2.543 50 0 CFAARO Cc1noc(CC[NH2+][C@H](C)[C@H](C)c2ccccc2)n1 ZINC000089518727 374918438 /nfs/dbraw/zinc/91/84/38/374918438.db2.gz JSHXISSPHAXJTF-NWDGAFQWSA-N 1 0 259.353 2.702 50 0 CFAARO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C(C)(C)O1 ZINC000089917904 374968831 /nfs/dbraw/zinc/96/88/31/374968831.db2.gz WZOMODFBNDLTFR-GHMZBOCLSA-N 1 0 294.361 2.559 50 0 CFAARO COc1cccc([C@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000089702503 374938689 /nfs/dbraw/zinc/93/86/89/374938689.db2.gz NEPIJJHVGQBRNY-ZDUSSCGKSA-N 1 0 259.353 2.551 50 0 CFAARO C[C@@H](CO)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089704077 374940732 /nfs/dbraw/zinc/94/07/32/374940732.db2.gz XQTOXBOAMWVUJO-CPCISQLKSA-N 1 0 288.160 2.546 50 0 CFAARO COCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000089929748 374970870 /nfs/dbraw/zinc/97/08/70/374970870.db2.gz IOICSJXRRNJGTG-OAHLLOKOSA-N 1 0 296.455 2.526 50 0 CFAARO C[C@H](O)CC[NH2+][C@H]1CCCSc2ccccc21 ZINC000089895548 374967128 /nfs/dbraw/zinc/96/71/28/374967128.db2.gz QNSWUJNGKGCFRV-AAEUAGOBSA-N 1 0 251.395 2.974 50 0 CFAARO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc2c(c1)OCO2 ZINC000090087668 374989933 /nfs/dbraw/zinc/98/99/33/374989933.db2.gz GWOLZRWJVPEXQP-NWDGAFQWSA-N 1 0 279.380 2.863 50 0 CFAARO C[C@@H]1C[N@@H+](C2CCCCC2)CC[C@@]1(O)C1CCOCC1 ZINC000091914569 375067913 /nfs/dbraw/zinc/06/79/13/375067913.db2.gz CLFOBZNQKMSYDH-PBHICJAKSA-N 1 0 281.440 2.819 50 0 CFAARO COc1ccccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000092618168 375130124 /nfs/dbraw/zinc/13/01/24/375130124.db2.gz YFEBZMYHZUSELJ-UHFFFAOYSA-N 1 0 271.364 2.729 50 0 CFAARO CC(C)c1nsc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000094266981 375348834 /nfs/dbraw/zinc/34/88/34/375348834.db2.gz ZNHSISAHWMEXAN-GHMZBOCLSA-N 1 0 266.414 2.700 50 0 CFAARO Cc1cscc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000094248342 375349441 /nfs/dbraw/zinc/34/94/41/375349441.db2.gz CIVQDPXJEDVHNY-UHFFFAOYSA-N 1 0 272.373 2.955 50 0 CFAARO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000095462564 375456225 /nfs/dbraw/zinc/45/62/25/375456225.db2.gz TZDRFZOXRJREJY-QWRGUYRKSA-N 1 0 291.420 2.670 50 0 CFAARO c1ccc2c(c1)C[C@H](C[NH2+]C1CSCCSC1)CO2 ZINC000095524486 375460546 /nfs/dbraw/zinc/46/05/46/375460546.db2.gz BPOFICDASSKJIH-GFCCVEGCSA-N 1 0 295.473 2.676 50 0 CFAARO Cc1cccc(NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000095972566 375464286 /nfs/dbraw/zinc/46/42/86/375464286.db2.gz GEUCCHKBFAKSCR-UHFFFAOYSA-N 1 0 282.391 2.862 50 0 CFAARO Cc1cnccc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000095988150 375464558 /nfs/dbraw/zinc/46/45/58/375464558.db2.gz IWCLPZAQHOGIPC-ZACQAIPSSA-N 1 0 286.419 2.870 50 0 CFAARO C[C@]1([NH2+]Cc2ccccc2C(F)(F)F)CCOC1 ZINC000095988511 375466677 /nfs/dbraw/zinc/46/66/77/375466677.db2.gz ZUKIQXLOGNQVEF-LBPRGKRZSA-N 1 0 259.271 2.974 50 0 CFAARO C[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000095988360 375466718 /nfs/dbraw/zinc/46/67/18/375466718.db2.gz HJWKJFRDUPEVBO-NXEZZACHSA-N 1 0 274.286 2.615 50 0 CFAARO CCCn1ncnc1-c1ccc([C@@H](C)[NH+](C)C)cc1 ZINC000096167177 375473549 /nfs/dbraw/zinc/47/35/49/375473549.db2.gz UHHNAGUHPWUWOQ-GFCCVEGCSA-N 1 0 258.369 2.978 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](Cn2sc3ccccc3c2=O)C1 ZINC000095359914 375419879 /nfs/dbraw/zinc/41/98/79/375419879.db2.gz WHBPJXUOBLNMEB-GFCCVEGCSA-N 1 0 276.405 2.793 50 0 CFAARO CC(C)COc1ccccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000095386482 375426947 /nfs/dbraw/zinc/42/69/47/375426947.db2.gz JGKYEZBSDGCZIE-UHFFFAOYSA-N 1 0 271.364 2.757 50 0 CFAARO CCCCn1ccnc1[C@H]1CCC[N@H+](CCOC)C1 ZINC000095384972 375427190 /nfs/dbraw/zinc/42/71/90/375427190.db2.gz NMEIPKZVWCUFHN-AWEZNQCLSA-N 1 0 265.401 2.509 50 0 CFAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCc3nc[nH]c3C2)o1 ZINC000095387208 375428348 /nfs/dbraw/zinc/42/83/48/375428348.db2.gz CTNLLRREMKGLJS-NSHDSACASA-N 1 0 259.353 2.863 50 0 CFAARO CSCc1noc(C2CC[NH+](C(C)C)CC2)n1 ZINC000096153731 375470581 /nfs/dbraw/zinc/47/05/81/375470581.db2.gz PGSSJBMIFMBALU-UHFFFAOYSA-N 1 0 255.387 2.520 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1occc1C)CCC2 ZINC000095402057 375431565 /nfs/dbraw/zinc/43/15/65/375431565.db2.gz SZQZXKHBDZAYCW-ZDUSSCGKSA-N 1 0 259.353 2.760 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1occc1C)CCC2 ZINC000095402058 375431640 /nfs/dbraw/zinc/43/16/40/375431640.db2.gz SZQZXKHBDZAYCW-CYBMUJFWSA-N 1 0 259.353 2.760 50 0 CFAARO CC(C)[NH2+]C1CCN(c2ccc(Cl)cn2)CC1 ZINC000095403366 375433009 /nfs/dbraw/zinc/43/30/09/375433009.db2.gz BZRZYNXTZXVLNU-UHFFFAOYSA-N 1 0 253.777 2.702 50 0 CFAARO COc1cccc(CC[NH2+]Cc2cccc3c[nH]nc32)c1O ZINC000095409412 375434522 /nfs/dbraw/zinc/43/45/22/375434522.db2.gz KATAWMRHESSFHA-UHFFFAOYSA-N 1 0 297.358 2.609 50 0 CFAARO COc1ccccc1OC[C@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000095416645 375438087 /nfs/dbraw/zinc/43/80/87/375438087.db2.gz XTRNFHPPJHXEMC-AWEZNQCLSA-N 1 0 286.375 2.956 50 0 CFAARO COc1ccccc1OC[C@@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000095416646 375438102 /nfs/dbraw/zinc/43/81/02/375438102.db2.gz XTRNFHPPJHXEMC-CQSZACIVSA-N 1 0 286.375 2.956 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)Cc2ccsc2)cn1 ZINC000095419786 375438909 /nfs/dbraw/zinc/43/89/09/375438909.db2.gz DYZJHWFIQQEKQV-NSHDSACASA-N 1 0 262.378 2.873 50 0 CFAARO c1cn(CCC[NH2+][C@@H]2CSCCc3ccccc32)cn1 ZINC000095419101 375439469 /nfs/dbraw/zinc/43/94/69/375439469.db2.gz JATLXCWZDFXGEO-MRXNPFEDSA-N 1 0 287.432 2.893 50 0 CFAARO CNc1ccc(-c2ccc([C@H](C)[NH+](C)C)cc2)nn1 ZINC000096163782 375471411 /nfs/dbraw/zinc/47/14/11/375471411.db2.gz RWLDNEOYEGUURG-NSHDSACASA-N 1 0 256.353 2.808 50 0 CFAARO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CC1)c1cnccn1 ZINC000095421517 375440752 /nfs/dbraw/zinc/44/07/52/375440752.db2.gz QUBZXCOSBXRZGG-LBPRGKRZSA-N 1 0 297.358 2.588 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)o1 ZINC000095421416 375440975 /nfs/dbraw/zinc/44/09/75/375440975.db2.gz OEBRORGKZIHEQW-CQSZACIVSA-N 1 0 286.375 2.945 50 0 CFAARO CC(C)=CC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000095428443 375444261 /nfs/dbraw/zinc/44/42/61/375444261.db2.gz XKDXFSZJLDLIKB-UHFFFAOYSA-N 1 0 255.365 2.987 50 0 CFAARO C[C@H]1CCCCN1C(=O)CC[NH2+]C[C@H]1CC=CCC1 ZINC000095433943 375446500 /nfs/dbraw/zinc/44/65/00/375446500.db2.gz UIMHUKKOGBYEFX-GJZGRUSLSA-N 1 0 264.413 2.723 50 0 CFAARO COC[C@H](O)C[N@H+](C)C1CCC(c2ccccc2)CC1 ZINC000095431560 375446812 /nfs/dbraw/zinc/44/68/12/375446812.db2.gz LTGUZWUQQJBRCT-OFLPRAFFSA-N 1 0 277.408 2.652 50 0 CFAARO COC[C@@H](O)C[N@H+](C)C1CCC(c2ccccc2)CC1 ZINC000095431559 375446979 /nfs/dbraw/zinc/44/69/79/375446979.db2.gz LTGUZWUQQJBRCT-JCYILVPMSA-N 1 0 277.408 2.652 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCCn1cc(C)cn1)CC2 ZINC000095435743 375448617 /nfs/dbraw/zinc/44/86/17/375448617.db2.gz YAZRXKRHWVBCTE-KRWDZBQOSA-N 1 0 299.418 2.737 50 0 CFAARO CS[C@H](C)CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000095441312 375450716 /nfs/dbraw/zinc/45/07/16/375450716.db2.gz XPPIOPKZYYMUFF-SNVBAGLBSA-N 1 0 284.400 2.967 50 0 CFAARO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H](C)[S@](C)=O ZINC000095441232 375450795 /nfs/dbraw/zinc/45/07/95/375450795.db2.gz QBMGRLKZNANFFQ-PIGZYNQJSA-N 1 0 273.829 2.813 50 0 CFAARO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@]1(CCO)CCOC1 ZINC000095441230 375451125 /nfs/dbraw/zinc/45/11/25/375451125.db2.gz HTAHJRYLEHELIV-MRXNPFEDSA-N 1 0 297.826 2.836 50 0 CFAARO CC(C)[NH+]1CCC(OC(=O)C2CCCCC2)CC1 ZINC000095444267 375452111 /nfs/dbraw/zinc/45/21/11/375452111.db2.gz DIYIXEQDGJXAQG-UHFFFAOYSA-N 1 0 253.386 2.983 50 0 CFAARO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000095451702 375454785 /nfs/dbraw/zinc/45/47/85/375454785.db2.gz WNYJQJFTZIMPJP-WDEREUQCSA-N 1 0 296.802 2.681 50 0 CFAARO O=C(OCCc1ccccc1)c1ccn2c[nH+]cc2c1 ZINC000095454581 375455299 /nfs/dbraw/zinc/45/52/99/375455299.db2.gz MDOVVVBEOTVITH-UHFFFAOYSA-N 1 0 266.300 2.734 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000097159333 375532913 /nfs/dbraw/zinc/53/29/13/375532913.db2.gz YTYJYVFLDAVYKR-UHFFFAOYSA-N 1 0 295.390 2.545 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000097159317 375533845 /nfs/dbraw/zinc/53/38/45/375533845.db2.gz NEGOBMJVMIGYDV-UHFFFAOYSA-N 1 0 286.379 2.724 50 0 CFAARO Cc1ccc(NC[C@@H]2CC[N@@H+](CCOC(C)C)C2)nc1 ZINC000097200781 375539566 /nfs/dbraw/zinc/53/95/66/375539566.db2.gz UDAHHPXCXOLRPG-HNNXBMFYSA-N 1 0 277.412 2.549 50 0 CFAARO CCc1c(NC2CC[NH+](C)CC2)cnn1CC(C)C ZINC000097038724 375498567 /nfs/dbraw/zinc/49/85/67/375498567.db2.gz ZZUQDUGFAXBQDX-UHFFFAOYSA-N 1 0 264.417 2.608 50 0 CFAARO C[C@@H]1OCC[C@H]1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000097038511 375498894 /nfs/dbraw/zinc/49/88/94/375498894.db2.gz AVASIWACPVZONV-WMLDXEAASA-N 1 0 274.408 2.914 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cnccn2)C1 ZINC000097047824 375502803 /nfs/dbraw/zinc/50/28/03/375502803.db2.gz PAVPJDFTOOKOFZ-CABCVRRESA-N 1 0 274.412 2.567 50 0 CFAARO Cc1[nH+]c2ccccc2c(N2CCC[C@@H](C(N)=O)C2)c1C ZINC000097085899 375513972 /nfs/dbraw/zinc/51/39/72/375513972.db2.gz FJXUUACEXGDJMM-CYBMUJFWSA-N 1 0 283.375 2.553 50 0 CFAARO CC(C)[C@@H](CO)[NH2+]Cc1csc(C2CCCC2)n1 ZINC000097094665 375515286 /nfs/dbraw/zinc/51/52/86/375515286.db2.gz IJMVRNCJNLEMSO-CYBMUJFWSA-N 1 0 268.426 2.907 50 0 CFAARO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)CS(C)(=O)=O ZINC000097103594 375518136 /nfs/dbraw/zinc/51/81/36/375518136.db2.gz SKJMCQFHCJMJCI-FVQBIDKESA-N 1 0 295.448 2.593 50 0 CFAARO O=C(NC1CCCC1)C12CC(C1)C[N@@H+]2Cc1ccccc1 ZINC000097124405 375525894 /nfs/dbraw/zinc/52/58/94/375525894.db2.gz FDZWYPRRRTWCAE-UHFFFAOYSA-N 1 0 284.403 2.710 50 0 CFAARO Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)o1 ZINC000097139205 375527040 /nfs/dbraw/zinc/52/70/40/375527040.db2.gz ZUVURSWSSPQVGO-CQSZACIVSA-N 1 0 273.380 2.776 50 0 CFAARO O[C@@H](C[NH2+][C@H](c1cc(F)ccc1F)C1CC1)C(F)(F)F ZINC000097141847 375528514 /nfs/dbraw/zinc/52/85/14/375528514.db2.gz WFOWRQDTKBARIV-RYUDHWBXSA-N 1 0 295.251 2.929 50 0 CFAARO C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCCO1 ZINC000097244182 375545332 /nfs/dbraw/zinc/54/53/32/375545332.db2.gz QWDCFRGCSXQIAJ-ZDUSSCGKSA-N 1 0 271.364 2.688 50 0 CFAARO Cc1nc[nH]c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000097815182 375586560 /nfs/dbraw/zinc/58/65/60/375586560.db2.gz MNIIILWHHOCNEH-ZDUSSCGKSA-N 1 0 259.328 2.847 50 0 CFAARO CCCCSc1ncc(CN2CCC[C@H]([NH3+])CC2)cn1 ZINC000097259149 375546608 /nfs/dbraw/zinc/54/66/08/375546608.db2.gz RYPZPDSSCNOYID-AWEZNQCLSA-N 1 0 294.468 2.682 50 0 CFAARO Nc1nc2c(s1)C[N@H+](C/C=C\c1ccccc1)CC2 ZINC000097372002 375552344 /nfs/dbraw/zinc/55/23/44/375552344.db2.gz CNWFDOWIHNENSD-DAXSKMNVSA-N 1 0 271.389 2.797 50 0 CFAARO Cc1cc([C@H](C)[NH2+]CC(=O)N2CCC[C@@H](C)C2)c(C)o1 ZINC000097373939 375553879 /nfs/dbraw/zinc/55/38/79/375553879.db2.gz TXMPFKPWUGOHCJ-YPMHNXCESA-N 1 0 278.396 2.806 50 0 CFAARO Cc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000097378741 375556242 /nfs/dbraw/zinc/55/62/42/375556242.db2.gz HASUKRZANRIZBP-OAHLLOKOSA-N 1 0 298.390 2.814 50 0 CFAARO CC1(C)Cc2cc(CN3C[C@@H]4CC[C@H]3C[NH2+]C4)ccc2O1 ZINC000097495570 375566721 /nfs/dbraw/zinc/56/67/21/375566721.db2.gz CKWCBYZRLZFWTB-ZBFHGGJFSA-N 1 0 286.419 2.584 50 0 CFAARO c1coc(-c2ccc(CN3C[C@@H]4CC[NH2+][C@@H]4C3)cc2)c1 ZINC000097570820 375568874 /nfs/dbraw/zinc/56/88/74/375568874.db2.gz ONQNTCASKDYLDP-JKSUJKDBSA-N 1 0 268.360 2.740 50 0 CFAARO CC[N@H+](Cc1nccs1)[C@@H]1CCOC(C)(C)C1 ZINC000097642627 375574989 /nfs/dbraw/zinc/57/49/89/375574989.db2.gz FMBNKPFSAPLCOD-LLVKDONJSA-N 1 0 254.399 2.923 50 0 CFAARO OC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000112717316 375955188 /nfs/dbraw/zinc/95/51/88/375955188.db2.gz DFSYVVJHTRZKAP-UHFFFAOYSA-N 1 0 290.190 2.625 50 0 CFAARO Cn1cc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cn1 ZINC000120167634 376558471 /nfs/dbraw/zinc/55/84/71/376558471.db2.gz WKHSVDYIJCJLJO-HNNXBMFYSA-N 1 0 291.782 2.727 50 0 CFAARO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)Nc1ccncc1 ZINC000133673465 377949171 /nfs/dbraw/zinc/94/91/71/377949171.db2.gz XOTJZZMDEOELST-IRXDYDNUSA-N 1 0 295.386 2.946 50 0 CFAARO C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)C[C@@H](C)[NH2+]1 ZINC000153841367 378516904 /nfs/dbraw/zinc/51/69/04/378516904.db2.gz NDVNKIRJZPBOCA-NXEZZACHSA-N 1 0 286.828 2.543 50 0 CFAARO Cc1[nH]nc2ncc(C[NH2+]CCc3ccsc3)cc12 ZINC000048341107 412902110 /nfs/dbraw/zinc/90/21/10/412902110.db2.gz ORTVGBCYWRXDKQ-UHFFFAOYSA-N 1 0 272.377 2.660 50 0 CFAARO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1cccc(F)c1 ZINC000166670830 379060589 /nfs/dbraw/zinc/06/05/89/379060589.db2.gz DUDUSDFHHWCIOA-SIMVJXQJSA-N 1 0 257.374 2.633 50 0 CFAARO O=C1CCC2(CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000169676371 379107919 /nfs/dbraw/zinc/10/79/19/379107919.db2.gz XYFLGASBEXRDMB-UHFFFAOYSA-N 1 0 272.392 2.569 50 0 CFAARO [NH3+]CCc1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000169725147 379109053 /nfs/dbraw/zinc/10/90/53/379109053.db2.gz KNEJBNSHORSFKK-UHFFFAOYSA-N 1 0 270.332 2.937 50 0 CFAARO Cc1cc([C@H]2C[N@H+](C[C@H]3CCOC3)CCO2)ccc1F ZINC000334391923 379215063 /nfs/dbraw/zinc/21/50/63/379215063.db2.gz WJUZHVWHEBGVAF-CZUORRHYSA-N 1 0 279.355 2.544 50 0 CFAARO OC1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000048686506 412914040 /nfs/dbraw/zinc/91/40/40/412914040.db2.gz SDDHXPGNCGRRSK-UHFFFAOYSA-N 1 0 283.375 2.537 50 0 CFAARO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000174270682 379855687 /nfs/dbraw/zinc/85/56/87/379855687.db2.gz QFJQVDJZUAFXIV-OAHLLOKOSA-N 1 0 286.419 2.957 50 0 CFAARO Cc1ccccc1C(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000179218076 380520612 /nfs/dbraw/zinc/52/06/12/380520612.db2.gz KPKBBEBDEUAOPX-HUUCEWRRSA-N 1 0 288.435 2.858 50 0 CFAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178582431 380466530 /nfs/dbraw/zinc/46/65/30/380466530.db2.gz QFBHOHYLXNLKQO-LLVKDONJSA-N 1 0 293.436 2.530 50 0 CFAARO CC(=O)N1C[C@H](C)c2scc(C)[n+]2-c2ccccc21 ZINC000000112691 169540152 /nfs/dbraw/zinc/54/01/52/169540152.db2.gz VZQZACSXLGCRFP-JTQLQIEISA-N 1 0 273.381 2.803 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000409420945 380958796 /nfs/dbraw/zinc/95/87/96/380958796.db2.gz KDUYQZVDPZMXSO-CYBMUJFWSA-N 1 0 287.407 2.718 50 0 CFAARO C[C@H](O)CN1CC[N@H+](CC[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000408515555 380935839 /nfs/dbraw/zinc/93/58/39/380935839.db2.gz BRLQJCNQEKRTJM-ULQDDVLXSA-N 1 0 290.451 2.567 50 0 CFAARO OCC[N@H+](Cc1nsc2ccccc21)C1CCC1 ZINC000408525468 380941469 /nfs/dbraw/zinc/94/14/69/380941469.db2.gz APZIJYIXYQYLBB-UHFFFAOYSA-N 1 0 262.378 2.643 50 0 CFAARO OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000342040100 381208177 /nfs/dbraw/zinc/20/81/77/381208177.db2.gz BNFHGFXSCTXDDD-QGZVFWFLSA-N 1 0 299.418 2.999 50 0 CFAARO CC(C)COCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000369513036 381277393 /nfs/dbraw/zinc/27/73/93/381277393.db2.gz YSAKHPGHTQMIIM-INIZCTEOSA-N 1 0 268.445 2.609 50 0 CFAARO Cc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)nc1 ZINC000342440025 381331918 /nfs/dbraw/zinc/33/19/18/381331918.db2.gz OPKBCCGYYPKRLW-CYBMUJFWSA-N 1 0 254.333 2.656 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000000277841 169595278 /nfs/dbraw/zinc/59/52/78/169595278.db2.gz CYROGSYQLSPWNR-DHINHOHASA-N 1 0 273.376 2.975 50 0 CFAARO OC[C@@]1(c2ccccc2)CC[N@H+](Cc2ccsc2)C1 ZINC000291299445 381740390 /nfs/dbraw/zinc/74/03/90/381740390.db2.gz QLETXNTTWNWIBU-MRXNPFEDSA-N 1 0 273.401 2.884 50 0 CFAARO O[C@H](CCc1ccccc1)c1ccc2c(c1)C[NH2+]CCO2 ZINC000299764117 382043480 /nfs/dbraw/zinc/04/34/80/382043480.db2.gz SSAFWKQZJVSQEL-QGZVFWFLSA-N 1 0 283.371 2.835 50 0 CFAARO CC[C@H](NC(=O)C[N@H+](C)C1CCCC1)c1ccc(C)cn1 ZINC000299782890 382045567 /nfs/dbraw/zinc/04/55/67/382045567.db2.gz YTCYNGNQBHPKGI-HNNXBMFYSA-N 1 0 289.423 2.832 50 0 CFAARO Cc1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274364 382075387 /nfs/dbraw/zinc/07/53/87/382075387.db2.gz ADTGALUMSOTMAN-QGZVFWFLSA-N 1 0 275.392 2.876 50 0 CFAARO Cn1cncc1C[NH2+]C1CC(C)(c2ccc(F)cc2)C1 ZINC000377796625 382348209 /nfs/dbraw/zinc/34/82/09/382348209.db2.gz RDHAFEJOGBFCKJ-UHFFFAOYSA-N 1 0 273.355 2.769 50 0 CFAARO Brc1ccc(C[NH2+][C@H]2CCSC2)o1 ZINC000188738290 382467626 /nfs/dbraw/zinc/46/76/26/382467626.db2.gz JFXPOBWIUDWSPT-ZETCQYMHSA-N 1 0 262.172 2.637 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000328596366 382552034 /nfs/dbraw/zinc/55/20/34/382552034.db2.gz JSOUXMZJVOEGJR-ZRQQLDRUSA-N 1 0 298.839 2.873 50 0 CFAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000189474569 382613287 /nfs/dbraw/zinc/61/32/87/382613287.db2.gz HZYUJJFVKAFJDC-DGCLKSJQSA-N 1 0 284.762 2.613 50 0 CFAARO CC[C@H](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189966778 382647637 /nfs/dbraw/zinc/64/76/37/382647637.db2.gz USTRWZRJTUKRKV-AWEZNQCLSA-N 1 0 289.423 2.850 50 0 CFAARO C[C@@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1CO ZINC000191720317 382702124 /nfs/dbraw/zinc/70/21/24/382702124.db2.gz AKUCITNBBRFQDX-PWSUYJOCSA-N 1 0 289.297 2.645 50 0 CFAARO CC(C)Cc1ccc([C@@H](NCc2nnn(C)n2)C2CC2)cc1 ZINC000193478497 382720181 /nfs/dbraw/zinc/72/01/81/382720181.db2.gz HIBJZOHVRZSGOR-QGZVFWFLSA-N 1 0 299.422 2.650 50 0 CFAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000195529694 382768780 /nfs/dbraw/zinc/76/87/80/382768780.db2.gz RYBBGEILDAKLLE-QZTJIDSGSA-N 1 0 294.398 2.573 50 0 CFAARO Cc1c[nH+]c(C)n1CCNC(=O)CCCc1ccccc1 ZINC000575555495 382773627 /nfs/dbraw/zinc/77/36/27/382773627.db2.gz NVCFAZUPZDSPEA-UHFFFAOYSA-N 1 0 285.391 2.639 50 0 CFAARO CC(=O)Nc1ccc(C[N@H+](C)Cc2c(C)n[nH]c2C)cc1 ZINC000215047053 382777378 /nfs/dbraw/zinc/77/73/78/382777378.db2.gz OMLZOLLTDRACLY-UHFFFAOYSA-N 1 0 286.379 2.617 50 0 CFAARO CSc1cccc(CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000215025509 382777416 /nfs/dbraw/zinc/77/74/16/382777416.db2.gz FUESOBKYCDTVMJ-UHFFFAOYSA-N 1 0 264.438 2.935 50 0 CFAARO CC1=CC[N@H+](Cc2cnc(-c3ccccn3)nc2)CC1 ZINC000215073294 382777566 /nfs/dbraw/zinc/77/75/66/382777566.db2.gz ANVCCKHERUZKLG-UHFFFAOYSA-N 1 0 266.348 2.691 50 0 CFAARO COC[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000215218491 382777908 /nfs/dbraw/zinc/77/79/08/382777908.db2.gz QMNWQAMPEZDRNR-CQSZACIVSA-N 1 0 256.349 2.703 50 0 CFAARO Cc1cc2c(cc1C[NH+]1CCC(F)(F)CC1)OCCO2 ZINC000215389198 382778572 /nfs/dbraw/zinc/77/85/72/382778572.db2.gz RWTXKMUVBPQPQP-UHFFFAOYSA-N 1 0 283.318 2.997 50 0 CFAARO Cc1noc([C@H](C)N(C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000215539834 382779273 /nfs/dbraw/zinc/77/92/73/382779273.db2.gz HZUVYTULSAQRSE-JTQLQIEISA-N 1 0 294.424 2.694 50 0 CFAARO C[N@H+](CCn1ccnc1)Cc1ccc2cc(F)ccc2n1 ZINC000215605847 382779526 /nfs/dbraw/zinc/77/95/26/382779526.db2.gz FKTMFRTVRLKYQE-UHFFFAOYSA-N 1 0 284.338 2.702 50 0 CFAARO CCCn1ccnc1C[N@H+](CC)CC1CCOCC1 ZINC000215748492 382780260 /nfs/dbraw/zinc/78/02/60/382780260.db2.gz YRPLSKRXMALUOV-UHFFFAOYSA-N 1 0 265.401 2.542 50 0 CFAARO Cn1ccnc1CCC[N@H+](C)C/C=C/c1ccccc1 ZINC000215710827 382780456 /nfs/dbraw/zinc/78/04/56/382780456.db2.gz NWDHTWOUPGXXBK-UXBLZVDNSA-N 1 0 269.392 2.998 50 0 CFAARO C[N@@H+](Cc1cccc(Cn2cccn2)c1)C[C@H]1CCCCO1 ZINC000215837990 382780667 /nfs/dbraw/zinc/78/06/67/382780667.db2.gz AUNWCZOBLPYJPI-GOSISDBHSA-N 1 0 299.418 2.932 50 0 CFAARO CCc1nccc(CN2CCC[C@@H]2c2nccs2)n1 ZINC000215991446 382781126 /nfs/dbraw/zinc/78/11/26/382781126.db2.gz WXGQBVYNMCKCKO-GFCCVEGCSA-N 1 0 274.393 2.833 50 0 CFAARO CSCCCN1CC(Oc2cccc(C)c2)C1 ZINC000216229529 382782676 /nfs/dbraw/zinc/78/26/76/382782676.db2.gz RTARAMUZESVHIH-UHFFFAOYSA-N 1 0 251.395 2.811 50 0 CFAARO COc1ccc(CN2CCO[C@H](CC(C)C)C2)c(OC)c1 ZINC000216236821 382782747 /nfs/dbraw/zinc/78/27/47/382782747.db2.gz LKXDZYVOSCSKID-MRXNPFEDSA-N 1 0 293.407 2.951 50 0 CFAARO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc2sccc2c1 ZINC000216309419 382782934 /nfs/dbraw/zinc/78/29/34/382782934.db2.gz IUYPLZFVHFXWCK-LBPRGKRZSA-N 1 0 274.389 2.517 50 0 CFAARO Cn1cc(CC[N@H+](C)C/C=C/c2ccc(F)cc2)cn1 ZINC000216415915 382783786 /nfs/dbraw/zinc/78/37/86/382783786.db2.gz PWSYHDUPBCJDGA-ONEGZZNKSA-N 1 0 273.355 2.747 50 0 CFAARO O=C(CCc1cccc(Cl)c1)NC[C@@H]1CCCCC[NH2+]1 ZINC000222863974 382803712 /nfs/dbraw/zinc/80/37/12/382803712.db2.gz OTXLEZSHLDREPR-HNNXBMFYSA-N 1 0 294.826 2.921 50 0 CFAARO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C)O)o1 ZINC000225391694 382814944 /nfs/dbraw/zinc/81/49/44/382814944.db2.gz CFMSXYMUNFVNFM-JTQLQIEISA-N 1 0 263.312 2.865 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1 ZINC000225406749 382815589 /nfs/dbraw/zinc/81/55/89/382815589.db2.gz PJHYIRNUXVYHOX-CHWSQXEVSA-N 1 0 288.370 2.726 50 0 CFAARO Cc1ccnc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000227115191 382833945 /nfs/dbraw/zinc/83/39/45/382833945.db2.gz JQWKXKGWVNWQGV-CVEARBPZSA-N 1 0 295.386 2.674 50 0 CFAARO Cn1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000230102011 382855588 /nfs/dbraw/zinc/85/55/88/382855588.db2.gz GMZNYPJBRUTMIJ-KBAYOESNSA-N 1 0 296.418 2.743 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccno2)C12CCCCC2 ZINC000231880565 382867565 /nfs/dbraw/zinc/86/75/65/382867565.db2.gz CQBGIHRBXMSRDT-ZIAGYGMSSA-N 1 0 264.369 2.892 50 0 CFAARO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ncnn1CC(C)C ZINC000233850543 382872346 /nfs/dbraw/zinc/87/23/46/382872346.db2.gz NSTNZOMXBYCXSP-OLZOCXBDSA-N 1 0 282.457 2.698 50 0 CFAARO COc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000237170127 382951634 /nfs/dbraw/zinc/95/16/34/382951634.db2.gz ADCSOJXYJZOYLJ-UHFFFAOYSA-N 1 0 297.402 2.849 50 0 CFAARO COc1ccc2oc([C@@H](C)NC(=O)C(C)(C)[NH3+])c(C)c2c1 ZINC000237342430 382957227 /nfs/dbraw/zinc/95/72/27/382957227.db2.gz NBBOVOXHTKANAE-SNVBAGLBSA-N 1 0 290.363 2.664 50 0 CFAARO CCCc1cc(C(=O)N2CCC[C@@H]2C[NH3+])sc1C ZINC000236898136 382928308 /nfs/dbraw/zinc/92/83/08/382928308.db2.gz PBQYXBISNZUYDL-GFCCVEGCSA-N 1 0 266.410 2.572 50 0 CFAARO CCCc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000236912739 382930100 /nfs/dbraw/zinc/93/01/00/382930100.db2.gz PVTUXYMOFXMUMZ-IUODEOHRSA-N 1 0 260.381 2.591 50 0 CFAARO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1)c1ccc(F)cc1 ZINC000242106205 382984618 /nfs/dbraw/zinc/98/46/18/382984618.db2.gz WHVVKDCXCLTFGU-WMLDXEAASA-N 1 0 291.366 2.899 50 0 CFAARO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000241837553 382984687 /nfs/dbraw/zinc/98/46/87/382984687.db2.gz SLAACSBZTKIVHG-GJZGRUSLSA-N 1 0 292.448 2.567 50 0 CFAARO C[N@H+](CCCc1cccnc1)CC[C@@H]1CCCCO1 ZINC000244691793 382989571 /nfs/dbraw/zinc/98/95/71/382989571.db2.gz JJLTYPPWJFOJGC-INIZCTEOSA-N 1 0 262.397 2.905 50 0 CFAARO CCc1cc(CN(C)CC[N@H+](C)C2CCCC2)on1 ZINC000244723481 382991462 /nfs/dbraw/zinc/99/14/62/382991462.db2.gz MCLKNYLLHJDJCW-UHFFFAOYSA-N 1 0 265.401 2.543 50 0 CFAARO CNc1nc(C[N@@H+]2CCCC[C@H]2CCCOC)cs1 ZINC000244735036 382991572 /nfs/dbraw/zinc/99/15/72/382991572.db2.gz NRZSONRIUPYGLU-ZDUSSCGKSA-N 1 0 283.441 2.966 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1C ZINC000245338749 382997434 /nfs/dbraw/zinc/99/74/34/382997434.db2.gz OHTOEJUPYIGBJZ-RWMBFGLXSA-N 1 0 295.379 2.528 50 0 CFAARO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000245333864 382997542 /nfs/dbraw/zinc/99/75/42/382997542.db2.gz BJXUGKXVPDLLME-HIFRSBDPSA-N 1 0 286.375 2.501 50 0 CFAARO COc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[C@H]2O)cc1 ZINC000245343894 382997966 /nfs/dbraw/zinc/99/79/66/382997966.db2.gz WHZXLODWUHMEOH-IVMMDQJWSA-N 1 0 263.381 2.549 50 0 CFAARO O=C(CC1CC[NH2+]CC1)NC1(c2ccc(Cl)cc2)CC1 ZINC000237657997 382967372 /nfs/dbraw/zinc/96/73/72/382967372.db2.gz LXUXPJWTNBWESZ-UHFFFAOYSA-N 1 0 292.810 2.835 50 0 CFAARO Cc1ccccc1-c1cnc(NC(=O)[C@H]2CC[NH2+]C2)s1 ZINC000237698860 382968633 /nfs/dbraw/zinc/96/86/33/382968633.db2.gz JSWGNFYLNMCOQM-NSHDSACASA-N 1 0 287.388 2.667 50 0 CFAARO Cc1ccc(/C=C/C(=O)N2CCC(C[NH3+])CC2)c(C)c1 ZINC000237816540 382970941 /nfs/dbraw/zinc/97/09/41/382970941.db2.gz PAGIFQVMXBOYPU-AATRIKPKSA-N 1 0 272.392 2.514 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1csc(C)n1 ZINC000248035817 383207447 /nfs/dbraw/zinc/20/74/47/383207447.db2.gz NFJSSGZFRBMIKB-UONOGXRCSA-N 1 0 293.436 2.540 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000248043958 383209716 /nfs/dbraw/zinc/20/97/16/383209716.db2.gz UMFCHFGVXDEKTJ-RHSMWYFYSA-N 1 0 284.407 2.643 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCC(=O)NCc2cccnc2)C[C@H]1C ZINC000248658223 383279533 /nfs/dbraw/zinc/27/95/33/383279533.db2.gz XTIJTZFFCJHQNY-FMKPAKJESA-N 1 0 289.423 2.502 50 0 CFAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC=CC1 ZINC000248859614 383299418 /nfs/dbraw/zinc/29/94/18/383299418.db2.gz PPQZYQWXXYHCCV-WMLDXEAASA-N 1 0 284.403 2.589 50 0 CFAARO O=C(C1CCC1)N1CCC[N@H+](CCCc2ccco2)CC1 ZINC000252506609 383415293 /nfs/dbraw/zinc/41/52/93/383415293.db2.gz WBNYQCPOIBYALK-UHFFFAOYSA-N 1 0 290.407 2.547 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000525195304 383397746 /nfs/dbraw/zinc/39/77/46/383397746.db2.gz DRTRVQAQJYKPNM-NSHDSACASA-N 1 0 261.369 2.856 50 0 CFAARO Cc1nc2ncc(-c3ccc([C@H](C)[NH+](C)C)cc3)cn2n1 ZINC000426517808 383403982 /nfs/dbraw/zinc/40/39/82/383403982.db2.gz HOZXWSFIZPVPLR-NSHDSACASA-N 1 0 281.363 2.722 50 0 CFAARO CCCCCSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426662051 383408877 /nfs/dbraw/zinc/40/88/77/383408877.db2.gz DVKOTQHAIRSLFD-UHFFFAOYSA-N 1 0 268.430 2.564 50 0 CFAARO Fc1cccc(C2(CNC3=[NH+]CCCN3)CCCCC2)c1 ZINC000252483874 383411264 /nfs/dbraw/zinc/41/12/64/383411264.db2.gz FKKYTHGHMMNIBT-UHFFFAOYSA-N 1 0 289.398 2.967 50 0 CFAARO C[N@H+](CCc1cn[nH]c1)[C@H]1CCCc2ccccc21 ZINC000252483744 383411552 /nfs/dbraw/zinc/41/15/52/383411552.db2.gz FHROJGRIZUQSAT-INIZCTEOSA-N 1 0 255.365 2.962 50 0 CFAARO Cc1cnccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000252488700 383412642 /nfs/dbraw/zinc/41/26/42/383412642.db2.gz IXEPGOFCXJCEFP-UHFFFAOYSA-N 1 0 260.381 2.783 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000249690734 383355881 /nfs/dbraw/zinc/35/58/81/383355881.db2.gz KQYKDJGMALWGDI-HZPDHXFCSA-N 1 0 290.382 2.915 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2C2CCCCC2)C1 ZINC000251074396 383384502 /nfs/dbraw/zinc/38/45/02/383384502.db2.gz GERNVYCTUDTLBA-ZNMIVQPWSA-N 1 0 264.413 2.685 50 0 CFAARO CCn1nccc1CC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000253420882 383458072 /nfs/dbraw/zinc/45/80/72/383458072.db2.gz NGOZKEABIFDXFE-MAUKXSAKSA-N 1 0 299.418 2.908 50 0 CFAARO FC(F)COCC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000253421321 383458509 /nfs/dbraw/zinc/45/85/09/383458509.db2.gz UPVUHFPLUSJKJA-ZDUSSCGKSA-N 1 0 295.333 2.565 50 0 CFAARO Cc1ccc2cc(CN3CC[N@@H+]4CCC[C@H]4C3)c(=O)[nH]c2c1 ZINC000253531351 383461986 /nfs/dbraw/zinc/46/19/86/383461986.db2.gz CMZAGXZMLQCMAZ-INIZCTEOSA-N 1 0 297.402 2.529 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)C1 ZINC000255008811 383473983 /nfs/dbraw/zinc/47/39/83/383473983.db2.gz UNFXXXWVHJSTSK-RYBZSIHZSA-N 1 0 298.308 2.526 50 0 CFAARO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000252512798 383417275 /nfs/dbraw/zinc/41/72/75/383417275.db2.gz VUBIDVFFVQAHLR-HZPDHXFCSA-N 1 0 295.448 2.701 50 0 CFAARO Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000252536844 383418203 /nfs/dbraw/zinc/41/82/03/383418203.db2.gz JRAKQEOYQIUSKM-JKSUJKDBSA-N 1 0 295.386 2.674 50 0 CFAARO CO[C@@H](C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000252572432 383419650 /nfs/dbraw/zinc/41/96/50/383419650.db2.gz ZHZBSMOHGWAUKG-MSOLQXFVSA-N 1 0 298.386 2.922 50 0 CFAARO CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000252571966 383420119 /nfs/dbraw/zinc/42/01/19/383420119.db2.gz YOQVJUKLNKCWKT-KCXAZCMYSA-N 1 0 280.387 2.586 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000252586069 383420705 /nfs/dbraw/zinc/42/07/05/383420705.db2.gz NGBLSBKZBFWKHH-XOKHGSTOSA-N 1 0 277.408 2.854 50 0 CFAARO Cc1cccc(C[N@@H+]2CCCCCCNC(=O)CC2)c1 ZINC000257182467 383490779 /nfs/dbraw/zinc/49/07/79/383490779.db2.gz PIIWHGNCHJHYBQ-UHFFFAOYSA-N 1 0 274.408 2.877 50 0 CFAARO Cc1ccc(C[N@@H+]2CCCCCCNC(=O)CC2)s1 ZINC000257181117 383490934 /nfs/dbraw/zinc/49/09/34/383490934.db2.gz MKOLNZBXZRWIIB-UHFFFAOYSA-N 1 0 280.437 2.939 50 0 CFAARO CCN(Cc1ccncc1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261698584 383544341 /nfs/dbraw/zinc/54/43/41/383544341.db2.gz OAWXXHVUHRIEQX-INIZCTEOSA-N 1 0 289.423 2.728 50 0 CFAARO CS[C@H]1CCCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000277688543 384374939 /nfs/dbraw/zinc/37/49/39/384374939.db2.gz FRBUWXLPXFHYQT-ZDUSSCGKSA-N 1 0 292.452 2.799 50 0 CFAARO FC(F)(F)C1=CCN(c2cc(N3CCCC3)ncn2)CC1 ZINC000277747703 384393612 /nfs/dbraw/zinc/39/36/12/384393612.db2.gz JOYCDNMQLLMQSJ-UHFFFAOYSA-N 1 0 298.312 2.776 50 0 CFAARO Cn1cncc1C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000112340499 412989802 /nfs/dbraw/zinc/98/98/02/412989802.db2.gz XIKARMBRPOHWEB-MNOVXSKESA-N 1 0 261.291 2.631 50 0 CFAARO CC(C)n1cc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cn1 ZINC000282233723 385255964 /nfs/dbraw/zinc/25/59/64/385255964.db2.gz FQOOTLWBIZZWSP-GOSISDBHSA-N 1 0 299.418 2.778 50 0 CFAARO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000271031315 385310657 /nfs/dbraw/zinc/31/06/57/385310657.db2.gz HVVUNUMAPDDMML-JTQLQIEISA-N 1 0 261.291 2.801 50 0 CFAARO COc1cccc(OC)c1C[NH2+]C[C@@H]1CCSC1 ZINC000286213229 385572620 /nfs/dbraw/zinc/57/26/20/385572620.db2.gz YKPLFBDRODXGKR-NSHDSACASA-N 1 0 267.394 2.547 50 0 CFAARO [NH3+][C@H]1CCO[C@H](c2cccc(Br)c2)C1 ZINC000238688474 256699071 /nfs/dbraw/zinc/69/90/71/256699071.db2.gz WDMKSHMULLGORP-QWRGUYRKSA-N 1 0 256.143 2.628 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000521394149 256855074 /nfs/dbraw/zinc/85/50/74/256855074.db2.gz NQXIZMDQDUQHTP-DYWXZXKOSA-N 1 0 293.382 2.918 50 0 CFAARO c1cc(-c2cncnc2)ccc1OCC[NH+]1CCCC1 ZINC000096152726 256883842 /nfs/dbraw/zinc/88/38/42/256883842.db2.gz HSGXEMUKUKULBM-UHFFFAOYSA-N 1 0 269.348 2.618 50 0 CFAARO COC(C)(C)C[C@H](C)[NH+]1CC(Oc2ccccc2)C1 ZINC000824250081 781989459 /nfs/dbraw/zinc/98/94/59/781989459.db2.gz HZFREKUGSAPGIN-ZDUSSCGKSA-N 1 0 263.381 2.953 50 0 CFAARO O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000000567958 169669584 /nfs/dbraw/zinc/66/95/84/169669584.db2.gz PTKOMVIMQJNZFY-HNNXBMFYSA-N 1 0 283.799 2.703 50 0 CFAARO O[C@H](C[NH2+][C@H]1CCCSC1)c1ccccc1Cl ZINC000097370848 285357220 /nfs/dbraw/zinc/35/72/20/285357220.db2.gz IVMDEAUYYOOGIA-GXFFZTMASA-N 1 0 271.813 2.859 50 0 CFAARO C[C@@H]([NH2+]CCNC(=O)C(C)(C)C)c1cc(F)cc(F)c1 ZINC000096478753 533396889 /nfs/dbraw/zinc/39/68/89/533396889.db2.gz ALLDSKWNAVAZPW-SNVBAGLBSA-N 1 0 284.350 2.778 50 0 CFAARO Nc1cccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000003066394 393455072 /nfs/dbraw/zinc/45/50/72/393455072.db2.gz QMUPZBBJTKGJIF-HOCLYGCPSA-N 1 0 288.391 2.690 50 0 CFAARO CCOC(=O)OC1(c2ccc(Cl)nc2)CC[NH+](C)CC1 ZINC000005672652 393460630 /nfs/dbraw/zinc/46/06/30/393460630.db2.gz DWVQCGQFVDFOLX-UHFFFAOYSA-N 1 0 298.770 2.829 50 0 CFAARO CC(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4[NH3+])cc1 ZINC000019331560 393483383 /nfs/dbraw/zinc/48/33/83/393483383.db2.gz SZLHPXCMDYPSPR-UHFFFAOYSA-N 1 0 299.462 2.793 50 0 CFAARO CC(C)c1cccc(OCCCCN2CC[NH2+]CC2)c1 ZINC000020272297 393485541 /nfs/dbraw/zinc/48/55/41/393485541.db2.gz XGBRLHLCUDFXIA-UHFFFAOYSA-N 1 0 276.424 2.874 50 0 CFAARO CC[C@@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000182051216 393506537 /nfs/dbraw/zinc/50/65/37/393506537.db2.gz PIZVUHKMJMEDQM-HIFRSBDPSA-N 1 0 251.370 2.753 50 0 CFAARO Cc1csc2c1ncnc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000189978857 393577628 /nfs/dbraw/zinc/57/76/28/393577628.db2.gz XZATXOHPURNLRY-LBPRGKRZSA-N 1 0 288.420 2.674 50 0 CFAARO Brc1ccc(CN2CCC[N@@H+](C3CC3)CC2)o1 ZINC000191288918 393592334 /nfs/dbraw/zinc/59/23/34/393592334.db2.gz JQZWAZMOAXNRSP-UHFFFAOYSA-N 1 0 299.212 2.712 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1Cl ZINC000063022346 393628242 /nfs/dbraw/zinc/62/82/42/393628242.db2.gz JSSYDNTYTZTBEW-LBPRGKRZSA-N 1 0 266.772 2.602 50 0 CFAARO C[C@H](COc1ccccc1)[NH2+]Cc1cn2ccccc2n1 ZINC000065530759 393631790 /nfs/dbraw/zinc/63/17/90/393631790.db2.gz FCOXJKZXWSGDIQ-CQSZACIVSA-N 1 0 281.359 2.891 50 0 CFAARO COC(=O)CC1([NH2+]C[C@H]2C(C)=CCC[C@H]2C)CCOCC1 ZINC000225515882 393768791 /nfs/dbraw/zinc/76/87/91/393768791.db2.gz LPHIVDCCDUGPHI-CABCVRRESA-N 1 0 295.423 2.681 50 0 CFAARO CCc1nc2ccccc2n1C1CC[NH+](CCOC)CC1 ZINC000093299789 393797310 /nfs/dbraw/zinc/79/73/10/393797310.db2.gz IQQPXQYAQDJOAA-UHFFFAOYSA-N 1 0 287.407 2.882 50 0 CFAARO CCNC(=O)C[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000096424740 393829895 /nfs/dbraw/zinc/82/98/95/393829895.db2.gz QAERMYSONBOZPX-UHFFFAOYSA-N 1 0 264.369 2.550 50 0 CFAARO CCn1cnnc1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426551790 393888901 /nfs/dbraw/zinc/88/89/01/393888901.db2.gz KVDMVHJXDBFUST-HNNXBMFYSA-N 1 0 284.407 2.924 50 0 CFAARO CO[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000097081033 393841086 /nfs/dbraw/zinc/84/10/86/393841086.db2.gz DGRJVBXOWMOTNQ-KBPBESRZSA-N 1 0 295.452 2.659 50 0 CFAARO CSCCCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245966690 393841500 /nfs/dbraw/zinc/84/15/00/393841500.db2.gz ZDIBZCFQUBJLKF-YNEHKIRRSA-N 1 0 257.443 2.923 50 0 CFAARO C[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)Cc2ccccn2)[C@H]1C ZINC000252487297 393935615 /nfs/dbraw/zinc/93/56/15/393935615.db2.gz VGULFCFEMANQHA-DLTWYDFYSA-N 1 0 276.424 2.647 50 0 CFAARO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C2 ZINC000252510122 393937278 /nfs/dbraw/zinc/93/72/78/393937278.db2.gz ZBVOQQIZZABFRE-GXTWGEPZSA-N 1 0 271.364 2.563 50 0 CFAARO CC(=O)N1CC[N@H+](C[C@@H]2CCC=CO2)CC12CCCCC2 ZINC000253429301 393941726 /nfs/dbraw/zinc/94/17/26/393941726.db2.gz SRJJCNJPEHQKRJ-INIZCTEOSA-N 1 0 292.423 2.546 50 0 CFAARO CCS[C@H]1CCCC[N@H+](CC2(C(=O)OC)CC2)C1 ZINC000253425572 393941790 /nfs/dbraw/zinc/94/17/90/393941790.db2.gz UWBCDKYINAWJCZ-LBPRGKRZSA-N 1 0 271.426 2.547 50 0 CFAARO Cc1cc2cc(C(=O)NC3CC[NH2+]CC3)oc2cc1C ZINC000262498725 393956214 /nfs/dbraw/zinc/95/62/14/393956214.db2.gz FGNKPZVXCHWDLH-UHFFFAOYSA-N 1 0 272.348 2.531 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000262649488 393958620 /nfs/dbraw/zinc/95/86/20/393958620.db2.gz UAZAJEGNUUXKDT-JONQDZQNSA-N 1 0 286.419 2.827 50 0 CFAARO CCn1cnnc1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000122932641 393973474 /nfs/dbraw/zinc/97/34/74/393973474.db2.gz XXJHXPGVHQPPHX-GJZGRUSLSA-N 1 0 284.407 2.970 50 0 CFAARO CSC[C@](C)(O)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130017669 394099137 /nfs/dbraw/zinc/09/91/37/394099137.db2.gz KDYXRDHZUAGFJL-GARJFASQSA-N 1 0 285.375 2.811 50 0 CFAARO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000134525618 394199355 /nfs/dbraw/zinc/19/93/55/394199355.db2.gz HDLYDXGDQCFDCQ-ZDUSSCGKSA-N 1 0 272.396 2.527 50 0 CFAARO CSCc1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1F ZINC000153716658 394290573 /nfs/dbraw/zinc/29/05/73/394290573.db2.gz PMYDHZCOKITPBP-GHMZBOCLSA-N 1 0 296.411 2.511 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC000158896831 394361907 /nfs/dbraw/zinc/36/19/07/394361907.db2.gz LLFILXHBFWGZNG-CQSZACIVSA-N 1 0 297.402 2.615 50 0 CFAARO CNC(=O)[C@@H]([NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C(C)C ZINC000529557897 394409752 /nfs/dbraw/zinc/40/97/52/394409752.db2.gz YWBJTEJGAIEWPA-KBPBESRZSA-N 1 0 298.789 2.827 50 0 CFAARO CC(C)(C)OC(=O)NCC(C)(C)C1CC[NH2+]CC1 ZINC000616582313 542941116 /nfs/dbraw/zinc/94/11/16/542941116.db2.gz MKACRTRETQBGMX-UHFFFAOYSA-N 1 0 256.390 2.537 50 0 CFAARO CC[NH2+]Cc1cc(-c2ccc(N(C)CC)cc2)n[nH]1 ZINC000725264800 543106146 /nfs/dbraw/zinc/10/61/46/543106146.db2.gz YVXJVCVULCVHLC-UHFFFAOYSA-N 1 0 258.369 2.642 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000007811389 397536911 /nfs/dbraw/zinc/53/69/11/397536911.db2.gz SNKAHQFFCQFZRX-STQMWFEESA-N 1 0 294.826 2.934 50 0 CFAARO CC(C)(C)CN1CC[N@H+](CC2CCCCC2)C[C@H]1CCO ZINC000104363382 397596232 /nfs/dbraw/zinc/59/62/32/397596232.db2.gz VISXZZQCSWXEJY-QGZVFWFLSA-N 1 0 296.499 2.981 50 0 CFAARO CC(C)CN1CC[N@H+](CC2CCCCC2)C[C@H]1CCO ZINC000104392509 397596253 /nfs/dbraw/zinc/59/62/53/397596253.db2.gz IHDOETOXKDVUDD-QGZVFWFLSA-N 1 0 282.472 2.591 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000252485889 397628462 /nfs/dbraw/zinc/62/84/62/397628462.db2.gz BOGZFVRGFUNZEY-IHRRRGAJSA-N 1 0 298.427 2.543 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(C)=O)CC2)C1(CC)CC ZINC000096454021 286277622 /nfs/dbraw/zinc/27/76/22/286277622.db2.gz QAAGIYFINBAVPQ-HZPDHXFCSA-N 1 0 296.455 2.571 50 0 CFAARO Cc1ccccc1C(=O)N1CCC[N@@H+](C2CCC2)CC1 ZINC000825235592 782006473 /nfs/dbraw/zinc/00/64/73/782006473.db2.gz JMZGJZDXGAYOTD-UHFFFAOYSA-N 1 0 272.392 2.695 50 0 CFAARO Cc1cccc(OCC[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367065713 156275766 /nfs/dbraw/zinc/27/57/66/156275766.db2.gz GUAIUFODLJBACO-QGZVFWFLSA-N 1 0 275.392 2.876 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCN2c3ccccc3CC2=O)[C@@H](C)C1 ZINC000221804468 296733227 /nfs/dbraw/zinc/73/32/27/296733227.db2.gz LNVHOBJFTUGIKN-YCPHGPKFSA-N 1 0 286.419 2.990 50 0 CFAARO CCSCC[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000374843510 157164506 /nfs/dbraw/zinc/16/45/06/157164506.db2.gz IONXCHQXMJDKIR-UHFFFAOYSA-N 1 0 267.394 2.643 50 0 CFAARO COCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000339086808 161579837 /nfs/dbraw/zinc/57/98/37/161579837.db2.gz YWQGCLVEEJHZFW-XJKSGUPXSA-N 1 0 263.381 2.738 50 0 CFAARO C[C@@H](O)C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000190570922 287098705 /nfs/dbraw/zinc/09/87/05/287098705.db2.gz QMSAQMGNPWTHRL-HQJQHLMTSA-N 1 0 290.226 2.932 50 0 CFAARO CCOCCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000002923949 169844468 /nfs/dbraw/zinc/84/44/68/169844468.db2.gz LWMNLJOKXVHAEN-UHFFFAOYSA-N 1 0 267.369 2.610 50 0 CFAARO O[C@@H](COCc1ccccc1F)C[NH+]1CCCCCC1 ZINC000003179329 169865553 /nfs/dbraw/zinc/86/55/53/169865553.db2.gz RBXHGYGYZUKECK-OAHLLOKOSA-N 1 0 281.371 2.579 50 0 CFAARO CCOc1cc(C[NH2+]C)cc(Br)c1OC ZINC000004657519 169994317 /nfs/dbraw/zinc/99/43/17/169994317.db2.gz YGMYKDGRAPKAOR-UHFFFAOYSA-N 1 0 274.158 2.576 50 0 CFAARO COc1cc(CC[NH3+])cc(OCc2ccccc2)c1OC ZINC000004829600 170025281 /nfs/dbraw/zinc/02/52/81/170025281.db2.gz OPMXDFRJNMUXDG-UHFFFAOYSA-N 1 0 287.359 2.784 50 0 CFAARO C[C@@H](O)C[NH2+]CCCSc1ccc(Cl)cc1 ZINC000004833094 170025969 /nfs/dbraw/zinc/02/59/69/170025969.db2.gz KSNXJFLQEMEIPR-SNVBAGLBSA-N 1 0 259.802 2.793 50 0 CFAARO Cc1ccc(SCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000004842839 170028958 /nfs/dbraw/zinc/02/89/58/170028958.db2.gz WZXXLVPFXOAZGQ-CYBMUJFWSA-N 1 0 251.395 2.856 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000004867320 170033679 /nfs/dbraw/zinc/03/36/79/170033679.db2.gz NPFMVLLMEBJEBL-OWCLPIDISA-N 1 0 277.408 2.998 50 0 CFAARO CC(=O)c1cccc(OCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000004870260 170034854 /nfs/dbraw/zinc/03/48/54/170034854.db2.gz BHCSJGUKEOAZQM-ZDUSSCGKSA-N 1 0 261.365 3.000 50 0 CFAARO Cc1ccccc1NC(=O)NCCC[NH+]1CCCC1 ZINC000004908795 170039983 /nfs/dbraw/zinc/03/99/83/170039983.db2.gz KKBKFZUVDXWFKD-UHFFFAOYSA-N 1 0 261.369 2.602 50 0 CFAARO CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC[NH+](C)CC1 ZINC000004933352 170042064 /nfs/dbraw/zinc/04/20/64/170042064.db2.gz DWWKIIPGICZCHF-UHFFFAOYSA-N 1 0 290.451 2.755 50 0 CFAARO Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000004951777 170044733 /nfs/dbraw/zinc/04/47/33/170044733.db2.gz LZUPKLFREZDRNA-MRXNPFEDSA-N 1 0 277.408 2.775 50 0 CFAARO Cc1cc(C)c2cc(C[NH2+]Cc3cccnc3)c(=O)[nH]c2c1 ZINC000004993349 170051171 /nfs/dbraw/zinc/05/11/71/170051171.db2.gz FBZFAINEFHYPNQ-UHFFFAOYSA-N 1 0 293.370 2.830 50 0 CFAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OC ZINC000005019250 170056572 /nfs/dbraw/zinc/05/65/72/170056572.db2.gz APSUPCFZEGBKOH-NSHDSACASA-N 1 0 285.771 2.626 50 0 CFAARO C[NH+](C)CCNC(=S)Nc1cccc2ccccc21 ZINC000005041200 170059723 /nfs/dbraw/zinc/05/97/23/170059723.db2.gz DYMXQAIFEHZBBO-UHFFFAOYSA-N 1 0 273.405 2.688 50 0 CFAARO CC1CC[NH+](CCNC(=S)Nc2ccc(F)cc2)CC1 ZINC000005064276 170063119 /nfs/dbraw/zinc/06/31/19/170063119.db2.gz WIEOUFIMAIIHPR-UHFFFAOYSA-N 1 0 295.427 2.844 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH2+]C2CCCC2)ccc1Cl ZINC000005068226 170063335 /nfs/dbraw/zinc/06/33/35/170063335.db2.gz BXKRGPDLUHCJMW-CYBMUJFWSA-N 1 0 283.799 2.920 50 0 CFAARO CCCOC(=O)CSc1sc2ccccc2[n+]1C ZINC000005591242 170117124 /nfs/dbraw/zinc/11/71/24/170117124.db2.gz KKPAVSJQDHWODC-UHFFFAOYSA-N 1 0 282.410 2.771 50 0 CFAARO COc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000005674903 170126634 /nfs/dbraw/zinc/12/66/34/170126634.db2.gz KFRQZJPGDZKWDM-HNNXBMFYSA-N 1 0 293.407 2.699 50 0 CFAARO C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C1CCCCC1 ZINC000005674911 170126972 /nfs/dbraw/zinc/12/69/72/170126972.db2.gz YUKPBDFINAGLRT-OAHLLOKOSA-N 1 0 281.371 2.830 50 0 CFAARO Cc1cccc(OCCOCC[NH2+]C(C)(C)C)c1 ZINC000005755692 170137562 /nfs/dbraw/zinc/13/75/62/170137562.db2.gz MKBTVUNIVPMVCC-UHFFFAOYSA-N 1 0 251.370 2.779 50 0 CFAARO O[C@@H](C[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000005768753 170138780 /nfs/dbraw/zinc/13/87/80/170138780.db2.gz OVWREYSRRDICFP-AWEZNQCLSA-N 1 0 287.325 2.864 50 0 CFAARO C[C@@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000005912738 170154589 /nfs/dbraw/zinc/15/45/89/170154589.db2.gz YSQMSOZMQJHELD-CQSZACIVSA-N 1 0 271.360 2.736 50 0 CFAARO C[C@@H](O)C[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000005912750 170154969 /nfs/dbraw/zinc/15/49/69/170154969.db2.gz IVQFKCYTAUTZKD-CYBMUJFWSA-N 1 0 289.350 2.875 50 0 CFAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(F)cc1 ZINC000006086209 170174679 /nfs/dbraw/zinc/17/46/79/170174679.db2.gz QQJSQGWAQWAEMX-UHFFFAOYSA-N 1 0 250.317 2.640 50 0 CFAARO CC(C)(C)CC(C)(C)[NH2+]Cc1ccccc1OCC(N)=O ZINC000006702544 170229713 /nfs/dbraw/zinc/22/97/13/170229713.db2.gz OOADUBGZFBYLBN-UHFFFAOYSA-N 1 0 292.423 2.855 50 0 CFAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000006730658 170235240 /nfs/dbraw/zinc/23/52/40/170235240.db2.gz ZSOHJHUUQOSOQJ-GFCCVEGCSA-N 1 0 260.381 2.974 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000006741144 170237352 /nfs/dbraw/zinc/23/73/52/170237352.db2.gz PZXSUOISQKRAJV-UHFFFAOYSA-N 1 0 281.787 2.900 50 0 CFAARO OCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000006889865 170253605 /nfs/dbraw/zinc/25/36/05/170253605.db2.gz ZMOIGZZZLIGGLP-UHFFFAOYSA-N 1 0 271.360 2.738 50 0 CFAARO CCCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000007261647 170273670 /nfs/dbraw/zinc/27/36/70/170273670.db2.gz MICCAHNYLFYHDV-UHFFFAOYSA-N 1 0 253.342 2.602 50 0 CFAARO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000007389287 170282521 /nfs/dbraw/zinc/28/25/21/170282521.db2.gz OTGDDZMNIRNQKG-CYBMUJFWSA-N 1 0 276.380 2.754 50 0 CFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)NCc1ccccc1 ZINC000008267554 170327883 /nfs/dbraw/zinc/32/78/83/170327883.db2.gz BYKVMQDUMHOPGC-DLBZAZTESA-N 1 0 286.419 2.815 50 0 CFAARO Cc1[nH]c2ccc(F)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008717115 170349453 /nfs/dbraw/zinc/34/94/53/170349453.db2.gz BXUMXHGIYXNUNI-UHFFFAOYSA-N 1 0 260.312 2.984 50 0 CFAARO Cc1ccnc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000008726337 170350017 /nfs/dbraw/zinc/35/00/17/170350017.db2.gz XYDPSTNYKPQRKN-UHFFFAOYSA-N 1 0 269.348 2.704 50 0 CFAARO Cc1ccc(C[N@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000008728558 170350261 /nfs/dbraw/zinc/35/02/61/170350261.db2.gz HTBHNRSIRYFFJF-UHFFFAOYSA-N 1 0 282.387 2.873 50 0 CFAARO CC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCCCCC1 ZINC000009112382 170363813 /nfs/dbraw/zinc/36/38/13/170363813.db2.gz TUSKRXSMWZFQJL-GFCCVEGCSA-N 1 0 265.357 2.576 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1F)c1ccccc1 ZINC000010017735 170395354 /nfs/dbraw/zinc/39/53/54/170395354.db2.gz XIRWUQMOKAPMEE-MRXNPFEDSA-N 1 0 286.350 2.858 50 0 CFAARO Fc1cc(Br)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000014631334 170640512 /nfs/dbraw/zinc/64/05/12/170640512.db2.gz ZSTNNLOBUGKBRG-SECBINFHSA-N 1 0 288.160 2.967 50 0 CFAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2C(C)C)c1 ZINC000014993498 170652664 /nfs/dbraw/zinc/65/26/64/170652664.db2.gz PGIMBNJBLAGBIL-HNNXBMFYSA-N 1 0 290.407 2.574 50 0 CFAARO FC(F)(F)c1ccc2c(ccnc2NC2CC[NH2+]CC2)n1 ZINC000015442501 170667057 /nfs/dbraw/zinc/66/70/57/170667057.db2.gz ZXLGFCFXKSSPSR-UHFFFAOYSA-N 1 0 296.296 2.813 50 0 CFAARO c1ccc(-c2ccc(OCCN3CC[NH2+]CC3)cc2)cc1 ZINC000019620960 170830778 /nfs/dbraw/zinc/83/07/78/170830778.db2.gz IJBQQSCZWZGSOU-UHFFFAOYSA-N 1 0 282.387 2.638 50 0 CFAARO Fc1ccccc1C[NH2+]CCc1ccc2c(c1)OCO2 ZINC000019721023 170843581 /nfs/dbraw/zinc/84/35/81/170843581.db2.gz WUDGXPDCSCRIHO-UHFFFAOYSA-N 1 0 273.307 2.887 50 0 CFAARO O=C1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)N1CC1CC1 ZINC000020206307 171071605 /nfs/dbraw/zinc/07/16/05/171071605.db2.gz WMFCFPPAXPYTBI-INIZCTEOSA-N 1 0 290.382 2.706 50 0 CFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000020406965 171182825 /nfs/dbraw/zinc/18/28/25/171182825.db2.gz ZIELKUIDXCQXSB-CYBMUJFWSA-N 1 0 273.332 2.690 50 0 CFAARO OCC[C@H]1C[N@H+](CC2CCCCC2)CCN1C1CCCC1 ZINC000020419344 171183842 /nfs/dbraw/zinc/18/38/42/171183842.db2.gz CHTBCENFLGVKFC-SFHVURJKSA-N 1 0 294.483 2.878 50 0 CFAARO COc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1OC ZINC000020453364 171208091 /nfs/dbraw/zinc/20/80/91/171208091.db2.gz ZFGKVZCGFVCFQW-OAHLLOKOSA-N 1 0 299.370 2.797 50 0 CFAARO CSCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000020539305 171241658 /nfs/dbraw/zinc/24/16/58/171241658.db2.gz NCEUVMQXCDDGQA-GJZGRUSLSA-N 1 0 297.464 2.774 50 0 CFAARO C[C@H]1CN(CCOc2ccc(Cl)cc2C=O)C[C@H](C)O1 ZINC000020652592 171268777 /nfs/dbraw/zinc/26/87/77/171268777.db2.gz YHFJCTBWHDEHGS-RYUDHWBXSA-N 1 0 297.782 2.641 50 0 CFAARO CCc1oc2ccccc2c1C[NH2+]CCNC(=O)C(C)C ZINC000020936604 171281325 /nfs/dbraw/zinc/28/13/25/171281325.db2.gz SYPDSZKEWRTAAT-UHFFFAOYSA-N 1 0 288.391 2.857 50 0 CFAARO CCn1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000020935043 171281616 /nfs/dbraw/zinc/28/16/16/171281616.db2.gz ABUQWPVFECLGNI-CQSZACIVSA-N 1 0 258.365 2.930 50 0 CFAARO COc1c(Cl)cc(C[NH2+]CCN(C)C)cc1Cl ZINC000020967740 171282108 /nfs/dbraw/zinc/28/21/08/171282108.db2.gz GEXLSFLCPYODAX-UHFFFAOYSA-N 1 0 277.195 2.653 50 0 CFAARO c1ccc([C@@H]2NCC[NH+]=C2NC2CCCCC2)cc1 ZINC000021883577 171335968 /nfs/dbraw/zinc/33/59/68/171335968.db2.gz VURQWQGSTFCRIW-HNNXBMFYSA-N 1 0 257.381 2.652 50 0 CFAARO COc1cccc(OC)c1OCCC[NH2+]C(C)(C)C ZINC000022064778 171351690 /nfs/dbraw/zinc/35/16/90/171351690.db2.gz PNBSJYPEDSBLAC-UHFFFAOYSA-N 1 0 267.369 2.861 50 0 CFAARO CCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000022075980 171352247 /nfs/dbraw/zinc/35/22/47/171352247.db2.gz MHZFRPZOXWBQAZ-KRWDZBQOSA-N 1 0 271.360 2.909 50 0 CFAARO Cc1ccsc1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000022241848 171381880 /nfs/dbraw/zinc/38/18/80/171381880.db2.gz NYYACQOGNGANAA-UHFFFAOYSA-N 1 0 292.448 2.891 50 0 CFAARO CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000022454769 171388137 /nfs/dbraw/zinc/38/81/37/171388137.db2.gz FFGFFVNLYFYCMV-UHFFFAOYSA-N 1 0 260.303 2.699 50 0 CFAARO C[NH+](C)C[C@H]1CCCC[C@@]1(O)c1ccc(Cl)nc1 ZINC000034399294 171838639 /nfs/dbraw/zinc/83/86/39/171838639.db2.gz XACXTIXNRHOMPK-TZMCWYRMSA-N 1 0 268.788 2.674 50 0 CFAARO CC[NH2+][C@@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000035542298 172249877 /nfs/dbraw/zinc/24/98/77/172249877.db2.gz UCBLGCWQRIKADO-MRXNPFEDSA-N 1 0 254.333 2.715 50 0 CFAARO Cc1cccc(C2(C[NH3+])CCC3(CC2)OCCO3)c1 ZINC000035630120 172311494 /nfs/dbraw/zinc/31/14/94/172311494.db2.gz BKEURERNTRHFIB-UHFFFAOYSA-N 1 0 261.365 2.509 50 0 CFAARO [NH3+]CCOc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000035655680 172332448 /nfs/dbraw/zinc/33/24/48/172332448.db2.gz KHVOZCIKMGGZAU-UHFFFAOYSA-N 1 0 289.282 2.561 50 0 CFAARO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000664174987 413619391 /nfs/dbraw/zinc/61/93/91/413619391.db2.gz NFOUVOOUSMTZRF-GFCCVEGCSA-N 1 0 270.380 2.915 50 0 CFAARO CC(C)N(C[C@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000036378513 172626444 /nfs/dbraw/zinc/62/64/44/172626444.db2.gz WPTKXKVPJIWJSW-LBPRGKRZSA-N 1 0 256.390 2.632 50 0 CFAARO C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1cn[nH]c1 ZINC000652317262 413885327 /nfs/dbraw/zinc/88/53/27/413885327.db2.gz LLTSSNYGMVQTEP-SECBINFHSA-N 1 0 295.289 2.625 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000657691479 413857473 /nfs/dbraw/zinc/85/74/73/413857473.db2.gz SHAQRQWUDKEQPP-ZIAGYGMSSA-N 1 0 290.436 2.686 50 0 CFAARO c1csc(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC000037211889 173033501 /nfs/dbraw/zinc/03/35/01/173033501.db2.gz CEYYIWQUGRDGNN-UHFFFAOYSA-N 1 0 284.388 2.866 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1F ZINC000037249277 173062229 /nfs/dbraw/zinc/06/22/29/173062229.db2.gz VLZAOIFFQXZWSV-LLVKDONJSA-N 1 0 266.360 2.579 50 0 CFAARO C[C@H](c1ccccc1F)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075784 174086205 /nfs/dbraw/zinc/08/62/05/174086205.db2.gz QJCXCPGPGZGWCC-GFCCVEGCSA-N 1 0 278.371 2.735 50 0 CFAARO Cn1cccc1[C@@H](CNC(=O)Nc1cccs1)[NH+](C)C ZINC000038674892 174151559 /nfs/dbraw/zinc/15/15/59/174151559.db2.gz CIROJKBHQWCLST-GFCCVEGCSA-N 1 0 292.408 2.511 50 0 CFAARO C[NH+](C)C1(CNC(=O)CSc2ccccc2)CCCC1 ZINC000040092687 174189361 /nfs/dbraw/zinc/18/93/61/174189361.db2.gz XUSFTQJOBJJVDY-UHFFFAOYSA-N 1 0 292.448 2.769 50 0 CFAARO CCOc1ccccc1C(=O)NCCCC[NH+]1CCCC1 ZINC000040541134 174322500 /nfs/dbraw/zinc/32/25/00/174322500.db2.gz FXKJOFLBGNQMMP-UHFFFAOYSA-N 1 0 290.407 2.691 50 0 CFAARO Cc1ccc(C(=O)C2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000040556376 174330781 /nfs/dbraw/zinc/33/07/81/174330781.db2.gz CCNVXFXORUGWSF-UHFFFAOYSA-N 1 0 289.419 2.969 50 0 CFAARO OCCCCC[NH2+]Cc1cc(Br)cs1 ZINC000040744367 174391313 /nfs/dbraw/zinc/39/13/13/174391313.db2.gz XJKQRWLTNXVPOF-UHFFFAOYSA-N 1 0 278.215 2.763 50 0 CFAARO CC(=O)Nc1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000042772722 174871994 /nfs/dbraw/zinc/87/19/94/174871994.db2.gz XUYVCMJJDWLLJF-CYBMUJFWSA-N 1 0 262.353 2.556 50 0 CFAARO Cc1cc(O[C@H]2CCC[NH2+]C2)ccc1Br ZINC000042774832 174873152 /nfs/dbraw/zinc/87/31/52/174873152.db2.gz KLNDGQJYBLASAK-NSHDSACASA-N 1 0 270.170 2.888 50 0 CFAARO Brc1cccc(OCC[C@@H]2CCCC[NH2+]2)n1 ZINC000042774180 174873189 /nfs/dbraw/zinc/87/31/89/174873189.db2.gz XZIJBQKZBFNWGX-JTQLQIEISA-N 1 0 285.185 2.755 50 0 CFAARO [NH3+]CC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000044513023 175188625 /nfs/dbraw/zinc/18/86/25/175188625.db2.gz HOQBHWMDVQYWCO-UHFFFAOYSA-N 1 0 287.190 2.804 50 0 CFAARO Cc1cn2nc(NC3CC(C)(C)[NH2+]C(C)(C)C3)sc2n1 ZINC000044648748 175223951 /nfs/dbraw/zinc/22/39/51/175223951.db2.gz IDXVJDBSWGZVQW-UHFFFAOYSA-N 1 0 293.440 2.820 50 0 CFAARO NNc1[nH+]cccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000044842011 175263551 /nfs/dbraw/zinc/26/35/51/175263551.db2.gz TWIAQZAXYAFRMW-UHFFFAOYSA-N 1 0 287.710 2.738 50 0 CFAARO CCn1nc(C[NH2+]CC(C)C)c(-c2ccccc2)n1 ZINC000045944837 175387493 /nfs/dbraw/zinc/38/74/93/175387493.db2.gz APQSWWMUTZNUNJ-UHFFFAOYSA-N 1 0 258.369 2.711 50 0 CFAARO Cc1cccc(C[NH2+]CCCOc2ccccn2)c1 ZINC000045945497 175387992 /nfs/dbraw/zinc/38/79/92/175387992.db2.gz KOLKMTIOVACGPQ-UHFFFAOYSA-N 1 0 256.349 2.949 50 0 CFAARO C[C@H](CNC(=O)c1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000055538644 175580746 /nfs/dbraw/zinc/58/07/46/175580746.db2.gz KJJUKIFKLFEAAR-CYBMUJFWSA-N 1 0 286.375 2.895 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000057995113 175604970 /nfs/dbraw/zinc/60/49/70/175604970.db2.gz UHGHKPYFMACSFL-UHFFFAOYSA-N 1 0 252.402 2.556 50 0 CFAARO Cc1ccccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000058283260 175615926 /nfs/dbraw/zinc/61/59/26/175615926.db2.gz NAMRNTMCGALOLS-UHFFFAOYSA-N 1 0 287.432 2.769 50 0 CFAARO C[C@@H](C[NH2+]C1CCSCC1)N(C)c1ccccc1 ZINC000065369966 175722448 /nfs/dbraw/zinc/72/24/48/175722448.db2.gz IUIUESPLTQQHJK-ZDUSSCGKSA-N 1 0 264.438 2.997 50 0 CFAARO COc1c(F)cc(-c2cccc3c2O[C@H](C[NH3+])C3)cc1F ZINC000067473306 175775874 /nfs/dbraw/zinc/77/58/74/175775874.db2.gz NROAXXVYLGMJDS-NSHDSACASA-N 1 0 291.297 2.903 50 0 CFAARO C/C=C(\C)C[NH+]1CCC(CNC(=O)C(C)(C)C)CC1 ZINC000067908767 175801877 /nfs/dbraw/zinc/80/18/77/175801877.db2.gz RDPPTFKFVNZHFI-AWNIVKPZSA-N 1 0 266.429 2.827 50 0 CFAARO CCC[NH+](CCC)CC(=O)N[C@@H](C)c1ccco1 ZINC000069439257 175829630 /nfs/dbraw/zinc/82/96/30/175829630.db2.gz ZFUDIHUMQWGXRU-LBPRGKRZSA-N 1 0 252.358 2.579 50 0 CFAARO Cc1ncsc1C[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000071212978 176085025 /nfs/dbraw/zinc/08/50/25/176085025.db2.gz RULUHCJWGOZISZ-UHFFFAOYSA-N 1 0 290.388 2.903 50 0 CFAARO CO[C@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@H]1[NH3+] ZINC000071388724 176147966 /nfs/dbraw/zinc/14/79/66/176147966.db2.gz JDYWZJRZOSXLJH-NEPJUHHUSA-N 1 0 289.206 2.541 50 0 CFAARO Cc1cc(C2CCC2)nc(NCC[NH+]2CCCC2)n1 ZINC000071404182 176155457 /nfs/dbraw/zinc/15/54/57/176155457.db2.gz XAGOSLUHPLGINO-UHFFFAOYSA-N 1 0 260.385 2.560 50 0 CFAARO CC[C@H]1C[N@H+](CCCF)CCC(=O)N1Cc1ccccc1 ZINC000071422181 176160775 /nfs/dbraw/zinc/16/07/75/176160775.db2.gz YSAZQINNDOBOOA-INIZCTEOSA-N 1 0 292.398 2.859 50 0 CFAARO CC[C@@H]1C[N@H+](CCCF)CCC(=O)N1Cc1ccccc1 ZINC000071422180 176160860 /nfs/dbraw/zinc/16/08/60/176160860.db2.gz YSAZQINNDOBOOA-MRXNPFEDSA-N 1 0 292.398 2.859 50 0 CFAARO Cc1[nH]c2c(cc(C)cc2CNC(=O)C[NH+]2CCCC2)c1C ZINC000071575271 176202246 /nfs/dbraw/zinc/20/22/46/176202246.db2.gz AJTFLMWGRMXLGW-UHFFFAOYSA-N 1 0 299.418 2.805 50 0 CFAARO CCCc1nnc2sc([C@H]3CCC[N@@H+](C(C)C)C3)nn12 ZINC000071681679 176245615 /nfs/dbraw/zinc/24/56/15/176245615.db2.gz KFHXHBJHRPBFOK-NSHDSACASA-N 1 0 293.440 2.726 50 0 CFAARO COc1ccc(F)c(-c2nccn2CC[NH+]2CCCC2)c1 ZINC000071748037 176258913 /nfs/dbraw/zinc/25/89/13/176258913.db2.gz RAWRZBHOZVDKRB-UHFFFAOYSA-N 1 0 289.354 2.794 50 0 CFAARO c1cnn(CC[NH2+]Cc2cnc(-c3ccccc3)s2)c1 ZINC000071793552 176264018 /nfs/dbraw/zinc/26/40/18/176264018.db2.gz ULSQSOVRKRFXAU-UHFFFAOYSA-N 1 0 284.388 2.796 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](C)N1CCc2ccccc21 ZINC000071819541 176270443 /nfs/dbraw/zinc/27/04/43/176270443.db2.gz GWLIICZSPQNKON-LBPRGKRZSA-N 1 0 284.407 2.567 50 0 CFAARO Cc1cccc(CCC(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000071821532 176270587 /nfs/dbraw/zinc/27/05/87/176270587.db2.gz OXPJGGBOHZJIHZ-UHFFFAOYSA-N 1 0 288.435 2.728 50 0 CFAARO C[N@@H+]1CCC[C@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000071820722 176270619 /nfs/dbraw/zinc/27/06/19/176270619.db2.gz BYTGHAZGBMLKOI-AWEZNQCLSA-N 1 0 292.810 2.582 50 0 CFAARO Cc1cc(NC[C@@H]2CCCO[C@@H]2c2ccccc2)nc(N)[nH+]1 ZINC000071828007 176272471 /nfs/dbraw/zinc/27/24/71/176272471.db2.gz RXQUMCNZRROBRU-GOEBONIOSA-N 1 0 298.390 2.947 50 0 CFAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2ccccc2o1 ZINC000071834740 176273645 /nfs/dbraw/zinc/27/36/45/176273645.db2.gz VACOMLXZXRQBSF-AWEZNQCLSA-N 1 0 286.375 2.989 50 0 CFAARO Cc1n[nH]cc1CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071837278 176273969 /nfs/dbraw/zinc/27/39/69/176273969.db2.gz JBJJOJRXCUJMCH-KRWDZBQOSA-N 1 0 298.434 2.720 50 0 CFAARO NC(=O)CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000071860666 176280096 /nfs/dbraw/zinc/28/00/96/176280096.db2.gz QYHPFGCLFCSRRE-MRXNPFEDSA-N 1 0 286.400 2.571 50 0 CFAARO C[C@H]1C[C@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000071884514 176289083 /nfs/dbraw/zinc/28/90/83/176289083.db2.gz LDEYSSGOEBVYHY-SWLSCSKDSA-N 1 0 276.380 2.612 50 0 CFAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(N)=O)c2ccccc2)cc1 ZINC000071885739 176289651 /nfs/dbraw/zinc/28/96/51/176289651.db2.gz BWCOJDFHBCYJEG-CJNGLKHVSA-N 1 0 268.360 2.548 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000071913956 176298786 /nfs/dbraw/zinc/29/87/86/176298786.db2.gz XQDKPUIIDNGSCQ-DZGCQCFKSA-N 1 0 274.364 2.744 50 0 CFAARO OCCn1ncc2c1CCC[C@@H]2[NH2+]C/C=C/c1ccccc1 ZINC000071924556 176301614 /nfs/dbraw/zinc/30/16/14/176301614.db2.gz PXFUOMIPKYCFBZ-JZLODUJNSA-N 1 0 297.402 2.556 50 0 CFAARO CNc1nc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cs1 ZINC000072133231 176321955 /nfs/dbraw/zinc/32/19/55/176321955.db2.gz GODJFCHMDPFNMV-NIFPGPBJSA-N 1 0 263.410 2.663 50 0 CFAARO CC(C)C(=O)Nc1cccnc1-c1cccc2c1CC[NH2+]C2 ZINC000072142106 176323506 /nfs/dbraw/zinc/32/35/06/176323506.db2.gz LUHYKIRKHJEURD-UHFFFAOYSA-N 1 0 295.386 2.989 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000072140307 176323690 /nfs/dbraw/zinc/32/36/90/176323690.db2.gz XUFAVENNORUEPY-LBPRGKRZSA-N 1 0 274.389 2.855 50 0 CFAARO COc1ccccc1-c1cccc(C(=O)N[C@H]2CC[C@H]2[NH3+])c1 ZINC000072148856 176325729 /nfs/dbraw/zinc/32/57/29/176325729.db2.gz IWFXUZLCMLDOMY-CVEARBPZSA-N 1 0 296.370 2.582 50 0 CFAARO c1cncc(CO[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072161167 176329932 /nfs/dbraw/zinc/32/99/32/176329932.db2.gz JXTHPTPDQBJBNJ-KRWDZBQOSA-N 1 0 283.375 2.658 50 0 CFAARO OCCc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000072169612 176332504 /nfs/dbraw/zinc/33/25/04/176332504.db2.gz VFHHQSBWMLHQIN-UHFFFAOYSA-N 1 0 253.345 2.534 50 0 CFAARO CC[NH+](CC)CC(=O)N1CCCC[C@H]1c1nc(C)cs1 ZINC000072273876 176355572 /nfs/dbraw/zinc/35/55/72/176355572.db2.gz PHNDERYAPPLTHI-ZDUSSCGKSA-N 1 0 295.452 2.847 50 0 CFAARO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1SC ZINC000072292578 176362478 /nfs/dbraw/zinc/36/24/78/176362478.db2.gz VLKCJYCPBONUFI-CYBMUJFWSA-N 1 0 281.421 2.621 50 0 CFAARO Cc1nnc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC000072462852 176405638 /nfs/dbraw/zinc/40/56/38/176405638.db2.gz CXEQBOBLOIHLMK-CQSZACIVSA-N 1 0 294.468 2.687 50 0 CFAARO Fc1cccc2sc(OC3CC[NH2+]CC3)nc21 ZINC000072517700 176410261 /nfs/dbraw/zinc/41/02/61/176410261.db2.gz BBSUXWLQGATKPI-UHFFFAOYSA-N 1 0 252.314 2.566 50 0 CFAARO C[C@@H](CC[NH+](C)C)Nc1ncnc2ccc(F)cc21 ZINC000076062857 176895509 /nfs/dbraw/zinc/89/55/09/176895509.db2.gz DCNBQXKQDKRFGY-JTQLQIEISA-N 1 0 262.332 2.521 50 0 CFAARO CC(C)=CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076396630 177015186 /nfs/dbraw/zinc/01/51/86/177015186.db2.gz YOZXEARZQWDTIV-CQSZACIVSA-N 1 0 270.380 2.875 50 0 CFAARO Cc1ccc([C@H](CNC(=O)C2CC=CC2)[NH+](C)C)cc1 ZINC000076964273 177135808 /nfs/dbraw/zinc/13/58/08/177135808.db2.gz JAWXYBMXMIOXLN-INIZCTEOSA-N 1 0 272.392 2.680 50 0 CFAARO c1cc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)cs1 ZINC000077404735 177263305 /nfs/dbraw/zinc/26/33/05/177263305.db2.gz NOJCORVRCKGLCC-HNNXBMFYSA-N 1 0 284.388 2.871 50 0 CFAARO c1cnn(CCC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000077485636 177273876 /nfs/dbraw/zinc/27/38/76/177273876.db2.gz RGPPXTFLRLVHFA-UHFFFAOYSA-N 1 0 270.380 2.580 50 0 CFAARO CC(C)c1nc([C@@H](C)NC(=O)C[N@H+](C)C2CC2)cs1 ZINC000077614985 177287453 /nfs/dbraw/zinc/28/74/53/177287453.db2.gz NWJMYWIBWSYZLX-SNVBAGLBSA-N 1 0 281.425 2.538 50 0 CFAARO Cc1cc(C[NH2+]Cc2cccc(CO)c2)ccc1F ZINC000078553952 177353975 /nfs/dbraw/zinc/35/39/75/177353975.db2.gz TUYYQRPXEDXPDX-UHFFFAOYSA-N 1 0 259.324 2.916 50 0 CFAARO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(=O)c(O)co1 ZINC000078876608 177399630 /nfs/dbraw/zinc/39/96/30/177399630.db2.gz NIEGGARWBGFQNQ-CQSZACIVSA-N 1 0 287.359 2.799 50 0 CFAARO Cc1cccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000004741632 292583133 /nfs/dbraw/zinc/58/31/33/292583133.db2.gz WFAMZPJWXIREJC-AWEZNQCLSA-N 1 0 277.331 2.632 50 0 CFAARO Cc1nc(CCC[NH3+])n(-c2ccc(C(C)C)cc2)n1 ZINC000827384913 782035480 /nfs/dbraw/zinc/03/54/80/782035480.db2.gz GCTPDOMJVQQZCV-UHFFFAOYSA-N 1 0 258.369 2.590 50 0 CFAARO CCOc1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000002843280 260010361 /nfs/dbraw/zinc/01/03/61/260010361.db2.gz CYANMGMMMNOADG-UHFFFAOYSA-N 1 0 291.395 2.693 50 0 CFAARO OC[C@@]1(C[NH2+]Cc2ccccc2)CCc2ccccc21 ZINC000521396645 260099199 /nfs/dbraw/zinc/09/91/99/260099199.db2.gz PPHMYGFXHYQZJH-SFHVURJKSA-N 1 0 267.372 2.653 50 0 CFAARO Cc1cc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)no1 ZINC000075132282 260165958 /nfs/dbraw/zinc/16/59/58/260165958.db2.gz KTJNIGHEJCXKCO-CQSZACIVSA-N 1 0 274.368 2.670 50 0 CFAARO Cc1nc(COc2ccc(C[NH2+]C[C@H](C)O)cc2)cs1 ZINC000066067909 260244707 /nfs/dbraw/zinc/24/47/07/260244707.db2.gz FJZRGJLQWJJXDZ-NSHDSACASA-N 1 0 292.404 2.501 50 0 CFAARO CSC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218961159 262348059 /nfs/dbraw/zinc/34/80/59/262348059.db2.gz KDYXRDHZUAGFJL-OUAUKWLOSA-N 1 0 285.375 2.811 50 0 CFAARO C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@@H]1n1ccnc1 ZINC000095981732 265321498 /nfs/dbraw/zinc/32/14/98/265321498.db2.gz KXUQRNXNKQXREX-ZBFHGGJFSA-N 1 0 295.390 2.614 50 0 CFAARO CC(C)(C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)C(N)=O ZINC000183639347 273505104 /nfs/dbraw/zinc/50/51/04/273505104.db2.gz UBCMKQOZYVHLBB-LLVKDONJSA-N 1 0 298.839 2.978 50 0 CFAARO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000032611228 274289049 /nfs/dbraw/zinc/28/90/49/274289049.db2.gz IBIODXRBIPGNBP-WBVHZDCISA-N 1 0 286.419 2.910 50 0 CFAARO Fc1ccc(C[C@@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000169676626 274911402 /nfs/dbraw/zinc/91/14/02/274911402.db2.gz SFKXZKNNYJZWQL-AWEZNQCLSA-N 1 0 263.356 2.917 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2)N1 ZINC000000480420 274943030 /nfs/dbraw/zinc/94/30/30/274943030.db2.gz FLPFDJSSMKHRMH-CYBMUJFWSA-N 1 0 297.749 2.977 50 0 CFAARO [NH3+]Cc1cc2cc(I)ccc2s1 ZINC000000338886 274953637 /nfs/dbraw/zinc/95/36/37/274953637.db2.gz YDBJBHITIGZZLG-UHFFFAOYSA-N 1 0 289.141 2.965 50 0 CFAARO O[C@@H](C[NH+]1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088432962 275050768 /nfs/dbraw/zinc/05/07/68/275050768.db2.gz SBUDTEDYHMIXSQ-ZDUSSCGKSA-N 1 0 273.298 2.994 50 0 CFAARO c1ccc2c(c1)CCC[C@@]21C[C@H]1C[NH2+]Cc1cncnc1 ZINC000151405047 275069462 /nfs/dbraw/zinc/06/94/62/275069462.db2.gz KALNASUXUJYUKF-WMZOPIPTSA-N 1 0 279.387 2.860 50 0 CFAARO Brc1ccc2[nH]c3c(c2c1)CC[NH2+]C3 ZINC000013587966 275370199 /nfs/dbraw/zinc/37/01/99/275370199.db2.gz WUTVTUWSFMYRJK-UHFFFAOYSA-N 1 0 251.127 2.576 50 0 in-vivo CFAARO CC(C)(C[NH2+][C@@H]1CC(C)(C)c2ccccc21)C(N)=O ZINC000095462750 275549326 /nfs/dbraw/zinc/54/93/26/275549326.db2.gz QGNQGHMQXORQGU-CYBMUJFWSA-N 1 0 260.381 2.510 50 0 CFAARO CC(=O)N1CC[n+]2c(-c3ccc(Cl)cc3)csc21 ZINC000013110963 275774174 /nfs/dbraw/zinc/77/41/74/275774174.db2.gz PZRRZOLTIZWUKK-UHFFFAOYSA-N 1 0 279.772 2.723 50 0 CFAARO CCCN(Cc1ccccc1)C(=O)/C=C\C[NH+](C)C ZINC000104120053 276002513 /nfs/dbraw/zinc/00/25/13/276002513.db2.gz JBMODBRVZBWYHX-FLIBITNWSA-N 1 0 260.381 2.543 50 0 CFAARO CCCn1nc2c(c1C)[C@H]([C@H]1CC[C@@H]([NH3+])CC1)CC(=O)N2 ZINC000244873517 276059308 /nfs/dbraw/zinc/05/93/08/276059308.db2.gz WRLBSHBGRVKPPU-XQQFMLRXSA-N 1 0 290.411 2.545 50 0 CFAARO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCCCO2)C1 ZINC000064995395 276236660 /nfs/dbraw/zinc/23/66/60/276236660.db2.gz LFJKGOXLRFGBGR-OAGGEKHMSA-N 1 0 296.455 2.572 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C12CCCC2 ZINC000095423468 276353456 /nfs/dbraw/zinc/35/34/56/276353456.db2.gz UWXAJPDRJCFLFO-LVQVYYBASA-N 1 0 280.456 2.797 50 0 CFAARO C/C(=C\c1ccc(F)cc1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000222123014 276827393 /nfs/dbraw/zinc/82/73/93/276827393.db2.gz POEZURQRBVGRCB-PABFRNLHSA-N 1 0 276.355 2.569 50 0 CFAARO C[NH2+]CCCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000237146361 277021616 /nfs/dbraw/zinc/02/16/16/277021616.db2.gz NQAIEWPECYTLGM-LSDHHAIUSA-N 1 0 274.408 2.699 50 0 CFAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000244716055 277045452 /nfs/dbraw/zinc/04/54/52/277045452.db2.gz LHPHVSXULJAEBM-HOTGVXAUSA-N 1 0 272.392 2.834 50 0 CFAARO CC(C)CC[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000095415854 277361239 /nfs/dbraw/zinc/36/12/39/277361239.db2.gz FAJJQVFUSRMVIA-AWEZNQCLSA-N 1 0 250.390 2.569 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](C)C2)CC1 ZINC000071925554 277383939 /nfs/dbraw/zinc/38/39/39/277383939.db2.gz MTJQXMNDVNIPSH-AWEZNQCLSA-N 1 0 281.444 2.548 50 0 CFAARO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000000292709 277736581 /nfs/dbraw/zinc/73/65/81/277736581.db2.gz QEYYWHAWYAVLKO-GJZGRUSLSA-N 1 0 251.345 2.915 50 0 CFAARO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC1CCCCC1 ZINC000006008030 278351300 /nfs/dbraw/zinc/35/13/00/278351300.db2.gz INQCLXMFWNEMJW-STQMWFEESA-N 1 0 252.402 2.698 50 0 CFAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCS1 ZINC000095969263 279245299 /nfs/dbraw/zinc/24/52/99/279245299.db2.gz VKCZJMCSERALHD-ZIAGYGMSSA-N 1 0 284.469 2.653 50 0 CFAARO C[C@H](C[S@](C)=O)[N@H+](C)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000188423323 279375327 /nfs/dbraw/zinc/37/53/27/279375327.db2.gz QQBHOFARDQATET-CKPCYDFHSA-N 1 0 285.375 2.806 50 0 CFAARO [NH3+]Cc1cc(Br)cc(Br)c1 ZINC000002575709 279657846 /nfs/dbraw/zinc/65/78/46/279657846.db2.gz UDXPHDTYBGZDNT-UHFFFAOYSA-N 1 0 264.948 2.670 50 0 CFAARO C[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)[C@@H]1C[NH3+] ZINC000070176211 279664367 /nfs/dbraw/zinc/66/43/67/279664367.db2.gz KBKZWLNVZHANKC-TVQRCGJNSA-N 1 0 284.762 2.679 50 0 CFAARO Cc1c2cccc(C)c2[nH]c1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000067820763 280267709 /nfs/dbraw/zinc/26/77/09/280267709.db2.gz AQXCKHGZTRBRMN-INIZCTEOSA-N 1 0 266.348 2.743 50 0 CFAARO O=[n+]1c(C2=CC=CCC2)cn(O)c2c1CCCCC2 ZINC000334157303 280384802 /nfs/dbraw/zinc/38/48/02/280384802.db2.gz QSOJBGSINALPMK-UHFFFAOYSA-N 1 0 259.329 2.642 50 0 CFAARO Cc1cc(Cl)cc2c1OC1(CC[NH2+]CC1)CC2=O ZINC000031817173 280504654 /nfs/dbraw/zinc/50/46/54/280504654.db2.gz SVQSDJLSWRBFIU-UHFFFAOYSA-N 1 0 265.740 2.736 50 0 CFAARO CC[C@H]1CCc2nc(NC(=O)C3([NH3+])CCCC3)sc2C1 ZINC000095956859 288248760 /nfs/dbraw/zinc/24/87/60/288248760.db2.gz MNHIXCCDFPHPRH-JTQLQIEISA-N 1 0 293.436 2.868 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095423897 280578717 /nfs/dbraw/zinc/57/87/17/280578717.db2.gz UYQRWCDWGNMKLE-UKRRQHHQSA-N 1 0 288.391 2.501 50 0 CFAARO CC[C@H]1C[N@H+](C)CC[C@@]1(OC(C)=O)c1ccccc1 ZINC000013152609 288280455 /nfs/dbraw/zinc/28/04/55/288280455.db2.gz LOWQPSFXEWFNSB-HOCLYGCPSA-N 1 0 261.365 2.807 50 0 CFAARO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nc1 ZINC000239761757 288298888 /nfs/dbraw/zinc/29/88/88/288298888.db2.gz CKKCVODFYGOXNA-OCCSQVGLSA-N 1 0 279.815 2.794 50 0 CFAARO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@H](C[NH3+])C1 ZINC000261881590 281112378 /nfs/dbraw/zinc/11/23/78/281112378.db2.gz UDFGOGQDJQZDQP-HIFRSBDPSA-N 1 0 297.402 2.881 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C)C ZINC000008553271 281128385 /nfs/dbraw/zinc/12/83/85/281128385.db2.gz LSKOBBMGJQZPPY-GDBMZVCRSA-N 1 0 272.392 2.785 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccc(C)o1)CCC2 ZINC000089656087 281550320 /nfs/dbraw/zinc/55/03/20/281550320.db2.gz VUVXLIPXECFFFR-ZDUSSCGKSA-N 1 0 259.353 2.760 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000237579979 292663031 /nfs/dbraw/zinc/66/30/31/292663031.db2.gz NOQLSNKRQQMYNW-LBTNJELSSA-N 1 0 286.419 2.827 50 0 CFAARO C[C@H](C[NH3+])CC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000237427208 289529827 /nfs/dbraw/zinc/52/98/27/289529827.db2.gz GTXYXVGVZMHMPQ-SLEUVZQESA-N 1 0 278.371 2.720 50 0 CFAARO CCCn1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000563582567 290161135 /nfs/dbraw/zinc/16/11/35/290161135.db2.gz MKXYWNWUMUJAGY-UHFFFAOYSA-N 1 0 284.403 2.518 50 0 CFAARO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCCN(C)C1)CCC2 ZINC000098020459 293432684 /nfs/dbraw/zinc/43/26/84/293432684.db2.gz VYIZHTMXZXSWQP-YPMHNXCESA-N 1 0 265.426 2.513 50 0 CFAARO NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000095985786 295048532 /nfs/dbraw/zinc/04/85/32/295048532.db2.gz BHSYSACRQBQBIW-CQSZACIVSA-N 1 0 266.772 2.646 50 0 CFAARO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000006996374 301227683 /nfs/dbraw/zinc/22/76/83/301227683.db2.gz CKDSLRYVWLKERY-JKSUJKDBSA-N 1 0 277.408 2.918 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccc(C)cc1)N(C)C ZINC000071837265 302480582 /nfs/dbraw/zinc/48/05/82/302480582.db2.gz LHQWWJVTAPHMMH-QGZVFWFLSA-N 1 0 286.423 2.727 50 0 CFAARO c1ccc(C2(c3ccccc3)C[C@H]2C2=[NH+]CCN2)cc1 ZINC000000002266 304854108 /nfs/dbraw/zinc/85/41/08/304854108.db2.gz IPOBOOXFSRWSHL-INIZCTEOSA-N 1 0 262.356 2.994 50 0 in-man CFAARO Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)n1C(F)F ZINC000534578258 328310983 /nfs/dbraw/zinc/31/09/83/328310983.db2.gz OVZKWKIIOCTHNY-GFCCVEGCSA-N 1 0 299.365 2.653 50 0 CFAARO Cc1csc(CC[NH2+][C@H](C)CCn2ccnc2C)n1 ZINC000534582499 328312333 /nfs/dbraw/zinc/31/23/33/328312333.db2.gz ZYLIWHMVMIDDHF-LLVKDONJSA-N 1 0 278.425 2.567 50 0 CFAARO CCc1nc(C)cc(N2CCCC3(CC[NH2+]CC3)CC2)n1 ZINC000534588218 328316614 /nfs/dbraw/zinc/31/66/14/328316614.db2.gz SRTCZKPQTIOWPG-UHFFFAOYSA-N 1 0 288.439 2.708 50 0 CFAARO CC(C)c1nc(N2CCCC3(CC[NH2+]CC3)CC2)no1 ZINC000534642218 328328833 /nfs/dbraw/zinc/32/88/33/328328833.db2.gz UQGBHXXCKBLONQ-UHFFFAOYSA-N 1 0 278.400 2.553 50 0 CFAARO Cc1c(C(=O)NC[C@H](c2ccccc2C)[NH+](C)C)ccn1C ZINC000534656979 328340640 /nfs/dbraw/zinc/34/06/40/328340640.db2.gz PZYPOBCFIFBZGV-QGZVFWFLSA-N 1 0 299.418 2.675 50 0 CFAARO Cc1nn(C[C@@H](C)[NH2+]CC2(CO)CCCC2)c(C)c1Cl ZINC000534666914 328345667 /nfs/dbraw/zinc/34/56/67/328345667.db2.gz MVEQZMRBNKLSFT-LLVKDONJSA-N 1 0 299.846 2.684 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000195568526 324109550 /nfs/dbraw/zinc/10/95/50/324109550.db2.gz SJUGKKUPKSZGGH-SOUVJXGZSA-N 1 0 264.413 2.579 50 0 CFAARO CC[C@H](O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000071909226 327106382 /nfs/dbraw/zinc/10/63/82/327106382.db2.gz AZAUWAXXWRYFKV-UONOGXRCSA-N 1 0 251.395 2.547 50 0 CFAARO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)CCCO2 ZINC000089466890 327170312 /nfs/dbraw/zinc/17/03/12/327170312.db2.gz RKVQQUXVHMWKSB-DAXOMENPSA-N 1 0 291.391 2.660 50 0 CFAARO C[C@H]([NH3+])C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000155259023 330669207 /nfs/dbraw/zinc/66/92/07/330669207.db2.gz WECCAEPFCSFJKU-JTQLQIEISA-N 1 0 274.295 2.904 50 0 CFAARO Cc1ccc(C)c([C@@H](O)CN2CCC([NH2+]C(C)C)CC2)c1 ZINC000096443313 533712378 /nfs/dbraw/zinc/71/23/78/533712378.db2.gz NHYRCDQLXZTULA-SFHVURJKSA-N 1 0 290.451 2.799 50 0 CFAARO Cc1ccc(C[NH2+]CC(C)(C)O)c(Br)c1 ZINC000096483928 534056137 /nfs/dbraw/zinc/05/61/37/534056137.db2.gz FYPPRWQUXGOUDJ-UHFFFAOYSA-N 1 0 272.186 2.618 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000096447531 534199268 /nfs/dbraw/zinc/19/92/68/534199268.db2.gz LGTBDOURKJSQFQ-PBHICJAKSA-N 1 0 284.359 2.715 50 0 CFAARO NC(=O)C[C@H]([NH2+]Cc1ccsc1)C1CCCCC1 ZINC000096494757 534352662 /nfs/dbraw/zinc/35/26/62/534352662.db2.gz BJYPIFLJDITEOA-ZDUSSCGKSA-N 1 0 266.410 2.662 50 0 CFAARO CC(C)Cc1nc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cs1 ZINC000156859976 519455393 /nfs/dbraw/zinc/45/53/93/519455393.db2.gz PUEHJQFWQZRUMQ-AAEUAGOBSA-N 1 0 295.452 2.541 50 0 CFAARO CC(C)c1cccc(N(C)C(=O)c2ccnc(C[NH3+])c2)c1 ZINC000361607870 519841506 /nfs/dbraw/zinc/84/15/06/519841506.db2.gz CYHYFBHZNPZKAJ-UHFFFAOYSA-N 1 0 283.375 2.940 50 0 CFAARO Fc1ccccc1[C@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000096493068 534534392 /nfs/dbraw/zinc/53/43/92/534534392.db2.gz DNJRUQJCVABKGN-AWEZNQCLSA-N 1 0 273.355 2.902 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000307946662 521725552 /nfs/dbraw/zinc/72/55/52/521725552.db2.gz KUZSPRQCDYDUIP-KXUCPTDWSA-N 1 0 271.348 2.564 50 0 CFAARO C[NH+](C)CC[C@@H]1CN(C(=O)CCC2CCCCC2)CCO1 ZINC000012299606 521811355 /nfs/dbraw/zinc/81/13/55/521811355.db2.gz RJACCCFLDJTMCK-MRXNPFEDSA-N 1 0 296.455 2.526 50 0 CFAARO COC[C@H]1CC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215101101 522843839 /nfs/dbraw/zinc/84/38/39/522843839.db2.gz DAWIFVYPMCZAIC-AWEZNQCLSA-N 1 0 289.423 2.993 50 0 CFAARO C[C@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@H]1[NH+](C)C ZINC000078895018 524456458 /nfs/dbraw/zinc/45/64/58/524456458.db2.gz RFDLDOFDKDXZGY-SWLSCSKDSA-N 1 0 292.398 2.512 50 0 CFAARO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000096477744 525358265 /nfs/dbraw/zinc/35/82/65/525358265.db2.gz YAZLRYMONBUHKV-NHYWBVRUSA-N 1 0 285.334 2.811 50 0 CFAARO CS[C@@H](C)CC[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000216069169 570304872 /nfs/dbraw/zinc/30/48/72/570304872.db2.gz NTOMGOSYHQDJOM-ZDUSSCGKSA-N 1 0 280.437 2.507 50 0 CFAARO CC(C)(C)n1nc(-c2ccco2)nc1[C@@H]1CCC[NH2+]C1 ZINC000952988978 614065184 /nfs/dbraw/zinc/06/51/84/614065184.db2.gz REBKVAHBFHZLRW-LLVKDONJSA-N 1 0 274.368 2.760 50 0 CFAARO CCCO[C@H]1CCC[N@H+](Cc2[nH]c(CC)nc2C)C1 ZINC000952966706 614951842 /nfs/dbraw/zinc/95/18/42/614951842.db2.gz DRXIJCXIRJGILX-ZDUSSCGKSA-N 1 0 265.401 2.672 50 0 CFAARO CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(Cl)c1F ZINC000952975878 615143725 /nfs/dbraw/zinc/14/37/25/615143725.db2.gz KHIXISRTKGVCJE-LBPRGKRZSA-N 1 0 284.762 2.580 50 0 CFAARO Cc1ccccc1O[C@@H](C)CC[C@@H](C)[NH2+]CCO ZINC000002931856 618095688 /nfs/dbraw/zinc/09/56/88/618095688.db2.gz QFKMWHPIUDSPJK-KGLIPLIRSA-N 1 0 251.370 2.513 50 0 CFAARO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000023281671 618358296 /nfs/dbraw/zinc/35/82/96/618358296.db2.gz HOQCKIUZQZMDSN-ZIAGYGMSSA-N 1 0 252.402 2.566 50 0 CFAARO CC[N@H+](C)[C@@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000888093307 619128549 /nfs/dbraw/zinc/12/85/49/619128549.db2.gz WDJVMZDOOZKGGN-SNVBAGLBSA-N 1 0 286.828 2.876 50 0 CFAARO CC(C)Oc1cccc(-c2cccc(N3CC[NH2+]CC3)n2)c1 ZINC000067540990 619982111 /nfs/dbraw/zinc/98/21/11/619982111.db2.gz ASBNHEDHOQIORC-UHFFFAOYSA-N 1 0 297.402 2.945 50 0 CFAARO O=C(CC[N@H+]1CC[C@@](O)(c2ccccc2)C1)c1ccccc1 ZINC000109543923 620120355 /nfs/dbraw/zinc/12/03/55/620120355.db2.gz VQVCZLZHAITTDM-IBGZPJMESA-N 1 0 295.382 2.853 50 0 CFAARO CCc1ccc(-c2noc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000874435604 624453061 /nfs/dbraw/zinc/45/30/61/624453061.db2.gz ZBOZJJQAESKKLQ-HUUCEWRRSA-N 1 0 299.374 2.835 50 0 CFAARO O=C(NC[C@@H]1CCC[N@@H+](CCCC(F)(F)F)C1)C1CC1 ZINC000952967691 626114704 /nfs/dbraw/zinc/11/47/04/626114704.db2.gz CGBVNNHNRBAJFH-NSHDSACASA-N 1 0 292.345 2.567 50 0 CFAARO Cc1nc[nH]c1C[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000952984597 626120277 /nfs/dbraw/zinc/12/02/77/626120277.db2.gz XEQLFLKYCNEAID-UHFFFAOYSA-N 1 0 284.407 2.785 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000863983388 637832613 /nfs/dbraw/zinc/83/26/13/637832613.db2.gz GMVSSGJBFJNCEH-STQMWFEESA-N 1 0 268.426 2.872 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)C1(Cl)CC1 ZINC000863984631 637832795 /nfs/dbraw/zinc/83/27/95/637832795.db2.gz XHQFIAHMTPVGGE-TZMCWYRMSA-N 1 0 267.800 2.902 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](C)C1(Br)CC1 ZINC000863984330 637832838 /nfs/dbraw/zinc/83/28/38/637832838.db2.gz SUYQFWGTYFKURZ-QMMMGPOBSA-N 1 0 275.215 2.857 50 0 CFAARO Cc1ncsc1C[NH2+][C@H](C)C1(Br)CC1 ZINC000863984329 637832863 /nfs/dbraw/zinc/83/28/63/637832863.db2.gz SUYQFWGTYFKURZ-MRVPVSSYSA-N 1 0 275.215 2.857 50 0 CFAARO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1scnc1C ZINC000863983673 637832886 /nfs/dbraw/zinc/83/28/86/637832886.db2.gz LZCILZLPBUGRDT-DGCLKSJQSA-N 1 0 256.415 2.871 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000863984701 637833385 /nfs/dbraw/zinc/83/33/85/637833385.db2.gz ZSPPFMUTXAQTBF-UMVBOHGHSA-N 1 0 274.412 2.708 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872042634 641577927 /nfs/dbraw/zinc/57/79/27/641577927.db2.gz QPPQCUYDGINZAO-DJIMGWMZSA-N 1 0 287.403 2.726 50 0 CFAARO Cc1n[nH]c(CN(C)CC[N@H+](C)C2CCCC2)c1Cl ZINC000952965647 650790166 /nfs/dbraw/zinc/79/01/66/650790166.db2.gz BBCUAWZNYVULIT-UHFFFAOYSA-N 1 0 284.835 2.678 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2cccs2)n1 ZINC000952983623 650791538 /nfs/dbraw/zinc/79/15/38/650791538.db2.gz QDFIUGAEDHYRJU-GFCCVEGCSA-N 1 0 263.410 2.782 50 0 CFAARO Cc1cccc(CN(Cc2nccn2C)C[C@H]2CCCO2)c1 ZINC000952985182 650791983 /nfs/dbraw/zinc/79/19/83/650791983.db2.gz QEBLRLZGPCHUMY-QGZVFWFLSA-N 1 0 299.418 2.910 50 0 CFAARO C[C@@H]1C[N@H+](CCCC(=O)c2ccc(F)cc2)CC[C@]1(C)O ZINC000092078848 650914458 /nfs/dbraw/zinc/91/44/58/650914458.db2.gz OGHXGQJYHWIQKJ-DYVFJYSZSA-N 1 0 293.382 2.881 50 0 CFAARO CN1CCc2c1[nH+]c1ccc(Br)cc1c2N ZINC000000190362 651100346 /nfs/dbraw/zinc/10/03/46/651100346.db2.gz SGUXXMZBFKDFAD-UHFFFAOYSA-N 1 0 278.153 2.572 50 0 CFAARO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000000758202 651113644 /nfs/dbraw/zinc/11/36/44/651113644.db2.gz ATOIFDNGIQBLAA-GJZGRUSLSA-N 1 0 251.345 2.915 50 0 CFAARO c1ccc(OCCCCCC[NH+]2CCOCC2)cc1 ZINC000019595446 651291075 /nfs/dbraw/zinc/29/10/75/651291075.db2.gz NNRPNEHNCKMCSJ-UHFFFAOYSA-N 1 0 263.381 2.958 50 0 CFAARO Clc1ccc(OCCOCC[NH+]2CCCC2)cc1 ZINC000023549930 775476035 /nfs/dbraw/zinc/47/60/35/775476035.db2.gz DIYMJPKEOSANBV-UHFFFAOYSA-N 1 0 269.772 2.831 50 0 CFAARO O=C1CC[C@@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)N1 ZINC000675016255 775983240 /nfs/dbraw/zinc/98/32/40/775983240.db2.gz BOEOVPGRPVBBET-AWEZNQCLSA-N 1 0 298.308 2.560 50 0 CFAARO COc1ccc(-c2ccccc2CC[NH3+])c(OC)c1OC ZINC000032593178 779073134 /nfs/dbraw/zinc/07/31/34/779073134.db2.gz DHJHMJWCEFYCHB-UHFFFAOYSA-N 1 0 287.359 2.881 50 0 CFAARO CCCCc1cn(CC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000063871975 781562453 /nfs/dbraw/zinc/56/24/53/781562453.db2.gz YSGJNLKHBRILCR-UHFFFAOYSA-N 1 0 299.422 2.932 50 0 CFAARO CCCC[C@H](NC(=O)CC[NH+]1CCCC1)c1cccnc1 ZINC000822830936 781911123 /nfs/dbraw/zinc/91/11/23/781911123.db2.gz SYPYFJPLEFJSHL-INIZCTEOSA-N 1 0 289.423 2.915 50 0 CFAARO CCCc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc(C)n1 ZINC000823009634 781916310 /nfs/dbraw/zinc/91/63/10/781916310.db2.gz HBIIRAFOFJGHCP-ZIAGYGMSSA-N 1 0 262.401 2.632 50 0 CFAARO Cc1ccc2nc(C[N@@H+](C)C3CCCCC3)cc(=O)n2c1 ZINC000007786390 230370166 /nfs/dbraw/zinc/37/01/66/230370166.db2.gz FLMFWTAUKCXNFI-UHFFFAOYSA-N 1 0 285.391 2.767 50 0 CFAARO OCCC[C@H]1CCC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000096466207 230378433 /nfs/dbraw/zinc/37/84/33/230378433.db2.gz DYMBXEMAEFXAOJ-GFCCVEGCSA-N 1 0 278.327 2.704 50 0 CFAARO CCc1nnc(C[NH2+][C@@H](C)C(C)(C)c2ccccc2)n1C ZINC000096491389 230382839 /nfs/dbraw/zinc/38/28/39/230382839.db2.gz QOSDEWGUOLAYMJ-ZDUSSCGKSA-N 1 0 286.423 2.833 50 0 CFAARO c1cc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000096493343 230383227 /nfs/dbraw/zinc/38/32/27/230383227.db2.gz JSXNHWYWNMBTCY-MCIONIFRSA-N 1 0 263.406 2.838 50 0 CFAARO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(C)c1C ZINC000097805579 230387423 /nfs/dbraw/zinc/38/74/23/230387423.db2.gz HWLQODOEPLGIAJ-QGZVFWFLSA-N 1 0 288.435 2.982 50 0 CFAARO CSc1cccc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000097819700 230387828 /nfs/dbraw/zinc/38/78/28/230387828.db2.gz TZFAGRNAWRJVTP-HNNXBMFYSA-N 1 0 292.448 2.851 50 0 CFAARO Cc1nc2ccccc2nc1C[N@H+](C)CCCn1cccn1 ZINC000215219619 282080976 /nfs/dbraw/zinc/08/09/76/282080976.db2.gz RETWCDKKBDDMGJ-UHFFFAOYSA-N 1 0 295.390 2.657 50 0 CFAARO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)c1 ZINC000004060857 230368067 /nfs/dbraw/zinc/36/80/67/230368067.db2.gz YDBPAMFTYNDWQO-XIRDDKMYSA-N 1 0 291.391 2.660 50 0 CFAARO CC[NH+](CC)CCNC(=O)Nc1ccc2scnc2c1 ZINC000095507671 185000832 /nfs/dbraw/zinc/00/08/32/185000832.db2.gz LPXLDXHNPSBCJG-UHFFFAOYSA-N 1 0 292.408 2.760 50 0 CFAARO c1cnn(CC[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186912856 230395751 /nfs/dbraw/zinc/39/57/51/230395751.db2.gz ZHJAZEKIMXHFLL-UHFFFAOYSA-N 1 0 261.394 2.824 50 0 CFAARO COc1cccc2c1OC[C@@H](Cc1ccc(N)[nH+]c1C)C2 ZINC000095526464 185003598 /nfs/dbraw/zinc/00/35/98/185003598.db2.gz FKDSTZLOMCZLBN-LBPRGKRZSA-N 1 0 284.359 2.775 50 0 CFAARO CCCc1nnc(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)o1 ZINC000095530312 185005282 /nfs/dbraw/zinc/00/52/82/185005282.db2.gz YDQDDNZGSGABDR-QWHCGFSZSA-N 1 0 278.400 2.699 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000269188386 190474868 /nfs/dbraw/zinc/47/48/68/190474868.db2.gz VGFQYLCAJILBIQ-LLVKDONJSA-N 1 0 274.389 2.583 50 0 CFAARO O=C(OCc1ccccc1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000095932382 185032938 /nfs/dbraw/zinc/03/29/38/185032938.db2.gz ZEIFMAOPUIBSJN-UHFFFAOYSA-N 1 0 288.391 2.789 50 0 CFAARO CC[C@@H]([NH2+]C[C@@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000095968404 185046529 /nfs/dbraw/zinc/04/65/29/185046529.db2.gz OUGSISYMGVTNKZ-HZPDHXFCSA-N 1 0 291.370 2.508 50 0 CFAARO CCc1ccc([C@H](C)[NH2+]CCOc2cccnc2)o1 ZINC000095968032 185047071 /nfs/dbraw/zinc/04/70/71/185047071.db2.gz RSRWHNBXFYSZLK-LBPRGKRZSA-N 1 0 260.337 2.967 50 0 CFAARO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc2ccccc2o1 ZINC000095968893 185047899 /nfs/dbraw/zinc/04/78/99/185047899.db2.gz PICXNDSKXGUIJX-NHYWBVRUSA-N 1 0 277.389 2.951 50 0 CFAARO C[C@H](CC(N)=O)[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000095969247 185047903 /nfs/dbraw/zinc/04/79/03/185047903.db2.gz GPABZFZZBZITLF-SJKOYZFVSA-N 1 0 286.350 2.769 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CO)c1ccccc1OC(F)(F)F ZINC000095968673 185048150 /nfs/dbraw/zinc/04/81/50/185048150.db2.gz ZYQHZJVPPXAIAO-DTWKUNHWSA-N 1 0 263.259 2.617 50 0 CFAARO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCSC1 ZINC000095976608 185050932 /nfs/dbraw/zinc/05/09/32/185050932.db2.gz TXMRBVUHIMTHTQ-MRXNPFEDSA-N 1 0 287.432 2.869 50 0 CFAARO C[C@@H](C[N@@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000095982635 185054433 /nfs/dbraw/zinc/05/44/33/185054433.db2.gz ALYJNZOALBKICX-GWCFXTLKSA-N 1 0 284.197 2.619 50 0 CFAARO CNC(=O)CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000095984959 185054775 /nfs/dbraw/zinc/05/47/75/185054775.db2.gz COPWSUOCFVYPPM-HNNXBMFYSA-N 1 0 280.799 2.907 50 0 CFAARO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)o1 ZINC000095985382 185054840 /nfs/dbraw/zinc/05/48/40/185054840.db2.gz AUKDNUBRQCZHTD-MNOVXSKESA-N 1 0 281.352 2.532 50 0 CFAARO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000095984218 185055184 /nfs/dbraw/zinc/05/51/84/185055184.db2.gz WLHVGLHFUUJLPU-CYBMUJFWSA-N 1 0 260.381 2.514 50 0 CFAARO CC[C@@H](C(=O)NCc1c(F)ccc(C)c1F)[N@H+](C)CC ZINC000823061355 781919110 /nfs/dbraw/zinc/91/91/10/781919110.db2.gz RPQXWTWEEBTPKO-ZDUSSCGKSA-N 1 0 284.350 2.620 50 0 CFAARO CCS[C@@H]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2OC)C1 ZINC000095990133 185057805 /nfs/dbraw/zinc/05/78/05/185057805.db2.gz DMDGKZCJBJDDBU-NWDGAFQWSA-N 1 0 283.441 2.501 50 0 CFAARO CCOc1ccccc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000095990172 185057862 /nfs/dbraw/zinc/05/78/62/185057862.db2.gz JHJMSUWUQWWBIA-INIZCTEOSA-N 1 0 297.402 2.849 50 0 CFAARO CCS[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2OC)C1 ZINC000095990134 185057899 /nfs/dbraw/zinc/05/78/99/185057899.db2.gz DMDGKZCJBJDDBU-RYUDHWBXSA-N 1 0 283.441 2.501 50 0 CFAARO CCC1([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CCC1 ZINC000095991493 185058756 /nfs/dbraw/zinc/05/87/56/185058756.db2.gz JUIIXENFYVRUJT-LBPRGKRZSA-N 1 0 271.368 2.646 50 0 CFAARO NC(=O)C[C@@H]([NH2+]Cc1cccs1)C1CCCCC1 ZINC000095991101 185058814 /nfs/dbraw/zinc/05/88/14/185058814.db2.gz CTPMGVMFSSTQDT-CYBMUJFWSA-N 1 0 266.410 2.662 50 0 CFAARO CC[C@H]1CCC[C@H](C[N@H+](CCOC)C(C)(C)CO)C1 ZINC000096011457 185065408 /nfs/dbraw/zinc/06/54/08/185065408.db2.gz GKYYFEWCDDACEK-GJZGRUSLSA-N 1 0 271.445 2.922 50 0 CFAARO C[C@H](c1cccc(-c2ccc(N(C)C)nn2)c1)[NH+](C)C ZINC000096139247 185105752 /nfs/dbraw/zinc/10/57/52/185105752.db2.gz KKFVVKPFBKCQAY-GFCCVEGCSA-N 1 0 270.380 2.832 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000096904548 185128474 /nfs/dbraw/zinc/12/84/74/185128474.db2.gz IFDBAHCVECWPDA-YVMONPNESA-N 1 0 290.382 2.828 50 0 CFAARO COC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000097033300 185155801 /nfs/dbraw/zinc/15/58/01/185155801.db2.gz DTKBIWAEPPDIGI-IAQYHMDHSA-N 1 0 285.334 2.669 50 0 CFAARO CCc1sc([C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1C ZINC000097033442 185156194 /nfs/dbraw/zinc/15/61/94/185156194.db2.gz VHZVODPBWVGMGD-WDEREUQCSA-N 1 0 289.466 2.703 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000069951437 346903624 /nfs/dbraw/zinc/90/36/24/346903624.db2.gz KMKDXDLUGBCBAA-UHFFFAOYSA-N 1 0 299.353 2.511 50 0 CFAARO C[NH+]1CCC(NC(=S)N2CCC[C@@H]2C2CCCC2)CC1 ZINC000070006773 346905811 /nfs/dbraw/zinc/90/58/11/346905811.db2.gz GUSQJPXVUGACDQ-OAHLLOKOSA-N 1 0 295.496 2.610 50 0 CFAARO CC[NH+]1CCC([C@@H](C)OC(=O)CCc2cscn2)CC1 ZINC000075105901 347056178 /nfs/dbraw/zinc/05/61/78/347056178.db2.gz UHHQFNZJUXUXRL-GFCCVEGCSA-N 1 0 296.436 2.739 50 0 CFAARO CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000001080749 346205350 /nfs/dbraw/zinc/20/53/50/346205350.db2.gz CESFOVNVFNXRAX-XJKCOSOUSA-N 1 0 261.365 2.849 50 0 CFAARO C[C@@H](COC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000004855990 346210290 /nfs/dbraw/zinc/21/02/90/346210290.db2.gz XLDFOJQHGJNJKW-RDJZCZTQSA-N 1 0 277.408 2.654 50 0 CFAARO CCOC(=O)CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000005808694 346212542 /nfs/dbraw/zinc/21/25/42/346212542.db2.gz DJXZYWZEALQOSK-AWEZNQCLSA-N 1 0 262.353 2.562 50 0 CFAARO CN(CCCCc1ccccc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368728 179038614 /nfs/dbraw/zinc/03/86/14/179038614.db2.gz JIQWYNKMCRVSCS-HZPDHXFCSA-N 1 0 274.408 2.595 50 0 CFAARO C[NH2+]C1(c2nnnn2-c2cccc(Cl)c2)CCCCC1 ZINC000034145120 346314829 /nfs/dbraw/zinc/31/48/29/346314829.db2.gz ZPSGLKHRWPSKHP-UHFFFAOYSA-N 1 0 291.786 2.695 50 0 CFAARO Cc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)c(C)c1 ZINC000237762703 136536653 /nfs/dbraw/zinc/53/66/53/136536653.db2.gz BIWDGVVCOGGTSW-UHFFFAOYSA-N 1 0 296.418 2.852 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000076057856 347117493 /nfs/dbraw/zinc/11/74/93/347117493.db2.gz BTYKJYZJTHYAEC-MFKMUULPSA-N 1 0 296.798 2.670 50 0 CFAARO CN(C)c1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000078757952 347274316 /nfs/dbraw/zinc/27/43/16/347274316.db2.gz YSLXQTFZDCVWSI-UHFFFAOYSA-N 1 0 256.349 2.748 50 0 CFAARO COC(C)(C)C[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000080337493 347354650 /nfs/dbraw/zinc/35/46/50/347354650.db2.gz RRFQUSKBXGXCPK-UHFFFAOYSA-N 1 0 277.393 2.720 50 0 CFAARO Cn1c2ccc(Br)cc2c2c1CC[NH2+]CC2 ZINC000084805478 347474724 /nfs/dbraw/zinc/47/47/24/347474724.db2.gz VJLNNZMTWCFXDT-UHFFFAOYSA-N 1 0 279.181 2.629 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)[C@@H](C)C1 ZINC000089570298 347521844 /nfs/dbraw/zinc/52/18/44/347521844.db2.gz GLDCHFXFIMLFFE-YJBOKZPZSA-N 1 0 288.435 2.958 50 0 CFAARO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCCCC1 ZINC000095467198 347698471 /nfs/dbraw/zinc/69/84/71/347698471.db2.gz IOTNDURBTDLMDV-CYBMUJFWSA-N 1 0 281.444 2.691 50 0 CFAARO CC(C)C(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]1C ZINC000095882820 347699057 /nfs/dbraw/zinc/69/90/57/347699057.db2.gz PNEKCZNQOVAYFM-XJKSGUPXSA-N 1 0 261.365 2.805 50 0 CFAARO CCCC[NH2+]C[C@H]1COc2c(C)ccc(C)c2C1=O ZINC000096026801 347700722 /nfs/dbraw/zinc/70/07/22/347700722.db2.gz BJAWQWUGJAJGHM-ZDUSSCGKSA-N 1 0 261.365 2.884 50 0 CFAARO CC[C@@H]([NH3+])c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000113648420 347768210 /nfs/dbraw/zinc/76/82/10/347768210.db2.gz BNMGOWXQUZHWIO-CYBMUJFWSA-N 1 0 297.333 2.935 50 0 CFAARO CCOc1ccccc1O[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000110703929 347749355 /nfs/dbraw/zinc/74/93/55/347749355.db2.gz SMEQUXUGXUJYAP-SOUVJXGZSA-N 1 0 291.391 2.764 50 0 CFAARO OC[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000121369088 347811451 /nfs/dbraw/zinc/81/14/51/347811451.db2.gz OQNQUUSLCAQSRM-XKQJLSEDSA-N 1 0 259.393 2.685 50 0 CFAARO C[C@@H](CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1cccs1 ZINC000127258845 347840382 /nfs/dbraw/zinc/84/03/82/347840382.db2.gz BREWKXKEGKLCQM-WFASDCNBSA-N 1 0 292.448 2.842 50 0 CFAARO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1nccs1 ZINC000086508049 179303672 /nfs/dbraw/zinc/30/36/72/179303672.db2.gz JRYIEVGSOPLTKD-QWRGUYRKSA-N 1 0 276.361 2.634 50 0 CFAARO CC[C@@]1(C(=O)Nc2ccc3[nH]c(C)cc3c2)CCC[NH2+]1 ZINC000134394734 347897677 /nfs/dbraw/zinc/89/76/77/347897677.db2.gz FMNSZKYZCGBCGN-INIZCTEOSA-N 1 0 271.364 2.947 50 0 CFAARO c1cc2c(o1)CCC[C@@H]2[NH2+]CCOc1cccnc1 ZINC000170088898 348053554 /nfs/dbraw/zinc/05/35/54/348053554.db2.gz DYPPTAZHRIENKY-AWEZNQCLSA-N 1 0 258.321 2.721 50 0 CFAARO C[NH2+]C[C@@H](C)C(=O)N([C@@H](C)c1ccccc1F)C1CC1 ZINC000170048783 348053666 /nfs/dbraw/zinc/05/36/66/348053666.db2.gz AHKBMTMDMPLUFR-NEPJUHHUSA-N 1 0 278.371 2.733 50 0 CFAARO CC[C@H](C)C[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000170591163 348054175 /nfs/dbraw/zinc/05/41/75/348054175.db2.gz XNBILAMRQAOKSV-AWEZNQCLSA-N 1 0 284.407 2.798 50 0 CFAARO Nc1cccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)n1 ZINC000170616831 348057499 /nfs/dbraw/zinc/05/74/99/348057499.db2.gz GNUWVTWPEOSLSL-QGZVFWFLSA-N 1 0 297.402 2.845 50 0 CFAARO CC(F)(F)CCC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000170623000 348057594 /nfs/dbraw/zinc/05/75/94/348057594.db2.gz YKBYTZYEYRZSEY-UHFFFAOYSA-N 1 0 296.361 2.596 50 0 CFAARO C[N@H+](Cc1ccccc1-n1cccn1)[C@H]1CCSC1 ZINC000130487235 539601105 /nfs/dbraw/zinc/60/11/05/539601105.db2.gz PWZQTWIGIHUYQD-AWEZNQCLSA-N 1 0 273.405 2.810 50 0 CFAARO O=S1(=O)CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCCCC1 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CCCn1ncc(CN2CC[NH2+][C@H](c3ccccc3)C2)c1C ZINC000230509651 348206069 /nfs/dbraw/zinc/20/60/69/348206069.db2.gz GGFKDCSQSHTTLW-SFHVURJKSA-N 1 0 298.434 2.748 50 0 CFAARO OCC[C@@H]1CCC[C@H]1[NH2+][C@H](c1cccs1)c1ncc[nH]1 ZINC000248830570 348277725 /nfs/dbraw/zinc/27/77/25/348277725.db2.gz FEXDOQCRQDNYEY-OUCADQQQSA-N 1 0 291.420 2.701 50 0 CFAARO OCC[C@@H]1CCC[C@@H]1[NH2+][C@H](c1cccs1)c1ncc[nH]1 ZINC000248831223 348277748 /nfs/dbraw/zinc/27/77/48/348277748.db2.gz FEXDOQCRQDNYEY-SGMGOOAPSA-N 1 0 291.420 2.701 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000409421183 348600375 /nfs/dbraw/zinc/60/03/75/348600375.db2.gz XEPDQRYMXACBGD-HNNXBMFYSA-N 1 0 275.396 2.854 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000409421117 348600681 /nfs/dbraw/zinc/60/06/81/348600681.db2.gz LDRGXCLHICEEPV-CYBMUJFWSA-N 1 0 273.336 2.570 50 0 CFAARO Cc1cc(C)c(C[NH2+][C@@H](C)CN2CCCCC2)cn1 ZINC000584887635 348727370 /nfs/dbraw/zinc/72/73/70/348727370.db2.gz ADUHIZLLISURIZ-HNNXBMFYSA-N 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UTDPEKGBSGQKLC-OAHLLOKOSA-N 1 0 296.455 2.716 50 0 CFAARO Fc1cccc(-n2cc(C[NH2+][C@H]3CCSC3)cn2)c1 ZINC000584893324 348730463 /nfs/dbraw/zinc/73/04/63/348730463.db2.gz QQNWDQODIRNTAJ-ZDUSSCGKSA-N 1 0 277.368 2.607 50 0 CFAARO Cc1cccc(N2CCC([NH2+][C@@H]3CCCN(C)C3)CC2)c1 ZINC000584896001 348731219 /nfs/dbraw/zinc/73/12/19/348731219.db2.gz HZQGHFNMCCVSRX-QGZVFWFLSA-N 1 0 287.451 2.648 50 0 CFAARO OC1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CCCOC2)CC1 ZINC000584901858 348732880 /nfs/dbraw/zinc/73/28/80/348732880.db2.gz YWHQSNIXAKAGQH-HNNXBMFYSA-N 1 0 295.810 2.802 50 0 CFAARO Cc1cc(Cl)cc2c(=O)n(CC(C)(C)[NH+](C)C)cnc12 ZINC000584901181 348733085 /nfs/dbraw/zinc/73/30/85/348733085.db2.gz HZQMZDPGGPQGEU-UHFFFAOYSA-N 1 0 293.798 2.699 50 0 CFAARO CSCCC(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584904029 348733639 /nfs/dbraw/zinc/73/36/39/348733639.db2.gz ITAULRNJSXHNMN-UHFFFAOYSA-N 1 0 284.469 2.607 50 0 CFAARO C[C@H]1C[C@@H](C(=O)N2CCCCCCC2)CC[N@@H+]1C ZINC000585139222 348736368 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180221302 /nfs/dbraw/zinc/22/13/02/180221302.db2.gz XBRKAQUJCFMHSW-AWEZNQCLSA-N 1 0 267.372 2.982 50 0 CFAARO CC1(C)C[N@H+](CCOCc2ccccc2)CC[C@]1(C)O ZINC000091895056 180281995 /nfs/dbraw/zinc/28/19/95/180281995.db2.gz KRUBAVKSPWODFQ-KRWDZBQOSA-N 1 0 277.408 2.686 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H]2CCCO2)c(Cl)c1OC ZINC000106366473 186110930 /nfs/dbraw/zinc/11/09/30/186110930.db2.gz XBMJUCVQGPDEGO-NSHDSACASA-N 1 0 285.771 2.626 50 0 CFAARO C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCCCO1 ZINC000092427377 180383371 /nfs/dbraw/zinc/38/33/71/180383371.db2.gz VMMYSXSKVOPLCK-KRWDZBQOSA-N 1 0 285.391 2.873 50 0 CFAARO c1cc2c(cc1[C@H]1CCC[N@H+]1C[C@H]1CCOC1)OCCO2 ZINC000106824289 186137722 /nfs/dbraw/zinc/13/77/22/186137722.db2.gz LVSFXYGSZSENNJ-UKRRQHHQSA-N 1 0 289.375 2.631 50 0 CFAARO CCOC[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000106853134 186143182 /nfs/dbraw/zinc/14/31/82/186143182.db2.gz JHNOOEYTEMPGBU-IUODEOHRSA-N 1 0 269.360 2.606 50 0 CFAARO C[C@@H]1CCC[C@H](CCN2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000107361353 186172012 /nfs/dbraw/zinc/17/20/12/186172012.db2.gz VZXLVQYOJMTAHK-KZNAEPCWSA-N 1 0 294.483 2.857 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(Cl)c1OC ZINC000110823034 186327894 /nfs/dbraw/zinc/32/78/94/186327894.db2.gz OOTZMUBUJFVREM-VXGBXAGGSA-N 1 0 299.798 2.750 50 0 CFAARO C[C@H](CCc1ccccc1)Sc1nc(N)cc(N)[nH+]1 ZINC000048353820 539932716 /nfs/dbraw/zinc/93/27/16/539932716.db2.gz LEDPLMGMZZPVGX-SNVBAGLBSA-N 1 0 274.393 2.754 50 0 CFAARO CC(C)(CC(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000152773490 188043142 /nfs/dbraw/zinc/04/31/42/188043142.db2.gz GPKWHVRISZRKNH-HNNXBMFYSA-N 1 0 288.435 2.860 50 0 CFAARO CCS[C@@H]1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156132117 188244275 /nfs/dbraw/zinc/24/42/75/188244275.db2.gz KEQRRASUIVHBCO-UONOGXRCSA-N 1 0 285.453 2.936 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 ZINC000156266543 188252435 /nfs/dbraw/zinc/25/24/35/188252435.db2.gz FRQKZLZFAIIUGA-BRQSLIGTSA-N 1 0 294.345 2.564 50 0 CFAARO C=CCOc1cccc(NC(=O)NNc2cc[nH+]cc2)c1 ZINC000096004121 539994775 /nfs/dbraw/zinc/99/47/75/539994775.db2.gz ZCZOFQXNVOCLDE-UHFFFAOYSA-N 1 0 284.319 2.795 50 0 CFAARO C[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000158074635 188355269 /nfs/dbraw/zinc/35/52/69/188355269.db2.gz SURDROQTWMXIDT-RDTXWAMCSA-N 1 0 294.398 2.702 50 0 CFAARO C[C@@H](CCO)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000170064033 188668083 /nfs/dbraw/zinc/66/80/83/188668083.db2.gz IMYYSPWFYCDOOR-NHYWBVRUSA-N 1 0 251.345 2.811 50 0 CFAARO Cc1ccoc1C[NH2+][C@@H]1CCN(C(=O)C(C)C)C[C@@H]1C ZINC000084251186 540197931 /nfs/dbraw/zinc/19/79/31/540197931.db2.gz GVYFMJCPTYZEBP-UONOGXRCSA-N 1 0 278.396 2.571 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1F ZINC000085334695 540219313 /nfs/dbraw/zinc/21/93/13/540219313.db2.gz DTXWAUPQWWWPHK-NVXWUHKLSA-N 1 0 287.334 2.582 50 0 CFAARO COC1(C[NH2+][C@@H](C)c2ccsc2)CCOCC1 ZINC000090653217 540373282 /nfs/dbraw/zinc/37/32/82/540373282.db2.gz ALMADHRDWGBUOZ-NSHDSACASA-N 1 0 255.383 2.594 50 0 CFAARO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)C1CCC1 ZINC000090856012 540381825 /nfs/dbraw/zinc/38/18/25/540381825.db2.gz ZYPUVNDMQHPHAO-KBPBESRZSA-N 1 0 266.429 2.946 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000294656524 199125758 /nfs/dbraw/zinc/12/57/58/199125758.db2.gz CIVQBEGLPDGFIE-YWPYICTPSA-N 1 0 273.380 2.500 50 0 CFAARO NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000005900299 283355001 /nfs/dbraw/zinc/35/50/01/283355001.db2.gz OVXHCXQXXLLNRL-ROUUACIJSA-N 1 0 294.398 2.778 50 0 CFAARO Cc1ccc2cc(C[N@H+](C)C[C@@H]3CCOC3)c(=O)[nH]c2c1 ZINC000823708597 781936129 /nfs/dbraw/zinc/93/61/29/781936129.db2.gz XODWCSMBEYGPMW-ZDUSSCGKSA-N 1 0 286.375 2.717 50 0 CFAARO NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100652936 283521846 /nfs/dbraw/zinc/52/18/46/283521846.db2.gz WOWGXXNANQWGIH-AOOOYVTPSA-N 1 0 289.404 2.628 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cn1 ZINC000095987805 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COc1ccccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000011916215 371935697 /nfs/dbraw/zinc/93/56/97/371935697.db2.gz OEQIZJYAFPZNOM-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO Cc1ccccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000011961850 371937912 /nfs/dbraw/zinc/93/79/12/371937912.db2.gz BYUGLEDJVBZJND-AWEZNQCLSA-N 1 0 254.333 2.504 50 0 CFAARO CSc1ccc(CN2CCO[C@@H](CC[NH+](C)C)C2)cc1 ZINC000011935056 371938418 /nfs/dbraw/zinc/93/84/18/371938418.db2.gz KEOAWLUEGHQKPG-HNNXBMFYSA-N 1 0 294.464 2.561 50 0 CFAARO Clc1cc(Br)ccc1N1CC[NH2+]CC1 ZINC000008418018 371898071 /nfs/dbraw/zinc/89/80/71/371898071.db2.gz OTSXMQBXKSBTJR-UHFFFAOYSA-N 1 0 275.577 2.512 50 0 CFAARO CCOc1c(C[NH2+]C)cc(Br)cc1OC ZINC000010474696 371910534 /nfs/dbraw/zinc/91/05/34/371910534.db2.gz DQLXWDXRUZPASL-UHFFFAOYSA-N 1 0 274.158 2.576 50 0 CFAARO [NH2+]=C(NC1CC1)SCc1cc(F)cc2c1OCOC2 ZINC000011255726 371918058 /nfs/dbraw/zinc/91/80/58/371918058.db2.gz YVMORKLJRLSZCI-UHFFFAOYSA-N 1 0 282.340 2.612 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000011847295 371931987 /nfs/dbraw/zinc/93/19/87/371931987.db2.gz KKCDJKPEBVZDHO-CZUORRHYSA-N 1 0 297.826 2.949 50 0 CFAARO C[C@H](C(=O)NC1CC1)[NH+]1CCC(c2ccccc2)CC1 ZINC000012946843 372002296 /nfs/dbraw/zinc/00/22/96/372002296.db2.gz PEVDEGBJZLCZDJ-CYBMUJFWSA-N 1 0 272.392 2.533 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(F)c1)c1cccs1 ZINC000012874164 371992998 /nfs/dbraw/zinc/99/29/98/371992998.db2.gz GCHIGYUTUKNUJK-ZDUSSCGKSA-N 1 0 292.379 2.920 50 0 CFAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012363223 371955953 /nfs/dbraw/zinc/95/59/53/371955953.db2.gz VDYXTVZTXYQWHW-TXEJJXNPSA-N 1 0 296.798 2.778 50 0 CFAARO CCC(CC)C[NH+]1CCN(C(=O)NC2CCCC2)CC1 ZINC000013328272 372023029 /nfs/dbraw/zinc/02/30/29/372023029.db2.gz FBUYJTRLGQDRKY-UHFFFAOYSA-N 1 0 281.444 2.692 50 0 CFAARO C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000013326354 372023120 /nfs/dbraw/zinc/02/31/20/372023120.db2.gz UCOYKVIQQZCLLH-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO Cc1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000014166959 372060885 /nfs/dbraw/zinc/06/08/85/372060885.db2.gz CLZUMMYCLURBJY-UHFFFAOYSA-N 1 0 261.369 2.602 50 0 CFAARO CCOc1c(C[NH2+]CCCOC)cc(Cl)cc1OC ZINC000013722660 372044206 /nfs/dbraw/zinc/04/42/06/372044206.db2.gz QANMKJQDRJKATQ-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO CC(C)[C@H](CC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000013729999 372044460 /nfs/dbraw/zinc/04/44/60/372044460.db2.gz SQWCPMIFOWFDHL-INIZCTEOSA-N 1 0 276.424 2.884 50 0 CFAARO CCOc1cc(C[NH2+]CCCOC(C)C)ccc1OC ZINC000013721854 372044536 /nfs/dbraw/zinc/04/45/36/372044536.db2.gz GWBMPSIYYVOJJI-UHFFFAOYSA-N 1 0 281.396 2.999 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+]CCCCCO ZINC000013718278 372044812 /nfs/dbraw/zinc/04/48/12/372044812.db2.gz FTXXFEMHAKZGGT-UHFFFAOYSA-N 1 0 257.761 2.601 50 0 CFAARO CCOc1ccc(CNCCC[NH+](CC)CC)cc1 ZINC000013734206 372046201 /nfs/dbraw/zinc/04/62/01/372046201.db2.gz RSCVMFZSUJKAEE-UHFFFAOYSA-N 1 0 264.413 2.907 50 0 CFAARO c1cnc(Oc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)nc1 ZINC000013731570 372046660 /nfs/dbraw/zinc/04/66/60/372046660.db2.gz LDZBDSOWLUFSMU-HNNXBMFYSA-N 1 0 285.347 2.538 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COC2CCCCC2)C1 ZINC000016579150 372110237 /nfs/dbraw/zinc/11/02/37/372110237.db2.gz KDIJQKVDTOMHMR-QLFBSQMISA-N 1 0 269.429 2.675 50 0 CFAARO C/C(=C/C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1F ZINC000237421789 189876020 /nfs/dbraw/zinc/87/60/20/189876020.db2.gz NVMXPXCIVUVHSJ-ZFRJQFIBSA-N 1 0 290.382 2.815 50 0 CFAARO CCCc1ccc(C(=O)N2CC[NH+](CCC)CC2)cc1 ZINC000016580077 372111809 /nfs/dbraw/zinc/11/18/09/372111809.db2.gz MEJRXNKSJGTZGC-UHFFFAOYSA-N 1 0 274.408 2.807 50 0 CFAARO CCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016580470 372111857 /nfs/dbraw/zinc/11/18/57/372111857.db2.gz GSZKWGTXPJELNS-UHFFFAOYSA-N 1 0 260.381 2.567 50 0 CFAARO CC(C)(C)CN1C[C@@H]([NH2+]C2CCCCC2)CC1=O ZINC000014952161 372075470 /nfs/dbraw/zinc/07/54/70/372075470.db2.gz KLRJKDOAXADVHN-ZDUSSCGKSA-N 1 0 252.402 2.556 50 0 CFAARO C[C@H](c1ccccc1)[N@H+](C)CC(=O)NCc1ccco1 ZINC000015371994 372082973 /nfs/dbraw/zinc/08/29/73/372082973.db2.gz YNFBSOUTVZEYAX-CYBMUJFWSA-N 1 0 272.348 2.589 50 0 CFAARO Cc1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000018172794 372140734 /nfs/dbraw/zinc/14/07/34/372140734.db2.gz SEFWNJGIVUDBQG-UHFFFAOYSA-N 1 0 296.374 2.744 50 0 CFAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000019359613 372156336 /nfs/dbraw/zinc/15/63/36/372156336.db2.gz MOFUDSRRLJQSIF-CABCVRRESA-N 1 0 262.397 2.976 50 0 CFAARO c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000019366321 372156689 /nfs/dbraw/zinc/15/66/89/372156689.db2.gz FELMQTQLBFMOHQ-KRWDZBQOSA-N 1 0 252.361 2.833 50 0 CFAARO CSc1c(CN2CC[NH+](C)CC2)c2ccccc2n1C ZINC000019367309 372158372 /nfs/dbraw/zinc/15/83/72/372158372.db2.gz GJQJRFRJRAJEGO-UHFFFAOYSA-N 1 0 289.448 2.648 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000019499944 372170507 /nfs/dbraw/zinc/17/05/07/372170507.db2.gz YRLUVLNNALIZOV-AWEZNQCLSA-N 1 0 292.423 2.620 50 0 CFAARO C[NH+]1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000019536751 372174112 /nfs/dbraw/zinc/17/41/12/372174112.db2.gz OFPWYQZKJHEURA-UHFFFAOYSA-N 1 0 259.180 2.741 50 0 CFAARO CC[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000019537012 372174519 /nfs/dbraw/zinc/17/45/19/372174519.db2.gz PHMGHASNRFVHIR-UHFFFAOYSA-N 1 0 283.213 2.587 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000017309856 372130723 /nfs/dbraw/zinc/13/07/23/372130723.db2.gz YIUAEAVYZCYURZ-UHFFFAOYSA-N 1 0 268.360 2.977 50 0 CFAARO CC[C@H](C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000019921071 372211831 /nfs/dbraw/zinc/21/18/31/372211831.db2.gz IBPDQTSWYMECSS-AWEZNQCLSA-N 1 0 266.429 2.900 50 0 CFAARO C[NH+](C)CC(C)(C)CNc1ccc(Br)cn1 ZINC000021814255 372241984 /nfs/dbraw/zinc/24/19/84/372241984.db2.gz VLBBPTOXIPLAKV-UHFFFAOYSA-N 1 0 286.217 2.844 50 0 CFAARO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000020036583 372221638 /nfs/dbraw/zinc/22/16/38/372221638.db2.gz XLUANCFZTFNPFZ-SECBINFHSA-N 1 0 285.185 2.776 50 0 CFAARO Cc1c[nH+]ccc1N1CCN(Cc2cc(C3CC3)on2)CC1 ZINC000020783454 372238737 /nfs/dbraw/zinc/23/87/37/372238737.db2.gz XPTVSLGGEQAMCX-UHFFFAOYSA-N 1 0 298.390 2.578 50 0 CFAARO C[NH+]1CCC(C)(c2nc(Cc3ccsc3)no2)CC1 ZINC000019743106 372184685 /nfs/dbraw/zinc/18/46/85/372184685.db2.gz UGRPPIMSDMTNAJ-UHFFFAOYSA-N 1 0 277.393 2.705 50 0 CFAARO CCCOc1ccc(C[NH2+]C)cc1Br ZINC000019776892 372186633 /nfs/dbraw/zinc/18/66/33/372186633.db2.gz XFHVEOYOVQNEBQ-UHFFFAOYSA-N 1 0 258.159 2.957 50 0 CFAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC000019789921 372187724 /nfs/dbraw/zinc/18/77/24/372187724.db2.gz QUJMCKIWJMBVEL-RDJZCZTQSA-N 1 0 273.424 2.778 50 0 CFAARO O[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000019799196 372189695 /nfs/dbraw/zinc/18/96/95/372189695.db2.gz FVLVBRMZBPQASS-QGZVFWFLSA-N 1 0 271.335 2.919 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000019905019 372206564 /nfs/dbraw/zinc/20/65/64/372206564.db2.gz ZQTOWVDJDFTLRP-MRVPVSSYSA-N 1 0 276.149 2.713 50 0 CFAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000025217253 372292375 /nfs/dbraw/zinc/29/23/75/372292375.db2.gz YKWPCIDHTLDGKV-KRWDZBQOSA-N 1 0 271.335 2.917 50 0 CFAARO Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)o1 ZINC000025330365 372297680 /nfs/dbraw/zinc/29/76/80/372297680.db2.gz ACURFNWGHXSFIE-CQSZACIVSA-N 1 0 292.404 2.991 50 0 CFAARO ClC1=CC[C@@H]2C[N@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000022064021 372243751 /nfs/dbraw/zinc/24/37/51/372243751.db2.gz QLOKZGCVMSPXQI-OLZOCXBDSA-N 1 0 254.805 2.547 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000022935906 372249151 /nfs/dbraw/zinc/24/91/51/372249151.db2.gz SOSKTAAFCABETK-AWEZNQCLSA-N 1 0 252.789 2.914 50 0 CFAARO Clc1ccc2c(c1)ncnc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000024659896 372279398 /nfs/dbraw/zinc/27/93/98/372279398.db2.gz GCQBYOSHPFWXSL-GFCCVEGCSA-N 1 0 288.782 2.568 50 0 CFAARO Cc1sc2ncnc(N3CC[N@@H+]4CCC[C@@H]4C3)c2c1C ZINC000024659713 372280245 /nfs/dbraw/zinc/28/02/45/372280245.db2.gz QICLGZSCGZMJBN-GFCCVEGCSA-N 1 0 288.420 2.593 50 0 CFAARO NC(=O)[C@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000026162399 372314594 /nfs/dbraw/zinc/31/45/94/372314594.db2.gz FJTPKVHSLMXAMO-OAHLLOKOSA-N 1 0 288.778 2.699 50 0 CFAARO C[NH+](C)CCCNc1nc2c(cc(F)cc2F)s1 ZINC000026424036 372319303 /nfs/dbraw/zinc/31/93/03/372319303.db2.gz NTESBHJSOHVTMJ-UHFFFAOYSA-N 1 0 271.336 2.938 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]CCCCCO)cc1 ZINC000026482922 372322063 /nfs/dbraw/zinc/32/20/63/372322063.db2.gz PMOBCPUCOIPBQL-UHFFFAOYSA-N 1 0 251.370 2.726 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1cccs1 ZINC000027675786 372347071 /nfs/dbraw/zinc/34/70/71/372347071.db2.gz CBGHWRNZZMXOAP-OLZOCXBDSA-N 1 0 278.421 2.823 50 0 CFAARO Cc1cc(CCCC(=O)N2CC[NH2+][C@@H](C)C2)c(C)s1 ZINC000237582444 189882725 /nfs/dbraw/zinc/88/27/25/189882725.db2.gz AOINABWILFHNND-NSHDSACASA-N 1 0 280.437 2.508 50 0 CFAARO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@H]1CCc2ccccc21 ZINC000029489004 372380905 /nfs/dbraw/zinc/38/09/05/372380905.db2.gz AWAANEFIVJAPKU-KRWDZBQOSA-N 1 0 280.371 2.905 50 0 CFAARO CC[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)C1CC1 ZINC000029914260 372387169 /nfs/dbraw/zinc/38/71/69/372387169.db2.gz JMJLUNBLOPMBID-UHFFFAOYSA-N 1 0 297.402 2.537 50 0 CFAARO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000030270434 372390598 /nfs/dbraw/zinc/39/05/98/372390598.db2.gz WVLJJJORUZISOV-SNVBAGLBSA-N 1 0 298.408 2.594 50 0 CFAARO Cc1ccccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030363320 372392584 /nfs/dbraw/zinc/39/25/84/372392584.db2.gz HSXIFQXBMARZHK-UHFFFAOYSA-N 1 0 294.398 2.783 50 0 CFAARO Cc1oc(C)c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000030882561 372400127 /nfs/dbraw/zinc/40/01/27/372400127.db2.gz BIXSAWYYCIRXKU-UHFFFAOYSA-N 1 0 299.374 2.562 50 0 CFAARO O=C(NCCc1[nH+]cc2ccccn21)c1cccc(Cl)c1 ZINC000031773136 372417230 /nfs/dbraw/zinc/41/72/30/372417230.db2.gz NQADBVGDEDBYEU-UHFFFAOYSA-N 1 0 299.761 2.960 50 0 CFAARO Cc1[nH]c2ccc(C(=O)N3CCC([NH+](C)C)CC3)cc2c1C ZINC000032912063 372474611 /nfs/dbraw/zinc/47/46/11/372474611.db2.gz GMHXNNQWPKOMOP-UHFFFAOYSA-N 1 0 299.418 2.951 50 0 CFAARO CC(C)Oc1ccccc1CNCCC[NH+](C)C ZINC000032105900 372427593 /nfs/dbraw/zinc/42/75/93/372427593.db2.gz HMBDTZNRXNAFCY-UHFFFAOYSA-N 1 0 250.386 2.515 50 0 CFAARO CCCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1F ZINC000032582050 372445459 /nfs/dbraw/zinc/44/54/59/372445459.db2.gz XPHCFNKAXSXPKD-JSGCOSHPSA-N 1 0 253.361 2.897 50 0 CFAARO C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCC1 ZINC000032851100 372467521 /nfs/dbraw/zinc/46/75/21/372467521.db2.gz HCCFBSMUPXURPS-UHFFFAOYSA-N 1 0 291.782 2.722 50 0 CFAARO Cc1cc(NC(=O)CC[N@@H+](C)C2CCCCCC2)no1 ZINC000032858123 372470316 /nfs/dbraw/zinc/47/03/16/372470316.db2.gz KJEOIPBCKCLLLL-UHFFFAOYSA-N 1 0 279.384 2.966 50 0 CFAARO C[NH2+]Cc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 ZINC000034816092 372514392 /nfs/dbraw/zinc/51/43/92/372514392.db2.gz RDWHGDAPTSLWFT-UHFFFAOYSA-N 1 0 284.359 2.732 50 0 CFAARO O[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000034785107 372514855 /nfs/dbraw/zinc/51/48/55/372514855.db2.gz QPKSEDWUCQTKGZ-SECBINFHSA-N 1 0 287.203 2.718 50 0 CFAARO NC(=O)c1ccc(C[NH2+]CCC2=CCCCC2)cc1 ZINC000035047775 372533292 /nfs/dbraw/zinc/53/32/92/372533292.db2.gz USJFDBRRTWZFBS-UHFFFAOYSA-N 1 0 258.365 2.766 50 0 CFAARO Brc1cccc(C[NH2+]C2CCOCC2)c1 ZINC000036319153 372571534 /nfs/dbraw/zinc/57/15/34/372571534.db2.gz WDVSMQUVABVNLP-UHFFFAOYSA-N 1 0 270.170 2.718 50 0 CFAARO COc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000037856525 372726958 /nfs/dbraw/zinc/72/69/58/372726958.db2.gz UFYJFUWXZYZBEP-OAHLLOKOSA-N 1 0 275.323 2.658 50 0 CFAARO NC(=[NH2+])c1ccc(-n2cc(Cl)cn2)cc1C(F)(F)F ZINC000038053602 372773635 /nfs/dbraw/zinc/77/36/35/372773635.db2.gz XPVJSCMBHFGCMQ-UHFFFAOYSA-N 1 0 288.660 2.829 50 0 CFAARO [NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000038808916 372775594 /nfs/dbraw/zinc/77/55/94/372775594.db2.gz FNLFYBHUAIQAHA-LBPRGKRZSA-N 1 0 258.287 2.801 50 0 CFAARO Cc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)o1 ZINC000039404910 372778337 /nfs/dbraw/zinc/77/83/37/372778337.db2.gz HSKPZJONQZQRCA-OAHLLOKOSA-N 1 0 294.439 2.503 50 0 CFAARO CC1(C)C[C@H](C[N@@H+]2CC[C@](O)(c3ccccc3)C2)CCO1 ZINC000039490372 372780137 /nfs/dbraw/zinc/78/01/37/372780137.db2.gz YXUVAYFFOOZIPC-CRAIPNDOSA-N 1 0 289.419 2.785 50 0 CFAARO Cc1cc(NC(=O)C(C)(C)C)ccc1N1CC[NH+](C)CC1 ZINC000040476150 372781559 /nfs/dbraw/zinc/78/15/59/372781559.db2.gz OLORHOZOKXNFHC-UHFFFAOYSA-N 1 0 289.423 2.731 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731057 372784283 /nfs/dbraw/zinc/78/42/83/372784283.db2.gz UDIKASCKNYYOML-GFCCVEGCSA-N 1 0 271.788 2.988 50 0 CFAARO Clc1nccc(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000040478742 372785371 /nfs/dbraw/zinc/78/53/71/372785371.db2.gz AZHQXSQLWIBABY-UHFFFAOYSA-N 1 0 280.803 2.585 50 0 CFAARO O=C(Nc1ccc(Sc2ccncc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000237991687 189896768 /nfs/dbraw/zinc/89/67/68/189896768.db2.gz PHSDJRAPCSYTII-HNNXBMFYSA-N 1 0 299.399 2.923 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)NC1CC1)c1ccsc1 ZINC000042310085 372904411 /nfs/dbraw/zinc/90/44/11/372904411.db2.gz IOUMDYFZHDRDDS-CYBMUJFWSA-N 1 0 281.425 2.593 50 0 CFAARO C[C@H](CNC(=O)c1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000042504660 372927917 /nfs/dbraw/zinc/92/79/17/372927917.db2.gz JWTXSGVZYOHXQJ-SNVBAGLBSA-N 1 0 284.762 2.693 50 0 CFAARO CCCNC(=O)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000042685638 372945532 /nfs/dbraw/zinc/94/55/32/372945532.db2.gz LYXPDHOFWMCHAN-UHFFFAOYSA-N 1 0 278.371 2.564 50 0 CFAARO CC(C)c1ccc(OC2C[NH2+]C2)c(Br)c1 ZINC000042769573 372954641 /nfs/dbraw/zinc/95/46/41/372954641.db2.gz SNFFKCILYHFUHJ-UHFFFAOYSA-N 1 0 270.170 2.923 50 0 CFAARO CCCc1cc(Br)ccc1OC1C[NH2+]C1 ZINC000042769543 372954667 /nfs/dbraw/zinc/95/46/67/372954667.db2.gz CQHOHLMPLDHATH-UHFFFAOYSA-N 1 0 270.170 2.752 50 0 CFAARO Cc1cc(NCCC[NH+](C)C)ncc1Br ZINC000042784002 372956196 /nfs/dbraw/zinc/95/61/96/372956196.db2.gz PUELRNINMOAVOP-UHFFFAOYSA-N 1 0 272.190 2.516 50 0 CFAARO CC(C)Oc1ccccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044686165 373008142 /nfs/dbraw/zinc/00/81/42/373008142.db2.gz KVEWFDNFYPNWQL-HNNXBMFYSA-N 1 0 274.408 2.800 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000044541991 373008287 /nfs/dbraw/zinc/00/82/87/373008287.db2.gz FLPJUYWCZOUABH-VIFPVBQESA-N 1 0 287.190 2.947 50 0 CFAARO C[C@@H]1CCC[N@H+](CCNC(=O)CCc2ccsc2)C1 ZINC000046878467 373064158 /nfs/dbraw/zinc/06/41/58/373064158.db2.gz IGWUJRPJLJDDKZ-CYBMUJFWSA-N 1 0 280.437 2.529 50 0 CFAARO C[C@H]1CCC[N@H+](CCNC(=O)c2c(F)cccc2Cl)C1 ZINC000046861281 373065368 /nfs/dbraw/zinc/06/53/68/373065368.db2.gz CRCGKLCUAMUVEH-NSHDSACASA-N 1 0 298.789 2.941 50 0 CFAARO CCCCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000047577939 373103886 /nfs/dbraw/zinc/10/38/86/373103886.db2.gz WZFKBAYWUDUWRS-HNNXBMFYSA-N 1 0 295.402 2.918 50 0 CFAARO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000046956793 373073167 /nfs/dbraw/zinc/07/31/67/373073167.db2.gz PQUZBAFQFIGFDQ-LLVKDONJSA-N 1 0 281.787 2.803 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048309716 373160587 /nfs/dbraw/zinc/16/05/87/373160587.db2.gz YUMWFVUJBZOESC-LBPRGKRZSA-N 1 0 277.393 2.521 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccsc1 ZINC000048309411 373160967 /nfs/dbraw/zinc/16/09/67/373160967.db2.gz PFJJJQSEIDDEDT-JSGCOSHPSA-N 1 0 278.421 2.823 50 0 CFAARO [NH3+]CCCCCC(=O)OCc1ccccc1Cl ZINC000048634996 373208967 /nfs/dbraw/zinc/20/89/67/373208967.db2.gz ZRALVEIJDKBADP-UHFFFAOYSA-N 1 0 255.745 2.902 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccco1)c1cccs1 ZINC000049488263 373304498 /nfs/dbraw/zinc/30/44/98/373304498.db2.gz APHOGGVXWRDQRQ-GWJCSSMESA-N 1 0 290.388 2.773 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(C[NH3+])cc2)C1 ZINC000049581925 373312258 /nfs/dbraw/zinc/31/22/58/373312258.db2.gz KEPYUGLRWGHYEC-CQSZACIVSA-N 1 0 276.380 2.870 50 0 CFAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000050025427 373339480 /nfs/dbraw/zinc/33/94/80/373339480.db2.gz BCISUUWLZAPBNW-INIZCTEOSA-N 1 0 295.386 2.993 50 0 CFAARO OCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000052453292 373444905 /nfs/dbraw/zinc/44/49/05/373444905.db2.gz PWNYNYKJGXTXOS-ZDUSSCGKSA-N 1 0 284.197 2.968 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000053202477 373468964 /nfs/dbraw/zinc/46/89/64/373468964.db2.gz FXFQZXQZGUQJJN-GFCCVEGCSA-N 1 0 287.190 2.817 50 0 CFAARO [NH3+]CCCn1ccc2ccc(Br)cc21 ZINC000053537242 373482197 /nfs/dbraw/zinc/48/21/97/373482197.db2.gz UFKULFCVJQKOFM-UHFFFAOYSA-N 1 0 253.143 2.753 50 0 CFAARO Cc1noc(C)c1C[NH+]1CCC(OCC(C)C)CC1 ZINC000054322971 373517309 /nfs/dbraw/zinc/51/73/09/373517309.db2.gz SUYTXOUJPDYHDM-UHFFFAOYSA-N 1 0 266.385 2.928 50 0 CFAARO Cn1nc(C[NH2+]CCc2ccccc2)c(-c2ccccc2)n1 ZINC000057353205 373590205 /nfs/dbraw/zinc/59/02/05/373590205.db2.gz PBLPOEKRMKLKHR-UHFFFAOYSA-N 1 0 292.386 2.814 50 0 CFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC=CCC2)CC1 ZINC000057488122 373593982 /nfs/dbraw/zinc/59/39/82/373593982.db2.gz BDDGXGMNDFFVKV-HNNXBMFYSA-N 1 0 299.418 2.733 50 0 CFAARO CC[NH+]1CCN(Cc2nc3ccccc3n2C(F)F)CC1 ZINC000055102072 373538532 /nfs/dbraw/zinc/53/85/32/373538532.db2.gz OHAFPGWMBHNHTO-UHFFFAOYSA-N 1 0 294.349 2.569 50 0 CFAARO CC[NH+]1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 ZINC000055079212 373539748 /nfs/dbraw/zinc/53/97/48/373539748.db2.gz HKTQGWKDDHPICM-VOTSOKGWSA-N 1 0 278.783 2.517 50 0 CFAARO CSc1nnc(CC2CC[NH+](CC(C)(C)C)CC2)n1C ZINC000055242635 373546663 /nfs/dbraw/zinc/54/66/63/373546663.db2.gz YGADIYHRUMRLDP-UHFFFAOYSA-N 1 0 296.484 2.838 50 0 CFAARO CCC[C@H](C)C[NH+]1CCC(Cn2cc(COC)nn2)CC1 ZINC000055283809 373547736 /nfs/dbraw/zinc/54/77/36/373547736.db2.gz OUUUUYXSZCCELX-AWEZNQCLSA-N 1 0 294.443 2.573 50 0 CFAARO CCC[N@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000055343317 373549162 /nfs/dbraw/zinc/54/91/62/373549162.db2.gz JNLZBEOACPNPRC-UHFFFAOYSA-N 1 0 258.369 2.580 50 0 CFAARO Cn1c(SCC[NH+](C)C)nnc1-c1ccc(Cl)cc1 ZINC000057516718 373596187 /nfs/dbraw/zinc/59/61/87/373596187.db2.gz NCBDBUBYTJICGD-UHFFFAOYSA-N 1 0 296.827 2.789 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(Cl)s1 ZINC000058298927 373642884 /nfs/dbraw/zinc/64/28/84/373642884.db2.gz HCZQHDLXEBIYHX-NXEZZACHSA-N 1 0 296.827 2.991 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000058358049 373650613 /nfs/dbraw/zinc/65/06/13/373650613.db2.gz GZTWDANWFZEIFW-CYBMUJFWSA-N 1 0 260.381 2.620 50 0 CFAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000058390807 373652745 /nfs/dbraw/zinc/65/27/45/373652745.db2.gz SWXQSJBSIVRICS-CXAGYDPISA-N 1 0 286.419 2.911 50 0 CFAARO COc1c(C[NH2+][C@@H]2CCc3cc(F)ccc32)c(C)nn1C ZINC000058405191 373654733 /nfs/dbraw/zinc/65/47/33/373654733.db2.gz DLXPJJOBQNSWJN-OAHLLOKOSA-N 1 0 289.354 2.653 50 0 CFAARO CCOCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000057621095 373604894 /nfs/dbraw/zinc/60/48/94/373604894.db2.gz YJCVDRMYWSMIKJ-HNNXBMFYSA-N 1 0 279.380 2.877 50 0 CFAARO [NH3+][C@H](c1nccn1Cc1ccccc1)c1ccccc1 ZINC000057788924 373612190 /nfs/dbraw/zinc/61/21/90/373612190.db2.gz BCKAIJDIAFBJCN-INIZCTEOSA-N 1 0 263.344 2.980 50 0 CFAARO [NH3+]C[C@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000061611044 373720198 /nfs/dbraw/zinc/72/01/98/373720198.db2.gz ZSWZRCGGLHYUQX-HNNXBMFYSA-N 1 0 260.381 2.522 50 0 CFAARO CCOCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000061079318 373711916 /nfs/dbraw/zinc/71/19/16/373711916.db2.gz IQVRPLLMICRRPU-UHFFFAOYSA-N 1 0 297.345 2.896 50 0 CFAARO CN(Cc1ccoc1)C(=O)CC[NH+]1CCCCCCC1 ZINC000063868908 373817034 /nfs/dbraw/zinc/81/70/34/373817034.db2.gz JZHPMXLZZKHBJP-UHFFFAOYSA-N 1 0 278.396 2.894 50 0 CFAARO C/C(=C\c1ccco1)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000065497384 373880032 /nfs/dbraw/zinc/88/00/32/373880032.db2.gz CXYFNXJLFCCEQT-GOFCXVBSSA-N 1 0 260.381 2.853 50 0 CFAARO CCCc1cnc(N2CC[NH+](C(CC)CC)CC2)nc1 ZINC000065528585 373881700 /nfs/dbraw/zinc/88/17/00/373881700.db2.gz OIKKDJHTFOBPMS-UHFFFAOYSA-N 1 0 276.428 2.740 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000065541183 373885386 /nfs/dbraw/zinc/88/53/86/373885386.db2.gz UZBYHYUNHZQZFA-QGZVFWFLSA-N 1 0 297.402 2.644 50 0 CFAARO Fc1ccc(F)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000065564126 373887408 /nfs/dbraw/zinc/88/74/08/373887408.db2.gz UKHDZFLSTJLHBB-CQSZACIVSA-N 1 0 266.335 2.635 50 0 CFAARO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000065287724 373853293 /nfs/dbraw/zinc/85/32/93/373853293.db2.gz DIVBHLINCKLBFO-MRXNPFEDSA-N 1 0 284.407 2.986 50 0 CFAARO CC(C)Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)cc1 ZINC000065395583 373863895 /nfs/dbraw/zinc/86/38/95/373863895.db2.gz MFWJLFOQSHKTKQ-SJORKVTESA-N 1 0 286.419 2.738 50 0 CFAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065407434 373868071 /nfs/dbraw/zinc/86/80/71/373868071.db2.gz VUEDGOHIRMZSID-MRXNPFEDSA-N 1 0 260.381 2.567 50 0 CFAARO c1cn(C[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000065408276 373868204 /nfs/dbraw/zinc/86/82/04/373868204.db2.gz ZPDXLVSVDBHUHT-KRWDZBQOSA-N 1 0 269.392 2.838 50 0 CFAARO C[C@@H]([NH2+]C1CCCC1)c1nc(-c2ccncc2)no1 ZINC000065435498 373872917 /nfs/dbraw/zinc/87/29/17/373872917.db2.gz PLEOFQXLEMKBGW-SNVBAGLBSA-N 1 0 258.325 2.725 50 0 CFAARO CC(C)(C)OC(=O)N1CC[NH2+]CC[C@H]1c1ccccc1 ZINC000066054980 373909176 /nfs/dbraw/zinc/90/91/76/373909176.db2.gz QRWXTRAEXJUHPC-AWEZNQCLSA-N 1 0 276.380 2.958 50 0 CFAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1sccc1C ZINC000066137740 373913862 /nfs/dbraw/zinc/91/38/62/373913862.db2.gz BOQLLPAEKDRJSX-LLVKDONJSA-N 1 0 254.399 2.517 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNc1cc(C(C)C)nc(C)n1 ZINC000067754637 373998840 /nfs/dbraw/zinc/99/88/40/373998840.db2.gz GZPLUOMTGHNIJB-ZDUSSCGKSA-N 1 0 262.401 2.805 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNc1cc(C(C)C)nc(C)n1 ZINC000067754635 373999254 /nfs/dbraw/zinc/99/92/54/373999254.db2.gz GZPLUOMTGHNIJB-CYBMUJFWSA-N 1 0 262.401 2.805 50 0 CFAARO Cc1c2cc(F)ccc2[nH]c1CN1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000067818179 374006447 /nfs/dbraw/zinc/00/64/47/374006447.db2.gz XQMUFOFGYVYXLH-KGLIPLIRSA-N 1 0 287.382 2.942 50 0 CFAARO CCc1cccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000067854832 374009589 /nfs/dbraw/zinc/00/95/89/374009589.db2.gz IOOXOIXYXWOZAP-QGZVFWFLSA-N 1 0 287.407 2.856 50 0 CFAARO CCc1ccc(-c2nccn2C[C@H]2CCCC[N@@H+]2C)nc1 ZINC000067881383 374012190 /nfs/dbraw/zinc/01/21/90/374012190.db2.gz KOWJZYLKMWSTSQ-OAHLLOKOSA-N 1 0 284.407 2.992 50 0 CFAARO CN(C(=O)/C=C/c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000068192472 374023846 /nfs/dbraw/zinc/02/38/46/374023846.db2.gz JQORNMBNVATKCX-VMPITWQZSA-N 1 0 292.810 2.906 50 0 CFAARO CSC[C@H](C)[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000067909046 374014976 /nfs/dbraw/zinc/01/49/76/374014976.db2.gz DIXQPSYLPCASQT-JTQLQIEISA-N 1 0 281.400 2.976 50 0 CFAARO Cc1ccc(-c2cc(O)c3c(c2)C[NH2+]CCO3)s1 ZINC000067920696 374016107 /nfs/dbraw/zinc/01/61/07/374016107.db2.gz ZQNSYFCTWIVFHY-UHFFFAOYSA-N 1 0 261.346 2.911 50 0 CFAARO CCOCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000067231168 373973407 /nfs/dbraw/zinc/97/34/07/373973407.db2.gz LSJYDGDEDWGJMD-CQSZACIVSA-N 1 0 277.364 2.631 50 0 CFAARO CC[N@@H+]1CCC[C@H](CCNC(=O)c2ncoc2C(C)C)C1 ZINC000067491225 373980960 /nfs/dbraw/zinc/98/09/60/373980960.db2.gz LZGQOKNYVQVKGX-CYBMUJFWSA-N 1 0 293.411 2.650 50 0 CFAARO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067472755 373981792 /nfs/dbraw/zinc/98/17/92/373981792.db2.gz OOZNGGDRTZEAMH-AWEZNQCLSA-N 1 0 299.418 2.856 50 0 CFAARO Cc1ccc(C)c(-c2n[nH]cc2[C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000067675982 373991754 /nfs/dbraw/zinc/99/17/54/373991754.db2.gz SQNRFAFMFVOBOI-MRXNPFEDSA-N 1 0 293.374 2.652 50 0 CFAARO Cc1nc([C@H]2C=CC[NH2+]2)n(-c2ccc(Cl)cc2C)n1 ZINC000067676040 373992058 /nfs/dbraw/zinc/99/20/58/373992058.db2.gz GETSAYXWDGMBJP-GFCCVEGCSA-N 1 0 274.755 2.738 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000069616505 374078323 /nfs/dbraw/zinc/07/83/23/374078323.db2.gz QWYOTPGLUBJPNG-GJZGRUSLSA-N 1 0 264.413 2.652 50 0 CFAARO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@@H]3c3ccc[nH]3)cc12 ZINC000069161149 374050622 /nfs/dbraw/zinc/05/06/22/374050622.db2.gz WOXGLHGXYMTJSU-MRXNPFEDSA-N 1 0 295.390 2.942 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)c(OC)c1 ZINC000069415636 374059120 /nfs/dbraw/zinc/05/91/20/374059120.db2.gz UEPVTHHAMLXYAE-STQMWFEESA-N 1 0 289.379 2.640 50 0 CFAARO COc1cccc(-c2noc(C[N@H+](C)[C@H](C)C3CC3)n2)c1 ZINC000069415197 374059802 /nfs/dbraw/zinc/05/98/02/374059802.db2.gz RWNMHLDGHNNVTE-LLVKDONJSA-N 1 0 287.363 2.976 50 0 CFAARO CC[N@H+](CCC(=O)Nc1ccccc1F)C1CC1 ZINC000069451258 374063915 /nfs/dbraw/zinc/06/39/15/374063915.db2.gz WWPWORLLVVGDMP-UHFFFAOYSA-N 1 0 250.317 2.639 50 0 CFAARO C[NH+](C)CCn1ccc2cc(NC(=O)c3ccc[nH]3)ccc21 ZINC000069458370 374065931 /nfs/dbraw/zinc/06/59/31/374065931.db2.gz UGKAUDSYMOYERC-UHFFFAOYSA-N 1 0 296.374 2.783 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069491691 374068700 /nfs/dbraw/zinc/06/87/00/374068700.db2.gz BTNVJXOYUPKCPZ-CABCVRRESA-N 1 0 276.355 2.525 50 0 CFAARO c1csc(C[N@@H+]2CCCN(Cc3ccccn3)CC2)c1 ZINC000069510635 374070668 /nfs/dbraw/zinc/07/06/68/374070668.db2.gz ATSVUBQKUJJUSL-UHFFFAOYSA-N 1 0 287.432 2.851 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000069518035 374070875 /nfs/dbraw/zinc/07/08/75/374070875.db2.gz ABJHTZWHILESBO-IRXDYDNUSA-N 1 0 286.419 2.704 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000069922051 374109486 /nfs/dbraw/zinc/10/94/86/374109486.db2.gz XMTXBSCSRYHILS-CABCVRRESA-N 1 0 294.345 2.664 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000069951057 374111208 /nfs/dbraw/zinc/11/12/08/374111208.db2.gz VUJNITCHSFCSGP-CABCVRRESA-N 1 0 292.448 2.766 50 0 CFAARO CC(C)OCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000069973388 374114348 /nfs/dbraw/zinc/11/43/48/374114348.db2.gz NZEJFUMDGJWQQU-UHFFFAOYSA-N 1 0 281.371 2.846 50 0 CFAARO Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cn1 ZINC000069974964 374114925 /nfs/dbraw/zinc/11/49/25/374114925.db2.gz ZHNLRZDTCMLABE-MRXNPFEDSA-N 1 0 289.423 2.517 50 0 CFAARO CC(C)(C)[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccs1 ZINC000070012372 374117735 /nfs/dbraw/zinc/11/77/35/374117735.db2.gz QHXZBOXQIJTDOY-OCCSQVGLSA-N 1 0 293.436 2.683 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000069818301 374101964 /nfs/dbraw/zinc/10/19/64/374101964.db2.gz SUTGPXWJDWWWHH-ZIAGYGMSSA-N 1 0 289.427 2.882 50 0 CFAARO Cc1ccc(NC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000070187928 374143813 /nfs/dbraw/zinc/14/38/13/374143813.db2.gz IBQVWGANPVURNW-UHFFFAOYSA-N 1 0 261.369 2.588 50 0 CFAARO CC[C@@H](COC)[NH2+]Cc1ccccc1Br ZINC000070656696 374201009 /nfs/dbraw/zinc/20/10/09/374201009.db2.gz QADLOMJBZMETPW-NSHDSACASA-N 1 0 272.186 2.964 50 0 CFAARO Nc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071763366 374222138 /nfs/dbraw/zinc/22/21/38/374222138.db2.gz PWLOECIQGHVFQL-AWEZNQCLSA-N 1 0 298.390 2.506 50 0 CFAARO C[C@H]1CCC[N@H+](Cn2nccc2-c2cccnc2)C1 ZINC000071792383 374225068 /nfs/dbraw/zinc/22/50/68/374225068.db2.gz FIYIDQPTORBSOZ-ZDUSSCGKSA-N 1 0 256.353 2.635 50 0 CFAARO Clc1cncc(N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000071886581 374230300 /nfs/dbraw/zinc/23/03/00/374230300.db2.gz OXOQYTABWJVEND-LBPRGKRZSA-N 1 0 280.803 2.585 50 0 CFAARO c1ccc2cc(N3CC[NH+](C[C@@H]4CCOC4)CC3)ccc2c1 ZINC000072133071 374233626 /nfs/dbraw/zinc/23/36/26/374233626.db2.gz GXYRFYALNJUWED-INIZCTEOSA-N 1 0 296.414 2.998 50 0 CFAARO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC000072268706 374237344 /nfs/dbraw/zinc/23/73/44/374237344.db2.gz DZVJMNFDOUSEJV-LSDHHAIUSA-N 1 0 264.413 2.818 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2nc3ccccc3nc2C)c1 ZINC000072267519 374238349 /nfs/dbraw/zinc/23/83/49/374238349.db2.gz LYXLMWPJDSDGTH-CYBMUJFWSA-N 1 0 295.390 2.621 50 0 CFAARO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000072309046 374243007 /nfs/dbraw/zinc/24/30/07/374243007.db2.gz JWQWHEMSPVGTCR-ISBHARSQSA-N 1 0 289.375 2.951 50 0 CFAARO c1cc2nc(-c3ccccc3)cc(NC[C@@H]3CCC[NH2+]3)n2n1 ZINC000072418688 374249472 /nfs/dbraw/zinc/24/94/72/374249472.db2.gz RXDXCXJOCJSEMS-AWEZNQCLSA-N 1 0 293.374 2.560 50 0 CFAARO COCC(C)(C)C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000491457130 246071317 /nfs/dbraw/zinc/07/13/17/246071317.db2.gz IBXBFWAZMHHYTN-CQSZACIVSA-N 1 0 262.397 2.528 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]CCn1cc(C)cn1 ZINC000075132811 374459943 /nfs/dbraw/zinc/45/99/43/374459943.db2.gz DXTBZZWMIXXVAH-UVTDQMKNSA-N 1 0 255.365 2.885 50 0 CFAARO CC[NH+](CC)CC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000075560940 374492218 /nfs/dbraw/zinc/49/22/18/374492218.db2.gz ZNCPONYEEJCMLG-KGLIPLIRSA-N 1 0 278.396 2.921 50 0 CFAARO CC1(C)CC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000076012495 374520149 /nfs/dbraw/zinc/52/01/49/374520149.db2.gz CSJQPNRKFMRGSW-CQSZACIVSA-N 1 0 274.364 2.744 50 0 CFAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccco2)C1 ZINC000076068837 374528726 /nfs/dbraw/zinc/52/87/26/374528726.db2.gz DSYZUKPBTYFZLS-JSGCOSHPSA-N 1 0 296.436 2.502 50 0 CFAARO CN(CC(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110105 374532363 /nfs/dbraw/zinc/53/23/63/374532363.db2.gz JAZKMCCPRNHFRS-CQSZACIVSA-N 1 0 268.351 2.705 50 0 CFAARO CC(=O)N1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000077010607 374560156 /nfs/dbraw/zinc/56/01/56/374560156.db2.gz PZZQPPHANAOXBS-FGTMMUONSA-N 1 0 286.419 2.751 50 0 CFAARO c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@@H]43)cc2)cn1 ZINC000079354374 374606226 /nfs/dbraw/zinc/60/62/26/374606226.db2.gz NZJMBOSCGSHZHF-DLBZAZTESA-N 1 0 283.375 2.626 50 0 CFAARO C[N@@H+]1CCCN(c2ccc3ccc(F)cc3n2)CC1 ZINC000083877990 374759076 /nfs/dbraw/zinc/75/90/76/374759076.db2.gz IOFRRRXLBUGEBO-UHFFFAOYSA-N 1 0 259.328 2.516 50 0 CFAARO Cc1ccc(Cn2c[n+](Cc3cccc(C)c3)cn2)cc1 ZINC000252485287 189976104 /nfs/dbraw/zinc/97/61/04/189976104.db2.gz GQEOAQKYCOXCQT-UHFFFAOYSA-N 1 0 278.379 2.884 50 0 CFAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@H](c2cc(=O)[nH]cn2)C1 ZINC000082039580 374724267 /nfs/dbraw/zinc/72/42/67/374724267.db2.gz HEDFQICLJAGZFW-CZAWJFPGSA-N 1 0 299.374 2.646 50 0 CFAARO CCC[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1[NH+](C)C ZINC000082107864 374726167 /nfs/dbraw/zinc/72/61/67/374726167.db2.gz RDWFOYXVECDFGO-CZUORRHYSA-N 1 0 284.407 2.796 50 0 CFAARO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCN(C)CC1 ZINC000089657419 374934726 /nfs/dbraw/zinc/93/47/26/374934726.db2.gz CBUNHMTYCXFTJE-INIZCTEOSA-N 1 0 274.408 2.893 50 0 CFAARO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000089893067 374965187 /nfs/dbraw/zinc/96/51/87/374965187.db2.gz QNTPKGBPNCLZIX-AWEZNQCLSA-N 1 0 292.379 2.600 50 0 CFAARO CN(C)c1cccc(C[N@H+](C)CCc2ccccn2)c1 ZINC000089922774 374968432 /nfs/dbraw/zinc/96/84/32/374968432.db2.gz SFALJZMMBXPHFW-UHFFFAOYSA-N 1 0 269.392 2.822 50 0 CFAARO CCC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c3ccccc23)C1 ZINC000089941618 374974790 /nfs/dbraw/zinc/97/47/90/374974790.db2.gz KIARCBKAICFFLH-CYBMUJFWSA-N 1 0 283.375 2.966 50 0 CFAARO O=C1C[C@@H]([NH2+][C@H]2CCSc3ccccc32)CN1C1CC1 ZINC000090180758 374998479 /nfs/dbraw/zinc/99/84/79/374998479.db2.gz NWUNADGWSZURSJ-RISCZKNCSA-N 1 0 288.416 2.576 50 0 CFAARO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000090221005 375006084 /nfs/dbraw/zinc/00/60/84/375006084.db2.gz LDDKOWJYECPVER-VLIAUNLRSA-N 1 0 295.448 2.860 50 0 CFAARO c1ccc(C[C@H]2COCc3ccccc3C[NH2+]2)cc1 ZINC000090394337 375010575 /nfs/dbraw/zinc/01/05/75/375010575.db2.gz 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/nfs/dbraw/zinc/30/71/07/375307107.db2.gz RGZMTMBYMZXYSP-ZDUSSCGKSA-N 1 0 261.394 2.890 50 0 CFAARO Cc1cccc(CN(C(=O)c2ccc(C[NH3+])o2)C2CC2)c1 ZINC000094568152 375367284 /nfs/dbraw/zinc/36/72/84/375367284.db2.gz XDPFJSFMVPLHRZ-UHFFFAOYSA-N 1 0 284.359 2.852 50 0 CFAARO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2C)CCO1 ZINC000095465777 375458280 /nfs/dbraw/zinc/45/82/80/375458280.db2.gz LEFDNDKZSCZHMX-CABCVRRESA-N 1 0 265.401 2.792 50 0 CFAARO c1ccc(-c2nnc(SC[C@@H]3CCC[NH2+]3)o2)cc1 ZINC000095908616 375463473 /nfs/dbraw/zinc/46/34/73/375463473.db2.gz BGPCEHFTFQFKOQ-NSHDSACASA-N 1 0 261.350 2.581 50 0 CFAARO Cc1cnccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095988148 375464300 /nfs/dbraw/zinc/46/43/00/375464300.db2.gz IWCLPZAQHOGIPC-BBWFWOEESA-N 1 0 286.419 2.870 50 0 CFAARO C[N@H+](CCc1ccncc1)C[C@H](O)c1cccc(Cl)c1 ZINC000095999376 375466003 /nfs/dbraw/zinc/46/60/03/375466003.db2.gz DVUIINPRDRHQSD-INIZCTEOSA-N 1 0 290.794 2.943 50 0 CFAARO Cc1cccnc1[C@H](C)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000095365370 375421594 /nfs/dbraw/zinc/42/15/94/375421594.db2.gz YPFMHWZFJJWPNO-NSHDSACASA-N 1 0 283.379 2.814 50 0 CFAARO Cc1cnc(NC[C@@H](c2cccnc2)[NH+]2CCCCC2)nc1 ZINC000095368754 375423857 /nfs/dbraw/zinc/42/38/57/375423857.db2.gz ZKWHZFHNXWYCJK-INIZCTEOSA-N 1 0 297.406 2.819 50 0 CFAARO CCCc1nnc(N2CCC(C3CC[NH+](C)CC3)CC2)o1 ZINC000095379994 375425499 /nfs/dbraw/zinc/42/54/99/375425499.db2.gz YYPXQFWSYZCQQO-UHFFFAOYSA-N 1 0 292.427 2.580 50 0 CFAARO CC(C)c1ccnc(NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000095376287 375425584 /nfs/dbraw/zinc/42/55/84/375425584.db2.gz PVGAVYGMFVZBPH-ZDUSSCGKSA-N 1 0 274.368 2.908 50 0 CFAARO Cc1cc(C)c2c(ncnc2NCC[C@@H]2CCC[N@H+]2C)n1 ZINC000095379780 375425818 /nfs/dbraw/zinc/42/58/18/375425818.db2.gz UPMSNBCUNVKBGC-ZDUSSCGKSA-N 1 0 285.395 2.538 50 0 CFAARO C[C@H](Oc1ccc(-c2ccccc2C[NH+](C)C)cc1)C(N)=O ZINC000096138011 375470430 /nfs/dbraw/zinc/47/04/30/375470430.db2.gz UULZXCSGKPIDTQ-ZDUSSCGKSA-N 1 0 298.386 2.668 50 0 CFAARO CSCCCNC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095387968 375428143 /nfs/dbraw/zinc/42/81/43/375428143.db2.gz RIPGJBCMHBJFKW-HNNXBMFYSA-N 1 0 292.448 2.637 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCn1cccc(C(F)(F)F)c1=O ZINC000095391047 375428328 /nfs/dbraw/zinc/42/83/28/375428328.db2.gz BCVVSVMFBCZTSE-NSHDSACASA-N 1 0 288.313 2.742 50 0 CFAARO OCCC[N@H+](C[C@@H]1CCOC1)[C@H]1CCCc2ccccc21 ZINC000095408339 375434299 /nfs/dbraw/zinc/43/42/99/375434299.db2.gz DUTBPJDIUZHNRQ-YJBOKZPZSA-N 1 0 289.419 2.785 50 0 CFAARO OC[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000095410520 375434460 /nfs/dbraw/zinc/43/44/60/375434460.db2.gz MACTVPTUGKRJCI-SJLPKXTDSA-N 1 0 299.418 2.903 50 0 CFAARO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000095421619 375441381 /nfs/dbraw/zinc/44/13/81/375441381.db2.gz UXTOEIXKOOMSFG-JSGCOSHPSA-N 1 0 292.379 2.577 50 0 CFAARO C/C(=C/C(=O)N1CC[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000255583811 189996823 /nfs/dbraw/zinc/99/68/23/189996823.db2.gz SFMNKXXIJXRKDL-RDQDRAATSA-N 1 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/nfs/dbraw/zinc/45/12/79/375451279.db2.gz QBMGRLKZNANFFQ-GTNSWQLSSA-N 1 0 273.829 2.813 50 0 CFAARO Cc1nn(C)c(C)c1C[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000095448920 375453649 /nfs/dbraw/zinc/45/36/49/375453649.db2.gz FITZRJRLSHTALU-YGRLFVJLSA-N 1 0 293.436 2.700 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000097159209 375532187 /nfs/dbraw/zinc/53/21/87/375532187.db2.gz WZFNHZOKTJFZCV-OAHLLOKOSA-N 1 0 288.395 2.628 50 0 CFAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C[C@@H]1CCOC1 ZINC000097160030 375533186 /nfs/dbraw/zinc/53/31/86/375533186.db2.gz QBMNTYWGWSQSOL-LBPRGKRZSA-N 1 0 297.358 2.949 50 0 CFAARO Cc1cc(C)n(CCC[NH2+]Cc2c[nH]nc2C(C)(C)C)n1 ZINC000097159539 375533793 /nfs/dbraw/zinc/53/37/93/375533793.db2.gz YBIWGAXLGGQGQF-UHFFFAOYSA-N 1 0 289.427 2.700 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000097159643 375534223 /nfs/dbraw/zinc/53/42/23/375534223.db2.gz QBBCNHORQHINTH-IAQYHMDHSA-N 1 0 265.401 2.711 50 0 CFAARO Cc1ccccc1-n1cnnc1SC[C@@H]1CC[N@@H+](C)C1 ZINC000097165084 375535094 /nfs/dbraw/zinc/53/50/94/375535094.db2.gz LSZSPPOEFJNPDT-CYBMUJFWSA-N 1 0 288.420 2.620 50 0 CFAARO CN1CC[C@@H](C[NH2+][C@@H]2CCSC2)c2ccccc21 ZINC000096494653 375489615 /nfs/dbraw/zinc/48/96/15/375489615.db2.gz MANVLYJMQPELGV-QWHCGFSZSA-N 1 0 262.422 2.705 50 0 CFAARO COc1ccc([C@@H](C)[NH2+][C@@]2(C)CCOC2)c(F)c1 ZINC000097038529 375498316 /nfs/dbraw/zinc/49/83/16/375498316.db2.gz NBZMJZXIQDGPRB-YGRLFVJLSA-N 1 0 253.317 2.664 50 0 CFAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1ccncc1 ZINC000097234987 375543415 /nfs/dbraw/zinc/54/34/15/375543415.db2.gz USGKEDCJPLCDHO-KBPBESRZSA-N 1 0 283.375 2.802 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)no1 ZINC000097048969 375502399 /nfs/dbraw/zinc/50/23/99/375502399.db2.gz GNDKAQYCCIUCNK-OLZOCXBDSA-N 1 0 287.363 2.703 50 0 CFAARO Cn1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000097082146 375508411 /nfs/dbraw/zinc/50/84/11/375508411.db2.gz GMZNYPJBRUTMIJ-RYQLBKOJSA-N 1 0 296.418 2.743 50 0 CFAARO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)s1 ZINC000097085145 375511509 /nfs/dbraw/zinc/51/15/09/375511509.db2.gz ZCCSUARAKYBKNJ-GXFFZTMASA-N 1 0 280.368 2.975 50 0 CFAARO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCSC2)cc1 ZINC000097084506 375511947 /nfs/dbraw/zinc/51/19/47/375511947.db2.gz MOLSACMZDBVFAT-ZDUSSCGKSA-N 1 0 294.420 2.509 50 0 CFAARO Cc1ccsc1CN1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000097088338 375513847 /nfs/dbraw/zinc/51/38/47/375513847.db2.gz FKPWRBDKLQMGEG-HNNXBMFYSA-N 1 0 294.464 2.743 50 0 CFAARO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000097108868 375521099 /nfs/dbraw/zinc/52/10/99/375521099.db2.gz AVXKNTJCPSUGIS-YPMHNXCESA-N 1 0 289.404 2.862 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCC(=O)NCc2cccnc2)[C@H](C)C1 ZINC000097108743 375521763 /nfs/dbraw/zinc/52/17/63/375521763.db2.gz SUFFHPQTUQEWLS-FMKPAKJESA-N 1 0 289.423 2.502 50 0 CFAARO c1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cs1 ZINC000097108576 375521861 /nfs/dbraw/zinc/52/18/61/375521861.db2.gz DIBIMWWEPPAXAC-CQSZACIVSA-N 1 0 281.421 2.766 50 0 CFAARO CC(=O)Nc1ccccc1C[N@H+](C)CCc1ccccn1 ZINC000097113727 375524418 /nfs/dbraw/zinc/52/44/18/375524418.db2.gz GESBRXFHCZYQQX-UHFFFAOYSA-N 1 0 283.375 2.715 50 0 CFAARO C[N@H+](Cc1ccncc1)Cc1ccc2c(c1)CCO2 ZINC000097113743 375524832 /nfs/dbraw/zinc/52/48/32/375524832.db2.gz CUKXKQYBVHFJFL-UHFFFAOYSA-N 1 0 254.333 2.649 50 0 CFAARO CCN(CCc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC000097286767 375548344 /nfs/dbraw/zinc/54/83/44/375548344.db2.gz QDOIJXKLPRQOAW-UHFFFAOYSA-N 1 0 288.435 2.810 50 0 CFAARO O[C@@]1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CCSC1 ZINC000097371084 375551231 /nfs/dbraw/zinc/55/12/31/375551231.db2.gz BKAWERDWADNWLY-PESDSKBTSA-N 1 0 281.396 2.529 50 0 CFAARO CCOc1cccc2cc([C@H](C)[NH2+]CC3OCCO3)oc21 ZINC000097374229 375553607 /nfs/dbraw/zinc/55/36/07/375553607.db2.gz XTJSSWZEVYVGBP-NSHDSACASA-N 1 0 291.347 2.855 50 0 CFAARO C(=C\c1ccco1)\C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000098059540 375595951 /nfs/dbraw/zinc/59/59/51/375595951.db2.gz BSUMRVOZSDYEGS-BYPUDFOVSA-N 1 0 255.317 2.886 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000097425681 375558435 /nfs/dbraw/zinc/55/84/35/375558435.db2.gz SLOLPXGMPAFNJL-QGZVFWFLSA-N 1 0 299.418 2.632 50 0 CFAARO CCN(CC[NH+](C)C)C(=O)Nc1cc(C)cc(F)c1 ZINC000097475396 375564589 /nfs/dbraw/zinc/56/45/89/375564589.db2.gz FBDDMBUKQNJTDG-UHFFFAOYSA-N 1 0 267.348 2.550 50 0 CFAARO CNC(=O)c1ccnc(-c2ccc([C@H](C)[NH+](C)C)cc2)c1 ZINC000097495216 375567015 /nfs/dbraw/zinc/56/70/15/375567015.db2.gz MHPZGJASYQFIHY-LBPRGKRZSA-N 1 0 283.375 2.731 50 0 CFAARO Cc1cccc(C)c1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000097653962 375574906 /nfs/dbraw/zinc/57/49/06/375574906.db2.gz ANNAXOOWVDCNKX-CYBMUJFWSA-N 1 0 261.369 2.567 50 0 CFAARO Clc1cncc(Cl)c1CN1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097632006 375575179 /nfs/dbraw/zinc/57/51/79/375575179.db2.gz XDQLMZLOKPHPTO-ZJUUUORDSA-N 1 0 286.206 2.572 50 0 CFAARO O=C(NCC(c1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000097674117 375576751 /nfs/dbraw/zinc/57/67/51/375576751.db2.gz FILLJMGKNWEJJW-GOSISDBHSA-N 1 0 294.398 2.687 50 0 CFAARO C[C@H](c1ccc(-c2cc(CO)ccn2)cc1)[NH+](C)C ZINC000097757789 375583940 /nfs/dbraw/zinc/58/39/40/375583940.db2.gz PDFVFQSBAFQIOY-GFCCVEGCSA-N 1 0 256.349 2.864 50 0 CFAARO Cc1n[nH]c(CN2CCC[N@@H+](C3CCCC3)CC2)c1Cl ZINC000097766517 375584680 /nfs/dbraw/zinc/58/46/80/375584680.db2.gz CWBVPWFHQYAQEJ-UHFFFAOYSA-N 1 0 296.846 2.822 50 0 CFAARO Cc1cc(-c2c(C)n(O)c(C)c(C)[n+]2=O)ccc1F ZINC000103655076 375757877 /nfs/dbraw/zinc/75/78/77/375757877.db2.gz QFCDMTLJWHVOCW-UHFFFAOYSA-N 1 0 263.292 2.680 50 0 CFAARO C[C@H](CNC(=O)Nc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000111418848 375846948 /nfs/dbraw/zinc/84/69/48/375846948.db2.gz ODZVUSKBGDDZPP-CQSZACIVSA-N 1 0 298.390 2.724 50 0 CFAARO Cn1cncc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000112343652 375909230 /nfs/dbraw/zinc/90/92/30/375909230.db2.gz LUDWXHKRLAUKDX-CYBMUJFWSA-N 1 0 277.368 2.886 50 0 CFAARO COCn1c[n+](Cc2ccc(C)cc2)c2ccccc21 ZINC000261490717 190039187 /nfs/dbraw/zinc/03/91/87/190039187.db2.gz SBUCWHCWKNNFOL-UHFFFAOYSA-N 1 0 267.352 2.889 50 0 CFAARO CC[C@@H](C)COC[n+]1ccn(Cc2ccccc2)c1 ZINC000261492774 190039238 /nfs/dbraw/zinc/03/92/38/190039238.db2.gz AZXDSTGDBNHDJQ-OAHLLOKOSA-N 1 0 259.373 2.844 50 0 CFAARO Cc1ccc(OC2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000131368674 377702533 /nfs/dbraw/zinc/70/25/33/377702533.db2.gz XYMCTZRNQXIMBE-UHFFFAOYSA-N 1 0 285.391 2.735 50 0 CFAARO C[C@H](Cc1ccccc1F)[NH2+]Cc1nnc2ccccn21 ZINC000134123839 377985805 /nfs/dbraw/zinc/98/58/05/377985805.db2.gz CLMFWRXVNCQWEM-GFCCVEGCSA-N 1 0 284.338 2.589 50 0 CFAARO C[C@H]([NH3+])C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000157396092 378654713 /nfs/dbraw/zinc/65/47/13/378654713.db2.gz GHQLLTDVFORJHO-NSHDSACASA-N 1 0 266.344 2.562 50 0 CFAARO O=C([C@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CC[NH2+]CC1 ZINC000159341622 378704042 /nfs/dbraw/zinc/70/40/42/378704042.db2.gz HEKBWLHMBDPCHC-MNOVXSKESA-N 1 0 299.201 2.529 50 0 CFAARO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1cccs1 ZINC000170594416 379121724 /nfs/dbraw/zinc/12/17/24/379121724.db2.gz RZCKRNXHECJMCM-SNVBAGLBSA-N 1 0 254.399 2.561 50 0 CFAARO CCN(C(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C)C1CCCCC1 ZINC000170631153 379131021 /nfs/dbraw/zinc/13/10/21/379131021.db2.gz RFUKKFHNOLOTFL-KBPBESRZSA-N 1 0 298.496 2.993 50 0 CFAARO O=S(=O)(CC[NH+]1CCCCCCC1)Oc1ccccc1 ZINC000048617058 412910708 /nfs/dbraw/zinc/91/07/08/412910708.db2.gz OTVOANUGJIEZKD-UHFFFAOYSA-N 1 0 297.420 2.661 50 0 CFAARO [NH2+]=C(NC1CC1)SCc1csc(-c2ncccn2)n1 ZINC000048641513 412913158 /nfs/dbraw/zinc/91/31/58/412913158.db2.gz CBHBUGIKBOHLDG-UHFFFAOYSA-N 1 0 291.405 2.520 50 0 CFAARO COc1ccc(C[N@H+](C)CC2CCOCC2)cc1F ZINC000172007373 379467969 /nfs/dbraw/zinc/46/79/69/379467969.db2.gz CIURYDKFZPMHIX-UHFFFAOYSA-N 1 0 267.344 2.693 50 0 CFAARO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)nc1 ZINC000335849710 379990619 /nfs/dbraw/zinc/99/06/19/379990619.db2.gz OUZCXDXBGQQGQH-ZBFHGGJFSA-N 1 0 270.380 2.670 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(C)c(Cl)c2)C1 ZINC000178978349 380497886 /nfs/dbraw/zinc/49/78/86/380497886.db2.gz QWLJLWBWWPQYMB-GJBLVYBDSA-N 1 0 292.810 2.730 50 0 CFAARO C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1N(C)C ZINC000179417045 380541197 /nfs/dbraw/zinc/54/11/97/380541197.db2.gz CFVJPYHZTINFEI-SOUVJXGZSA-N 1 0 276.424 2.954 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000409420986 380959085 /nfs/dbraw/zinc/95/90/85/380959085.db2.gz RSKWHQSHRDDWIK-CYBMUJFWSA-N 1 0 299.374 2.824 50 0 CFAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@H]1C)Cc1cccc(F)c1 ZINC000408519143 380935993 /nfs/dbraw/zinc/93/59/93/380935993.db2.gz FVACLIGPJJFFEJ-ZENOOKHLSA-N 1 0 292.398 2.733 50 0 CFAARO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000408519187 380936071 /nfs/dbraw/zinc/93/60/71/380936071.db2.gz PTWHZCLKKZBZHQ-KFWWJZLASA-N 1 0 274.408 2.827 50 0 CFAARO O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129188007 296318509 /nfs/dbraw/zinc/31/85/09/296318509.db2.gz YNDCTXDGZJJOFZ-NWDGAFQWSA-N 1 0 292.345 2.710 50 0 CFAARO COc1cccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)c1 ZINC000347685097 381296164 /nfs/dbraw/zinc/29/61/64/381296164.db2.gz GLIDIEJHJCYGMV-AWEZNQCLSA-N 1 0 251.370 2.580 50 0 CFAARO COc1ccccc1CC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000000248061 169586767 /nfs/dbraw/zinc/58/67/67/169586767.db2.gz UCPUZQNWLLHCMH-HOCLYGCPSA-N 1 0 263.381 2.785 50 0 CFAARO COc1ccc(C(=O)C[NH2+]Cc2ccccc2)cc1 ZINC000049845405 412950664 /nfs/dbraw/zinc/95/06/64/412950664.db2.gz WYMUOZYOTHERNN-UHFFFAOYSA-N 1 0 255.317 2.668 50 0 CFAARO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccccc1 ZINC000350670899 382014894 /nfs/dbraw/zinc/01/48/94/382014894.db2.gz UZODWFXRQJPZBJ-STQMWFEESA-N 1 0 296.361 2.839 50 0 CFAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CC=C(c2ccccc2)CC1 ZINC000299781424 382045887 /nfs/dbraw/zinc/04/58/87/382045887.db2.gz WDNHHERBDLPRPK-KRWDZBQOSA-N 1 0 296.414 2.692 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCOC1(C)C ZINC000293609471 382195121 /nfs/dbraw/zinc/19/51/21/382195121.db2.gz GNUVAPOEVFHUIL-OAHLLOKOSA-N 1 0 273.380 2.502 50 0 CFAARO CSCc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000188724858 382465003 /nfs/dbraw/zinc/46/50/03/382465003.db2.gz MYDRCNHZQIVZIS-SMDDNHRTSA-N 1 0 251.395 2.817 50 0 CFAARO CN(C/C=C/c1ccc(F)cc1)C[C@H]1CCC[N@@H+]1C ZINC000421412207 382526371 /nfs/dbraw/zinc/52/63/71/382526371.db2.gz RWIVYTYPEMDYAR-LLCTXKFZSA-N 1 0 262.372 2.865 50 0 CFAARO CC[C@H](O)C[N@H+](C)C[C@@H]1CCCc2sc(C)nc21 ZINC000366597776 382528759 /nfs/dbraw/zinc/52/87/59/382528759.db2.gz VHGAVNIEMWQCGU-RYUDHWBXSA-N 1 0 268.426 2.574 50 0 CFAARO Cc1cc(C[NH3+])cc(NC(=O)CC[C@@H]2CCCCO2)c1 ZINC000322845356 382541324 /nfs/dbraw/zinc/54/13/24/382541324.db2.gz MNBAUVJQOLQKCX-HNNXBMFYSA-N 1 0 276.380 2.742 50 0 CFAARO OCc1ccc(C[NH2+]C[C@H]2CCCCC2(F)F)o1 ZINC000295054406 382569333 /nfs/dbraw/zinc/56/93/33/382569333.db2.gz FZSYSEGZMOUTNZ-SNVBAGLBSA-N 1 0 259.296 2.687 50 0 CFAARO Cc1cncc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000190034784 382651147 /nfs/dbraw/zinc/65/11/47/382651147.db2.gz BNUNAQBIPNYRMU-UHFFFAOYSA-N 1 0 282.387 2.874 50 0 CFAARO C/C(=C\c1ccccc1)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000192973530 382714188 /nfs/dbraw/zinc/71/41/88/382714188.db2.gz INVMYADMEPOTCW-BFMMAWNYSA-N 1 0 265.422 2.789 50 0 CFAARO Cc1occc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193804474 382726064 /nfs/dbraw/zinc/72/60/64/382726064.db2.gz WOQGUHQPUKEUCQ-INIZCTEOSA-N 1 0 298.386 2.840 50 0 CFAARO [NH3+]CCCC(=O)N1CCC[C@H]1[C@@H]1CCCc2ccccc21 ZINC000195542484 382769273 /nfs/dbraw/zinc/76/92/73/382769273.db2.gz YCEHFSADVDDUHS-SJORKVTESA-N 1 0 286.419 2.836 50 0 CFAARO C[N@H+](CCn1ccnc1)Cc1ccc([C@H]2CCCO2)s1 ZINC000215456122 382779179 /nfs/dbraw/zinc/77/91/79/382779179.db2.gz ZABCCFDRORCGFE-CQSZACIVSA-N 1 0 291.420 2.928 50 0 CFAARO Cc1cc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)on1 ZINC000215490061 382779237 /nfs/dbraw/zinc/77/92/37/382779237.db2.gz IEHUWKAQKZWKAS-AWEZNQCLSA-N 1 0 274.368 2.624 50 0 CFAARO COc1cc2c(cc1C[N@H+](C)CCSC)OCCCO2 ZINC000215539540 382779304 /nfs/dbraw/zinc/77/93/04/382779304.db2.gz RPCOJEJTPNCIDK-UHFFFAOYSA-N 1 0 297.420 2.651 50 0 CFAARO CCCn1ccnc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000215807877 382780895 /nfs/dbraw/zinc/78/08/95/382780895.db2.gz KCKBLWTWUVTPAM-UHFFFAOYSA-N 1 0 269.392 2.892 50 0 CFAARO CCc1nccc(CN2CCC[C@H]2c2nccs2)n1 ZINC000215991492 382781312 /nfs/dbraw/zinc/78/13/12/382781312.db2.gz WXGQBVYNMCKCKO-LBPRGKRZSA-N 1 0 274.393 2.833 50 0 CFAARO Cc1cccc(CNC(=O)C[C@@H]2CCCC[N@H+]2C)c1C ZINC000215950109 382781354 /nfs/dbraw/zinc/78/13/54/382781354.db2.gz DLURQGUFRVQFBQ-INIZCTEOSA-N 1 0 274.408 2.794 50 0 CFAARO CCOc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1CO ZINC000215920527 382781399 /nfs/dbraw/zinc/78/13/99/382781399.db2.gz YFLWAEYSNZNBQP-MRXNPFEDSA-N 1 0 293.407 2.579 50 0 CFAARO Cn1ccc2cc(C[N@H+](C)CCn3cccn3)ccc21 ZINC000216509958 382783407 /nfs/dbraw/zinc/78/34/07/382783407.db2.gz ZLTPLQMFSKTLQT-UHFFFAOYSA-N 1 0 268.364 2.507 50 0 CFAARO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@H](C)c1ccccc1 ZINC000194510824 382746521 /nfs/dbraw/zinc/74/65/21/382746521.db2.gz UELSXIPAOIMIRN-SQWLQELKSA-N 1 0 263.381 2.574 50 0 CFAARO O=C(NC[C@@H]1CCCCC[NH2+]1)C1(c2ccccc2F)CC1 ZINC000219107138 382792449 /nfs/dbraw/zinc/79/24/49/382792449.db2.gz AKWFFDCZEJPLAB-ZDUSSCGKSA-N 1 0 290.382 2.506 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000221699299 382799240 /nfs/dbraw/zinc/79/92/40/382799240.db2.gz COQNRXLDRBOVKO-VWILAXROSA-N 1 0 272.392 2.690 50 0 CFAARO C[C@@H](C[N@@H+]1CC[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000221919800 382800414 /nfs/dbraw/zinc/80/04/14/382800414.db2.gz MMFRHRRTGDGTNL-NWDGAFQWSA-N 1 0 253.773 2.758 50 0 CFAARO Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000225250261 382813564 /nfs/dbraw/zinc/81/35/64/382813564.db2.gz LJCQJMNXAZJMSS-BHYGNILZSA-N 1 0 299.418 2.943 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2)no1 ZINC000229122163 382850726 /nfs/dbraw/zinc/85/07/26/382850726.db2.gz OUMPSPIBDLDRRK-JKSUJKDBSA-N 1 0 272.348 2.854 50 0 CFAARO COc1cc(-c2ccccc2)ccc1CN1CC[C@H]([NH3+])C1 ZINC000225434815 382815772 /nfs/dbraw/zinc/81/57/72/382815772.db2.gz 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277.408 2.905 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000252514929 383417091 /nfs/dbraw/zinc/41/70/91/383417091.db2.gz FFWLPXVTHTUGHH-MLGOLLRUSA-N 1 0 278.371 2.530 50 0 CFAARO COc1ccc([C@@H]2C[C@H](C)C[N@H+]2CC(OC)OC)cc1 ZINC000252540060 383417521 /nfs/dbraw/zinc/41/75/21/383417521.db2.gz ORUILKNKMRCGHV-WFASDCNBSA-N 1 0 279.380 2.697 50 0 CFAARO C[C@H](C[S@](C)=O)[N@H+](C)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252549036 383420206 /nfs/dbraw/zinc/42/02/06/383420206.db2.gz QQBHOFARDQATET-AHHJTMGVSA-N 1 0 285.375 2.806 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2C)CC[N@H+](C)[C@H]1C ZINC000255963355 383488295 /nfs/dbraw/zinc/48/82/95/383488295.db2.gz AVJHHMSHPYWQSR-BBRMVZONSA-N 1 0 261.365 2.868 50 0 CFAARO CCC(=O)N1CCC(Cn2c(C)c[nH+]c2C2CC2)CC1 ZINC000257176438 383489969 /nfs/dbraw/zinc/48/99/69/383489969.db2.gz COMRUFLJMACJET-UHFFFAOYSA-N 1 0 275.396 2.718 50 0 CFAARO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000261621224 383531349 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COc1ccc(CN2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000097742728 533553999 /nfs/dbraw/zinc/55/39/99/533553999.db2.gz VFYKMVNFBNFCJI-UHFFFAOYSA-N 1 0 278.371 2.504 50 0 CFAARO COc1cccc(NC(=O)C[N@H+](C)C2CCCCC2)c1 ZINC000007786525 533600665 /nfs/dbraw/zinc/60/06/65/533600665.db2.gz GMPSWCTYLZJBSU-UHFFFAOYSA-N 1 0 276.380 2.898 50 0 CFAARO c1ccc2oc(N3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000032779332 285531677 /nfs/dbraw/zinc/53/16/77/285531677.db2.gz DEYKTXQELPHHDQ-UHFFFAOYSA-N 1 0 271.364 2.892 50 0 CFAARO S=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CC1 ZINC000015348524 393481475 /nfs/dbraw/zinc/48/14/75/393481475.db2.gz HNMDAYXGBAGUCI-UHFFFAOYSA-N 1 0 295.496 2.802 50 0 CFAARO C[C@@H]1CN(C2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1 ZINC000002734586 393453451 /nfs/dbraw/zinc/45/34/51/393453451.db2.gz LGZGLORGIAFKQY-HUUCEWRRSA-N 1 0 280.456 2.893 50 0 CFAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000299805336 393463881 /nfs/dbraw/zinc/46/38/81/393463881.db2.gz JIGWOQRYVVMPAI-UONOGXRCSA-N 1 0 294.370 2.796 50 0 CFAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccco2)cc1 ZINC000012506995 393473119 /nfs/dbraw/zinc/47/31/19/393473119.db2.gz UXJQRJJWIZSURJ-UHFFFAOYSA-N 1 0 283.331 2.968 50 0 CFAARO c1cnc(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)nc1 ZINC000058023454 285546436 /nfs/dbraw/zinc/54/64/36/285546436.db2.gz RWUNATGZKKJBBD-KRWDZBQOSA-N 1 0 294.402 2.676 50 0 CFAARO Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ncc1Br ZINC000382445627 393572053 /nfs/dbraw/zinc/57/20/53/393572053.db2.gz JEUJJAIPUVSBPX-ZJUUUORDSA-N 1 0 284.201 2.834 50 0 CFAARO CC(=O)Nc1ccc(C[N@@H+](Cc2cnn(C)c2)C2CC2)cc1 ZINC000065529407 393630634 /nfs/dbraw/zinc/63/06/34/393630634.db2.gz QZAFPKVCVGTTPB-UHFFFAOYSA-N 1 0 298.390 2.543 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1cnn(-c2ccccc2)c1)n1cccn1 ZINC000069371992 393636366 /nfs/dbraw/zinc/63/63/66/393636366.db2.gz OILHUZGWZSVGEE-LSDHHAIUSA-N 1 0 295.390 2.808 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000070172600 393637279 /nfs/dbraw/zinc/63/72/79/393637279.db2.gz OQRFJHMTGVOCOM-ZIAGYGMSSA-N 1 0 260.381 2.503 50 0 CFAARO CC(C)(C[NH2+]CC1(O)CCSCC1)c1ccccc1 ZINC000225546625 393769131 /nfs/dbraw/zinc/76/91/31/393769131.db2.gz VVGOHVNAZKUMCY-UHFFFAOYSA-N 1 0 279.449 2.812 50 0 CFAARO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)no1 ZINC000230228838 393778667 /nfs/dbraw/zinc/77/86/67/393778667.db2.gz GCZRYGRNJSGZAR-QWHCGFSZSA-N 1 0 277.368 2.576 50 0 CFAARO CCn1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2SC)cn1 ZINC000093869487 393804725 /nfs/dbraw/zinc/80/47/25/393804725.db2.gz OBZYOCOVFBWAQX-OLZOCXBDSA-N 1 0 253.415 2.619 50 0 CFAARO Fc1cccc(F)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000093820757 393804936 /nfs/dbraw/zinc/80/49/36/393804936.db2.gz NLLHEIQIMWKRFH-AWEZNQCLSA-N 1 0 253.292 2.577 50 0 CFAARO C[NH+](C)CC[C@@H](OC(=O)C1CCOCC1)c1ccccc1 ZINC000096424075 393829238 /nfs/dbraw/zinc/82/92/38/393829238.db2.gz WGHOOJGRKFTXCS-MRXNPFEDSA-N 1 0 291.391 2.649 50 0 CFAARO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000096424702 393829488 /nfs/dbraw/zinc/82/94/88/393829488.db2.gz VRLDIEKJAWJMLI-QWHCGFSZSA-N 1 0 268.788 2.860 50 0 CFAARO CCC[N@H+](C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000115538140 393905073 /nfs/dbraw/zinc/90/50/73/393905073.db2.gz WMVQAGGYLJQQBY-AWEZNQCLSA-N 1 0 264.344 2.663 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cnccn2)C1 ZINC000097047825 393840209 /nfs/dbraw/zinc/84/02/09/393840209.db2.gz PAVPJDFTOOKOFZ-GJZGRUSLSA-N 1 0 274.412 2.567 50 0 CFAARO Cc1cc2cccnc2c(NC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000097052324 393840909 /nfs/dbraw/zinc/84/09/09/393840909.db2.gz XCEMLVKKFBCYKB-UHFFFAOYSA-N 1 0 298.390 2.713 50 0 CFAARO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252486518 393935521 /nfs/dbraw/zinc/93/55/21/393935521.db2.gz KOTGXINIQKHREC-DGAVXFQQSA-N 1 0 292.427 2.674 50 0 CFAARO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252486519 393935618 /nfs/dbraw/zinc/93/56/18/393935618.db2.gz KOTGXINIQKHREC-ZOBORPQBSA-N 1 0 292.427 2.674 50 0 CFAARO Cc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1F ZINC000252496869 393936151 /nfs/dbraw/zinc/93/61/51/393936151.db2.gz PTFUQELAHLLLBU-UHFFFAOYSA-N 1 0 290.382 2.740 50 0 CFAARO CCN(C)c1ccc(C[NH2+]Cc2cncc(C)c2)cn1 ZINC000252496672 393936370 /nfs/dbraw/zinc/93/63/70/393936370.db2.gz POHOAKUQZHZYCP-UHFFFAOYSA-N 1 0 270.380 2.531 50 0 CFAARO [NH3+]Cc1cc(Br)cc(Br)c1F ZINC000263623039 393964302 /nfs/dbraw/zinc/96/43/02/393964302.db2.gz DDBGHRHRQYYLSX-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470308 394004603 /nfs/dbraw/zinc/00/46/03/394004603.db2.gz IUVKFZVETVUELB-UONOGXRCSA-N 1 0 292.402 2.707 50 0 CFAARO C[C@@H]1CC[N@H+](Cc2cnc(N(C)C)s2)CCS1 ZINC000276989897 394053578 /nfs/dbraw/zinc/05/35/78/394053578.db2.gz GQAASOJGCQVSCY-SNVBAGLBSA-N 1 0 271.455 2.537 50 0 CFAARO c1ccc(N2CCC[N@@H+](CC[C@H]3CCOC3)CC2)cc1 ZINC000437686641 394068671 /nfs/dbraw/zinc/06/86/71/394068671.db2.gz MUZALGORWIAPIX-INIZCTEOSA-N 1 0 274.408 2.625 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCCOC2)CC1 ZINC000133830470 394183974 /nfs/dbraw/zinc/18/39/74/394183974.db2.gz OESHBXMNIXVRJJ-KBPBESRZSA-N 1 0 298.427 2.545 50 0 CFAARO Cc1ccc(/C=C\C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000493556527 394277275 /nfs/dbraw/zinc/27/72/75/394277275.db2.gz OSBRMCURUYIRPX-IDOVFVQQSA-N 1 0 292.810 3.000 50 0 CFAARO O=C(Nc1cnc(-c2ccccc2)s1)[C@@H]1CCC[NH2+]1 ZINC000170070784 394371291 /nfs/dbraw/zinc/37/12/91/394371291.db2.gz OFARXCCNMHUGRF-NSHDSACASA-N 1 0 273.361 2.501 50 0 CFAARO c1ccc([C@@H]2CN(c3cc(C4CC4)ncn3)CC[NH2+]2)cc1 ZINC000091876927 135073713 /nfs/dbraw/zinc/07/37/13/135073713.db2.gz URZFUKFRJLMGFG-INIZCTEOSA-N 1 0 280.375 2.505 50 0 CFAARO Cc1nc(N2CCC[C@@H](OCc3ccccc3)C2)cc(N)[nH+]1 ZINC000091872295 135074004 /nfs/dbraw/zinc/07/40/04/135074004.db2.gz XLAGHRBBKXDCNV-OAHLLOKOSA-N 1 0 298.390 2.553 50 0 CFAARO CNC(=O)[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)C(C)C ZINC000529557345 394409721 /nfs/dbraw/zinc/40/97/21/394409721.db2.gz WJJCXWBAZKLYHP-VIFPVBQESA-N 1 0 294.342 2.627 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000032123532 542994676 /nfs/dbraw/zinc/99/46/76/542994676.db2.gz ONBLYVYAILTHQM-NSHDSACASA-N 1 0 278.179 2.731 50 0 CFAARO COc1cccc2ccc(N(C)C[C@H]3CCC[N@@H+]3C)nc21 ZINC000824804975 781997770 /nfs/dbraw/zinc/99/77/70/781997770.db2.gz JBJSDRMETPIHPC-CQSZACIVSA-N 1 0 285.391 2.774 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000058377639 292054419 /nfs/dbraw/zinc/05/44/19/292054419.db2.gz XXDLHNNVUULEQJ-INIZCTEOSA-N 1 0 272.392 2.695 50 0 CFAARO COc1ncc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cn1 ZINC000824851762 781998691 /nfs/dbraw/zinc/99/86/91/781998691.db2.gz DCJPCIVWRRXSSW-MRXNPFEDSA-N 1 0 283.375 2.995 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccccc1 ZINC000046859048 397582768 /nfs/dbraw/zinc/58/27/68/397582768.db2.gz HXCVEZBIHDIILG-AUECHBEKSA-N 1 0 272.392 2.690 50 0 CFAARO c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000095421481 397591855 /nfs/dbraw/zinc/59/18/55/397591855.db2.gz PNCNYTAXBYROJZ-CJNGLKHVSA-N 1 0 272.392 2.727 50 0 CFAARO COc1ccc([C@@H]2[C@H](CNc3ncccn3)CC[N@@H+]2C)cc1 ZINC000108081294 397597826 /nfs/dbraw/zinc/59/78/26/397597826.db2.gz PJPATEZLAMSCFC-GOEBONIOSA-N 1 0 298.390 2.590 50 0 CFAARO C[C@@H]1[C@H]([NH2+]CC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000108333200 397598077 /nfs/dbraw/zinc/59/80/77/397598077.db2.gz ZAGCVPRKKFBIMS-AEGPPILISA-N 1 0 274.408 2.683 50 0 CFAARO CSCC[C@H]([NH3+])C(=O)NCc1ccc2sccc2c1 ZINC000824964619 782001714 /nfs/dbraw/zinc/00/17/14/782001714.db2.gz SIAJMRSSFHKJRI-LBPRGKRZSA-N 1 0 294.445 2.598 50 0 CFAARO c1cncc(CN2CCC[C@@H]([NH+]3CCCCCC3)C2)c1 ZINC000069841762 296635683 /nfs/dbraw/zinc/63/56/83/296635683.db2.gz REMBMUQEDZCWRA-QGZVFWFLSA-N 1 0 273.424 2.922 50 0 CFAARO c1csc([C@H]([NH2+]C2CCC3(CC2)OCCO3)C2CC2)n1 ZINC000156049964 296641241 /nfs/dbraw/zinc/64/12/41/296641241.db2.gz KAXSICBWYQDOAM-CYBMUJFWSA-N 1 0 294.420 2.870 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC000097146587 296733314 /nfs/dbraw/zinc/73/33/14/296733314.db2.gz CAYRTYGZROLKMR-AGIUHOORSA-N 1 0 275.458 2.614 50 0 CFAARO Cc1cc(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc[nH+]1 ZINC000376261401 157338247 /nfs/dbraw/zinc/33/82/47/157338247.db2.gz ASEJSKNKGQMMKS-AEFFLSMTSA-N 1 0 282.387 2.992 50 0 CFAARO Cc1cccc(C)c1-c1cccc(N2CC[NH2+]CC2)n1 ZINC000032598311 292432842 /nfs/dbraw/zinc/43/28/42/292432842.db2.gz FMAWPGJQQIWYEX-UHFFFAOYSA-N 1 0 267.376 2.775 50 0 CFAARO Cc1cnccc1CC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000352698316 163225660 /nfs/dbraw/zinc/22/56/60/163225660.db2.gz QTLNIBUAPMMQCF-AWEZNQCLSA-N 1 0 270.376 2.859 50 0 CFAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H](C)n1cccn1 ZINC000069351434 287041912 /nfs/dbraw/zinc/04/19/12/287041912.db2.gz VNTBQQZYUOHRSL-OLZOCXBDSA-N 1 0 275.400 2.574 50 0 CFAARO CCC[NH+]1CCC(N(C(=O)c2ccco2)C2CC2)CC1 ZINC000001741549 169753787 /nfs/dbraw/zinc/75/37/87/169753787.db2.gz UQLVANOKILICHF-UHFFFAOYSA-N 1 0 276.380 2.759 50 0 CFAARO CCCC[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000002479021 169794425 /nfs/dbraw/zinc/79/44/25/169794425.db2.gz FFULVJAIHOSFLK-LBPRGKRZSA-N 1 0 271.788 2.778 50 0 CFAARO COCCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000004537806 169979962 /nfs/dbraw/zinc/97/99/62/169979962.db2.gz NGQKMMXYJHXLMQ-MRXNPFEDSA-N 1 0 256.349 2.797 50 0 CFAARO O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000004723240 170005516 /nfs/dbraw/zinc/00/55/16/170005516.db2.gz MLOHPDFHPUZMAS-KRWDZBQOSA-N 1 0 286.419 2.911 50 0 CFAARO CC[NH+](CC)C[C@H](O)CCCCCCCCC(=O)OC ZINC000004728737 170007236 /nfs/dbraw/zinc/00/72/36/170007236.db2.gz VQDIZCMDQNMFSY-OAHLLOKOSA-N 1 0 287.444 2.983 50 0 CFAARO C[NH+](C)C[C@@H](O)CN(c1ccccc1)c1ccccc1 ZINC000004732979 170007564 /nfs/dbraw/zinc/00/75/64/170007564.db2.gz ZZFDWKLHXCAHDS-QGZVFWFLSA-N 1 0 270.376 2.747 50 0 CFAARO O=C(c1ccccc1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004745898 170010224 /nfs/dbraw/zinc/01/02/24/170010224.db2.gz PRKJESMQXVZENJ-MRXNPFEDSA-N 1 0 284.403 2.801 50 0 CFAARO Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000004745142 170010459 /nfs/dbraw/zinc/01/04/59/170010459.db2.gz MMRYDGYIJPUMII-KRWDZBQOSA-N 1 0 286.419 2.829 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000004746281 170010863 /nfs/dbraw/zinc/01/08/63/170010863.db2.gz OCFZAUQTDLXNAE-QGZVFWFLSA-N 1 0 286.419 2.829 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCCCC1 ZINC000004867642 170033345 /nfs/dbraw/zinc/03/33/45/170033345.db2.gz DGCMPPHCVDJNTH-HNNXBMFYSA-N 1 0 263.381 2.657 50 0 CFAARO COc1cccc(C=O)c1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000004870272 170034687 /nfs/dbraw/zinc/03/46/87/170034687.db2.gz YQYKMDDGMPMRAN-CYBMUJFWSA-N 1 0 277.364 2.618 50 0 CFAARO CC(C)(CO)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004942851 170043176 /nfs/dbraw/zinc/04/31/76/170043176.db2.gz RBIFOEIHDZODKF-UHFFFAOYSA-N 1 0 263.312 2.946 50 0 CFAARO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000004951782 170044759 /nfs/dbraw/zinc/04/47/59/170044759.db2.gz LZUPKLFREZDRNA-INIZCTEOSA-N 1 0 277.408 2.775 50 0 CFAARO CN1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000004985452 170048983 /nfs/dbraw/zinc/04/89/83/170048983.db2.gz SXVXYEYERARMLE-UHFFFAOYSA-N 1 0 272.314 2.889 50 0 CFAARO C[C@H]([NH2+]C[C@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000005051494 170061166 /nfs/dbraw/zinc/06/11/66/170061166.db2.gz KJRIMWMASAAALK-FZMZJTMJSA-N 1 0 269.410 2.719 50 0 CFAARO Fc1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000005561182 170114222 /nfs/dbraw/zinc/11/42/22/170114222.db2.gz WRPKKFVTJIQUIF-NSHDSACASA-N 1 0 279.340 2.926 50 0 CFAARO CC[NH+](CC)CCn1c2ccccc2n2ccnc21 ZINC000005625413 170121739 /nfs/dbraw/zinc/12/17/39/170121739.db2.gz DWAZPUJKHVFRGR-UHFFFAOYSA-N 1 0 256.353 2.631 50 0 CFAARO COc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000005674913 170126665 /nfs/dbraw/zinc/12/66/65/170126665.db2.gz KFRQZJPGDZKWDM-OAHLLOKOSA-N 1 0 293.407 2.699 50 0 CFAARO COc1ccc2[nH]c(SCC[NH+]3CCCC3)nc2c1 ZINC000005687040 170128790 /nfs/dbraw/zinc/12/87/90/170128790.db2.gz IXUIWLWVLVGRSF-UHFFFAOYSA-N 1 0 277.393 2.759 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH2+]C(C)C)cc(C)c1Cl ZINC000005924889 170155977 /nfs/dbraw/zinc/15/59/77/170155977.db2.gz BLCABJGPDBLEPQ-LBPRGKRZSA-N 1 0 271.788 2.695 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000006468418 170203430 /nfs/dbraw/zinc/20/34/30/170203430.db2.gz YFSDLIXTIDZVDO-MCIONIFRSA-N 1 0 281.371 2.543 50 0 CFAARO CCOc1cc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)ccc1O ZINC000006553842 170212684 /nfs/dbraw/zinc/21/26/84/170212684.db2.gz FJRAFGQYLIQWHC-COXVUDFISA-N 1 0 291.391 2.747 50 0 CFAARO C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]CCc2ccccc2)[C@@H]1C ZINC000006586391 170216430 /nfs/dbraw/zinc/21/64/30/170216430.db2.gz UALCJLFEJBRVTK-BFYDXBDKSA-N 1 0 288.435 2.760 50 0 CFAARO COc1ccc(C[NH2+]CCCn2nc(C)cc2C)cc1 ZINC000006603002 170218462 /nfs/dbraw/zinc/21/84/62/170218462.db2.gz YLXBHJUSXPLJDR-UHFFFAOYSA-N 1 0 273.380 2.688 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(C)cc2)C1 ZINC000006702447 170229833 /nfs/dbraw/zinc/22/98/33/170229833.db2.gz OEAFBQXHXIYMAR-OAHLLOKOSA-N 1 0 291.391 2.649 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000006741209 170237336 /nfs/dbraw/zinc/23/73/36/170237336.db2.gz ZSBFSEOTNVMTCF-UHFFFAOYSA-N 1 0 275.396 2.863 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000006879364 170252236 /nfs/dbraw/zinc/25/22/36/170252236.db2.gz OLAGSXXPFCICTG-UHFFFAOYSA-N 1 0 283.322 2.524 50 0 CFAARO CCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000007261696 170273897 /nfs/dbraw/zinc/27/38/97/170273897.db2.gz VNRJBPUMZLITQS-UHFFFAOYSA-N 1 0 292.423 2.870 50 0 CFAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000007636323 170294592 /nfs/dbraw/zinc/29/45/92/170294592.db2.gz TXKKKHZRWWVMBX-GFCCVEGCSA-N 1 0 259.434 2.967 50 0 CFAARO COc1ccc(NC(=O)C[N@H+](C)CCc2ccccc2)cc1 ZINC000008185872 170323555 /nfs/dbraw/zinc/32/35/55/170323555.db2.gz KTRRCAWFVHSXAM-UHFFFAOYSA-N 1 0 298.386 2.808 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)cc1 ZINC000008342622 170332309 /nfs/dbraw/zinc/33/23/09/170332309.db2.gz LULGZIAYVGAVAD-CYBMUJFWSA-N 1 0 281.787 2.946 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH2+]Cc2ccco2)ccc1Cl ZINC000009970651 170392400 /nfs/dbraw/zinc/39/24/00/170392400.db2.gz OESMPHAWTODMIG-LBPRGKRZSA-N 1 0 295.766 2.771 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000010017743 170395309 /nfs/dbraw/zinc/39/53/09/170395309.db2.gz VGTKDXDQURPQEL-MRXNPFEDSA-N 1 0 286.350 2.858 50 0 CFAARO O=C(CCC1CC[NH+](C2CCSCC2)CC1)NC1CC1 ZINC000011818642 170443512 /nfs/dbraw/zinc/44/35/12/170443512.db2.gz KLSRKVKUNUGNFK-UHFFFAOYSA-N 1 0 296.480 2.653 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2)CCCCC1 ZINC000011917380 170458661 /nfs/dbraw/zinc/45/86/61/170458661.db2.gz IGOXMJNGGGFQOV-UHFFFAOYSA-N 1 0 278.371 2.820 50 0 CFAARO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OC ZINC000013727100 170582580 /nfs/dbraw/zinc/58/25/80/170582580.db2.gz AXEZYKXOHVYJQF-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO CS(=O)(=O)c1cccc([C@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000019421286 170792389 /nfs/dbraw/zinc/79/23/89/170792389.db2.gz DXMXEBUKHYVVFF-CQSZACIVSA-N 1 0 295.791 2.792 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)CC2CC2)c(C)c1 ZINC000019758105 170855078 /nfs/dbraw/zinc/85/50/78/170855078.db2.gz AKBFESUUCTTYRR-GOEBONIOSA-N 1 0 277.408 2.821 50 0 CFAARO CC[NH+](CC)CCSC[C@@H](O)c1ccccc1 ZINC000019926640 170930183 /nfs/dbraw/zinc/93/01/83/170930183.db2.gz OORLQAFRJPGNSX-CQSZACIVSA-N 1 0 253.411 2.795 50 0 CFAARO C[C@@H]1C[NH+](CCCOc2ccccc2F)C[C@@H](C)O1 ZINC000020168069 171040706 /nfs/dbraw/zinc/04/07/06/171040706.db2.gz NHJGDYFTOHMSNE-CHWSQXEVSA-N 1 0 267.344 2.704 50 0 CFAARO CSCCC[N@@H+]1CCO[C@H](Cc2ccc(F)cc2)C1 ZINC000020211310 171074968 /nfs/dbraw/zinc/07/49/68/171074968.db2.gz CDXRVSQXZHYJFC-OAHLLOKOSA-N 1 0 283.412 2.822 50 0 CFAARO O=C(Nc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1)C1CC1 ZINC000020441505 171205245 /nfs/dbraw/zinc/20/52/45/171205245.db2.gz RZOZVXYILBYKCO-INIZCTEOSA-N 1 0 285.391 2.541 50 0 CFAARO Cc1noc2ncnc(NCCC[N@H+]3CCCC[C@@H]3C)c12 ZINC000020575200 171256054 /nfs/dbraw/zinc/25/60/54/171256054.db2.gz BWGWQKIHMARRLH-NSHDSACASA-N 1 0 289.383 2.603 50 0 CFAARO CN1CC[NH+](CCCCSc2ccccc2)CC1 ZINC000020652598 171268801 /nfs/dbraw/zinc/26/88/01/171268801.db2.gz RRUBZPYVEDMNHN-UHFFFAOYSA-N 1 0 264.438 2.806 50 0 CFAARO CC(C)(C)c1cccc(OCCN2CCOCC2)c1 ZINC000020639510 171268819 /nfs/dbraw/zinc/26/88/19/171268819.db2.gz ZUMIVXOFBNMUMM-UHFFFAOYSA-N 1 0 263.381 2.695 50 0 CFAARO C[C@H]1C[NH+](CCSc2ccccc2)C[C@H](C)O1 ZINC000020653619 171269530 /nfs/dbraw/zinc/26/95/30/171269530.db2.gz PUEXDBWZCWWBQD-STQMWFEESA-N 1 0 251.395 2.888 50 0 CFAARO O[C@@H]1CC[N@H+](CCc2ccc(-c3ccccc3)cc2)C1 ZINC000020706807 171269896 /nfs/dbraw/zinc/26/98/96/171269896.db2.gz XPGWZJHRLUGYAO-GOSISDBHSA-N 1 0 267.372 2.963 50 0 CFAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000020785493 171272546 /nfs/dbraw/zinc/27/25/46/171272546.db2.gz JUPUGGDFMAQXSE-QGZVFWFLSA-N 1 0 299.393 2.975 50 0 CFAARO Cc1ncc2c(c1-c1noc([C@H]3CC=CCC3)n1)CC[NH2+]C2 ZINC000020820554 171273639 /nfs/dbraw/zinc/27/36/39/171273639.db2.gz SPGZNTQLNMQCSB-LBPRGKRZSA-N 1 0 296.374 2.909 50 0 CFAARO CCn1cc(C[NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000020935349 171281849 /nfs/dbraw/zinc/28/18/49/171281849.db2.gz JWZLFZOANOTQHQ-UHFFFAOYSA-N 1 0 299.418 2.763 50 0 CFAARO CC1(C)CC(NC(=O)c2ccc(Cl)o2)CC(C)(C)[NH2+]1 ZINC000021473015 171304176 /nfs/dbraw/zinc/30/41/76/171304176.db2.gz YQGAYKABZKQGTO-UHFFFAOYSA-N 1 0 284.787 2.972 50 0 CFAARO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000021782677 171322317 /nfs/dbraw/zinc/32/23/17/171322317.db2.gz RNYZUDDFIJIKGM-GFCCVEGCSA-N 1 0 257.337 2.969 50 0 CFAARO COc1ccccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000021938332 171337842 /nfs/dbraw/zinc/33/78/42/171337842.db2.gz VFSGQOKZMNEZFJ-UHFFFAOYSA-N 1 0 298.386 2.687 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000022076127 171352067 /nfs/dbraw/zinc/35/20/67/171352067.db2.gz MSXNHQFOWTZXIY-MRXNPFEDSA-N 1 0 257.333 2.518 50 0 CFAARO C[C@H](Cc1ccccc1F)[NH2+]CCN1CCCCC1 ZINC000022455422 171388049 /nfs/dbraw/zinc/38/80/49/171388049.db2.gz OASVWNOZXMIQOY-CQSZACIVSA-N 1 0 264.388 2.832 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@@H](C)C1 ZINC000022779599 171398617 /nfs/dbraw/zinc/39/86/17/171398617.db2.gz DJQARZCZCLCJFV-BBRMVZONSA-N 1 0 261.365 2.949 50 0 CFAARO CN(C)C(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000023382010 171420725 /nfs/dbraw/zinc/42/07/25/171420725.db2.gz CCBNLJYVAPVFHL-UHFFFAOYSA-N 1 0 280.799 2.640 50 0 CFAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccnc2)cc1 ZINC000024140182 171432575 /nfs/dbraw/zinc/43/25/75/171432575.db2.gz XVRSUIATZSOEBH-UHFFFAOYSA-N 1 0 297.402 2.853 50 0 CFAARO CCN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000035220763 172062266 /nfs/dbraw/zinc/06/22/66/172062266.db2.gz HORTVZUWNIEDSH-INIZCTEOSA-N 1 0 274.408 2.738 50 0 CFAARO O=C(C[NH2+]CC1CCC1)Nc1ccccc1Br ZINC000037180626 173013174 /nfs/dbraw/zinc/01/31/74/173013174.db2.gz IWWKVZFXQIHPRI-UHFFFAOYSA-N 1 0 297.196 2.777 50 0 CFAARO O=C(C[NH2+]CC1CCCC1)Nc1cccc(F)c1 ZINC000037258549 173068968 /nfs/dbraw/zinc/06/89/68/173068968.db2.gz OCUSAORVOLKEFA-UHFFFAOYSA-N 1 0 250.317 2.544 50 0 CFAARO O=C(C[NH2+]C1CCCC1)Nc1cc(Cl)ccc1F ZINC000037386795 173170267 /nfs/dbraw/zinc/17/02/67/173170267.db2.gz IDXAHZSWRVEIIX-UHFFFAOYSA-N 1 0 270.735 2.950 50 0 CFAARO CCOc1ccccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408274 173185266 /nfs/dbraw/zinc/18/52/66/173185266.db2.gz WIAWXSHDOYSPBN-AWEZNQCLSA-N 1 0 274.408 2.659 50 0 CFAARO COc1cccc(Cn2c(N)[nH+]c3ccccc32)c1 ZINC000038078017 174088114 /nfs/dbraw/zinc/08/81/14/174088114.db2.gz UGVHOGLCIXPIOP-UHFFFAOYSA-N 1 0 253.305 2.675 50 0 CFAARO Clc1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000038580890 174148713 /nfs/dbraw/zinc/14/87/13/174148713.db2.gz QGHRQNDZGHIJTA-QMMMGPOBSA-N 1 0 276.561 2.843 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000039975667 174180311 /nfs/dbraw/zinc/18/03/11/174180311.db2.gz BIQNAFLHOPXADW-NUEKZKHPSA-N 1 0 274.408 2.842 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1ccccc1Cl ZINC000039975627 174180331 /nfs/dbraw/zinc/18/03/31/174180331.db2.gz YSQQIHAHZQWISG-AWEZNQCLSA-N 1 0 294.826 2.873 50 0 CFAARO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000039985795 174181889 /nfs/dbraw/zinc/18/18/89/174181889.db2.gz JGXQUBWGDFGNCM-AWEZNQCLSA-N 1 0 262.397 2.822 50 0 CFAARO CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040025527 174183808 /nfs/dbraw/zinc/18/38/08/174183808.db2.gz MXGQWJRJHUNGTL-OAHLLOKOSA-N 1 0 274.408 2.813 50 0 CFAARO CCc1cccc(C)c1NC(=O)NCCC[NH+](C)C ZINC000040477685 174283216 /nfs/dbraw/zinc/28/32/16/174283216.db2.gz DETZGFQCJYEOSG-UHFFFAOYSA-N 1 0 263.385 2.631 50 0 CFAARO CC[C@@H](CNC(=O)c1ccc(F)cc1F)[NH+]1CCCC1 ZINC000040522434 174311188 /nfs/dbraw/zinc/31/11/88/174311188.db2.gz WUOZMNPMJWPKIG-LBPRGKRZSA-N 1 0 282.334 2.569 50 0 CFAARO CCC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000040615187 174354392 /nfs/dbraw/zinc/35/43/92/174354392.db2.gz PPHDSVDSMXYXSI-HNNXBMFYSA-N 1 0 290.407 2.748 50 0 CFAARO CCOc1cc(C[NH2+]CCOC)ccc1OC(C)C ZINC000040728749 174388081 /nfs/dbraw/zinc/38/80/81/174388081.db2.gz KJYUYULKUYXGIK-UHFFFAOYSA-N 1 0 267.369 2.609 50 0 CFAARO COc1cc(C[NH2+]CCCCCO)ccc1OC(C)C ZINC000040729562 174388356 /nfs/dbraw/zinc/38/83/56/174388356.db2.gz MGZDWAHFQUFDPO-UHFFFAOYSA-N 1 0 281.396 2.735 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCCCO ZINC000040744249 174391247 /nfs/dbraw/zinc/39/12/47/174391247.db2.gz UXESUCGVZRKUMA-UHFFFAOYSA-N 1 0 271.788 2.989 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2ccccc2Cl)CC1 ZINC000043468032 175053459 /nfs/dbraw/zinc/05/34/59/175053459.db2.gz PBRMFCCVUXQHFT-UHFFFAOYSA-N 1 0 281.787 2.946 50 0 CFAARO CCC[C@@H](C)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045943610 175387401 /nfs/dbraw/zinc/38/74/01/175387401.db2.gz CLDAGOJUBBAKRX-LLVKDONJSA-N 1 0 260.341 2.752 50 0 CFAARO Cc1ccsc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000046858655 175399854 /nfs/dbraw/zinc/39/98/54/175399854.db2.gz OEKNSUOTNNUOII-LBPRGKRZSA-N 1 0 266.410 2.661 50 0 CFAARO Cc1ccsc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000055538688 175580750 /nfs/dbraw/zinc/58/07/50/175580750.db2.gz BSCHJVPBWWERCK-NSHDSACASA-N 1 0 266.410 2.518 50 0 CFAARO CCCCCC[NH+]1CCC(Cn2cc([C@H](C)O)nn2)CC1 ZINC000063870823 175689552 /nfs/dbraw/zinc/68/95/52/175689552.db2.gz FSZFDBCEFRQSNT-AWEZNQCLSA-N 1 0 294.443 2.624 50 0 CFAARO CNC(=O)CC1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000065489442 175742653 /nfs/dbraw/zinc/74/26/53/175742653.db2.gz AELAIFNUGHKKQL-NTCAYCPXSA-N 1 0 286.419 2.938 50 0 CFAARO C/C=C(\C)C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000065495780 175743985 /nfs/dbraw/zinc/74/39/85/175743985.db2.gz UXWMCYDMGSNYLF-RNSFGAQFSA-N 1 0 266.429 2.529 50 0 CFAARO [NH3+]CCc1cc(N2CCC[C@@H](c3ccccc3)CC2)ncn1 ZINC000067852244 175797433 /nfs/dbraw/zinc/79/74/33/175797433.db2.gz PQBZCWQFMAPDKC-MRXNPFEDSA-N 1 0 296.418 2.752 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)o1 ZINC000069455517 175831556 /nfs/dbraw/zinc/83/15/56/175831556.db2.gz RCZGJLQXXAMNCH-UONOGXRCSA-N 1 0 276.380 2.541 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000070173300 175877944 /nfs/dbraw/zinc/87/79/44/175877944.db2.gz SVFJZWYZKHWUCV-RCDMQAKVSA-N 1 0 292.810 2.939 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000070173065 175878193 /nfs/dbraw/zinc/87/81/93/175878193.db2.gz ZAPSCTNNCKRANX-MNOVXSKESA-N 1 0 298.789 2.607 50 0 CFAARO Cc1ncsc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000071212698 176084110 /nfs/dbraw/zinc/08/41/10/176084110.db2.gz MLQMDRBRONLEOP-UHFFFAOYSA-N 1 0 276.361 2.513 50 0 CFAARO CC(C)[C@@H]1C[N@H+](C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071730391 176256005 /nfs/dbraw/zinc/25/60/05/176256005.db2.gz WCFZYNMLTVHPMB-HNNXBMFYSA-N 1 0 278.371 2.514 50 0 CFAARO CC[N@@H+]1CCC[C@H](Nc2nc(C)cc(C3CCC3)n2)C1 ZINC000071764072 176261909 /nfs/dbraw/zinc/26/19/09/176261909.db2.gz NAFXLEQQDFXEIU-AWEZNQCLSA-N 1 0 274.412 2.949 50 0 CFAARO C[C@H]1CCC[C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000071803450 176266518 /nfs/dbraw/zinc/26/65/18/176266518.db2.gz IJAAWNWLOOADRG-HOCLYGCPSA-N 1 0 295.471 2.796 50 0 CFAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCCN(C)C1 ZINC000071820843 176270729 /nfs/dbraw/zinc/27/07/29/176270729.db2.gz JFUODDKHNQMSME-MRXNPFEDSA-N 1 0 298.434 2.673 50 0 CFAARO OC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000071856531 176278818 /nfs/dbraw/zinc/27/88/18/176278818.db2.gz RTCJSEPHVBJIHK-LBPRGKRZSA-N 1 0 289.297 2.584 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000071913955 176298594 /nfs/dbraw/zinc/29/85/94/176298594.db2.gz XQDKPUIIDNGSCQ-UKRRQHHQSA-N 1 0 274.364 2.744 50 0 CFAARO CC(C)c1cc(NC[C@H](C)[NH+]2CCCC2)n2nccc2n1 ZINC000072144952 176325175 /nfs/dbraw/zinc/32/51/75/176325175.db2.gz RZVYLFQMNDDSJV-ZDUSSCGKSA-N 1 0 287.411 2.749 50 0 CFAARO CC(=O)C1(c2ccccc2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072148973 176325575 /nfs/dbraw/zinc/32/55/75/176325575.db2.gz XSZXGQIWTDDMHA-INIZCTEOSA-N 1 0 287.403 2.646 50 0 CFAARO CCc1ccccc1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000072147511 176325997 /nfs/dbraw/zinc/32/59/97/176325997.db2.gz INUWXFUYCGMGDY-AWEZNQCLSA-N 1 0 274.408 2.727 50 0 CFAARO C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@@H]1CCOC1 ZINC000072150242 176326222 /nfs/dbraw/zinc/32/62/22/176326222.db2.gz CGFUOJDCFJZGDC-ZDUSSCGKSA-N 1 0 272.348 2.810 50 0 CFAARO Fc1cccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)c1 ZINC000072242439 176349211 /nfs/dbraw/zinc/34/92/11/176349211.db2.gz WQMLYKATFAYXSP-QGZVFWFLSA-N 1 0 296.349 2.948 50 0 CFAARO Cc1cnc(Nc2cc([C@@H]3CCC[NH2+]3)nc(C)n2)s1 ZINC000072382163 176388023 /nfs/dbraw/zinc/38/80/23/176388023.db2.gz JORSDKNCDRUTIR-JTQLQIEISA-N 1 0 275.381 2.718 50 0 CFAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000072411173 176398429 /nfs/dbraw/zinc/39/84/29/176398429.db2.gz AKRYVJUJMXMZBJ-QGZVFWFLSA-N 1 0 291.435 2.737 50 0 CFAARO CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)CC[NH3+] ZINC000077302717 177250722 /nfs/dbraw/zinc/25/07/22/177250722.db2.gz MAPNVVAQYOQSKD-UHFFFAOYSA-N 1 0 284.359 2.786 50 0 CFAARO CC(C)[N@H+](Cc1nc(-c2ccoc2)no1)C1CCOCC1 ZINC000077322652 177252855 /nfs/dbraw/zinc/25/28/55/177252855.db2.gz JPVHPQZWNDOWNU-UHFFFAOYSA-N 1 0 291.351 2.719 50 0 CFAARO CCc1ccccc1OC1CN(c2cc[nH+]cc2)C1 ZINC000077470003 177272141 /nfs/dbraw/zinc/27/21/41/177272141.db2.gz JPBDMAGFLSEKCY-UHFFFAOYSA-N 1 0 254.333 2.912 50 0 CFAARO CCC[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccsc1 ZINC000048071010 420500940 /nfs/dbraw/zinc/50/09/40/420500940.db2.gz RQLQRCDFNASVGX-LBPRGKRZSA-N 1 0 268.426 2.827 50 0 CFAARO [NH3+][C@H]1CCC[C@@H](c2ncnn2CCc2ccccc2)C1 ZINC000827541540 782036183 /nfs/dbraw/zinc/03/61/83/782036183.db2.gz LDFADNXDRSAEIG-CABCVRRESA-N 1 0 270.380 2.506 50 0 CFAARO CCOC(=O)C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000000279875 259999426 /nfs/dbraw/zinc/99/94/26/259999426.db2.gz VKDBEGHCCOXYLD-OCCSQVGLSA-N 1 0 253.386 2.840 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C[C@@H]1C ZINC000097146590 287707010 /nfs/dbraw/zinc/70/70/10/287707010.db2.gz CAYRTYGZROLKMR-FRRDWIJNSA-N 1 0 275.458 2.614 50 0 CFAARO COc1ccc(C[C@H]2[NH2+]CCc3cc(O)c(OC)cc32)cc1 ZINC000003847479 274111648 /nfs/dbraw/zinc/11/16/48/274111648.db2.gz HIMHLENXDBHLCU-MRXNPFEDSA-N 1 0 299.370 2.839 50 0 in-vivo CFAARO C[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000007787649 274290414 /nfs/dbraw/zinc/29/04/14/274290414.db2.gz YLLDNFBWFYNMME-RHSMWYFYSA-N 1 0 286.419 2.912 50 0 CFAARO Clc1ccc2c(c1)nccc2N1CCC[NH2+]CC1 ZINC000003716216 274882698 /nfs/dbraw/zinc/88/26/98/274882698.db2.gz ACGOVCPNPCHPKW-UHFFFAOYSA-N 1 0 261.756 2.688 50 0 CFAARO c1ccc2c(c1)N=C(N1CC[NH2+]CC1)c1ccccc1O2 ZINC000003883032 275070717 /nfs/dbraw/zinc/07/07/17/275070717.db2.gz KVGUXITYUGRGRV-UHFFFAOYSA-N 1 0 279.343 2.776 50 0 CFAARO Brc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000004914949 275369002 /nfs/dbraw/zinc/36/90/02/275369002.db2.gz JRWOJNDXXAKMTK-JTQLQIEISA-N 1 0 294.152 2.924 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000084241058 275539691 /nfs/dbraw/zinc/53/96/91/275539691.db2.gz VMICHKFPRGJVKJ-GFCCVEGCSA-N 1 0 287.411 2.571 50 0 CFAARO CC1=CC[C@@H]2C[N@@H+](Cc3nncn3C(C)C)C[C@@H]2C1 ZINC000252483595 276183455 /nfs/dbraw/zinc/18/34/55/276183455.db2.gz FFTAJKFHCVMDSC-KGLIPLIRSA-N 1 0 260.385 2.647 50 0 CFAARO CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@@H](C)[N@H+](C)C[C@H]2C ZINC000245232372 276203924 /nfs/dbraw/zinc/20/39/24/276203924.db2.gz URLGZASRDBGECB-MMYVAXCBSA-N 1 0 289.379 2.515 50 0 CFAARO CCOC(=O)c1c(N)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000000060293 276296801 /nfs/dbraw/zinc/29/68/01/276296801.db2.gz HMDPWCUQODNEGV-UHFFFAOYSA-N 1 0 282.409 2.666 50 0 CFAARO CCc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000004741622 276673783 /nfs/dbraw/zinc/67/37/83/276673783.db2.gz NECLLPGGFZTLRT-HNNXBMFYSA-N 1 0 291.358 2.886 50 0 CFAARO C[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000016579875 277030275 /nfs/dbraw/zinc/03/02/75/277030275.db2.gz ROZNAXSVUQGXNJ-UHFFFAOYSA-N 1 0 292.448 2.841 50 0 CFAARO C[NH2+]Cc1ccccc1-c1cc(C(F)(F)F)nn1C ZINC000012370704 277034102 /nfs/dbraw/zinc/03/41/02/277034102.db2.gz OTPQTKMWNNGSEX-UHFFFAOYSA-N 1 0 269.270 2.825 50 0 CFAARO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000089729141 277324254 /nfs/dbraw/zinc/32/42/54/277324254.db2.gz SPCUABRTKVMLCL-KBPBESRZSA-N 1 0 252.402 2.720 50 0 CFAARO CC(C)C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012058376 277334325 /nfs/dbraw/zinc/33/43/25/277334325.db2.gz QABVNSSMKYPCMR-CQSZACIVSA-N 1 0 266.429 2.946 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)cc1 ZINC000069368915 277896678 /nfs/dbraw/zinc/89/66/78/277896678.db2.gz RPJRKXDJOATQPW-QWHCGFSZSA-N 1 0 259.353 2.631 50 0 CFAARO COc1cccc2c1CC[N@H+](Cc1cc[nH]c1)CC2 ZINC000194572065 278029264 /nfs/dbraw/zinc/02/92/64/278029264.db2.gz QSICJAWXQVNYHO-UHFFFAOYSA-N 1 0 256.349 2.624 50 0 CFAARO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCCCC1 ZINC000065615805 278266895 /nfs/dbraw/zinc/26/68/95/278266895.db2.gz NWQOBGHKWLWLEL-ZNMIVQPWSA-N 1 0 295.471 2.985 50 0 CFAARO C[C@@H](CO)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000089704076 278290788 /nfs/dbraw/zinc/29/07/88/278290788.db2.gz XQTOXBOAMWVUJO-WRWORJQWSA-N 1 0 288.160 2.546 50 0 CFAARO C[C@@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1 ZINC000000005626 278408608 /nfs/dbraw/zinc/40/86/08/278408608.db2.gz KSMAGQUYOIHWFS-SSDOTTSWSA-N 1 0 259.136 2.762 50 0 world CFAARO Cc1cnc(C[N@H+](C[C@H]2CCCO2)C2CCCC2)cn1 ZINC000076089535 279011435 /nfs/dbraw/zinc/01/14/35/279011435.db2.gz SETQRRLEVZAYET-MRXNPFEDSA-N 1 0 275.396 2.709 50 0 CFAARO C[C@@H]1c2cc(F)ccc2CC[N@H+]1CCn1cccn1 ZINC000299762577 279131179 /nfs/dbraw/zinc/13/11/79/279131179.db2.gz NVMIAADEWWJNAP-GFCCVEGCSA-N 1 0 259.328 2.642 50 0 CFAARO C[C@@H]1c2cccn2CC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000190175001 279140769 /nfs/dbraw/zinc/14/07/69/279140769.db2.gz AEHYPEWACMVHSG-CQSZACIVSA-N 1 0 290.407 2.798 50 0 CFAARO CC(C)C[C@H]1CCCC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC000095452731 279207248 /nfs/dbraw/zinc/20/72/48/279207248.db2.gz NVKCELXQVXLEHX-CQSZACIVSA-N 1 0 283.460 2.985 50 0 CFAARO C[C@H]1Cc2ccccc2N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000094571926 280029744 /nfs/dbraw/zinc/02/97/44/280029744.db2.gz BPUIAXVVIDKJGS-NSHDSACASA-N 1 0 270.332 2.577 50 0 CFAARO Cc1cc(C(F)(F)F)cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)n1 ZINC000092046262 280376507 /nfs/dbraw/zinc/37/65/07/280376507.db2.gz HVMDKLGAZIKWCT-NEPJUHHUSA-N 1 0 285.313 2.582 50 0 CFAARO O=c1c2sccc2ccn1CC[NH+]1CCCCC1 ZINC000193780191 280392800 /nfs/dbraw/zinc/39/28/00/280392800.db2.gz DHVBMLQBUSHYQA-UHFFFAOYSA-N 1 0 262.378 2.549 50 0 CFAARO Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000089585149 280415249 /nfs/dbraw/zinc/41/52/49/280415249.db2.gz FHVLQKQBMXRBOH-CVEARBPZSA-N 1 0 274.408 2.906 50 0 CFAARO CC[C@@H]1c2ccsc2CCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000065440461 280618846 /nfs/dbraw/zinc/61/88/46/280618846.db2.gz WIVBHDFVFRJNKY-WCQYABFASA-N 1 0 295.452 2.717 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000063022345 280763394 /nfs/dbraw/zinc/76/33/94/280763394.db2.gz JSSYDNTYTZTBEW-GFCCVEGCSA-N 1 0 266.772 2.602 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CC1 ZINC000043769753 281128083 /nfs/dbraw/zinc/12/80/83/281128083.db2.gz KJALNEGZZLQEGT-GDBMZVCRSA-N 1 0 270.376 2.539 50 0 CFAARO Cc1ccc2cccc(C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])c2n1 ZINC000237426279 281143521 /nfs/dbraw/zinc/14/35/21/281143521.db2.gz OTSRTFFSCZDPQB-MLGOLLRUSA-N 1 0 297.402 2.743 50 0 CFAARO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nn1C ZINC000426370242 293141756 /nfs/dbraw/zinc/14/17/56/293141756.db2.gz WTMODPZYZKUNRW-GFCCVEGCSA-N 1 0 270.380 2.947 50 0 CFAARO Cc1ccccc1C1(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000377524423 302084811 /nfs/dbraw/zinc/08/48/11/302084811.db2.gz NPXUDCVBJJNHAT-SFHVURJKSA-N 1 0 298.430 2.629 50 0 CFAARO Cc1ccccc1C1(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000377524421 302086073 /nfs/dbraw/zinc/08/60/73/302086073.db2.gz NPXUDCVBJJNHAT-GOSISDBHSA-N 1 0 298.430 2.629 50 0 CFAARO Cc1ccccc1CN(CC[NH+](C)C)C(=O)c1ccccn1 ZINC000055369485 302098665 /nfs/dbraw/zinc/09/86/65/302098665.db2.gz MBPDLARDUQPJSE-UHFFFAOYSA-N 1 0 297.402 2.594 50 0 CFAARO CC(C)[C@@H](CNc1ccc2ccccc2n1)[NH+](C)C ZINC000534578206 328310830 /nfs/dbraw/zinc/31/08/30/328310830.db2.gz JWXFOVYPFRFBOW-OAHLLOKOSA-N 1 0 257.381 2.655 50 0 CFAARO COc1ccc2oc(C[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000534581181 328311689 /nfs/dbraw/zinc/31/16/89/328311689.db2.gz FLRVSIVPXMABRM-SNVBAGLBSA-N 1 0 278.377 2.822 50 0 CFAARO Clc1ccccc1-c1cc(CN[C@H]2CCOC2)no1 ZINC000534589610 328317537 /nfs/dbraw/zinc/31/75/37/328317537.db2.gz BRIZCZWJXPBYPI-JTQLQIEISA-N 1 0 278.739 2.874 50 0 CFAARO CC(C)[C@@H]([NH2+]C1CCCCCC1)c1ncnn1C ZINC000534634336 328333216 /nfs/dbraw/zinc/33/32/16/328333216.db2.gz UBDZTKQHHQRBHW-CYBMUJFWSA-N 1 0 250.390 2.825 50 0 CFAARO O=C1CC[C@H]([NH2+]C2(c3ccccc3Cl)CC2)CCN1 ZINC000534648624 328343512 /nfs/dbraw/zinc/34/35/12/328343512.db2.gz LDOYNXMWWAXABY-NSHDSACASA-N 1 0 278.783 2.587 50 0 CFAARO CCC[C@H](CNC(=O)c1cc(F)cc(Cl)c1)[NH+](C)C ZINC000534654468 328339142 /nfs/dbraw/zinc/33/91/42/328339142.db2.gz OEZBMRVXXDEXRP-CYBMUJFWSA-N 1 0 286.778 2.939 50 0 CFAARO CCn1nccc1-c1ccc(C[NH+]2CCCCC2)cn1 ZINC000534655184 328339448 /nfs/dbraw/zinc/33/94/48/328339448.db2.gz WASBJBHDGWFPLF-UHFFFAOYSA-N 1 0 270.380 2.951 50 0 CFAARO C[C@@H](Cn1ccnc1)[NH2+]CCCOC1CCCCC1 ZINC000534649281 328343972 /nfs/dbraw/zinc/34/39/72/328343972.db2.gz DJMRKSHZBDLVKX-AWEZNQCLSA-N 1 0 265.401 2.601 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(CCO)CCOC1)[C@@H](C)C2 ZINC000195553711 324108414 /nfs/dbraw/zinc/10/84/14/324108414.db2.gz VZBQTWKQEBDVAN-BMGDILEWSA-N 1 0 289.419 2.607 50 0 CFAARO C[C@H](CC[NH2+][C@H]1CCCOc2cc(F)ccc21)[S@@](C)=O ZINC000195557730 324109778 /nfs/dbraw/zinc/10/97/78/324109778.db2.gz AHSZKZKCHCOLFP-STYXZAMGSA-N 1 0 299.411 2.786 50 0 CFAARO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000131267278 328448924 /nfs/dbraw/zinc/44/89/24/328448924.db2.gz DYVSCZARASJHCH-GFCCVEGCSA-N 1 0 275.421 2.981 50 0 CFAARO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC1CCCC1 ZINC000069623668 327100647 /nfs/dbraw/zinc/10/06/47/327100647.db2.gz DAOSQWPKIULPCB-LBPRGKRZSA-N 1 0 296.436 2.517 50 0 CFAARO OC[C@@H]1CCC[N@H+](CCCNc2ccc3ccccc3n2)C1 ZINC000828711239 782102992 /nfs/dbraw/zinc/10/29/92/782102992.db2.gz TXRHCBDFPUQMFW-OAHLLOKOSA-N 1 0 299.418 2.741 50 0 CFAARO CC1(C)C[C@H](O)CC[N@H+](CCCc2ccco2)C1 ZINC000828629970 782099776 /nfs/dbraw/zinc/09/97/76/782099776.db2.gz ADUOFALNEDQPLM-CYBMUJFWSA-N 1 0 251.370 2.695 50 0 CFAARO CC1=C(CN2CCn3nc(CO)cc3C2)C(C)(C)CCC1 ZINC000828839151 782110892 /nfs/dbraw/zinc/11/08/92/782110892.db2.gz SHPZMYWEKVVYAU-UHFFFAOYSA-N 1 0 289.423 2.718 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000299740453 500652289 /nfs/dbraw/zinc/65/22/89/500652289.db2.gz ZZCCDGAYMGUORZ-QMTHXVAHSA-N 1 0 284.762 2.561 50 0 CFAARO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc(C2CC2)n1 ZINC000096407641 534002130 /nfs/dbraw/zinc/00/21/30/534002130.db2.gz UUDYFMYWVPSFCC-ZIAGYGMSSA-N 1 0 272.396 2.701 50 0 CFAARO CC(C)Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000338625661 519438893 /nfs/dbraw/zinc/43/88/93/519438893.db2.gz JHUWDHNJNAPYEH-MRXNPFEDSA-N 1 0 265.372 2.791 50 0 CFAARO C[NH2+]Cc1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000050478920 522104783 /nfs/dbraw/zinc/10/47/83/522104783.db2.gz OIMBIDINEODIET-UHFFFAOYSA-N 1 0 266.142 2.559 50 0 CFAARO CCc1nccc(CN(C)Cc2ccccc2C[NH+](C)C)n1 ZINC000215026092 522575479 /nfs/dbraw/zinc/57/54/79/522575479.db2.gz TUCCFHQQQKTSQV-UHFFFAOYSA-N 1 0 298.434 2.733 50 0 CFAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCCO1 ZINC000245866689 522753923 /nfs/dbraw/zinc/75/39/23/522753923.db2.gz JYYNKKXZFLITAG-MELADBBJSA-N 1 0 298.427 2.543 50 0 CFAARO Cc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000052097869 524432985 /nfs/dbraw/zinc/43/29/85/524432985.db2.gz OVUYBQXRTXXBCH-KRWDZBQOSA-N 1 0 255.361 2.992 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)nc2ccccc12 ZINC000156200922 526247580 /nfs/dbraw/zinc/24/75/80/526247580.db2.gz QDJLOBMFQUIMSM-ZIAGYGMSSA-N 1 0 297.402 2.743 50 0 CFAARO Cc1nc(C2CC[NH2+]CC2)cc(N2CCCCCC2)n1 ZINC000067982009 526784691 /nfs/dbraw/zinc/78/46/91/526784691.db2.gz UOAWGPYCKRYSKC-UHFFFAOYSA-N 1 0 274.412 2.632 50 0 CFAARO CCC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccn1 ZINC000225807778 527981250 /nfs/dbraw/zinc/98/12/50/527981250.db2.gz IXHZDLVPTWYMTB-CABCVRRESA-N 1 0 289.423 2.566 50 0 CFAARO CCOc1ccc(Cl)cc1CC[NH2+][C@H]1CCOC1 ZINC000096484940 528473666 /nfs/dbraw/zinc/47/36/66/528473666.db2.gz BCSPFGLAYXTDIX-ZDUSSCGKSA-N 1 0 269.772 2.660 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000096439511 528816590 /nfs/dbraw/zinc/81/65/90/528816590.db2.gz KDGLQLXXOFLQOL-IYBDPMFKSA-N 1 0 293.455 2.714 50 0 CFAARO CN1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000098020455 545572130 /nfs/dbraw/zinc/57/21/30/545572130.db2.gz SFKPDBAQGVQXRS-HNNXBMFYSA-N 1 0 260.381 2.584 50 0 CFAARO Cc1ccccc1Cn1c[n+](Cc2ccccc2C)cn1 ZINC000252507935 566832594 /nfs/dbraw/zinc/83/25/94/566832594.db2.gz WXSNANQYDCJCDM-UHFFFAOYSA-N 1 0 278.379 2.884 50 0 CFAARO CCCn1nccc1-c1ccc(C[NH+]2CCCC2)cn1 ZINC000426359612 566987961 /nfs/dbraw/zinc/98/79/61/566987961.db2.gz JVSOUCKKNMXEEZ-UHFFFAOYSA-N 1 0 270.380 2.951 50 0 CFAARO Cc1cc2c(cc1C[N@H+](C)CCc1ccncc1)OCCO2 ZINC000216072010 570304884 /nfs/dbraw/zinc/30/48/84/570304884.db2.gz NLQPJJVSFJMIPH-UHFFFAOYSA-N 1 0 298.386 2.836 50 0 CFAARO CCc1ccc(Cn2nc(-c3ccco3)nc2C[NH2+]C)cc1 ZINC000952970012 615674337 /nfs/dbraw/zinc/67/43/37/615674337.db2.gz LCPVZNORMWFJTC-UHFFFAOYSA-N 1 0 296.374 2.868 50 0 CFAARO Cc1ccc(OCCCCCC[NH2+]CCO)cc1C ZINC000002898676 618083747 /nfs/dbraw/zinc/08/37/47/618083747.db2.gz QXCJFOOSPHKKPI-UHFFFAOYSA-N 1 0 265.397 2.825 50 0 CFAARO CCc1ccccc1OCCCCCC[NH2+]CCO ZINC000002900387 618086107 /nfs/dbraw/zinc/08/61/07/618086107.db2.gz ZBMXYBKBNKQJGR-UHFFFAOYSA-N 1 0 265.397 2.770 50 0 CFAARO Cc1cc(Cl)cc(C)c1OCCCC[NH2+]CCO ZINC000002933057 618096191 /nfs/dbraw/zinc/09/61/91/618096191.db2.gz BRZUMSIGKRIAJT-UHFFFAOYSA-N 1 0 271.788 2.698 50 0 CFAARO Cn1cncc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000177067836 618277926 /nfs/dbraw/zinc/27/79/26/618277926.db2.gz GMZVDOLPQAWBCM-UHFFFAOYSA-N 1 0 299.418 2.849 50 0 CFAARO C[C@H](C[C@@H](C)SC1CCCCC1)[NH2+]C1(C(N)=O)CC1 ZINC000888096125 619131808 /nfs/dbraw/zinc/13/18/08/619131808.db2.gz LBSBOZJHQQJHOI-VXGBXAGGSA-N 1 0 284.469 2.827 50 0 CFAARO OCC[C@@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1 ZINC000888098965 619132476 /nfs/dbraw/zinc/13/24/76/619132476.db2.gz RZDXOOJZIKRJHG-PQEBFOHHSA-N 1 0 257.377 2.707 50 0 CFAARO C[NH+](C)Cc1cccc(-c2cnc(N)nc2C(F)(F)F)c1 ZINC000871010843 623573949 /nfs/dbraw/zinc/57/39/49/623573949.db2.gz JUYDUFCUXJGNJN-UHFFFAOYSA-N 1 0 296.296 2.806 50 0 CFAARO Cc1ccc(-c2noc([C@@H]3CN(C)C[C@H](C)O3)n2)cc1F ZINC000874434705 624453351 /nfs/dbraw/zinc/45/33/51/624453351.db2.gz AQKUJKMRXDAMHF-GWCFXTLKSA-N 1 0 291.326 2.576 50 0 CFAARO O=C(NC[C@H]1CCC[N@@H+](CCCC(F)(F)F)C1)C1CC1 ZINC000952967670 626114577 /nfs/dbraw/zinc/11/45/77/626114577.db2.gz CGBVNNHNRBAJFH-LLVKDONJSA-N 1 0 292.345 2.567 50 0 CFAARO C[NH+](C)CCCSc1cncc(Br)c1 ZINC000757211950 630884009 /nfs/dbraw/zinc/88/40/09/630884009.db2.gz KZWOIOQWJGOVBB-UHFFFAOYSA-N 1 0 275.215 2.888 50 0 CFAARO C[NH+]1CCC(N[C@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000863983154 637832927 /nfs/dbraw/zinc/83/29/27/637832927.db2.gz CTLSHDMWVIZOHR-CVEARBPZSA-N 1 0 262.372 2.696 50 0 CFAARO CN1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000863984643 637833351 /nfs/dbraw/zinc/83/33/51/637833351.db2.gz XNMONJPKXKNBTO-UHFFFAOYSA-N 1 0 276.449 2.994 50 0 CFAARO CC(C)(CCO)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000864094428 637874322 /nfs/dbraw/zinc/87/43/22/637874322.db2.gz VCUOYKLXRISKGC-UHFFFAOYSA-N 1 0 282.771 2.979 50 0 CFAARO CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000864094586 637874603 /nfs/dbraw/zinc/87/46/03/637874603.db2.gz ZFNQDLBCGXCPLI-VIFPVBQESA-N 1 0 273.808 2.512 50 0 CFAARO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000113450825 647825383 /nfs/dbraw/zinc/82/53/83/647825383.db2.gz UGLIYHPFGZPSHF-AWEZNQCLSA-N 1 0 286.419 2.589 50 0 CFAARO COc1cccc(C[C@@H]2C[N@@H+](C3CCCC3)CCO2)c1 ZINC000019339818 651289223 /nfs/dbraw/zinc/28/92/23/651289223.db2.gz OIMIAQXGTASMIN-QGZVFWFLSA-N 1 0 275.392 2.881 50 0 CFAARO COc1cccc2c(C)cc(N3CCC[N@H+](C)CC3)nc12 ZINC000023633907 775529564 /nfs/dbraw/zinc/52/95/64/775529564.db2.gz PEVWMKZIBKGNOF-UHFFFAOYSA-N 1 0 285.391 2.694 50 0 CFAARO O=C1CC[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)N1 ZINC000675016256 775983348 /nfs/dbraw/zinc/98/33/48/775983348.db2.gz BOEOVPGRPVBBET-CQSZACIVSA-N 1 0 298.308 2.560 50 0 CFAARO Fc1ccc(-c2nc(CC[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000675024126 775986194 /nfs/dbraw/zinc/98/61/94/775986194.db2.gz DFDOCCFRCDYESS-LLVKDONJSA-N 1 0 275.327 2.808 50 0 CFAARO COC(C)(C)CCC[C@H](C)CC[NH2+]C[C@H]1COCCO1 ZINC000032593128 779073423 /nfs/dbraw/zinc/07/34/23/779073423.db2.gz LAWRPDCZPOXVBA-GJZGRUSLSA-N 1 0 287.444 2.613 50 0 CFAARO c1nc([C@@H]2CCCC[NH2+]2)n(-c2cccc3c2CCC3)n1 ZINC000820414995 781867001 /nfs/dbraw/zinc/86/70/01/781867001.db2.gz UDAHEXAABHPYQL-AWEZNQCLSA-N 1 0 268.364 2.571 50 0 CFAARO c1ccc2c(c1)CC([NH2+]Cc1[nH]nc3c1CCCCC3)C2 ZINC000820414981 781867240 /nfs/dbraw/zinc/86/72/40/781867240.db2.gz QKVDPHNUKASSIA-UHFFFAOYSA-N 1 0 281.403 2.936 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000096444936 230374255 /nfs/dbraw/zinc/37/42/55/230374255.db2.gz MRCUNSDWLKCRET-MEDUHNTESA-N 1 0 280.412 2.958 50 0 CFAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000096479033 230380034 /nfs/dbraw/zinc/38/00/34/230380034.db2.gz LJCGFAIPDKYZIO-STQMWFEESA-N 1 0 283.437 2.591 50 0 CFAARO O=S1(=O)CCC[C@H]([NH2+]C(C2CCCC2)C2CCCC2)C1 ZINC000096491662 230382781 /nfs/dbraw/zinc/38/27/81/230382781.db2.gz PGMKIMKZEUCZEO-HNNXBMFYSA-N 1 0 299.480 2.902 50 0 CFAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(CO)c2)cc1 ZINC000096493933 230383478 /nfs/dbraw/zinc/38/34/78/230383478.db2.gz RQJBDZCBZMYZIC-KBXCAEBGSA-N 1 0 285.387 2.872 50 0 CFAARO Cc1cc(C[NH2+]CCn2cnnc2C2CC2)ccc1Cl ZINC000096500125 230384264 /nfs/dbraw/zinc/38/42/64/230384264.db2.gz USJFNTHIPYYGSR-UHFFFAOYSA-N 1 0 290.798 2.907 50 0 CFAARO C[C@H](c1ccc(-c2cncc(N(C)C)n2)cc1)[NH+](C)C ZINC000097657279 230386917 /nfs/dbraw/zinc/38/69/17/230386917.db2.gz SJLMPFCFPGXQRT-GFCCVEGCSA-N 1 0 270.380 2.832 50 0 CFAARO COc1ccc2c(c1)OC[C@H](Cc1ccc(N)[nH+]c1C)C2 ZINC000095499423 185000114 /nfs/dbraw/zinc/00/01/14/185000114.db2.gz ZPHUHIZAMBVESK-GFCCVEGCSA-N 1 0 284.359 2.775 50 0 CFAARO Cc1nn(C)c2nc(NCCCC[NH+]3CCCC3)sc12 ZINC000095506615 185000692 /nfs/dbraw/zinc/00/06/92/185000692.db2.gz AHCNJZVPUBNJAY-UHFFFAOYSA-N 1 0 293.440 2.626 50 0 CFAARO CC[NH+]1CCC(CC(=O)N(C)[C@H](C)c2cncs2)CC1 ZINC000095522099 185002913 /nfs/dbraw/zinc/00/29/13/185002913.db2.gz KKFPOHNWDRCLHH-GFCCVEGCSA-N 1 0 295.452 2.785 50 0 CFAARO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(C)c(C)c2)C1(C)C ZINC000170602235 230395272 /nfs/dbraw/zinc/39/52/72/230395272.db2.gz XQTUZDYBOSXPBN-WMZOPIPTSA-N 1 0 291.435 2.959 50 0 CFAARO Cc1cnc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)s1 ZINC000095963814 185045068 /nfs/dbraw/zinc/04/50/68/185045068.db2.gz MFMREZWZWAZBIN-LLVKDONJSA-N 1 0 289.404 2.958 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)s1 ZINC000095968052 185046632 /nfs/dbraw/zinc/04/66/32/185046632.db2.gz JGDWDAMGKLPJSA-STQMWFEESA-N 1 0 269.410 2.903 50 0 CFAARO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000095967600 185046891 /nfs/dbraw/zinc/04/68/91/185046891.db2.gz FIAPXBZRBZGSIN-LMWSTFAQSA-N 1 0 264.369 2.686 50 0 CFAARO CCS[C@@H]1CC[C@]1(O)C[NH2+][C@@H](C)c1ccccc1OC ZINC000095968911 185047479 /nfs/dbraw/zinc/04/74/79/185047479.db2.gz NIHUEJFMZJBJOK-MAZHCROVSA-N 1 0 295.448 2.992 50 0 CFAARO C[C@H](CO)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000095968672 185047771 /nfs/dbraw/zinc/04/77/71/185047771.db2.gz ZYQHZJVPPXAIAO-BDAKNGLRSA-N 1 0 263.259 2.617 50 0 CFAARO C[C@H](CC(N)=O)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000095969235 185048127 /nfs/dbraw/zinc/04/81/27/185048127.db2.gz MMWXUHSICHQZJP-BDJLRTHQSA-N 1 0 278.371 2.911 50 0 CFAARO C[C@@H](CC(N)=O)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000095969236 185048174 /nfs/dbraw/zinc/04/81/74/185048174.db2.gz MMWXUHSICHQZJP-ZBEGNZNMSA-N 1 0 278.371 2.911 50 0 CFAARO Cc1nc(C2CC[NH+](CCSCC(C)C)CC2)no1 ZINC000095976131 185051138 /nfs/dbraw/zinc/05/11/38/185051138.db2.gz HTWDRDAGRMNFCW-UHFFFAOYSA-N 1 0 283.441 2.947 50 0 CFAARO O=C(Nc1ccsc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000095984831 185054759 /nfs/dbraw/zinc/05/47/59/185054759.db2.gz ZIVUIAYMCLWVOJ-GFCCVEGCSA-N 1 0 279.409 2.698 50 0 CFAARO CC(C)CO[C@@H]1C[C@@H]([N@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009224 185064260 /nfs/dbraw/zinc/06/42/60/185064260.db2.gz QEYALEIOZVTYGS-HUUCEWRRSA-N 1 0 296.455 2.556 50 0 CFAARO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c2ccccc2n1 ZINC000124827959 187156216 /nfs/dbraw/zinc/15/62/16/187156216.db2.gz CKOOAPUVYVKUTI-QWHCGFSZSA-N 1 0 286.375 2.758 50 0 CFAARO C[NH2+][C@@H](C)c1nc(-c2ccncc2)nn1-c1ccccc1 ZINC000096135759 185104503 /nfs/dbraw/zinc/10/45/03/185104503.db2.gz UIPPUZAXEHSGAH-LBPRGKRZSA-N 1 0 279.347 2.610 50 0 CFAARO COc1ncc(-c2cccc([C@@H](C)[NH+](C)C)c2)c(OC)n1 ZINC000096140252 185105776 /nfs/dbraw/zinc/10/57/76/185105776.db2.gz HHHYDBYZMHMAIC-LLVKDONJSA-N 1 0 287.363 2.783 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000096876700 185119445 /nfs/dbraw/zinc/11/94/45/185119445.db2.gz GAAJICBIRXYVSG-HNNXBMFYSA-N 1 0 276.424 2.702 50 0 CFAARO CC[C@@H](C)[C@@H](C)[NH2+]CCC1CCN(C(C)=O)CC1 ZINC000096479231 529393665 /nfs/dbraw/zinc/39/36/65/529393665.db2.gz MJEHUZBEUSBKCA-CHWSQXEVSA-N 1 0 254.418 2.659 50 0 CFAARO CC[C@](C)([NH2+]CCNC(=O)OC(C)(C)C)c1nccs1 ZINC000097002595 185150622 /nfs/dbraw/zinc/15/06/22/185150622.db2.gz XROMSTCNSMEQPF-AWEZNQCLSA-N 1 0 299.440 2.883 50 0 CFAARO CCCn1nc(-c2ccco2)nc1[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1[NH3+] ZINC000823033128 781919976 /nfs/dbraw/zinc/91/99/76/781919976.db2.gz QPHAKANUXZIQND-WVWOOGAGSA-N 1 0 284.363 2.565 50 0 CFAARO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000097033251 185155779 /nfs/dbraw/zinc/15/57/79/185155779.db2.gz LMRCFDATHYWCNR-CQSZACIVSA-N 1 0 278.371 2.707 50 0 CFAARO CC[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000097033773 185156121 /nfs/dbraw/zinc/15/61/21/185156121.db2.gz JYYNKKXZFLITAG-RDBSUJKOSA-N 1 0 298.427 2.543 50 0 CFAARO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ncnn1C ZINC000097034603 185156874 /nfs/dbraw/zinc/15/68/74/185156874.db2.gz GFOFCCXODBMZON-ZDUSSCGKSA-N 1 0 272.396 2.661 50 0 CFAARO CCOc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000097034447 185157187 /nfs/dbraw/zinc/15/71/87/185157187.db2.gz WVKSCYXCZIRZBU-IMJJTQAJSA-N 1 0 275.392 2.988 50 0 CFAARO O=C(OCc1cccs1)c1ccn2c[nH+]cc2c1 ZINC000097034283 185157315 /nfs/dbraw/zinc/15/73/15/185157315.db2.gz FVJUDMOCSIHEPQ-UHFFFAOYSA-N 1 0 258.302 2.753 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]CCc2nc(C)no2)C12CCCCC2 ZINC000097034678 185157476 /nfs/dbraw/zinc/15/74/76/185157476.db2.gz NIMZXWDQUZSUNU-ZIAGYGMSSA-N 1 0 293.411 2.638 50 0 CFAARO CC(=O)Nc1ccc(C)c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000097034029 185157669 /nfs/dbraw/zinc/15/76/69/185157669.db2.gz MRBWVQCCSNIABF-SWLSCSKDSA-N 1 0 287.407 2.991 50 0 CFAARO Cc1ncc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)s1 ZINC000095991153 282153951 /nfs/dbraw/zinc/15/39/51/282153951.db2.gz SIUHTAGCHSBIRW-GLWUULTISA-N 1 0 296.436 2.863 50 0 CFAARO CCn1ccnc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000220650815 529567750 /nfs/dbraw/zinc/56/77/50/529567750.db2.gz NIBZRMCLIYJGHU-QGZVFWFLSA-N 1 0 298.434 2.609 50 0 CFAARO O=C([C@@H]1CCC[NH2+]1)N1CC2(CCCC2)c2c1cccc2F ZINC000070813917 346914182 /nfs/dbraw/zinc/91/41/82/346914182.db2.gz GRPCGLZTXJJCOA-ZDUSSCGKSA-N 1 0 288.366 2.736 50 0 CFAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072277651 346925108 /nfs/dbraw/zinc/92/51/08/346925108.db2.gz QHJVVSCIOFLWDT-OCCSQVGLSA-N 1 0 256.353 2.745 50 0 CFAARO Cc1nn(C)c(C)c1C[N@@H+]1CCCc2occc2C1 ZINC000288986818 282259630 /nfs/dbraw/zinc/25/96/30/282259630.db2.gz ZSAYQMGYUJQVSZ-UHFFFAOYSA-N 1 0 259.353 2.578 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069328483 539373180 /nfs/dbraw/zinc/37/31/80/539373180.db2.gz GJKZOCFGUZQGQU-SJORKVTESA-N 1 0 272.392 2.662 50 0 CFAARO C[N@H+](C[C@@H]1CCCCO1)[C@@H](CCO)c1ccccc1 ZINC000096441583 529945890 /nfs/dbraw/zinc/94/58/90/529945890.db2.gz GFANMBXRTJCASX-HOTGVXAUSA-N 1 0 263.381 2.611 50 0 CFAARO C[C@](O)(C[NH2+]Cc1cccc2c[nH]nc21)C1CCCC1 ZINC000084024725 178772318 /nfs/dbraw/zinc/77/23/18/178772318.db2.gz WUTCRHSCEVKPNX-INIZCTEOSA-N 1 0 273.380 2.594 50 0 CFAARO CNC(=O)C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000097084267 185524815 /nfs/dbraw/zinc/52/48/15/185524815.db2.gz MIOVOPUGWNHGFP-ZDUSSCGKSA-N 1 0 292.398 2.605 50 0 CFAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1 ZINC000097145889 185548381 /nfs/dbraw/zinc/54/83/81/185548381.db2.gz XGFJDONUHMCOAV-ZIAGYGMSSA-N 1 0 291.395 2.617 50 0 CFAARO CSc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000097292452 185579406 /nfs/dbraw/zinc/57/94/06/185579406.db2.gz XZPFDRKMFQBKFW-UHFFFAOYSA-N 1 0 278.421 2.575 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCN2c3ccccc3CC2=O)[C@H](C)C1 ZINC000097373247 185591685 /nfs/dbraw/zinc/59/16/85/185591685.db2.gz LNVHOBJFTUGIKN-IIAWOOMASA-N 1 0 286.419 2.990 50 0 CFAARO Cc1ccc(N)cc1NC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000295121632 199356557 /nfs/dbraw/zinc/35/65/57/199356557.db2.gz XLMWRWSOYSXIAB-UHFFFAOYSA-N 1 0 295.386 2.518 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000299738732 539513036 /nfs/dbraw/zinc/51/30/36/539513036.db2.gz FSBDFSKPEQYASJ-ZDUSSCGKSA-N 1 0 288.391 2.571 50 0 CFAARO COc1ccc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)c(C)c1 ZINC000097547445 185625874 /nfs/dbraw/zinc/62/58/74/185625874.db2.gz VSCVBXWXIWVLBT-ZDUSSCGKSA-N 1 0 291.395 2.657 50 0 CFAARO C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000002498595 346207002 /nfs/dbraw/zinc/20/70/02/346207002.db2.gz ZDYVYGLUBXDKJC-SJORKVTESA-N 1 0 258.409 2.618 50 0 CFAARO Cc1ccccc1O[C@@H](C)CC[C@@H](C)[N@H+](C)CCO ZINC000022064884 346247334 /nfs/dbraw/zinc/24/73/34/346247334.db2.gz CCWAVEMRPJAESV-CABCVRRESA-N 1 0 265.397 2.855 50 0 CFAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078347 346248171 /nfs/dbraw/zinc/24/81/71/346248171.db2.gz DTUDASASKRVRRY-CMPLNLGQSA-N 1 0 299.212 2.711 50 0 CFAARO C[C@@H](Cc1ccccc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023279937 346252479 /nfs/dbraw/zinc/25/24/79/346252479.db2.gz RWXSTOGCNVPKTD-RWMBFGLXSA-N 1 0 251.345 2.866 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[NH2+]CCCc2ccccc2)c1 ZINC000034031831 346313787 /nfs/dbraw/zinc/31/37/87/346313787.db2.gz HEGFPYTUYMSACT-SFHVURJKSA-N 1 0 299.414 2.957 50 0 CFAARO c1csc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000039348996 346343499 /nfs/dbraw/zinc/34/34/99/346343499.db2.gz HKCIJFJXKPDDOG-HUUCEWRRSA-N 1 0 285.416 2.711 50 0 CFAARO O=C(C[NH+]1CCCCCC1)N1CCc2sccc2C1 ZINC000054844883 346577930 /nfs/dbraw/zinc/57/79/30/346577930.db2.gz ZPRGUAWOXNUHKZ-UHFFFAOYSA-N 1 0 278.421 2.509 50 0 CFAARO C[NH2+][C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000055421527 346588633 /nfs/dbraw/zinc/58/86/33/346588633.db2.gz JALVZCSPNUEEGN-LURJTMIESA-N 1 0 280.677 2.905 50 0 CFAARO c1coc(C[NH+]2CCC(c3nnc(C4CC4)[nH]3)CC2)c1 ZINC000065287301 346732901 /nfs/dbraw/zinc/73/29/01/346732901.db2.gz DFNNMTMKDQDIAC-UHFFFAOYSA-N 1 0 272.352 2.655 50 0 CFAARO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071441 347117789 /nfs/dbraw/zinc/11/77/89/347117789.db2.gz MNXXRKRFBYKUSJ-QWHCGFSZSA-N 1 0 286.485 2.897 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000076057281 347117827 /nfs/dbraw/zinc/11/78/27/347117827.db2.gz VCFCPRVLJNZDQT-BBRMVZONSA-N 1 0 299.418 2.905 50 0 CFAARO Clc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Cl ZINC000066088635 282511885 /nfs/dbraw/zinc/51/18/85/282511885.db2.gz YZWNTWQKLLVVTE-NSHDSACASA-N 1 0 268.147 2.952 50 0 CFAARO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccnc1 ZINC000078748947 347274325 /nfs/dbraw/zinc/27/43/25/347274325.db2.gz UMDFISOIFWLSKX-CYBMUJFWSA-N 1 0 268.360 2.910 50 0 CFAARO CS[C@H]1CCC[C@H]1[N@H+](C)Cc1cnc(C)cn1 ZINC000078947982 347281186 /nfs/dbraw/zinc/28/11/86/347281186.db2.gz VNIICUPKSUMGCH-OLZOCXBDSA-N 1 0 251.399 2.501 50 0 CFAARO c1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2ccccn2)cc1 ZINC000078988888 347283883 /nfs/dbraw/zinc/28/38/83/347283883.db2.gz QQECAZHKOLFYEN-JKSUJKDBSA-N 1 0 254.333 2.701 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@H](CO)c1ccccc1 ZINC000096027594 347700318 /nfs/dbraw/zinc/70/03/18/347700318.db2.gz DLQNFALCHYKSGE-QGZVFWFLSA-N 1 0 255.361 2.895 50 0 CFAARO c1ccc([C@@H](Cc2cnccn2)[NH+]2CCCC2)cc1 ZINC000096026925 347700618 /nfs/dbraw/zinc/70/06/18/347700618.db2.gz RHUANDKOIIKHRB-MRXNPFEDSA-N 1 0 253.349 2.856 50 0 CFAARO Cc1noc(C)c1[C@@H](C)NCCC[NH+]1CCCCC1 ZINC000097103381 347707163 /nfs/dbraw/zinc/70/71/63/347707163.db2.gz FIMLOHILGPWRMB-GFCCVEGCSA-N 1 0 265.401 2.818 50 0 CFAARO CC(C)Cn1nccc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000097231967 347707882 /nfs/dbraw/zinc/70/78/82/347707882.db2.gz QRFMJNXCCSCJFW-QWHCGFSZSA-N 1 0 262.401 2.576 50 0 CFAARO OCCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372118 347708758 /nfs/dbraw/zinc/70/87/58/347708758.db2.gz RXJMAFCUESBDGA-LBPRGKRZSA-N 1 0 273.298 2.877 50 0 CFAARO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000130123048 347868214 /nfs/dbraw/zinc/86/82/14/347868214.db2.gz LIMIVJNSWCALJD-SNVBAGLBSA-N 1 0 285.347 2.643 50 0 CFAARO CC(=O)NC1CCC([NH2+]C[C@@H](C)c2cccs2)CC1 ZINC000133017009 347888334 /nfs/dbraw/zinc/88/83/34/347888334.db2.gz BEMGBTMMXCJVKY-LMWSTFAQSA-N 1 0 280.437 2.889 50 0 CFAARO CCS[C@H]1CC[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000133100542 347890209 /nfs/dbraw/zinc/89/02/09/347890209.db2.gz BNVFAPZTWKTTDQ-CVSAEHQPSA-N 1 0 284.469 2.698 50 0 CFAARO CC(C)C1CCC([NH3+])(CNC(=O)NC(C)(C)C)CC1 ZINC000725255122 539586751 /nfs/dbraw/zinc/58/67/51/539586751.db2.gz SVVOMGIMNAJUSP-UHFFFAOYSA-N 1 0 269.433 2.628 50 0 CFAARO CC[C@@H]([NH2+]CCc1nnc[nH]1)c1cccc(Cl)c1F ZINC000161879294 348026936 /nfs/dbraw/zinc/02/69/36/348026936.db2.gz MVUKDHIUUIMIEW-LLVKDONJSA-N 1 0 282.750 2.881 50 0 CFAARO Cc1ccc2ncc(CNc3cc(C[NH+](C)C)ccn3)n2c1 ZINC000170592326 348055118 /nfs/dbraw/zinc/05/51/18/348055118.db2.gz RBOFTYOWZODHMD-UHFFFAOYSA-N 1 0 295.390 2.711 50 0 CFAARO CCc1nn(C)cc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000170606868 348056184 /nfs/dbraw/zinc/05/61/84/348056184.db2.gz AJJXNVUAHFGBSY-CXAGYDPISA-N 1 0 284.407 2.961 50 0 CFAARO C[N@H+](Cc1ccccc1-n1cccn1)[C@@H]1CCSC1 ZINC000130487000 539601337 /nfs/dbraw/zinc/60/13/37/539601337.db2.gz PWZQTWIGIHUYQD-CQSZACIVSA-N 1 0 273.405 2.810 50 0 CFAARO O=C(NC[C@@H]1CCC[NH2+]1)c1ccccc1Nc1ccccc1 ZINC000178725182 348120152 /nfs/dbraw/zinc/12/01/52/348120152.db2.gz GXHLTHCSGUWSGA-HNNXBMFYSA-N 1 0 295.386 2.912 50 0 CFAARO COC1(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CCOCC1 ZINC000183154911 348125976 /nfs/dbraw/zinc/12/59/76/348125976.db2.gz GBXXBNCFFVBWGK-MGPQQGTHSA-N 1 0 255.402 2.596 50 0 CFAARO CCc1ccc(NC(=O)N2CC[NH+]3CCC2CC3)cc1F ZINC000191562311 348138222 /nfs/dbraw/zinc/13/82/22/348138222.db2.gz BHGUSVXONOVVDZ-UHFFFAOYSA-N 1 0 291.370 2.700 50 0 CFAARO COC[C@@](C)(NCc1cccnc1OC)c1ccccc1 ZINC000193522550 348142723 /nfs/dbraw/zinc/14/27/23/348142723.db2.gz ZWVBCRQBJUPIKY-QGZVFWFLSA-N 1 0 286.375 2.742 50 0 CFAARO CC[C@H]([NH2+]C[C@@](C)(O)c1cnn(C)c1)c1ccccc1F ZINC000195553613 348146162 /nfs/dbraw/zinc/14/61/62/348146162.db2.gz IZVGYOJIBOBNFI-JKSUJKDBSA-N 1 0 291.370 2.508 50 0 CFAARO COC(C[N@@H+]1Cc2ccccc2SC[C@H]1C)OC ZINC000225453430 348177606 /nfs/dbraw/zinc/17/76/06/348177606.db2.gz VFWULGGXMHRALW-LLVKDONJSA-N 1 0 267.394 2.602 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000221339476 348171267 /nfs/dbraw/zinc/17/12/67/348171267.db2.gz RQXJMLJYZDTQFO-GDLVEWKHSA-N 1 0 259.440 2.864 50 0 CFAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229337575 348200885 /nfs/dbraw/zinc/20/08/85/348200885.db2.gz UXUSCXCCMLCGJF-GXTWGEPZSA-N 1 0 256.353 2.745 50 0 CFAARO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000230499241 348206110 /nfs/dbraw/zinc/20/61/10/348206110.db2.gz YBSVWAIBNMQNHA-INIZCTEOSA-N 1 0 298.386 2.952 50 0 CFAARO Cc1ncccc1C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000237510157 348240617 /nfs/dbraw/zinc/24/06/17/348240617.db2.gz CSTCCEWVQHJBNU-ZDUSSCGKSA-N 1 0 293.374 2.822 50 0 CFAARO Cc1csc([C@@H](C)[N@H+](C)C[C@H]2CC[C@H](O)CC2)n1 ZINC000244633184 348250469 /nfs/dbraw/zinc/25/04/69/348250469.db2.gz FYQJTPICKHHAMJ-JHJVBQTASA-N 1 0 268.426 2.995 50 0 CFAARO OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](c1cccs1)c1ncc[nH]1 ZINC000248830567 348277701 /nfs/dbraw/zinc/27/77/01/348277701.db2.gz FEXDOQCRQDNYEY-OBJOEFQTSA-N 1 0 291.420 2.701 50 0 CFAARO C[C@H]1C[C@H]([NH2+]CCC(=O)NCc2ccncc2)C[C@@H](C)C1 ZINC000253371050 348300896 /nfs/dbraw/zinc/30/08/96/348300896.db2.gz ZYJAYWVYPDELHD-FOLVSLTJSA-N 1 0 289.423 2.502 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000409421167 348600276 /nfs/dbraw/zinc/60/02/76/348600276.db2.gz UGKOOPGIVNYJHE-KRWDZBQOSA-N 1 0 297.402 2.906 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000409421175 348600287 /nfs/dbraw/zinc/60/02/87/348600287.db2.gz VXMBYQFBCXJSSJ-HNNXBMFYSA-N 1 0 285.391 2.809 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000409421087 348600532 /nfs/dbraw/zinc/60/05/32/348600532.db2.gz GLMRKYVXKJHFAV-INIZCTEOSA-N 1 0 283.375 2.516 50 0 CFAARO C[NH+]1CCC(N[C@@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000584890071 348728383 /nfs/dbraw/zinc/72/83/83/348728383.db2.gz VNEFGHJJTOVWOO-GOSISDBHSA-N 1 0 299.393 2.994 50 0 CFAARO c1ccc([C@@H](C[NH2+]C2CCOCC2)N2CCCCC2)cc1 ZINC000584891586 348729049 /nfs/dbraw/zinc/72/90/49/348729049.db2.gz PVQSNACZAKJETN-GOSISDBHSA-N 1 0 288.435 2.982 50 0 CFAARO Cc1nccn1CC[NH2+]C1CCN(c2ccccc2C)CC1 ZINC000584891259 348729230 /nfs/dbraw/zinc/72/92/30/348729230.db2.gz MQNNHLAKVMHWFS-UHFFFAOYSA-N 1 0 298.434 2.759 50 0 CFAARO O=C(NC1(C[NH+]2CCCC2)CCCCC1)C1CC=CC1 ZINC000584896761 348731109 /nfs/dbraw/zinc/73/11/09/348731109.db2.gz BHKDITOTTKEQEH-UHFFFAOYSA-N 1 0 276.424 2.868 50 0 CFAARO C[C@H](Cn1cnc2ccccc2c1=O)[NH2+]C1(C(C)(C)C)CC1 ZINC000584899606 348731971 /nfs/dbraw/zinc/73/19/71/348731971.db2.gz LUZPWIPLPPYTDP-CYBMUJFWSA-N 1 0 299.418 2.953 50 0 CFAARO Oc1ccccc1-c1ccc([C@H]2COCC[NH2+]2)cc1 ZINC000585133948 348734534 /nfs/dbraw/zinc/73/45/34/348734534.db2.gz GJCHMWZNHMTBQL-OAHLLOKOSA-N 1 0 255.317 2.720 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000585134878 348735447 /nfs/dbraw/zinc/73/54/47/348735447.db2.gz NQIGMLJVFFLZCX-UHOFOFEASA-N 1 0 277.412 2.568 50 0 CFAARO COc1cccc(C)c1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000585140355 348736344 /nfs/dbraw/zinc/73/63/44/348736344.db2.gz CPKLXLUPVDUKCP-ZIAGYGMSSA-N 1 0 262.397 2.576 50 0 CFAARO CC1(C)C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C(C)(C)O1 ZINC000089917908 179882685 /nfs/dbraw/zinc/88/26/85/179882685.db2.gz WZOMODFBNDLTFR-WDEREUQCSA-N 1 0 294.361 2.559 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@H](CC)C1 ZINC000089949097 179890764 /nfs/dbraw/zinc/89/07/64/179890764.db2.gz NNFWMFUKCVELAP-KGLIPLIRSA-N 1 0 280.437 2.875 50 0 CFAARO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cccc2ccccc21 ZINC000090848553 180045175 /nfs/dbraw/zinc/04/51/75/180045175.db2.gz JMXSMOZLJJTOBQ-SUMWQHHRSA-N 1 0 271.360 2.642 50 0 CFAARO CC(C)[N@@H+]1CCN(Cc2ccccc2Cl)C[C@H]1CCO ZINC000104467916 186007971 /nfs/dbraw/zinc/00/79/71/186007971.db2.gz RPLVKGYENHHYSA-OAHLLOKOSA-N 1 0 296.842 2.617 50 0 CFAARO C[NH+](C)CC[C@H](Nc1ncccn1)c1ccccc1 ZINC000091320218 180133990 /nfs/dbraw/zinc/13/39/90/180133990.db2.gz CDALCMBXPRSFQR-AWEZNQCLSA-N 1 0 256.353 2.582 50 0 CFAARO c1ccc(CC[N@H+](Cc2ccncc2)C2CC2)nc1 ZINC000271330448 191077653 /nfs/dbraw/zinc/07/76/53/191077653.db2.gz FKMYLAZQPZJXQD-UHFFFAOYSA-N 1 0 253.349 2.684 50 0 CFAARO Cc1cc(N[C@H](CC(C)C)c2cccnc2)nc(N)[nH+]1 ZINC000091625145 180209795 /nfs/dbraw/zinc/20/97/95/180209795.db2.gz ICPJHYKUAVDGMG-CYBMUJFWSA-N 1 0 271.368 2.962 50 0 CFAARO CC[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(C)ccc1OC ZINC000091732711 180243308 /nfs/dbraw/zinc/24/33/08/180243308.db2.gz RTDWOXXQYJHYLS-HOCLYGCPSA-N 1 0 295.448 2.912 50 0 CFAARO CCCCc1ncc(C[N@@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)[nH]1 ZINC000091952184 180291843 /nfs/dbraw/zinc/29/18/43/180291843.db2.gz SPZGHOGMUCCGOB-DYVFJYSZSA-N 1 0 291.439 2.735 50 0 CFAARO COCCC[C@@]1(CO)CCC[N@@H+](C2CCCCC2)C1 ZINC000091908036 180284187 /nfs/dbraw/zinc/28/41/87/180284187.db2.gz USDFXODTIRKSRD-INIZCTEOSA-N 1 0 269.429 2.820 50 0 CFAARO C[C@H](CNC(=S)NCc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000106067953 186100689 /nfs/dbraw/zinc/10/06/89/186100689.db2.gz TUUOODZZSKLVRS-QWHCGFSZSA-N 1 0 295.452 2.507 50 0 CFAARO CCN(C(C)=O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106132168 186103832 /nfs/dbraw/zinc/10/38/32/186103832.db2.gz AQJCTIIATUSJFQ-CJNGLKHVSA-N 1 0 260.381 2.690 50 0 CFAARO OCC[N@H+](C[C@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000106853637 186142283 /nfs/dbraw/zinc/14/22/83/186142283.db2.gz BWDKFUHKEYTHNR-OALUTQOASA-N 1 0 297.398 2.702 50 0 CFAARO CS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000107145124 186160228 /nfs/dbraw/zinc/16/02/28/186160228.db2.gz OSWISLHGYOIZBU-ZNMIVQPWSA-N 1 0 265.422 2.936 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCn2cnnc2C2CC2)C[C@@H]1C ZINC000129763039 187452352 /nfs/dbraw/zinc/45/23/52/187452352.db2.gz WCDZJXUYHQREMS-DYEKYZERSA-N 1 0 262.401 2.570 50 0 CFAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(F)c1 ZINC000108480668 186219877 /nfs/dbraw/zinc/21/98/77/186219877.db2.gz REXJQLRIFMVZCE-BYCMXARLSA-N 1 0 294.370 2.700 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000607977430 351383747 /nfs/dbraw/zinc/38/37/47/351383747.db2.gz PMEDLDJLQKXDRO-IOASZLSFSA-N 1 0 260.381 2.594 50 0 CFAARO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCCn1ccnn1 ZINC000124074179 187121166 /nfs/dbraw/zinc/12/11/66/187121166.db2.gz GFVGLTCLJPGYBN-CVEARBPZSA-N 1 0 284.407 2.840 50 0 CFAARO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)c(C)s1 ZINC000048362067 539933107 /nfs/dbraw/zinc/93/31/07/539933107.db2.gz DSXNYTYJPFGBGX-UHFFFAOYSA-N 1 0 280.437 2.971 50 0 CFAARO Cc1nn(C)c2ncc(C[NH2+][C@H](C)Cc3ccco3)cc12 ZINC000048353508 539933181 /nfs/dbraw/zinc/93/31/81/539933181.db2.gz LWGHMCCPJCQMMC-LLVKDONJSA-N 1 0 284.363 2.591 50 0 CFAARO O=C(N[C@@H](Cc1ccccc1)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000157165142 188301124 /nfs/dbraw/zinc/30/11/24/188301124.db2.gz FKKLKZDQRSPIDL-SJORKVTESA-N 1 0 286.419 2.514 50 0 CFAARO CCc1cccc(NC(=O)NCCNc2cc[nH+]cc2C)c1 ZINC000823531394 781930873 /nfs/dbraw/zinc/93/08/73/781930873.db2.gz NIIFRHUGWSJDKX-UHFFFAOYSA-N 1 0 298.390 2.608 50 0 CFAARO C[NH2+]C[C@@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163759987 188615559 /nfs/dbraw/zinc/61/55/59/188615559.db2.gz VNTDDUAWWPKJRW-NSHDSACASA-N 1 0 290.304 2.886 50 0 CFAARO CC(C)(C)OC(=O)NCC1([C@H]2CCCC[NH2+]2)CCC1 ZINC000669371543 540355620 /nfs/dbraw/zinc/35/56/20/540355620.db2.gz FUALPSYUAJYWHH-GFCCVEGCSA-N 1 0 268.401 2.824 50 0 CFAARO Cc1cccc([C@H](O)C[NH2+][C@@H](C)CC2CCOCC2)c1 ZINC000090519721 540364385 /nfs/dbraw/zinc/36/43/85/540364385.db2.gz RNOUXGPFYUBUCH-WMLDXEAASA-N 1 0 277.408 2.823 50 0 CFAARO CC(C)[C@H]([NH2+]Cc1cnn(C)c1)c1ccc2c(c1)CCO2 ZINC000091306095 540392971 /nfs/dbraw/zinc/39/29/71/540392971.db2.gz IQEGURWIAQLNEV-KRWDZBQOSA-N 1 0 285.391 2.842 50 0 CFAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc1C ZINC000247944858 540422032 /nfs/dbraw/zinc/42/20/32/540422032.db2.gz WDDAKVWJJVGPSO-ZBFHGGJFSA-N 1 0 274.408 2.672 50 0 CFAARO [NH3+]Cc1ccc(Br)c(Br)c1F ZINC000263624570 283528138 /nfs/dbraw/zinc/52/81/38/283528138.db2.gz RQPVRTBBRNQQLE-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000095971682 540725928 /nfs/dbraw/zinc/72/59/28/540725928.db2.gz ZUWDEXKMLVLRLB-OAHLLOKOSA-N 1 0 284.359 2.888 50 0 CFAARO [NH3+]Cc1ccc(C(=O)N2CCc3ccccc32)c(C2CC2)n1 ZINC000095992669 540726346 /nfs/dbraw/zinc/72/63/46/540726346.db2.gz TXJUTBJNCZLPTA-UHFFFAOYSA-N 1 0 293.370 2.621 50 0 CFAARO CCN1Cc2cccc(NC(=O)c3cncc(C)c3)c2C1 ZINC000096011064 540726760 /nfs/dbraw/zinc/72/67/60/540726760.db2.gz ILCMAERBTJCWDS-UHFFFAOYSA-N 1 0 281.359 2.978 50 0 CFAARO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCc3sccc3C2)C1 ZINC000089840156 540719860 /nfs/dbraw/zinc/71/98/60/540719860.db2.gz AMXQNGVRUCIKAZ-AWEZNQCLSA-N 1 0 292.448 2.611 50 0 CFAARO C1CCC(N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000089818382 540719979 /nfs/dbraw/zinc/71/99/79/540719979.db2.gz XAORVQBBUPJEJG-HNNXBMFYSA-N 1 0 266.429 2.552 50 0 CFAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000223858499 540722031 /nfs/dbraw/zinc/72/20/31/540722031.db2.gz OYXYHSTZPNAVOP-AEGPPILISA-N 1 0 261.365 2.651 50 0 CFAARO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1c(F)cccc1F ZINC000093739051 540723365 /nfs/dbraw/zinc/72/33/65/540723365.db2.gz MNSSCZZZQKMDIF-GHMZBOCLSA-N 1 0 255.308 2.558 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 ZINC000178585053 189128551 /nfs/dbraw/zinc/12/85/51/189128551.db2.gz UNFXXXWVHJSTSK-MJRJWQSSSA-N 1 0 298.308 2.526 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000178988195 189159910 /nfs/dbraw/zinc/15/99/10/189159910.db2.gz AHFFFVKJJYUTJK-SSDOTTSWSA-N 1 0 293.219 2.736 50 0 CFAARO C/C(=C\C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccc(F)cc1 ZINC000179221044 189178636 /nfs/dbraw/zinc/17/86/36/189178636.db2.gz PDRFUHOOOJYZDF-LEJUKPKUSA-N 1 0 290.382 2.815 50 0 CFAARO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000180081693 189236309 /nfs/dbraw/zinc/23/63/09/189236309.db2.gz QHPXORZWURKRJS-HNNXBMFYSA-N 1 0 274.343 2.563 50 0 CFAARO CCc1nnc(C[NH+]2CCC3(CCc4ccccc43)CC2)[nH]1 ZINC000670460464 541002480 /nfs/dbraw/zinc/00/24/80/541002480.db2.gz VZSPMBQTOVNJJD-UHFFFAOYSA-N 1 0 296.418 2.847 50 0 CFAARO CC[N@@H+]1CCC[C@@H](c2ncnn2C2Cc3ccccc3C2)C1 ZINC000670441748 540996355 /nfs/dbraw/zinc/99/63/55/540996355.db2.gz NOYUPGPTBOLNPO-MRXNPFEDSA-N 1 0 296.418 2.817 50 0 CFAARO Cc1nncn1CC[N@@H+](C)C[C@]1(c2ccccc2)CC1(C)C ZINC000670443608 540996503 /nfs/dbraw/zinc/99/65/03/540996503.db2.gz ZMONLTJTTAMZII-SFHVURJKSA-N 1 0 298.434 2.886 50 0 CFAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1ccc3c(c1)CCC3)C2 ZINC000670443530 540996529 /nfs/dbraw/zinc/99/65/29/540996529.db2.gz TVTIGFYLAXNOCJ-KSSFIOAISA-N 1 0 298.430 2.732 50 0 CFAARO COc1cc(Cl)c(CN2CCC[C@@H](O)CC2)c(OC)c1 ZINC000670445970 540997490 /nfs/dbraw/zinc/99/74/90/540997490.db2.gz QVNDJRFUODKEHN-LLVKDONJSA-N 1 0 299.798 2.704 50 0 CFAARO CNC(=O)CC[C@@H]1CCC[N@H+](CCC=C(C)C)C1 ZINC000670447255 540997806 /nfs/dbraw/zinc/99/78/06/540997806.db2.gz ZWMPQSVQBYHABJ-AWEZNQCLSA-N 1 0 252.402 2.581 50 0 CFAARO CC(C)=CCC[C@@H](C)[NH2+]CCN1CCCCC1=O ZINC000670449515 540998441 /nfs/dbraw/zinc/99/84/41/540998441.db2.gz JRMDHWVULWRKPL-CQSZACIVSA-N 1 0 252.402 2.723 50 0 CFAARO CNC(=O)C[C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000670456234 541001733 /nfs/dbraw/zinc/00/17/33/541001733.db2.gz WELNYJDGKWPGDK-LBPRGKRZSA-N 1 0 288.416 2.859 50 0 CFAARO Fc1ccc(N2CC[NH+](CC[C@@H]3CCOC3)CC2)c(F)c1 ZINC000670458626 541002096 /nfs/dbraw/zinc/00/20/96/541002096.db2.gz LUFDBWBRISABMF-CYBMUJFWSA-N 1 0 296.361 2.513 50 0 CFAARO Cc1ccccc1C1(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000299739047 540984550 /nfs/dbraw/zinc/98/45/50/540984550.db2.gz JVIXCXOHFIKRBR-CABCVRRESA-N 1 0 286.419 2.612 50 0 CFAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC[C@@H]1c1ccccc1 ZINC000299739011 540984788 /nfs/dbraw/zinc/98/47/88/540984788.db2.gz JKWXJHCLZAASLV-XLNGHYISSA-N 1 0 286.419 2.766 50 0 CFAARO COCCC1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC000670458021 541002219 /nfs/dbraw/zinc/00/22/19/541002219.db2.gz NNSBEQHUHABODY-UHFFFAOYSA-N 1 0 273.380 2.811 50 0 CFAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCCC(CO)(CO)C1 ZINC000670463850 541005488 /nfs/dbraw/zinc/00/54/88/541005488.db2.gz DXZOCEBEVTWLGE-LZYBPNLTSA-N 1 0 281.440 2.746 50 0 CFAARO Cc1nnc(C[NH+]2CCC3(CCc4ccccc43)CC2)[nH]1 ZINC000670468429 541007099 /nfs/dbraw/zinc/00/70/99/541007099.db2.gz OSECNZLPLYWCIB-UHFFFAOYSA-N 1 0 282.391 2.593 50 0 CFAARO Cc1nc2cc(C[NH2+][C@H](C)CN3CCCCC3)ccc2[nH]1 ZINC000670468730 541007779 /nfs/dbraw/zinc/00/77/79/541007779.db2.gz IYMSXVNLEGHVPG-CYBMUJFWSA-N 1 0 286.423 2.835 50 0 CFAARO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000670469733 541008172 /nfs/dbraw/zinc/00/81/72/541008172.db2.gz RYUAAYGSHNLITG-CYBMUJFWSA-N 1 0 258.365 2.761 50 0 CFAARO CCCc1nc(N(C)CC2CC[NH+](CC(C)C)CC2)no1 ZINC000670472891 541011276 /nfs/dbraw/zinc/01/12/76/541011276.db2.gz BHQUDEKVMGXDMA-UHFFFAOYSA-N 1 0 294.443 2.826 50 0 CFAARO CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1F ZINC000181024645 189286879 /nfs/dbraw/zinc/28/68/79/189286879.db2.gz SDJSTNLQVPYUHE-HNNXBMFYSA-N 1 0 299.411 2.691 50 0 CFAARO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc2ccccc2c1 ZINC000181507684 189298463 /nfs/dbraw/zinc/29/84/63/189298463.db2.gz FJQMOSMNJOJJOC-KBXCAEBGSA-N 1 0 295.386 2.748 50 0 CFAARO Cc1cc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)on1 ZINC000184557519 189389158 /nfs/dbraw/zinc/38/91/58/189389158.db2.gz TZLKWKBHQHXVSS-QWHCGFSZSA-N 1 0 295.383 2.518 50 0 CFAARO Clc1ccc([C@H]2OCC[C@H]2[NH2+]CCn2cccn2)cc1 ZINC000192022830 189611857 /nfs/dbraw/zinc/61/18/57/189611857.db2.gz HIFJTVYTCXEWFO-HUUCEWRRSA-N 1 0 291.782 2.656 50 0 CFAARO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cscn1)C(C)C ZINC000449510698 241992173 /nfs/dbraw/zinc/99/21/73/241992173.db2.gz LSRLTWANPOTKJH-CHWSQXEVSA-N 1 0 256.415 2.522 50 0 CFAARO COC(=O)[C@@H]1CC[NH2+][C@H]1c1c(Cl)cccc1Cl ZINC000017578473 284075313 /nfs/dbraw/zinc/07/53/13/284075313.db2.gz OJCNQXAYXHHTBC-RDDDGLTNSA-N 1 0 274.147 2.817 50 0 CFAARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000229385418 189798407 /nfs/dbraw/zinc/79/84/07/189798407.db2.gz VFIWHWWVHRJLBL-KGLIPLIRSA-N 1 0 278.421 2.722 50 0 CFAARO C[NH2+]C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000237090674 189863086 /nfs/dbraw/zinc/86/30/86/189863086.db2.gz DBYHVWJLLIMIAT-UHFFFAOYSA-N 1 0 293.219 2.879 50 0 CFAARO Cc1ccc(/C=C/C(=O)N(C)C2CC[NH2+]CC2)cc1Cl ZINC000237094948 189863362 /nfs/dbraw/zinc/86/33/62/189863362.db2.gz QJJSDZYMNLGETJ-AATRIKPKSA-N 1 0 292.810 2.872 50 0 CFAARO O=C(O[C@@H]1C[NH+]2CCC1CC2)c1ccc(Cl)cc1 ZINC000000135967 371539658 /nfs/dbraw/zinc/53/96/58/371539658.db2.gz OBJXBGVRIMAFOI-CYBMUJFWSA-N 1 0 265.740 2.591 50 0 CFAARO COc1ccc([C@]2(CC[NH3+])CCOC(C)(C)C2)cc1 ZINC000000177014 371549580 /nfs/dbraw/zinc/54/95/80/371549580.db2.gz BXKVYLVDXNEOQL-MRXNPFEDSA-N 1 0 263.381 2.871 50 0 CFAARO CC[C@H](C(=O)O[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000000192647 371554829 /nfs/dbraw/zinc/55/48/29/371554829.db2.gz KUILOHHBEIBAET-HOTGVXAUSA-N 1 0 273.376 2.818 50 0 CFAARO O[C@@H](COCc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000000448474 371616126 /nfs/dbraw/zinc/61/61/26/371616126.db2.gz WPJZTIVXTMTTDV-LJQANCHMSA-N 1 0 297.398 2.622 50 0 CFAARO CCOC(=O)N1CC[NH+](C2CCC(CC)CC2)CC1 ZINC000000214642 371561593 /nfs/dbraw/zinc/56/15/93/371561593.db2.gz SRFQPWQIHBFVBU-UHFFFAOYSA-N 1 0 268.401 2.729 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000000236969 371564518 /nfs/dbraw/zinc/56/45/18/371564518.db2.gz HLMFFJLTLCAFPU-HNNXBMFYSA-N 1 0 292.398 2.906 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000240004 371566657 /nfs/dbraw/zinc/56/66/57/371566657.db2.gz ATWGWMKYWAEZQF-UHFFFAOYSA-N 1 0 265.328 2.601 50 0 CFAARO COc1ccccc1CC[NH2+][C@@H]1CCCC[C@H]1OC ZINC000000248057 371568404 /nfs/dbraw/zinc/56/84/04/371568404.db2.gz UCPUZQNWLLHCMH-GDBMZVCRSA-N 1 0 263.381 2.785 50 0 CFAARO COc1cc(C[NH2+]C2CCCC2)cc(OC)c1OC ZINC000000263259 371571763 /nfs/dbraw/zinc/57/17/63/371571763.db2.gz GEMOQGSLWYTQKF-UHFFFAOYSA-N 1 0 265.353 2.745 50 0 CFAARO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC)cc(OC)c1 ZINC000000293445 371580136 /nfs/dbraw/zinc/58/01/36/371580136.db2.gz LXSLVRZUGUBCSX-HZPDHXFCSA-N 1 0 279.380 2.751 50 0 CFAARO C[NH+](C)CCC(=O)c1cccc(Br)c1 ZINC000000465126 371623300 /nfs/dbraw/zinc/62/33/00/371623300.db2.gz CWQXTHKQDGGMNN-UHFFFAOYSA-N 1 0 256.143 2.584 50 0 CFAARO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000000794533 371648518 /nfs/dbraw/zinc/64/85/18/371648518.db2.gz NHGWYVBPZSKTKV-LLVKDONJSA-N 1 0 290.190 2.829 50 0 in-vitro CFAARO Cc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000000798148 371648964 /nfs/dbraw/zinc/64/89/64/371648964.db2.gz GFLXJBSGLVHAOC-UHFFFAOYSA-N 1 0 250.386 2.987 50 0 CFAARO Cc1cc(NNc2ccc(Cl)cc2)c(C(N)=O)c(C)[nH+]1 ZINC000001226002 371662534 /nfs/dbraw/zinc/66/25/34/371662534.db2.gz DIBJHAGKNNKESV-UHFFFAOYSA-N 1 0 290.754 2.890 50 0 CFAARO C[N@H+](CCOC(=O)/C=C/c1ccco1)Cc1ccccc1 ZINC000002180619 371718139 /nfs/dbraw/zinc/71/81/39/371718139.db2.gz JUAZECOXJLFJHX-MDZDMXLPSA-N 1 0 285.343 2.968 50 0 CFAARO COc1ccccc1CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000002483758 371727197 /nfs/dbraw/zinc/72/71/97/371727197.db2.gz ZLYOEEDSXFIETO-UHFFFAOYSA-N 1 0 285.343 2.756 50 0 CFAARO COc1ccc(C2C(=O)c3ccccc3[N+]2=O)cc1 ZINC000001569831 371681725 /nfs/dbraw/zinc/68/17/25/371681725.db2.gz ZPCJCVQIWZJBSH-UHFFFAOYSA-N 1 0 253.257 2.523 50 0 CFAARO C[NH+](C)CCCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000001634230 371690486 /nfs/dbraw/zinc/69/04/86/371690486.db2.gz ZMGVBKNKVURRTM-UHFFFAOYSA-N 1 0 296.414 2.886 50 0 CFAARO CC(C)[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002636159 371742902 /nfs/dbraw/zinc/74/29/02/371742902.db2.gz SYAUBRLWEYNAPJ-UHFFFAOYSA-N 1 0 276.258 2.522 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000002760608 371751396 /nfs/dbraw/zinc/75/13/96/371751396.db2.gz ZCGAGODWJGQSCO-UHFFFAOYSA-N 1 0 252.333 2.886 50 0 CFAARO CC1(C)CC(NC(=O)CNc2ccccc2)CC(C)(C)[NH2+]1 ZINC000002894529 371762473 /nfs/dbraw/zinc/76/24/73/371762473.db2.gz NIYAHOWTDJCZTI-UHFFFAOYSA-N 1 0 289.423 2.524 50 0 CFAARO CCOCCC[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000002923965 371765541 /nfs/dbraw/zinc/76/55/41/371765541.db2.gz ZEZFGVWCEWHLMP-UHFFFAOYSA-N 1 0 267.369 2.610 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+]C2CCCC2)c(C)c1 ZINC000003105167 371771676 /nfs/dbraw/zinc/77/16/76/371771676.db2.gz HUBOWDYNTWPWJE-OAHLLOKOSA-N 1 0 263.381 2.575 50 0 CFAARO CCCCOc1ccc(CNC(N)=[NH2+])cc1Cl ZINC000003159626 371777860 /nfs/dbraw/zinc/77/78/60/371777860.db2.gz NPRFQPBCXGRCCG-UHFFFAOYSA-N 1 0 255.749 2.502 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000002582554 371741136 /nfs/dbraw/zinc/74/11/36/371741136.db2.gz OHDKQNKLKJXDIL-LLVKDONJSA-N 1 0 286.169 2.711 50 0 CFAARO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000002627707 371742642 /nfs/dbraw/zinc/74/26/42/371742642.db2.gz HETWHWDMGDOCTI-JTQLQIEISA-N 1 0 290.190 2.829 50 0 CFAARO CCCC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000004024166 371829527 /nfs/dbraw/zinc/82/95/27/371829527.db2.gz MFSWCCDKUKVJOD-BXUZGUMPSA-N 1 0 276.380 2.727 50 0 CFAARO CSc1ccc(/C=C/C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000003356567 371795243 /nfs/dbraw/zinc/79/52/43/371795243.db2.gz YDJZWUINKIPRDL-RMKNXTFCSA-N 1 0 290.432 2.586 50 0 CFAARO Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000003564643 371810745 /nfs/dbraw/zinc/81/07/45/371810745.db2.gz OADYZQLRFVTJNE-ZDUSSCGKSA-N 1 0 260.381 2.974 50 0 CFAARO COc1cccc(C(=O)O[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000003901928 371824520 /nfs/dbraw/zinc/82/45/20/371824520.db2.gz GZVRRJMREYBBIV-TYNCELHUSA-N 1 0 277.364 2.581 50 0 CFAARO COC(=O)Nc1ncc(C[NH+]2CCC(C)CC2)s1 ZINC000004618824 371867743 /nfs/dbraw/zinc/86/77/43/371867743.db2.gz LHRKTGLXIVXONJ-UHFFFAOYSA-N 1 0 269.370 2.553 50 0 CFAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccc(OC)c(OC)c1 ZINC000004664884 371871463 /nfs/dbraw/zinc/87/14/63/371871463.db2.gz VWMLZFLHOTVGEL-LBPRGKRZSA-N 1 0 295.379 2.591 50 0 CFAARO C[N@H+](CCOC(=O)COc1ccc(Cl)cc1)C(C)(C)C ZINC000004679716 371872085 /nfs/dbraw/zinc/87/20/85/371872085.db2.gz PYQIQTRQLZDGDB-UHFFFAOYSA-N 1 0 299.798 2.992 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000004670878 371872194 /nfs/dbraw/zinc/87/21/94/371872194.db2.gz YYIQWLVUJAOKKF-CQSZACIVSA-N 1 0 263.381 2.869 50 0 CFAARO C[NH+]1CCN(c2ncnc3oc(-c4ccccc4)cc32)CC1 ZINC000005675061 371884477 /nfs/dbraw/zinc/88/44/77/371884477.db2.gz FVMMWNVOTPANIS-UHFFFAOYSA-N 1 0 294.358 2.642 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2ccccc2)CCCCC1 ZINC000011915652 371935864 /nfs/dbraw/zinc/93/58/64/371935864.db2.gz GMBMAHMMQCNOGV-UHFFFAOYSA-N 1 0 260.381 2.681 50 0 in-vitro CFAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](C)C1 ZINC000012003420 371940072 /nfs/dbraw/zinc/94/00/72/371940072.db2.gz QIUWVFYPCZAVEC-QGZVFWFLSA-N 1 0 291.391 2.731 50 0 CFAARO Cc1c2ccccc2oc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000006730765 371890229 /nfs/dbraw/zinc/89/02/29/371890229.db2.gz WHECDOQOWGXNLR-UHFFFAOYSA-N 1 0 272.348 2.519 50 0 CFAARO CC[NH+]1CCN(c2ccccc2NC(=O)C2CCC2)CC1 ZINC000009368198 371900090 /nfs/dbraw/zinc/90/00/90/371900090.db2.gz SMHKVVVRYHXTEZ-UHFFFAOYSA-N 1 0 287.407 2.567 50 0 CFAARO Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000010328154 371905499 /nfs/dbraw/zinc/90/54/99/371905499.db2.gz VEGOACLXSQKQPP-GOSISDBHSA-N 1 0 296.414 2.957 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434702 371908344 /nfs/dbraw/zinc/90/83/44/371908344.db2.gz JKPCDWTZUZMBCC-BWAJOPIQSA-N 1 0 281.440 2.721 50 0 CFAARO COc1ccc(C[C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011600668 371921681 /nfs/dbraw/zinc/92/16/81/371921681.db2.gz JPJQOALHRVTKIV-OAHLLOKOSA-N 1 0 259.324 2.947 50 0 CFAARO C[NH2+]CC1CCN(C(=O)c2cc(C)c(F)cc2Cl)CC1 ZINC000237346706 189873265 /nfs/dbraw/zinc/87/32/65/189873265.db2.gz DVQWEBASEPXGHM-UHFFFAOYSA-N 1 0 298.789 2.859 50 0 CFAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000011774876 371930171 /nfs/dbraw/zinc/93/01/71/371930171.db2.gz VTDCJYIVWDJSRB-MRXNPFEDSA-N 1 0 298.390 2.685 50 0 CFAARO CC(C)N1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000012454879 371965198 /nfs/dbraw/zinc/96/51/98/371965198.db2.gz JROZQHGGGKIRHV-OAHLLOKOSA-N 1 0 278.371 2.705 50 0 CFAARO C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)CC1 ZINC000012538901 371972113 /nfs/dbraw/zinc/97/21/13/371972113.db2.gz UTIJFSFPBFGGEF-OAHLLOKOSA-N 1 0 299.418 2.733 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000012540813 371972483 /nfs/dbraw/zinc/97/24/83/371972483.db2.gz AXBWTBDQEIFRII-IJEWVQPXSA-N 1 0 295.398 2.966 50 0 CFAARO OCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012569069 371975773 /nfs/dbraw/zinc/97/57/73/371975773.db2.gz WDSVMUMJYUVZSC-UHFFFAOYSA-N 1 0 293.370 2.621 50 0 CFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000012909162 371997589 /nfs/dbraw/zinc/99/75/89/371997589.db2.gz WPEAODXWXHZRRT-HNNXBMFYSA-N 1 0 298.361 2.830 50 0 CFAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC2)cc1 ZINC000012917870 371999838 /nfs/dbraw/zinc/99/98/38/371999838.db2.gz XWBOTYSMOHZKPL-MRXNPFEDSA-N 1 0 288.391 2.501 50 0 CFAARO O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCCC1 ZINC000012343557 371952697 /nfs/dbraw/zinc/95/26/97/371952697.db2.gz KBNCGVIFQOVQMP-OAHLLOKOSA-N 1 0 276.424 2.677 50 0 CFAARO C[N@H+](CCC(=O)Nc1ccccc1)Cc1ccco1 ZINC000014162883 372060372 /nfs/dbraw/zinc/06/03/72/372060372.db2.gz RNQJPMFIUYAAQB-UHFFFAOYSA-N 1 0 258.321 2.740 50 0 CFAARO S=C(NC1CC1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000013692118 372041002 /nfs/dbraw/zinc/04/10/02/372041002.db2.gz APAIUMHTLWHOIE-HNNXBMFYSA-N 1 0 295.496 2.754 50 0 CFAARO COc1cc(C[NH2+]CCC(C)C)cc(OC)c1OC ZINC000013718095 372042863 /nfs/dbraw/zinc/04/28/63/372042863.db2.gz RCVIXPYLVPVATJ-UHFFFAOYSA-N 1 0 267.369 2.848 50 0 CFAARO CC(C)NC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000016342738 372105252 /nfs/dbraw/zinc/10/52/52/372105252.db2.gz NQECGJBXCHRGIP-HNNXBMFYSA-N 1 0 260.381 2.520 50 0 CFAARO Cc1ccc(COC[C@H](O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000016578869 372110012 /nfs/dbraw/zinc/11/00/12/372110012.db2.gz AXOOJLOJCMLUJF-DOTOQJQBSA-N 1 0 277.408 2.604 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000016602734 372111452 /nfs/dbraw/zinc/11/14/52/372111452.db2.gz XTGNKFUZFVNBKG-UHFFFAOYSA-N 1 0 266.772 2.554 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccccc2OCC)CC1 ZINC000016603341 372112849 /nfs/dbraw/zinc/11/28/49/372112849.db2.gz MUTGXWSLCVBPPW-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO CCC[N@@H+]1CCc2nc(Nc3ccc(OC)cc3)ncc2C1 ZINC000015778891 372091175 /nfs/dbraw/zinc/09/11/75/372091175.db2.gz FNKJCKDRUJTXQC-UHFFFAOYSA-N 1 0 298.390 2.997 50 0 CFAARO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1 ZINC000016333988 372103333 /nfs/dbraw/zinc/10/33/33/372103333.db2.gz OFIKXGZTXUSCPZ-ZDUSSCGKSA-N 1 0 288.416 2.885 50 0 CFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000016293439 372103385 /nfs/dbraw/zinc/10/33/85/372103385.db2.gz FKEMVPGJVAQWRR-UHFFFAOYSA-N 1 0 295.386 2.866 50 0 CFAARO CC[NH+]1CCC(c2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000019146657 372148614 /nfs/dbraw/zinc/14/86/14/372148614.db2.gz DSYGFOMAXZDJOS-UHFFFAOYSA-N 1 0 289.354 2.999 50 0 CFAARO Cc1cc(C)n(Cc2ccc(C[N@@H+]3CCCOCC3)cc2)n1 ZINC000019146618 372149061 /nfs/dbraw/zinc/14/90/61/372149061.db2.gz XURJYFBFJHQYPI-UHFFFAOYSA-N 1 0 299.418 2.771 50 0 CFAARO CCc1nc(C)c(CN2CCC([NH+]3CCCC3)CC2)o1 ZINC000019147704 372149763 /nfs/dbraw/zinc/14/97/63/372149763.db2.gz MARJGASPGMJULV-UHFFFAOYSA-N 1 0 277.412 2.606 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2cccc(OC)c2OC)CC1 ZINC000019499943 372170098 /nfs/dbraw/zinc/17/00/98/372170098.db2.gz YRLUVLNNALIZOV-CQSZACIVSA-N 1 0 292.423 2.620 50 0 CFAARO COc1ccc(COCc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000019965682 372218363 /nfs/dbraw/zinc/21/83/63/372218363.db2.gz SELALGKAUFLLOW-UHFFFAOYSA-N 1 0 270.332 2.696 50 0 CFAARO C[n+]1ccc(COC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000020031454 372219608 /nfs/dbraw/zinc/21/96/08/372219608.db2.gz NAQOPDSJVVGBGD-UHFFFAOYSA-O 1 0 277.731 2.913 50 0 CFAARO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000020036586 372221431 /nfs/dbraw/zinc/22/14/31/372221431.db2.gz XLUANCFZTFNPFZ-VIFPVBQESA-N 1 0 285.185 2.776 50 0 CFAARO COc1ccccc1OCCCCCC[NH+]1CCOCC1 ZINC000020038048 372221641 /nfs/dbraw/zinc/22/16/41/372221641.db2.gz JVAHNWSQYOEOCQ-UHFFFAOYSA-N 1 0 293.407 2.967 50 0 CFAARO C[C@@H]([NH2+]Cc1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000020086615 372226959 /nfs/dbraw/zinc/22/69/59/372226959.db2.gz LQZSICWGYHLAQG-GFCCVEGCSA-N 1 0 282.343 2.868 50 0 CFAARO CCCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100461 372230797 /nfs/dbraw/zinc/23/07/97/372230797.db2.gz AUMDNLNGKRCLDE-UHFFFAOYSA-N 1 0 292.398 2.954 50 0 CFAARO CC(C)CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100506 372230918 /nfs/dbraw/zinc/23/09/18/372230918.db2.gz MKTQBWPTNQGNGP-UHFFFAOYSA-N 1 0 292.398 2.810 50 0 CFAARO CCOc1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000020118417 372232312 /nfs/dbraw/zinc/23/23/12/372232312.db2.gz KOCYLICANYDXIN-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO COc1cc2c(cc1OC)[C@@H](c1ccc(N)cc1)[NH2+]CC2 ZINC000020230727 372234987 /nfs/dbraw/zinc/23/49/87/372234987.db2.gz PNGKDQOXYUVJTL-QGZVFWFLSA-N 1 0 284.359 2.521 50 0 CFAARO COc1ccc(OCC[NH2+]Cc2cccs2)cc1 ZINC000019738133 372183888 /nfs/dbraw/zinc/18/38/88/372183888.db2.gz VYGVCUFNENRLOP-UHFFFAOYSA-N 1 0 263.362 2.925 50 0 CFAARO c1csc([C@H]2[NH2+]CCc3nc4ccccc4n32)c1 ZINC000019772816 372184077 /nfs/dbraw/zinc/18/40/77/372184077.db2.gz AVRUDJDRFKBSQO-AWEZNQCLSA-N 1 0 255.346 2.790 50 0 CFAARO Cc1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000019781645 372186233 /nfs/dbraw/zinc/18/62/33/372186233.db2.gz JTZTYOVPBRSIOQ-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019785097 372186322 /nfs/dbraw/zinc/18/63/22/372186322.db2.gz KPOJAAFMVVOASP-IBGZPJMESA-N 1 0 296.414 2.851 50 0 CFAARO Brc1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000019823600 372192491 /nfs/dbraw/zinc/19/24/91/372192491.db2.gz WAAMOLDHPXBZBY-UHFFFAOYSA-N 1 0 283.213 2.635 50 0 CFAARO Fc1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019842438 372197857 /nfs/dbraw/zinc/19/78/57/372197857.db2.gz NQFNEIVFEXLXLW-UHFFFAOYSA-N 1 0 262.372 2.886 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccsc1 ZINC000025329632 372297284 /nfs/dbraw/zinc/29/72/84/372297284.db2.gz KJJWUXLXXOYVLI-GXTWGEPZSA-N 1 0 278.421 2.823 50 0 CFAARO COC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccc(Cl)cc1Cl ZINC000022204706 372243935 /nfs/dbraw/zinc/24/39/35/372243935.db2.gz RFRBPJHBTIEEOF-MWLCHTKSSA-N 1 0 274.147 2.817 50 0 CFAARO Cc1ccccc1[C@@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022122414 372244860 /nfs/dbraw/zinc/24/48/60/372244860.db2.gz IZNRYBFUKJNNLH-GOSISDBHSA-N 1 0 266.388 2.990 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1OC ZINC000022936411 372248956 /nfs/dbraw/zinc/24/89/56/372248956.db2.gz YMAOBAZBJHENAS-OAHLLOKOSA-N 1 0 292.423 2.668 50 0 CFAARO COc1cc(C)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000023114858 372252524 /nfs/dbraw/zinc/25/25/24/372252524.db2.gz DQBLKCCPEBLPCS-ZIAGYGMSSA-N 1 0 263.381 2.921 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@H](O)C2)c2ccccc12 ZINC000023282021 372255641 /nfs/dbraw/zinc/25/56/41/372255641.db2.gz IUVMYLWLZSPKMT-AWEZNQCLSA-N 1 0 271.360 2.805 50 0 CFAARO C[C@H](CCc1ccccc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000023283324 372259192 /nfs/dbraw/zinc/25/91/92/372259192.db2.gz GSIZPQOFMQUUMN-MRXNPFEDSA-N 1 0 296.418 2.620 50 0 CFAARO Cc1ccc(C)c(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C)c1 ZINC000023471801 372260324 /nfs/dbraw/zinc/26/03/24/372260324.db2.gz YGQZJYWNJRYUID-RDJZCZTQSA-N 1 0 258.409 2.972 50 0 CFAARO COC(=O)CC[NH2+]CC1(c2ccccc2)CCCC1 ZINC000023634522 372261931 /nfs/dbraw/zinc/26/19/31/372261931.db2.gz NSKSPPAFFZDVGP-UHFFFAOYSA-N 1 0 261.365 2.651 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000023991015 372269381 /nfs/dbraw/zinc/26/93/81/372269381.db2.gz XKCDUOSOLFONPA-CYBMUJFWSA-N 1 0 278.400 2.667 50 0 CFAARO FC(F)(F)c1ccc(CSC2=[NH+]CCN2)cc1 ZINC000026422854 372320313 /nfs/dbraw/zinc/32/03/13/372320313.db2.gz FZLBSTPCJDVETC-UHFFFAOYSA-N 1 0 260.284 2.898 50 0 CFAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCO ZINC000026482862 372321918 /nfs/dbraw/zinc/32/19/18/372321918.db2.gz IEXVSPXOWOOWRI-UHFFFAOYSA-N 1 0 259.349 2.709 50 0 CFAARO CC(C)[C@H](C)[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000026672052 372328019 /nfs/dbraw/zinc/32/80/19/372328019.db2.gz RVHKEXWWQVSKAI-LBPRGKRZSA-N 1 0 260.381 2.794 50 0 CFAARO CC(C)c1cc(NC(=O)C[N@@H+](C(C)C)C2CC2)on1 ZINC000026942613 372332763 /nfs/dbraw/zinc/33/27/63/372332763.db2.gz OLWVULDXLRWXJW-UHFFFAOYSA-N 1 0 265.357 2.609 50 0 CFAARO CCC[NH+](CCC)CC(=O)Nc1cc(OC)ccc1OC ZINC000027269719 372337431 /nfs/dbraw/zinc/33/74/31/372337431.db2.gz SEFGYDKZYBZDDV-UHFFFAOYSA-N 1 0 294.395 2.764 50 0 CFAARO COc1ccc(C)cc1C[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000027367606 372341720 /nfs/dbraw/zinc/34/17/20/372341720.db2.gz BKOKFFXMPANAKR-UHFFFAOYSA-N 1 0 298.386 2.735 50 0 CFAARO CCc1ccc([C@H](CNC(=O)c2ccncc2)[NH+](C)C)cc1 ZINC000027596323 372343037 /nfs/dbraw/zinc/34/30/37/372343037.db2.gz JXKXJODKEJZFQN-KRWDZBQOSA-N 1 0 297.402 2.677 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)NC1CCCC1)c1cccs1 ZINC000030986151 372401102 /nfs/dbraw/zinc/40/11/02/372401102.db2.gz AYFZTDGMLAMLHA-LBPRGKRZSA-N 1 0 281.425 2.593 50 0 CFAARO O=C(CCc1ccccc1)NCCc1[nH+]cc2ccccn21 ZINC000031773108 372416928 /nfs/dbraw/zinc/41/69/28/372416928.db2.gz DAHHEAKULFMAOM-UHFFFAOYSA-N 1 0 293.370 2.626 50 0 CFAARO Brc1cccc(COCC2CC[NH2+]CC2)c1 ZINC000028522007 372365801 /nfs/dbraw/zinc/36/58/01/372365801.db2.gz CKDKZQHPMMFGEN-UHFFFAOYSA-N 1 0 284.197 2.965 50 0 CFAARO C[N@H+](CCCNC(=O)/C=C/c1ccco1)Cc1ccccc1 ZINC000032902648 372473254 /nfs/dbraw/zinc/47/32/54/372473254.db2.gz NIXJNYDXBLYEKD-ZHACJKMWSA-N 1 0 298.386 2.931 50 0 CFAARO COCC[N@H+](C)Cc1cccc(Br)c1 ZINC000032917448 372476569 /nfs/dbraw/zinc/47/65/69/372476569.db2.gz SNEAWWZXTLDJDF-UHFFFAOYSA-N 1 0 258.159 2.527 50 0 CFAARO C[N@@H+]1CC[C@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000032500608 372441386 /nfs/dbraw/zinc/44/13/86/372441386.db2.gz PNABFEJJPYBPHV-AWEZNQCLSA-N 1 0 271.364 2.664 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2Nc1cc(C)[nH+]c(N)n1 ZINC000032533135 372442961 /nfs/dbraw/zinc/44/29/61/372442961.db2.gz SXXZTNFBEHJSSL-AWEZNQCLSA-N 1 0 284.363 2.865 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C(C)C)c(C)c1 ZINC000032561815 372445606 /nfs/dbraw/zinc/44/56/06/372445606.db2.gz MGKSLIGLWWQANP-GJZGRUSLSA-N 1 0 265.397 2.677 50 0 CFAARO CC[NH+](CC)C[C@@H](C)OC(=O)COc1ccccc1C ZINC000032579633 372446060 /nfs/dbraw/zinc/44/60/60/372446060.db2.gz KTUHHSUCARJUNE-CQSZACIVSA-N 1 0 279.380 2.647 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH2+][C@H](C)C2CC2)ccc1Cl ZINC000032597608 372447073 /nfs/dbraw/zinc/44/70/73/372447073.db2.gz FFPIEKXCBNEKRO-DGCLKSJQSA-N 1 0 283.799 2.776 50 0 CFAARO CCCC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1F ZINC000032582054 372447651 /nfs/dbraw/zinc/44/76/51/372447651.db2.gz XPHCFNKAXSXPKD-OCCSQVGLSA-N 1 0 253.361 2.897 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000032679668 372453765 /nfs/dbraw/zinc/45/37/65/372453765.db2.gz VGEZGLJBQLCMQL-UHFFFAOYSA-N 1 0 256.296 2.682 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccsc1 ZINC000032744913 372458728 /nfs/dbraw/zinc/45/87/28/372458728.db2.gz SJLQUEFAJVUVEP-UHFFFAOYSA-N 1 0 274.389 2.740 50 0 CFAARO Oc1ccccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000032743413 372458963 /nfs/dbraw/zinc/45/89/63/372458963.db2.gz PTSGORMNMCDKQD-UHFFFAOYSA-N 1 0 282.387 2.757 50 0 CFAARO COc1cc2ccccc2cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000032817395 372464747 /nfs/dbraw/zinc/46/47/47/372464747.db2.gz USZKGVDQDQPGBH-GFCCVEGCSA-N 1 0 286.375 2.528 50 0 CFAARO C[C@@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000032870880 372470150 /nfs/dbraw/zinc/47/01/50/372470150.db2.gz GWMHXVCEYOXNMH-CQSZACIVSA-N 1 0 283.375 2.894 50 0 CFAARO OC1(c2ccccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000034474934 372509087 /nfs/dbraw/zinc/50/90/87/372509087.db2.gz IISOQGMXZLAXFV-UHFFFAOYSA-N 1 0 268.360 2.565 50 0 CFAARO Cn1cccc1C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035018925 372528843 /nfs/dbraw/zinc/52/88/43/372528843.db2.gz NFNNGSVLJPULFU-UONOGXRCSA-N 1 0 260.381 2.720 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 ZINC000035047793 372533129 /nfs/dbraw/zinc/53/31/29/372533129.db2.gz IXLPBPOHXZKFEO-SNVBAGLBSA-N 1 0 290.313 2.915 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc(F)c(F)c1 ZINC000035047792 372534322 /nfs/dbraw/zinc/53/43/22/372534322.db2.gz IXLPBPOHXZKFEO-JTQLQIEISA-N 1 0 290.313 2.915 50 0 CFAARO O=C(NC1CCCCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035378039 372549225 /nfs/dbraw/zinc/54/92/25/372549225.db2.gz ZDZGWXBWMYIRPR-INIZCTEOSA-N 1 0 272.392 2.540 50 0 CFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCCC1)NC1CC1 ZINC000036075797 372556630 /nfs/dbraw/zinc/55/66/30/372556630.db2.gz RUBLCUVIYPFHLN-AWEZNQCLSA-N 1 0 291.395 2.658 50 0 CFAARO CCC[N@@H+](Cc1cccc(OC)c1)C[C@@H](O)COC(C)C ZINC000036100220 372559317 /nfs/dbraw/zinc/55/93/17/372559317.db2.gz WFEIAIDBWKHTIF-MRXNPFEDSA-N 1 0 295.423 2.693 50 0 CFAARO [NH3+][C@@H](C(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 ZINC000036135183 372561815 /nfs/dbraw/zinc/56/18/15/372561815.db2.gz NQXGJJQZKQLNEU-QGZVFWFLSA-N 1 0 280.371 2.878 50 0 CFAARO CN(C(=O)c1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000036283205 372570158 /nfs/dbraw/zinc/57/01/58/372570158.db2.gz ZADXCKMJTGJMCU-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO CCOc1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000036876483 372606276 /nfs/dbraw/zinc/60/62/76/372606276.db2.gz CVHJRVFWAWHPQH-CYBMUJFWSA-N 1 0 271.364 2.942 50 0 CFAARO CC[N@@H+]1CC[C@@H](CNCc2cc3cccc(OC)c3o2)C1 ZINC000037644470 372681249 /nfs/dbraw/zinc/68/12/49/372681249.db2.gz HLWWWELPILXENL-ZDUSSCGKSA-N 1 0 288.391 2.873 50 0 CFAARO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(OC)cc1 ZINC000037893433 372732590 /nfs/dbraw/zinc/73/25/90/372732590.db2.gz ZVASKSILPTVFSO-HNNXBMFYSA-N 1 0 259.353 2.968 50 0 CFAARO CCOc1cccc(CNC2CC[NH+](CC)CC2)c1OC ZINC000037976770 372743020 /nfs/dbraw/zinc/74/30/20/372743020.db2.gz KZQANIFDZCTMKD-UHFFFAOYSA-N 1 0 292.423 2.668 50 0 CFAARO CC[NH+]1CCC(NCc2cc(Cl)ccc2OC)CC1 ZINC000037979035 372745427 /nfs/dbraw/zinc/74/54/27/372745427.db2.gz QBANELYCOQLTCB-UHFFFAOYSA-N 1 0 282.815 2.923 50 0 CFAARO O=C(CCC1CCCC1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915905 372735814 /nfs/dbraw/zinc/73/58/14/372735814.db2.gz QRVLGYMQEHVTCQ-INIZCTEOSA-N 1 0 278.440 2.947 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)C1 ZINC000237952595 189895151 /nfs/dbraw/zinc/89/51/51/189895151.db2.gz JYXOHKUVMRLYMQ-GVDBMIGSSA-N 1 0 286.419 2.738 50 0 CFAARO C[C@@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccc(F)cc1 ZINC000041111695 372815146 /nfs/dbraw/zinc/81/51/46/372815146.db2.gz QONAUZLUMNPGIX-LBPRGKRZSA-N 1 0 280.387 2.776 50 0 CFAARO CC[C@H]1CCC[N@H+](CCn2c3ccccc3oc2=O)C1 ZINC000042145742 372878417 /nfs/dbraw/zinc/87/84/17/372878417.db2.gz OXBASCVPQQSIIY-ZDUSSCGKSA-N 1 0 274.364 2.717 50 0 CFAARO C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccccc1Cl ZINC000042335945 372908445 /nfs/dbraw/zinc/90/84/45/372908445.db2.gz SMZNDSNTBVDYAV-LJRHVDQYSA-N 1 0 271.813 2.902 50 0 CFAARO Fc1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042773611 372953520 /nfs/dbraw/zinc/95/35/20/372953520.db2.gz YXMJUKLEAKUFET-MRVPVSSYSA-N 1 0 274.133 2.577 50 0 CFAARO CC(=O)Nc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042773011 372953810 /nfs/dbraw/zinc/95/38/10/372953810.db2.gz IPBNWRWRDCHXQV-CYBMUJFWSA-N 1 0 262.353 2.556 50 0 CFAARO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)cn1 ZINC000042911238 372965657 /nfs/dbraw/zinc/96/56/57/372965657.db2.gz DHWANOBKEJIOSL-UHFFFAOYSA-N 1 0 298.346 2.672 50 0 CFAARO COC(=O)c1ccccc1COCC[C@H]1CCCC[NH2+]1 ZINC000042773818 372954463 /nfs/dbraw/zinc/95/44/63/372954463.db2.gz ISEJPNIKUPEMSY-CQSZACIVSA-N 1 0 277.364 2.522 50 0 CFAARO Cc1cc(OC2CC[NH2+]CC2)ccc1Br ZINC000042774836 372956610 /nfs/dbraw/zinc/95/66/10/372956610.db2.gz HMDMDKZGOQPWSU-UHFFFAOYSA-N 1 0 270.170 2.888 50 0 CFAARO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000043214571 372983976 /nfs/dbraw/zinc/98/39/76/372983976.db2.gz HTSCGVPJZSCYDO-KGLIPLIRSA-N 1 0 276.380 2.514 50 0 CFAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000046878889 373065825 /nfs/dbraw/zinc/06/58/25/373065825.db2.gz AVQOSYPKWBCQLL-LLVKDONJSA-N 1 0 298.789 2.941 50 0 CFAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+](C)C)cc2)n1 ZINC000048196071 373152158 /nfs/dbraw/zinc/15/21/58/373152158.db2.gz GUMFJKYWWXFYGM-UHFFFAOYSA-N 1 0 285.391 2.841 50 0 CFAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000048275299 373158544 /nfs/dbraw/zinc/15/85/44/373158544.db2.gz GMIUUGBXDSNFRF-AWEZNQCLSA-N 1 0 298.430 2.780 50 0 CFAARO OCC1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000048335233 373165233 /nfs/dbraw/zinc/16/52/33/373165233.db2.gz MEHDYXXZBWUNTH-UHFFFAOYSA-N 1 0 274.339 2.578 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC000048354047 373169342 /nfs/dbraw/zinc/16/93/42/373169342.db2.gz RECPFWMOMRCLQH-LLVKDONJSA-N 1 0 284.762 2.693 50 0 CFAARO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000048838682 373224898 /nfs/dbraw/zinc/22/48/98/373224898.db2.gz QAHHQMUDQBSMBL-VIFPVBQESA-N 1 0 284.762 2.737 50 0 CFAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cccn1 ZINC000051876693 373414650 /nfs/dbraw/zinc/41/46/50/373414650.db2.gz ILXBEWDZUNQOCC-QAPCUYQASA-N 1 0 299.418 2.545 50 0 CFAARO FC(F)(F)c1cnc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000051872858 373415847 /nfs/dbraw/zinc/41/58/47/373415847.db2.gz CLGJXWYFGCLJIF-MRVPVSSYSA-N 1 0 280.677 2.885 50 0 CFAARO Cn1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1=O ZINC000052161774 373439439 /nfs/dbraw/zinc/43/94/39/373439439.db2.gz OBDVXKAKLYCERN-UHFFFAOYSA-N 1 0 286.350 2.689 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]CC2CCOCC2)cc1F ZINC000052177844 373439526 /nfs/dbraw/zinc/43/95/26/373439526.db2.gz WYPHTVVSZCYSIQ-LLVKDONJSA-N 1 0 267.344 2.912 50 0 CFAARO COc1ccc(F)cc1[C@H](C)[NH2+]CC1CCOCC1 ZINC000052178072 373440200 /nfs/dbraw/zinc/44/02/00/373440200.db2.gz GNNSXXVMWQTJNM-NSHDSACASA-N 1 0 267.344 2.912 50 0 CFAARO CCOc1ccc(NC(=O)C[NH2+]Cc2ccccc2)cc1 ZINC000052537320 373445809 /nfs/dbraw/zinc/44/58/09/373445809.db2.gz JPOBGEUNAVPOGQ-UHFFFAOYSA-N 1 0 284.359 2.814 50 0 CFAARO Cc1[nH]c2ccc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc2c1C ZINC000052641236 373449172 /nfs/dbraw/zinc/44/91/72/373449172.db2.gz XHNIHJYIEGAVCE-LBPRGKRZSA-N 1 0 299.418 2.999 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000053202268 373469416 /nfs/dbraw/zinc/46/94/16/373469416.db2.gz GKNTUIHFYICTEL-JTQLQIEISA-N 1 0 287.190 2.817 50 0 CFAARO Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)on1 ZINC000054225368 373506357 /nfs/dbraw/zinc/50/63/57/373506357.db2.gz HKBDFWLQPHQUKP-ZFWWWQNUSA-N 1 0 299.374 2.548 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000057525515 373596885 /nfs/dbraw/zinc/59/68/85/373596885.db2.gz ZEIFVOOQKLDCSX-UHFFFAOYSA-N 1 0 279.359 2.820 50 0 CFAARO C[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000057353129 373590024 /nfs/dbraw/zinc/59/00/24/373590024.db2.gz VFTCHSVKKNYEIP-UHFFFAOYSA-N 1 0 296.349 2.852 50 0 CFAARO c1cc(C[NH2+]CCc2nc3ccccc3[nH]2)cs1 ZINC000057353458 373590306 /nfs/dbraw/zinc/59/03/06/373590306.db2.gz VRRSWVLKKKGDOR-UHFFFAOYSA-N 1 0 257.362 2.957 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+]CCOc1ccccn1 ZINC000057353340 373590403 /nfs/dbraw/zinc/59/04/03/373590403.db2.gz WNRLJOMTRRJLCQ-UHFFFAOYSA-N 1 0 292.766 2.912 50 0 CFAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccnc2)c1 ZINC000055357627 373549701 /nfs/dbraw/zinc/54/97/01/373549701.db2.gz DTETYWWFJNLILE-CQSZACIVSA-N 1 0 255.365 2.848 50 0 CFAARO CCCCOc1c(C[NH2+][C@@H]2CCOC2)cccc1OC ZINC000055575961 373558552 /nfs/dbraw/zinc/55/85/52/373558552.db2.gz KSARFXGACPTFSM-CQSZACIVSA-N 1 0 279.380 2.753 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1ccccc1C(F)(F)F ZINC000057025658 373578522 /nfs/dbraw/zinc/57/85/22/373578522.db2.gz ZHSNXZFDBGGOSY-UHFFFAOYSA-N 1 0 288.313 2.777 50 0 CFAARO C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1 ZINC000058145776 373627526 /nfs/dbraw/zinc/62/75/26/373627526.db2.gz HXIGGNJUMXRBMW-HNNXBMFYSA-N 1 0 282.387 2.696 50 0 CFAARO C[NH+](C)C[C@H](NC(=O)CC1CCCC1)c1ccccc1 ZINC000058174137 373629512 /nfs/dbraw/zinc/62/95/12/373629512.db2.gz GQDBTTXXACZIFL-INIZCTEOSA-N 1 0 274.408 2.986 50 0 CFAARO C[NH+](C)C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000058173835 373629994 /nfs/dbraw/zinc/62/99/94/373629994.db2.gz AKWFUKCLZGUPGX-LLVKDONJSA-N 1 0 297.349 2.770 50 0 CFAARO Cc1ncc(C[NH+]2CCC(c3cc[nH]n3)CC2)s1 ZINC000058267246 373638517 /nfs/dbraw/zinc/63/85/17/373638517.db2.gz UNLDXFONKXBHOG-UHFFFAOYSA-N 1 0 262.382 2.554 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1 ZINC000058282873 373640367 /nfs/dbraw/zinc/64/03/67/373640367.db2.gz WTVGPFFCYNONIK-SFHVURJKSA-N 1 0 298.386 2.777 50 0 CFAARO CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058282536 373641158 /nfs/dbraw/zinc/64/11/58/373641158.db2.gz SHOVJMYDSPCPJM-OAHLLOKOSA-N 1 0 260.381 2.567 50 0 CFAARO COc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000058323807 373644790 /nfs/dbraw/zinc/64/47/90/373644790.db2.gz ZKQHIMXQARRQSK-ZDUSSCGKSA-N 1 0 291.395 2.547 50 0 CFAARO CC(C)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000058306954 373644814 /nfs/dbraw/zinc/64/48/14/373644814.db2.gz WNRVRUODZTYFDK-UHFFFAOYSA-N 1 0 284.350 2.511 50 0 CFAARO COc1c(C[NH2+][C@H]2CCc3cc(F)ccc32)c(C)nn1C ZINC000058405193 373654772 /nfs/dbraw/zinc/65/47/72/373654772.db2.gz DLXPJJOBQNSWJN-HNNXBMFYSA-N 1 0 289.354 2.653 50 0 CFAARO CCc1ccccc1NC(=S)NCC[NH+](CC)CC ZINC000059392819 373681235 /nfs/dbraw/zinc/68/12/35/373681235.db2.gz RZVXSTBCJYCNBM-UHFFFAOYSA-N 1 0 279.453 2.877 50 0 CFAARO CC(C)C[NH+]1CCC(Nc2ccc3nccnc3n2)CC1 ZINC000060320128 373690324 /nfs/dbraw/zinc/69/03/24/373690324.db2.gz BFRFBMJHRPGSFD-UHFFFAOYSA-N 1 0 285.395 2.557 50 0 CFAARO FC(F)(F)c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000061626465 373723953 /nfs/dbraw/zinc/72/39/53/373723953.db2.gz YYQQTHOOFPNXES-GFCCVEGCSA-N 1 0 258.287 2.547 50 0 CFAARO Cc1nc2ccccc2n1C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063883109 373817555 /nfs/dbraw/zinc/81/75/55/373817555.db2.gz VFAXYMRWSAAODX-QZTJIDSGSA-N 1 0 299.418 2.724 50 0 CFAARO C[C@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000065497382 373879184 /nfs/dbraw/zinc/87/91/84/373879184.db2.gz XWIBCLLRUOHOSS-GUYCJALGSA-N 1 0 251.395 2.526 50 0 CFAARO CCCCOc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000065501293 373879680 /nfs/dbraw/zinc/87/96/80/373879680.db2.gz IFFDVEPUVRUQDV-OAHLLOKOSA-N 1 0 271.364 2.824 50 0 CFAARO C[NH+]1CCC(NC(=O)CCc2cccc3ccccc32)CC1 ZINC000065362440 373857267 /nfs/dbraw/zinc/85/72/67/373857267.db2.gz GMXYUSLZQIGFBK-UHFFFAOYSA-N 1 0 296.414 2.983 50 0 CFAARO CCc1cnc(N2CC[NH+](Cc3ccc(C)cc3)CC2)nc1 ZINC000065372143 373858329 /nfs/dbraw/zinc/85/83/29/373858329.db2.gz WHNXCVWZVLVSLU-UHFFFAOYSA-N 1 0 296.418 2.670 50 0 CFAARO CC[C@H](C[NH2+]C1CCN(C)CC1)Cc1ccccc1 ZINC000065382885 373861676 /nfs/dbraw/zinc/86/16/76/373861676.db2.gz HRQZRRWCVAUMRK-HNNXBMFYSA-N 1 0 260.425 2.939 50 0 CFAARO CCN(Cc1ccc(C(C)=O)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000065375407 373861980 /nfs/dbraw/zinc/86/19/80/373861980.db2.gz QTEHUXFSJCASEI-MRXNPFEDSA-N 1 0 274.408 2.663 50 0 CFAARO C[N@H+]1CC=C(CCNC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000065386260 373863723 /nfs/dbraw/zinc/86/37/23/373863723.db2.gz ZPKDMOIZZSPVGM-UHFFFAOYSA-N 1 0 294.786 2.509 50 0 CFAARO Cc1nc[nH]c1C[N@@H+](C)Cc1ccccc1-n1cccn1 ZINC000065396570 373865748 /nfs/dbraw/zinc/86/57/48/373865748.db2.gz AZGRGGOXSTWGTB-UHFFFAOYSA-N 1 0 281.363 2.536 50 0 CFAARO Cc1ccccc1-c1noc(C[NH2+]CCc2ccccn2)n1 ZINC000065425422 373870342 /nfs/dbraw/zinc/87/03/42/373870342.db2.gz AMXFTDBUBLESHD-UHFFFAOYSA-N 1 0 294.358 2.772 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065453327 373873544 /nfs/dbraw/zinc/87/35/44/373873544.db2.gz MRHJOPLICFPIJJ-INIZCTEOSA-N 1 0 286.419 2.910 50 0 CFAARO C[C@@H](CC(C)(C)O)[NH2+]CCOc1ccccc1Cl ZINC000065490515 373877635 /nfs/dbraw/zinc/87/76/35/373877635.db2.gz YGMPGGKYTQEOLY-NSHDSACASA-N 1 0 271.788 2.858 50 0 CFAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1sccc1C ZINC000066137741 373915061 /nfs/dbraw/zinc/91/50/61/373915061.db2.gz BOQLLPAEKDRJSX-NSHDSACASA-N 1 0 254.399 2.517 50 0 CFAARO C=Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000067788399 374001241 /nfs/dbraw/zinc/00/12/41/374001241.db2.gz PWWCOPNPCMTINR-QGZVFWFLSA-N 1 0 270.376 2.545 50 0 CFAARO Cc1ccc2cc(C[NH+]3CCCCC3)c(=O)[nH]c2c1 ZINC000067789249 374001442 /nfs/dbraw/zinc/00/14/42/374001442.db2.gz UDCQOCZDKDCMIH-UHFFFAOYSA-N 1 0 256.349 2.822 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cnc3c(C)cccn23)n1 ZINC000067804946 374003642 /nfs/dbraw/zinc/00/36/42/374003642.db2.gz ZAHXBEHOGKUJKR-CQSZACIVSA-N 1 0 297.406 2.634 50 0 CFAARO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000067854940 374008729 /nfs/dbraw/zinc/00/87/29/374008729.db2.gz IYPSFBMEUPHEBT-MRXNPFEDSA-N 1 0 297.402 2.609 50 0 CFAARO C[C@@H](c1cccs1)[N@H+](C)Cc1cnn2cccnc12 ZINC000067868122 374010917 /nfs/dbraw/zinc/01/09/17/374010917.db2.gz AYWGWJVQSMZISL-NSHDSACASA-N 1 0 272.377 2.984 50 0 CFAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)CC3CC3)C2)cc1 ZINC000067869286 374013459 /nfs/dbraw/zinc/01/34/59/374013459.db2.gz FSMFOWGININOGH-KRWDZBQOSA-N 1 0 286.419 2.733 50 0 CFAARO Cc1cccc(-c2ncc(C[N@@H+](C)CC3(CO)CC3)cn2)c1 ZINC000067895253 374014040 /nfs/dbraw/zinc/01/40/40/374014040.db2.gz HBEURWKWPUSBDD-UHFFFAOYSA-N 1 0 297.402 2.656 50 0 CFAARO Cc1cccc(C[NH2+]C2CCN(c3ncccn3)CC2)c1C ZINC000067941618 374015155 /nfs/dbraw/zinc/01/51/55/374015155.db2.gz LMLDKEOGIRENCY-UHFFFAOYSA-N 1 0 296.418 2.852 50 0 CFAARO C[NH+](C)CCn1ccnc1-c1coc(-c2ccccc2)n1 ZINC000067975791 374018312 /nfs/dbraw/zinc/01/83/12/374018312.db2.gz WGSHBSRMUMDHLK-UHFFFAOYSA-N 1 0 282.347 2.767 50 0 CFAARO CC[NH+](CC)C[C@@H](C)NCc1ccc2nsnc2c1 ZINC000067458973 373978068 /nfs/dbraw/zinc/97/80/68/373978068.db2.gz LMDQXJSAZWYPAX-LLVKDONJSA-N 1 0 278.425 2.511 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2nc3ccccc3[nH]2)n1 ZINC000067649258 373987526 /nfs/dbraw/zinc/98/75/26/373987526.db2.gz QTBKCYDVPKDUSR-CYBMUJFWSA-N 1 0 297.406 2.597 50 0 CFAARO Cc1cc2nc(C[NH2+][C@@H](C)Cn3ccnc3)[nH]c2cc1C ZINC000067642511 373987815 /nfs/dbraw/zinc/98/78/15/373987815.db2.gz UAXNOCXFXUMFBP-ZDUSSCGKSA-N 1 0 283.379 2.555 50 0 CFAARO c1cnc2cccc(O[C@@]34CC[N@H+](C3)CCC4)c2c1 ZINC000067674289 373989591 /nfs/dbraw/zinc/98/95/91/373989591.db2.gz KKFFNPZHENZUTA-INIZCTEOSA-N 1 0 254.333 2.852 50 0 CFAARO CN1CCC[C@@]2(CC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1=O ZINC000067678310 373992289 /nfs/dbraw/zinc/99/22/89/373992289.db2.gz PTUIDDDQMZLBDC-SFHVURJKSA-N 1 0 297.402 2.612 50 0 CFAARO Cc1cc(C)cc(CCC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000067691907 373993468 /nfs/dbraw/zinc/99/34/68/373993468.db2.gz ALYPBJDEQPTRIX-QGZVFWFLSA-N 1 0 288.435 2.694 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCc2cccs2)n1 ZINC000069600283 374079128 /nfs/dbraw/zinc/07/91/28/374079128.db2.gz JHQQXWRIJKCKPP-CQSZACIVSA-N 1 0 290.436 2.664 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCc2cccs2)n1 ZINC000069600281 374079240 /nfs/dbraw/zinc/07/92/40/374079240.db2.gz JHQQXWRIJKCKPP-AWEZNQCLSA-N 1 0 290.436 2.664 50 0 CFAARO CC(C)C[N@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000068334827 374028128 /nfs/dbraw/zinc/02/81/28/374028128.db2.gz GNOOCJVMEQNCRO-GFCCVEGCSA-N 1 0 282.815 2.933 50 0 CFAARO CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000068577479 374034400 /nfs/dbraw/zinc/03/44/00/374034400.db2.gz BCUFIZDAINPDHF-GJZGRUSLSA-N 1 0 276.380 2.786 50 0 CFAARO CC(C)C[C@@H]1CN(CCCc2ccccc2)CC[NH2+]1 ZINC000068692912 374036377 /nfs/dbraw/zinc/03/63/77/374036377.db2.gz HNMXPIBGDPNBHL-QGZVFWFLSA-N 1 0 260.425 2.939 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000069351212 374055627 /nfs/dbraw/zinc/05/56/27/374055627.db2.gz LBTJWGXCZFMTRJ-NSHDSACASA-N 1 0 288.376 2.778 50 0 CFAARO CCn1c(C[NH2+][C@@H](C)[C@H](C)n2cccn2)nc2ccccc21 ZINC000069372393 374058023 /nfs/dbraw/zinc/05/80/23/374058023.db2.gz KPEWYTLXZBRENU-KBPBESRZSA-N 1 0 297.406 2.992 50 0 CFAARO CCc1noc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000069414471 374059934 /nfs/dbraw/zinc/05/99/34/374059934.db2.gz SSUJEFGYZHVLSH-CQSZACIVSA-N 1 0 271.364 2.839 50 0 CFAARO CC/C=C(/C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000069417599 374060960 /nfs/dbraw/zinc/06/09/60/374060960.db2.gz SJNMJPSCKQFYQD-QPEQYQDCSA-N 1 0 260.381 2.721 50 0 CFAARO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069654896 374082533 /nfs/dbraw/zinc/08/25/33/374082533.db2.gz RJOTVPACHXASPL-WBVHZDCISA-N 1 0 286.419 2.877 50 0 CFAARO c1nc2n(n1)C[C@@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000069459825 374066468 /nfs/dbraw/zinc/06/64/68/374066468.db2.gz GOGASXDMAIPIKZ-LBPRGKRZSA-N 1 0 284.388 2.597 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cccs1 ZINC000069490777 374068008 /nfs/dbraw/zinc/06/80/08/374068008.db2.gz VKCZSOYHFAWKHT-GJZGRUSLSA-N 1 0 292.448 2.766 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000069518034 374069787 /nfs/dbraw/zinc/06/97/87/374069787.db2.gz ABJHTZWHILESBO-SJORKVTESA-N 1 0 286.419 2.704 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC2CCCCC2)C1 ZINC000069569004 374074153 /nfs/dbraw/zinc/07/41/53/374074153.db2.gz XBYPFVSHKRWVLM-AWEZNQCLSA-N 1 0 281.444 2.739 50 0 CFAARO CCc1oc2ccccc2c1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069560302 374074185 /nfs/dbraw/zinc/07/41/85/374074185.db2.gz OJRCSQSXENFEPC-GFCCVEGCSA-N 1 0 296.374 2.691 50 0 CFAARO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069569564 374074377 /nfs/dbraw/zinc/07/43/77/374074377.db2.gz JQVZWPFQFLTYMJ-HIFRSBDPSA-N 1 0 274.408 2.779 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC2CCCC2)n1 ZINC000069582785 374076938 /nfs/dbraw/zinc/07/69/38/374076938.db2.gz MBEBWBSZRFLVLJ-OAHLLOKOSA-N 1 0 262.401 2.550 50 0 CFAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000069949413 374111755 /nfs/dbraw/zinc/11/17/55/374111755.db2.gz VIQGEPDFWXWTDW-HNNXBMFYSA-N 1 0 289.354 2.695 50 0 CFAARO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2)C[C@@H]1C ZINC000069707002 374087375 /nfs/dbraw/zinc/08/73/75/374087375.db2.gz QGSPMAVROBEOBD-JEJOPICUSA-N 1 0 288.435 2.742 50 0 CFAARO NC(=[NH2+])NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000069736901 374091804 /nfs/dbraw/zinc/09/18/04/374091804.db2.gz YCWPGERTFHSSBD-UHFFFAOYSA-N 1 0 294.152 2.692 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000069773462 374095505 /nfs/dbraw/zinc/09/55/05/374095505.db2.gz UISWANSAYHUFBF-QSOAKEGCSA-N 1 0 282.391 2.594 50 0 CFAARO CCOCCN1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000069840588 374102107 /nfs/dbraw/zinc/10/21/07/374102107.db2.gz XCJITTMHMVXRTN-HNNXBMFYSA-N 1 0 268.445 2.609 50 0 CFAARO CC[C@](C)(CO)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000069849254 374104882 /nfs/dbraw/zinc/10/48/82/374104882.db2.gz DCHLCKGIYVUGTG-MRXNPFEDSA-N 1 0 281.396 2.733 50 0 CFAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(Cl)o1)CC2 ZINC000069898467 374106959 /nfs/dbraw/zinc/10/69/59/374106959.db2.gz PMWPPRLLGMHBDB-JTQLQIEISA-N 1 0 294.786 2.753 50 0 CFAARO CC(C)[C@@H]([NH2+]C[C@@H]1CCOCO1)c1cccs1 ZINC000069895103 374107902 /nfs/dbraw/zinc/10/79/02/374107902.db2.gz YLJGRJNOYUJGBB-WCQYABFASA-N 1 0 255.383 2.798 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000070172791 374139589 /nfs/dbraw/zinc/13/95/89/374139589.db2.gz JMYXMEZWQQVDQF-VHSXEESVSA-N 1 0 284.762 2.679 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)cc1OC ZINC000070326419 374167183 /nfs/dbraw/zinc/16/71/83/374167183.db2.gz TZYJQZPMUZZHBD-UONOGXRCSA-N 1 0 279.380 2.751 50 0 CFAARO [NH3+]C1(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071753098 374221608 /nfs/dbraw/zinc/22/16/08/374221608.db2.gz SVNFCWLSSZNRCR-GFCCVEGCSA-N 1 0 278.783 2.537 50 0 CFAARO c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2c[nH]cn2)n1 ZINC000071775940 374223483 /nfs/dbraw/zinc/22/34/83/374223483.db2.gz GOLHPWNBNUGNQL-OAHLLOKOSA-N 1 0 293.374 2.720 50 0 CFAARO CN(C[C@H]1CCC[N@@H+]1C)c1nccc(C2CCCC2)n1 ZINC000071776486 374223728 /nfs/dbraw/zinc/22/37/28/374223728.db2.gz AHGVSCDZNROZPA-CQSZACIVSA-N 1 0 274.412 2.665 50 0 CFAARO C[C@@H]1CCC[N@H+](Cn2nccc2-c2cccnc2)C1 ZINC000071792382 374225892 /nfs/dbraw/zinc/22/58/92/374225892.db2.gz FIYIDQPTORBSOZ-CYBMUJFWSA-N 1 0 256.353 2.635 50 0 CFAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875808 374228203 /nfs/dbraw/zinc/22/82/03/374228203.db2.gz PGDHPIMOZYMZKP-INIZCTEOSA-N 1 0 295.390 2.504 50 0 CFAARO CC(=O)N(C)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000071899464 374230451 /nfs/dbraw/zinc/23/04/51/374230451.db2.gz RQDUFGGORNXMFE-UHFFFAOYSA-N 1 0 283.375 2.682 50 0 CFAARO Cc1cc2nc(C)cc(NCCCC[NH+]3CCCC3)n2n1 ZINC000072420376 374251945 /nfs/dbraw/zinc/25/19/45/374251945.db2.gz IRLBDIJGVRBCEJ-UHFFFAOYSA-N 1 0 287.411 2.634 50 0 CFAARO O=C(Nc1cc(-c2ccco2)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000072500161 374257765 /nfs/dbraw/zinc/25/77/65/374257765.db2.gz YOZLTZCPUHEYRS-LBPRGKRZSA-N 1 0 274.295 2.776 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCc2nnc(C)n2C1 ZINC000072267352 374238197 /nfs/dbraw/zinc/23/81/97/374238197.db2.gz MEINEUBKJGIFBQ-IDKBZEPQSA-N 1 0 296.418 2.842 50 0 CFAARO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccncc3)C2)no1 ZINC000072277654 374239810 /nfs/dbraw/zinc/23/98/10/374239810.db2.gz BTCSETGEUFDXNL-SMDDNHRTSA-N 1 0 272.352 2.714 50 0 CFAARO Cc1ccc(F)cc1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000072293068 374241616 /nfs/dbraw/zinc/24/16/16/374241616.db2.gz GCQVDCAGBDVYGC-NSHDSACASA-N 1 0 250.317 2.557 50 0 CFAARO CCOc1ccccc1C[NH2+]CCNc1ccccn1 ZINC000072310919 374244010 /nfs/dbraw/zinc/24/40/10/374244010.db2.gz FYIOGPVVURCEPY-UHFFFAOYSA-N 1 0 271.364 2.682 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000072989759 374315193 /nfs/dbraw/zinc/31/51/93/374315193.db2.gz GMZQYMGYYBVROS-ZDUSSCGKSA-N 1 0 264.369 2.814 50 0 CFAARO Cc1cc(NS(=O)(=O)c2ccc(F)cc2C)cc[nH+]1 ZINC000074932139 374447894 /nfs/dbraw/zinc/44/78/94/374447894.db2.gz NYRYKPINFCOEND-UHFFFAOYSA-N 1 0 280.324 2.638 50 0 CFAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2Cn2nc(C)cc2C)on1 ZINC000075131851 374459412 /nfs/dbraw/zinc/45/94/12/374459412.db2.gz HEXCVGDFXHTBAO-OAHLLOKOSA-N 1 0 288.395 2.851 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000075131865 374459730 /nfs/dbraw/zinc/45/97/30/374459730.db2.gz YOUSWEFISQGCST-KRWDZBQOSA-N 1 0 284.407 2.950 50 0 CFAARO CC[NH+](CC)CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000075560933 374491736 /nfs/dbraw/zinc/49/17/36/374491736.db2.gz ZNCPONYEEJCMLG-ZIAGYGMSSA-N 1 0 278.396 2.921 50 0 CFAARO c1ccc2c(c1)c1c(n2Cc2cccnc2)CC[NH2+]C1 ZINC000075567612 374493376 /nfs/dbraw/zinc/49/33/76/374493376.db2.gz JJQRPVJEPHJBIC-UHFFFAOYSA-N 1 0 263.344 2.730 50 0 CFAARO Cc1ccc(NCC[NH2+]Cc2ccccc2Cl)nn1 ZINC000075582523 374494109 /nfs/dbraw/zinc/49/41/09/374494109.db2.gz HWZHECFMEGOMGE-UHFFFAOYSA-N 1 0 276.771 2.640 50 0 CFAARO C[C@H](CC[NH+](C)C)Nc1ncnc2ccc(F)cc21 ZINC000076062864 374527192 /nfs/dbraw/zinc/52/71/92/374527192.db2.gz DCNBQXKQDKRFGY-SNVBAGLBSA-N 1 0 262.332 2.521 50 0 CFAARO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)C1CCCCC1 ZINC000079015318 374582284 /nfs/dbraw/zinc/58/22/84/374582284.db2.gz BOZSTEVEFPXXPI-CQSZACIVSA-N 1 0 274.408 2.975 50 0 CFAARO Cc1cc(NS(=O)(=O)c2cc(F)ccc2C)cc[nH+]1 ZINC000079029280 374583680 /nfs/dbraw/zinc/58/36/80/374583680.db2.gz DROBLHGQIXBBSR-UHFFFAOYSA-N 1 0 280.324 2.638 50 0 CFAARO Cc1cc(NS(=O)(=O)/C=C/c2ccccc2)cc[nH+]1 ZINC000079029276 374584816 /nfs/dbraw/zinc/58/48/16/374584816.db2.gz MHXCUIOTNHCRAG-CSKARUKUSA-N 1 0 274.345 2.803 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000083812910 374756676 /nfs/dbraw/zinc/75/66/76/374756676.db2.gz UVJOGWQLSPZSKI-RXBGNRNISA-N 1 0 286.419 2.543 50 0 CFAARO C[C@@](O)(C[NH2+]Cc1cccc2c[nH]nc21)C1CCCC1 ZINC000084024722 374760692 /nfs/dbraw/zinc/76/06/92/374760692.db2.gz WUTCRHSCEVKPNX-MRXNPFEDSA-N 1 0 273.380 2.594 50 0 CFAARO CCC[C@@H]1CN(Cc2nc3ccccc3[nH]2)C[C@H]1[NH+](C)C ZINC000082108799 374725649 /nfs/dbraw/zinc/72/56/49/374725649.db2.gz YFMFXEUQCPILSZ-CZUORRHYSA-N 1 0 286.423 2.725 50 0 CFAARO CCCCc1nc(Cl)c(CN2CCCC[C@H]([NH3+])C2)[nH]1 ZINC000082133561 374728162 /nfs/dbraw/zinc/72/81/62/374728162.db2.gz NEQKQZLWKDSXMP-NSHDSACASA-N 1 0 284.835 2.719 50 0 CFAARO C[NH+](C)[C@H]1CCCCN(Cc2ccc3nsnc3c2)C1 ZINC000082126365 374728247 /nfs/dbraw/zinc/72/82/47/374728247.db2.gz LCVSJVZQJBUAED-ZDUSSCGKSA-N 1 0 290.436 2.607 50 0 CFAARO CC(C)(C)OC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000082382627 374739713 /nfs/dbraw/zinc/73/97/13/374739713.db2.gz VQHYGMIQWQSSDQ-UHFFFAOYSA-N 1 0 268.401 2.729 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)C2CCC(CO)CC2)s1 ZINC000089924287 374969022 /nfs/dbraw/zinc/96/90/22/374969022.db2.gz NJTDYDHFPZHDOD-UHFFFAOYSA-N 1 0 297.420 2.518 50 0 CFAARO C[C@H](C(=O)Nc1cnc(C2CC2)nc1)[NH+]1CCCCCC1 ZINC000089598231 374928002 /nfs/dbraw/zinc/92/80/02/374928002.db2.gz PSJZTYZCKPTKCT-GFCCVEGCSA-N 1 0 288.395 2.557 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[S@](C)=O)[C@@H](C)C2 ZINC000252585395 189981719 /nfs/dbraw/zinc/98/17/19/189981719.db2.gz IGQDMTPCLDCTMJ-MCBIMKKHSA-N 1 0 279.449 2.975 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1cnn3ccccc13)CCC2 ZINC000089702148 374939445 /nfs/dbraw/zinc/93/94/45/374939445.db2.gz NBTCSIQYMWUUET-AWEZNQCLSA-N 1 0 295.390 2.506 50 0 CFAARO COCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000089929749 374970014 /nfs/dbraw/zinc/97/00/14/374970014.db2.gz IOICSJXRRNJGTG-HNNXBMFYSA-N 1 0 296.455 2.526 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@H]2CSCc3ccccc32)C1=O ZINC000089729225 374942505 /nfs/dbraw/zinc/94/25/05/374942505.db2.gz ULPQQAKRACYDCT-GJZGRUSLSA-N 1 0 290.432 2.573 50 0 CFAARO CN(CC[NH2+][C@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000089745531 374944076 /nfs/dbraw/zinc/94/40/76/374944076.db2.gz ZKNZDURBRUGDQZ-INIZCTEOSA-N 1 0 284.407 2.524 50 0 CFAARO CC1CC[NH+](CCNC(=O)OCc2ccccc2F)CC1 ZINC000089929972 374970916 /nfs/dbraw/zinc/97/09/16/374970916.db2.gz QHISAUPBXOHYRQ-UHFFFAOYSA-N 1 0 294.370 2.784 50 0 CFAARO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N1C1CC1 ZINC000089834916 374959085 /nfs/dbraw/zinc/95/90/85/374959085.db2.gz SCEBQEXKOXURIY-NVXWUHKLSA-N 1 0 284.403 2.662 50 0 CFAARO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000089942808 374975120 /nfs/dbraw/zinc/97/51/20/374975120.db2.gz ODHMIEBZJPOPHE-GDBMZVCRSA-N 1 0 287.407 2.768 50 0 CFAARO CCCc1csc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000089960467 374976379 /nfs/dbraw/zinc/97/63/79/374976379.db2.gz SAWBXOOBAGSBFA-NEPJUHHUSA-N 1 0 252.383 2.631 50 0 CFAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cscn1 ZINC000089949182 374976959 /nfs/dbraw/zinc/97/69/59/374976959.db2.gz XFCOWRICAXPIIR-GXTWGEPZSA-N 1 0 295.452 2.516 50 0 CFAARO Cc1ccc(C)c([C@H](O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000089937497 374972560 /nfs/dbraw/zinc/97/25/60/374972560.db2.gz KUQNDSSCFWRYIV-UKRRQHHQSA-N 1 0 265.422 2.774 50 0 CFAARO COc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1O ZINC000092540691 375121909 /nfs/dbraw/zinc/12/19/09/375121909.db2.gz GFRPEDIKWVUEPY-QWRGUYRKSA-N 1 0 267.394 2.727 50 0 CFAARO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c[nH]1 ZINC000093453520 375244134 /nfs/dbraw/zinc/24/41/34/375244134.db2.gz KOASQCOPODFFSG-MRXNPFEDSA-N 1 0 299.374 2.842 50 0 CFAARO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c[nH]1 ZINC000093315996 375210253 /nfs/dbraw/zinc/21/02/53/375210253.db2.gz KPNJTXLKOCUDMF-NSHDSACASA-N 1 0 288.347 2.700 50 0 CFAARO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093814069 375314133 /nfs/dbraw/zinc/31/41/33/375314133.db2.gz FXSIQDBZUMNEMX-MRXNPFEDSA-N 1 0 272.348 2.553 50 0 CFAARO COc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093866168 375322812 /nfs/dbraw/zinc/32/28/12/375322812.db2.gz CEOLONMVQCHNFA-MRXNPFEDSA-N 1 0 284.359 2.744 50 0 CFAARO Clc1cnccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094266985 375349335 /nfs/dbraw/zinc/34/93/35/375349335.db2.gz STLKZQAMSGBZTP-GHMZBOCLSA-N 1 0 251.761 2.774 50 0 CFAARO C[C@H](CC[NH+](C)C)NCc1nc(C(C)(C)C)cs1 ZINC000094965721 375400617 /nfs/dbraw/zinc/40/06/17/375400617.db2.gz YFJMKQLXALXAAJ-LLVKDONJSA-N 1 0 269.458 2.870 50 0 CFAARO [NH3+][C@H](C(=O)N1CCSc2ccccc2C1)c1ccccc1 ZINC000095466864 375458537 /nfs/dbraw/zinc/45/85/37/375458537.db2.gz OBXWLUSXFPNBSZ-INIZCTEOSA-N 1 0 298.411 2.821 50 0 CFAARO Cc1nccn1CC[N@@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095496705 375461245 /nfs/dbraw/zinc/46/12/45/375461245.db2.gz HLDQBCQMZYJBRH-INIZCTEOSA-N 1 0 299.418 2.765 50 0 CFAARO Cc1ccnc(N[C@H](CC[NH+](C)C)c2ccccc2)n1 ZINC000095356179 375419779 /nfs/dbraw/zinc/41/97/79/375419779.db2.gz ACDGKRBMCILGLZ-OAHLLOKOSA-N 1 0 270.380 2.890 50 0 CFAARO CCn1nc(-c2cccc([C@@H](C)[NH+](C)C)c2)nc1N(C)C ZINC000096153435 375470044 /nfs/dbraw/zinc/47/00/44/375470044.db2.gz PSFILNNLDZFKNK-GFCCVEGCSA-N 1 0 287.411 2.654 50 0 CFAARO CC(C)c1ccnc(NCCCC[NH+]2CCCC2)n1 ZINC000095363761 375421894 /nfs/dbraw/zinc/42/18/94/375421894.db2.gz OKUHWXUQFGLOCY-UHFFFAOYSA-N 1 0 262.401 2.888 50 0 CFAARO CSc1n[nH]c(-c2cccc([C@@H](C)[NH+](C)C)c2)n1 ZINC000096152737 375470124 /nfs/dbraw/zinc/47/01/24/375470124.db2.gz WDYZKHLLYIVFQZ-SECBINFHSA-N 1 0 262.382 2.816 50 0 CFAARO Cc1cnc(NCC[C@H]2CCCC[N@H+]2C(C)C)nc1 ZINC000095371956 375423518 /nfs/dbraw/zinc/42/35/18/375423518.db2.gz ICIXXUGKBXNYLE-CQSZACIVSA-N 1 0 262.401 2.850 50 0 CFAARO CCCc1nnc(NC[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC000095381872 375426464 /nfs/dbraw/zinc/42/64/64/375426464.db2.gz QJULXAPQCRYJIZ-LBPRGKRZSA-N 1 0 266.389 2.554 50 0 CFAARO CCCCn1ccnc1[C@@H]1CCC[N@H+](CCOC)C1 ZINC000095384971 375427001 /nfs/dbraw/zinc/42/70/01/375427001.db2.gz NMEIPKZVWCUFHN-CQSZACIVSA-N 1 0 265.401 2.509 50 0 CFAARO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1 ZINC000095422378 375441283 /nfs/dbraw/zinc/44/12/83/375441283.db2.gz FMLLJHKXHLTSJM-JQFCIGGWSA-N 1 0 293.407 2.666 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)cc1C ZINC000095423920 375441842 /nfs/dbraw/zinc/44/18/42/375441842.db2.gz YXKCHUAEHVSMNC-UONOGXRCSA-N 1 0 283.437 2.777 50 0 CFAARO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000095427563 375443399 /nfs/dbraw/zinc/44/33/99/375443399.db2.gz TUFQBPWSIQDLEQ-BXKDBHETSA-N 1 0 252.383 2.515 50 0 CFAARO CS[C@@H]1CCCC[N@H+](CCc2ccncc2)C1 ZINC000095432364 375446609 /nfs/dbraw/zinc/44/66/09/375446609.db2.gz YWYVHWKCDXTVCY-CQSZACIVSA-N 1 0 250.411 2.842 50 0 CFAARO CCC(CC)(C[NH2+]C[C@H]1CC=CCC1)S(C)(=O)=O ZINC000095434066 375447152 /nfs/dbraw/zinc/44/71/52/375447152.db2.gz UCQXJBKVQPXICH-ZDUSSCGKSA-N 1 0 273.442 2.536 50 0 CFAARO O=C(c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000095434117 375448626 /nfs/dbraw/zinc/44/86/26/375448626.db2.gz QBSBLTOISHFFFC-WBVHZDCISA-N 1 0 284.403 2.847 50 0 CFAARO CCc1ccc([C@H](CO)[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC000095440175 375450541 /nfs/dbraw/zinc/45/05/41/375450541.db2.gz QQNDEWZFICLECM-KRWDZBQOSA-N 1 0 299.418 2.533 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000095448927 375454142 /nfs/dbraw/zinc/45/41/42/375454142.db2.gz UNSCPEMUDCKODQ-ZANVPECISA-N 1 0 280.393 2.955 50 0 CFAARO C[S@](=O)C[C@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000097143291 375530534 /nfs/dbraw/zinc/53/05/34/375530534.db2.gz JFYSNDCWVWBSKL-KBXCAEBGSA-N 1 0 279.430 2.958 50 0 CFAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC000097199353 375537054 /nfs/dbraw/zinc/53/70/54/375537054.db2.gz AQUSKNYVWJDJHG-ZDUSSCGKSA-N 1 0 296.374 2.691 50 0 CFAARO COc1ccc([C@H](C)[NH2+][C@]2(C)CCOC2)cc1F ZINC000097038518 375498224 /nfs/dbraw/zinc/49/82/24/375498224.db2.gz JJVMFXMYFLMOHP-IINYFYTJSA-N 1 0 253.317 2.664 50 0 CFAARO COc1ccc([C@@H](C)[NH2+][C@]2(C)CCOC2)cc1F ZINC000097038520 375498374 /nfs/dbraw/zinc/49/83/74/375498374.db2.gz JJVMFXMYFLMOHP-QMTHXVAHSA-N 1 0 253.317 2.664 50 0 CFAARO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2csnn2)CCO1 ZINC000097048902 375502969 /nfs/dbraw/zinc/50/29/69/375502969.db2.gz MNQTVNFIXCUHCV-DGCLKSJQSA-N 1 0 269.414 2.612 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH2+]CCn2cnnc2C2CC2)[C@@H]1C ZINC000097080737 375508969 /nfs/dbraw/zinc/50/89/69/375508969.db2.gz OGIFXGZKBALTDY-YRGRVCCFSA-N 1 0 262.401 2.570 50 0 CFAARO COc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000097084847 375511475 /nfs/dbraw/zinc/51/14/75/375511475.db2.gz PQWNTEHHNBXLES-UHFFFAOYSA-N 1 0 298.390 2.562 50 0 CFAARO Cc1cn2c(C[N@H+](C)CCC(C)(C)O)c(C)nc2s1 ZINC000097086156 375513376 /nfs/dbraw/zinc/51/33/76/375513376.db2.gz SUMHCSIFYDBZAI-UHFFFAOYSA-N 1 0 281.425 2.605 50 0 CFAARO COc1cccc([C@H]2CCC[N@@H+]2CCC2OCCO2)c1 ZINC000097094922 375515272 /nfs/dbraw/zinc/51/52/72/375515272.db2.gz SYZZEQDJQWOFRO-OAHLLOKOSA-N 1 0 277.364 2.595 50 0 CFAARO Cc1cc([C@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)c(C)s1 ZINC000097109675 375521387 /nfs/dbraw/zinc/52/13/87/375521387.db2.gz QBKMUHRFOFFAOP-ONGXEEELSA-N 1 0 289.466 2.696 50 0 CFAARO CCCn1nc(C)c(C[N@@H+]2CCCSCC2)c1C ZINC000097113632 375524307 /nfs/dbraw/zinc/52/43/07/375524307.db2.gz KHQGZMRQUBKRBG-UHFFFAOYSA-N 1 0 267.442 2.849 50 0 CFAARO c1cc2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2s1 ZINC000097334351 375550193 /nfs/dbraw/zinc/55/01/93/375550193.db2.gz BLKZMUFIOLMFKC-UHFFFAOYSA-N 1 0 255.346 2.937 50 0 CFAARO Fc1cccc(CN2CCCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC000097436871 375559815 /nfs/dbraw/zinc/55/98/15/375559815.db2.gz ZPKOECRBEPFZMY-QGZVFWFLSA-N 1 0 292.398 2.512 50 0 CFAARO [NH3+]Cc1ccc(NC(=O)NCCCC[C@H]2CCCO2)cc1 ZINC000097463725 375562369 /nfs/dbraw/zinc/56/23/69/375562369.db2.gz OJBMIELDHXDUBS-HNNXBMFYSA-N 1 0 291.395 2.616 50 0 CFAARO CC[N@H+](CC(=O)N(CC(C)C)CC(F)(F)F)C1CC1 ZINC000097478320 375566385 /nfs/dbraw/zinc/56/63/85/375566385.db2.gz WHCLRRDOIYUSTN-UHFFFAOYSA-N 1 0 280.334 2.518 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCc1ccc(Cl)cc1 ZINC000097579018 375570160 /nfs/dbraw/zinc/57/01/60/375570160.db2.gz GMUBBWICKDROBV-OAHLLOKOSA-N 1 0 294.826 2.873 50 0 CFAARO c1ccc(-n2nc(C3CCOCC3)nc2[C@H]2CCC[NH2+]2)cc1 ZINC000097660581 375577360 /nfs/dbraw/zinc/57/73/60/375577360.db2.gz PVLIKLJVAYKMGA-OAHLLOKOSA-N 1 0 298.390 2.586 50 0 CFAARO CCc1c2ccccc2[nH]c1C(=O)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000097729513 375582538 /nfs/dbraw/zinc/58/25/38/375582538.db2.gz HPRZUNJXYODQHB-BLLLJJGKSA-N 1 0 297.402 2.554 50 0 CFAARO [NH2+]=C1c2ccccc2CN1CC(=O)c1ccccc1 ZINC000100668071 375626116 /nfs/dbraw/zinc/62/61/16/375626116.db2.gz GMXDICRNXLEYQM-UHFFFAOYSA-N 1 0 250.301 2.710 50 0 CFAARO CC/C=C(\C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000101395859 375636016 /nfs/dbraw/zinc/63/60/16/375636016.db2.gz HAZVVIPYYAIIJL-VGOFMYFVSA-N 1 0 290.407 2.600 50 0 CFAARO C[C@@H]1Oc2ccccc2[C@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000102196809 375667037 /nfs/dbraw/zinc/66/70/37/375667037.db2.gz BXDXXMHVUIZCKR-AFAVFJNCSA-N 1 0 269.344 2.659 50 0 CFAARO Cc1cccc(Cn2cc[n+](COCC(C)C)c2)c1 ZINC000261492799 190039209 /nfs/dbraw/zinc/03/92/09/190039209.db2.gz DIBJUMHWJJGPKB-UHFFFAOYSA-N 1 0 259.373 2.762 50 0 CFAARO CC[C@H](C)COC[n+]1ccn(CCOc2ccccc2)c1 ZINC000261492913 190039392 /nfs/dbraw/zinc/03/93/92/190039392.db2.gz NJNIKWNBJYKAAL-INIZCTEOSA-N 1 0 289.399 2.875 50 0 CFAARO CC(C)(C)C(=O)NCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129745805 377468117 /nfs/dbraw/zinc/46/81/17/377468117.db2.gz ZNHSGCQAQCNOHD-WDEREUQCSA-N 1 0 294.361 2.859 50 0 CFAARO CCc1nc(C[NH2+]C[C@@H]2CSCCS2)cs1 ZINC000129892743 377486193 /nfs/dbraw/zinc/48/61/93/377486193.db2.gz WMPOTTWLSVHFBF-SNVBAGLBSA-N 1 0 274.480 2.644 50 0 CFAARO CC(=O)NC1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000132932220 377887710 /nfs/dbraw/zinc/88/77/10/377887710.db2.gz KBUQNSQBNTWPPP-KLAILNCOSA-N 1 0 286.419 2.753 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000133139487 377907820 /nfs/dbraw/zinc/90/78/20/377907820.db2.gz ARZMSOPPDCKKPI-GJZGRUSLSA-N 1 0 274.408 2.699 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC000133143977 377908015 /nfs/dbraw/zinc/90/80/15/377908015.db2.gz DBRWICTUWIJLGZ-DZGCQCFKSA-N 1 0 292.398 2.605 50 0 CFAARO Cc1cc([C@H](C)[NH2+]C[C@@H](C)O)ccc1Br ZINC000134539376 378029361 /nfs/dbraw/zinc/02/93/61/378029361.db2.gz PVNLLFPZPXVPTL-ZJUUUORDSA-N 1 0 272.186 2.789 50 0 CFAARO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)s1 ZINC000134818806 378051798 /nfs/dbraw/zinc/05/17/98/378051798.db2.gz QJULAGKLCPISDP-SSDOTTSWSA-N 1 0 260.790 2.564 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000152591161 378431566 /nfs/dbraw/zinc/43/15/66/378431566.db2.gz SHFLQTBCCIRJEH-CFVMTHIKSA-N 1 0 259.397 2.849 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(F)c1Cl ZINC000156482360 378639690 /nfs/dbraw/zinc/63/96/90/378639690.db2.gz FFNZZTWKSUYEQS-CABZTGNLSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@H](CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499340 194013041 /nfs/dbraw/zinc/01/30/41/194013041.db2.gz NGHNZZFELNBHNY-ZBFHGGJFSA-N 1 0 295.448 2.689 50 0 CFAARO O=C(NCC[NH+]1CCCCCC1)c1cc(O)ccc1Cl ZINC000278504457 194017175 /nfs/dbraw/zinc/01/71/75/194017175.db2.gz AUMDSADWQJLKLO-UHFFFAOYSA-N 1 0 296.798 2.651 50 0 CFAARO Fc1cccc(C[C@H]2CCOC3(CC[NH2+]CC3)C2)c1 ZINC000169676629 379107855 /nfs/dbraw/zinc/10/78/55/379107855.db2.gz FWYJIJZACCGEHT-CQSZACIVSA-N 1 0 263.356 2.917 50 0 CFAARO Cc1cc(CN2CC[NH+](Cc3ccccc3C)CC2)no1 ZINC000048345382 412903830 /nfs/dbraw/zinc/90/38/30/412903830.db2.gz HXGUCMRNAIPPDX-UHFFFAOYSA-N 1 0 285.391 2.609 50 0 CFAARO CCCOc1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1OC ZINC000170595402 379123727 /nfs/dbraw/zinc/12/37/27/379123727.db2.gz HHPKNGPWZUXLBC-MRXNPFEDSA-N 1 0 295.423 2.981 50 0 CFAARO CCCc1noc(C[N@@H+]2CCCC[C@@H](CCOC)C2)n1 ZINC000170597104 379125093 /nfs/dbraw/zinc/12/50/93/379125093.db2.gz MQXXOFWUESQEJA-ZDUSSCGKSA-N 1 0 281.400 2.661 50 0 CFAARO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)CCOC(C)C ZINC000170606431 379126384 /nfs/dbraw/zinc/12/63/84/379126384.db2.gz VZECPGIGXOOZLN-LSDHHAIUSA-N 1 0 257.418 2.817 50 0 CFAARO CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N(C)C ZINC000170607730 379127650 /nfs/dbraw/zinc/12/76/50/379127650.db2.gz RJWPONFYQFTBAG-LBPRGKRZSA-N 1 0 266.410 2.536 50 0 CFAARO CC(C)(CCS(C)(=O)=O)[NH2+]Cc1ccc(Cl)s1 ZINC000174640408 379922218 /nfs/dbraw/zinc/92/22/18/379922218.db2.gz RFMIDYXGJDWFKF-UHFFFAOYSA-N 1 0 295.857 2.704 50 0 CFAARO Cc1c[nH+]c(C)n1CCC1CCN(C(=O)C2CC2)CC1 ZINC000409420923 380960133 /nfs/dbraw/zinc/96/01/33/380960133.db2.gz DLCZRLLWKKZKFU-UHFFFAOYSA-N 1 0 275.396 2.539 50 0 CFAARO COc1ccc([C@@H]([NH2+]CC[C@H]2CCNC2=O)C(C)C)cc1 ZINC000408523304 380939308 /nfs/dbraw/zinc/93/93/08/380939308.db2.gz IPCMJJSFLQBONE-HOCLYGCPSA-N 1 0 290.407 2.508 50 0 CFAARO C[C@@H](c1nccc(N)n1)[N@H+](C)CCCc1ccccc1 ZINC000408523347 380940297 /nfs/dbraw/zinc/94/02/97/380940297.db2.gz IXBKJDARMRNZDS-ZDUSSCGKSA-N 1 0 270.380 2.515 50 0 CFAARO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000182404994 381083822 /nfs/dbraw/zinc/08/38/22/381083822.db2.gz VRIKBHQGLZJQFN-QGZVFWFLSA-N 1 0 297.402 2.929 50 0 CFAARO NC(=O)[C@H]([NH2+]CCc1ccccc1Cl)c1ccccc1 ZINC000049394242 412942523 /nfs/dbraw/zinc/94/25/23/412942523.db2.gz AKTIVJFZMDGARE-OAHLLOKOSA-N 1 0 288.778 2.699 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]C2CCC(O)CC2)cc1OC ZINC000000221660 169579526 /nfs/dbraw/zinc/57/95/26/169579526.db2.gz XSFILMARCGIZSZ-GRTSSRMGSA-N 1 0 293.407 2.528 50 0 CFAARO O=C(c1ccoc1)N1CCCN(Cc2ccsc2)CC1 ZINC000371412949 381619159 /nfs/dbraw/zinc/61/91/59/381619159.db2.gz ZIUWVDXMJSXPTK-UHFFFAOYSA-N 1 0 290.388 2.689 50 0 CFAARO O=C([C@H]1CC12CC[NH2+]CC2)N1CC=C(c2ccccc2)CC1 ZINC000299781447 382045405 /nfs/dbraw/zinc/04/54/05/382045405.db2.gz WDNHHERBDLPRPK-QGZVFWFLSA-N 1 0 296.414 2.692 50 0 CFAARO COc1ccc(C[NH2+]C2CC2)cc1OCCc1ccccn1 ZINC000299773867 382046633 /nfs/dbraw/zinc/04/66/33/382046633.db2.gz GNQUESBIVKTYCK-UHFFFAOYSA-N 1 0 298.386 2.964 50 0 CFAARO O=C(Nc1ccccn1)c1cccc(C2CC[NH2+]CC2)c1 ZINC000299803735 382050229 /nfs/dbraw/zinc/05/02/29/382050229.db2.gz AELKUSISIMKDJU-UHFFFAOYSA-N 1 0 281.359 2.801 50 0 CFAARO C[C@H]1CN(CCSc2ncc(C(C)(C)C)o2)CCO1 ZINC000188326359 382393226 /nfs/dbraw/zinc/39/32/26/382393226.db2.gz CXUATXIKGVVHDY-NSHDSACASA-N 1 0 284.425 2.785 50 0 CFAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000189474598 382613502 /nfs/dbraw/zinc/61/35/02/382613502.db2.gz HZYUJJFVKAFJDC-YPMHNXCESA-N 1 0 284.762 2.613 50 0 CFAARO CC(C)OC1CC([NH2+]C[C@@H](CCO)c2ccccc2)C1 ZINC000189539901 382621356 /nfs/dbraw/zinc/62/13/56/382621356.db2.gz PMQUOCPLITVNMW-KLAILNCOSA-N 1 0 277.408 2.698 50 0 CFAARO COC[C@@H]([NH2+]CCc1nc(C)no1)c1ccc(Cl)cc1 ZINC000194091766 382734657 /nfs/dbraw/zinc/73/46/57/382734657.db2.gz GALTTZIETBFGNZ-CYBMUJFWSA-N 1 0 295.770 2.551 50 0 CFAARO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000191175165 382694450 /nfs/dbraw/zinc/69/44/50/382694450.db2.gz CUSXYZKLIMFNIR-GFCCVEGCSA-N 1 0 292.810 2.863 50 0 CFAARO Cc1csc([C@H]2CCCN(CC[NH2+]C(C)C)C2)n1 ZINC000193432208 382719816 /nfs/dbraw/zinc/71/98/16/382719816.db2.gz HECXDGXDADKTQA-ZDUSSCGKSA-N 1 0 267.442 2.629 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCN(C2CCOCC2)CC1 ZINC000191076735 382690154 /nfs/dbraw/zinc/69/01/54/382690154.db2.gz AXEIYHPMRVJNND-AEFFLSMTSA-N 1 0 292.467 2.775 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C2CCOCC2)CC1 ZINC000191076785 382690158 /nfs/dbraw/zinc/69/01/58/382690158.db2.gz AXEIYHPMRVJNND-FUHWJXTLSA-N 1 0 292.467 2.775 50 0 CFAARO C[NH2+]C[C@@H](C)C(=O)N[C@@H](c1cccc(OC)c1)C(C)(C)C ZINC000195543648 382769403 /nfs/dbraw/zinc/76/94/03/382769403.db2.gz UXUGYHUBNJUTLZ-DOMZBBRYSA-N 1 0 292.423 2.754 50 0 CFAARO O[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F)C(F)(F)F ZINC000195570161 382769963 /nfs/dbraw/zinc/76/99/63/382769963.db2.gz JEJCURJKGQZYBR-BIIVOSGPSA-N 1 0 279.224 2.620 50 0 CFAARO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C)n1 ZINC000575607177 382775224 /nfs/dbraw/zinc/77/52/24/382775224.db2.gz WJOHZPCXFONQKS-FUNVUKJBSA-N 1 0 252.383 2.593 50 0 CFAARO CSc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000215055235 382777361 /nfs/dbraw/zinc/77/73/61/382777361.db2.gz DFTWTWNPGUHLNH-CQSZACIVSA-N 1 0 262.422 2.689 50 0 CFAARO Clc1ccc(CN2CC([NH+]3CCCCC3)C2)o1 ZINC000215430871 382778331 /nfs/dbraw/zinc/77/83/31/382778331.db2.gz UINXTBQGXJOVOU-UHFFFAOYSA-N 1 0 254.761 2.603 50 0 CFAARO Cc1ccc(F)c(CNC(=O)C[C@H]2CCCC[N@H+]2C)c1F ZINC000215351680 382778394 /nfs/dbraw/zinc/77/83/94/382778394.db2.gz MPRONOBXSSSBSL-GFCCVEGCSA-N 1 0 296.361 2.764 50 0 CFAARO OCC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000215472381 382779291 /nfs/dbraw/zinc/77/92/91/382779291.db2.gz HXHZGTPTGKIIMJ-HNNXBMFYSA-N 1 0 258.365 2.905 50 0 CFAARO COCC[N@@H+]1CC[C@H](CN(C)Cc2cccc(F)c2C)C1 ZINC000215652043 382779808 /nfs/dbraw/zinc/77/98/08/382779808.db2.gz MKCHXKYANXPXPJ-OAHLLOKOSA-N 1 0 294.414 2.534 50 0 CFAARO COCC[N@@H+]1CC[C@@H](CN(C)Cc2cccc(F)c2C)C1 ZINC000215651995 382779915 /nfs/dbraw/zinc/77/99/15/382779915.db2.gz MKCHXKYANXPXPJ-HNNXBMFYSA-N 1 0 294.414 2.534 50 0 CFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1coc(-c3ccccc3)n1)C2 ZINC000215726811 382780479 /nfs/dbraw/zinc/78/04/79/382780479.db2.gz GBEJEMGRXNXPFC-WMLDXEAASA-N 1 0 297.402 2.868 50 0 CFAARO CN(C)c1ccc(C[N@H+](C)CCC[C@H]2CCCO2)cn1 ZINC000215837343 382780674 /nfs/dbraw/zinc/78/06/74/382780674.db2.gz ARWXPSHLTJQOMA-HNNXBMFYSA-N 1 0 277.412 2.539 50 0 CFAARO COC[C@@H]1CC[N@H+](Cc2ccc3cccc(OC)c3n2)C1 ZINC000215957551 382781341 /nfs/dbraw/zinc/78/13/41/382781341.db2.gz DFZMJJJXTMTPDO-CYBMUJFWSA-N 1 0 286.375 2.712 50 0 CFAARO CCCCSc1ncc(CN2CCC[C@@H](OC)C2)cn1 ZINC000215999782 382781381 /nfs/dbraw/zinc/78/13/81/382781381.db2.gz UFZSKIRCWLOUHR-CQSZACIVSA-N 1 0 295.452 2.980 50 0 CFAARO COc1c(F)cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1F ZINC000216145618 382781950 /nfs/dbraw/zinc/78/19/50/382781950.db2.gz ZQYSSZHTGYUETI-CYBMUJFWSA-N 1 0 298.377 2.890 50 0 CFAARO COCCC[C@@H]1CCC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000216251490 382782648 /nfs/dbraw/zinc/78/26/48/382782648.db2.gz LYOYIVQKANSBSY-AWEZNQCLSA-N 1 0 265.401 2.665 50 0 CFAARO Cc1cc(C[N@H+](C)CC[C@H](O)c2ccccc2)on1 ZINC000216375701 382782915 /nfs/dbraw/zinc/78/29/15/382782915.db2.gz HSGZSSURWLHSFZ-HNNXBMFYSA-N 1 0 260.337 2.539 50 0 CFAARO CCOC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(COC)c1 ZINC000216347700 382783056 /nfs/dbraw/zinc/78/30/56/382783056.db2.gz SAEGMGKKSLABER-INIZCTEOSA-N 1 0 293.407 2.843 50 0 CFAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCCO)c(F)c1 ZINC000216347878 382783210 /nfs/dbraw/zinc/78/32/10/382783210.db2.gz KDSVAEGMLLHKOO-CQSZACIVSA-N 1 0 281.371 2.961 50 0 CFAARO COc1ccc(F)c(F)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000216338127 382783216 /nfs/dbraw/zinc/78/32/16/382783216.db2.gz PYAUGIINKAYUJJ-GFCCVEGCSA-N 1 0 298.377 2.890 50 0 CFAARO C[C@H]1C[N@H+](Cc2cccc3cccnc32)[C@@H](C)CO1 ZINC000225220031 382813425 /nfs/dbraw/zinc/81/34/25/382813425.db2.gz KJJQPHAQWNARPC-STQMWFEESA-N 1 0 256.349 2.844 50 0 CFAARO c1ccc2oc(N3CC[N@H+]4CCCC[C@H]4C3)nc2c1 ZINC000225235850 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ZINC000225614149 382819242 /nfs/dbraw/zinc/81/92/42/382819242.db2.gz FRUIYOVYNJFQKA-CYBMUJFWSA-N 1 0 292.333 2.533 50 0 CFAARO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229209818 382851073 /nfs/dbraw/zinc/85/10/73/382851073.db2.gz JWRYWZCCLVWTRM-IAGOWNOFSA-N 1 0 280.371 2.703 50 0 CFAARO CCCC[N@@H+]1CCN(C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000229376874 382851085 /nfs/dbraw/zinc/85/10/85/382851085.db2.gz ANXDHFAREHYFSO-DOTOQJQBSA-N 1 0 276.424 2.526 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000225786361 382821559 /nfs/dbraw/zinc/82/15/59/382821559.db2.gz IQEQWZWTWDZLSJ-UHFFFAOYSA-N 1 0 287.469 2.647 50 0 CFAARO C[N@@H+]1C[C@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751615 382831044 /nfs/dbraw/zinc/83/10/44/382831044.db2.gz ZUTKUMRHLZENHR-SJORKVTESA-N 1 0 280.371 2.971 50 0 CFAARO O=c1cc(C[N@@H+]2C[C@H]3CCCCC[C@H]32)nc2sccn21 ZINC000230173280 382857104 /nfs/dbraw/zinc/85/71/04/382857104.db2.gz WANMWISPJBPVNA-DGCLKSJQSA-N 1 0 289.404 2.521 50 0 CFAARO COc1ccccc1OCCC[NH+]1CCSCC1 ZINC000231530230 382865540 /nfs/dbraw/zinc/86/55/40/382865540.db2.gz KNEOFSMPVGVXHE-UHFFFAOYSA-N 1 0 267.394 2.513 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000233838689 382872618 /nfs/dbraw/zinc/87/26/18/382872618.db2.gz SLAACSBZTKIVHG-HUUCEWRRSA-N 1 0 292.448 2.567 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(/C)c2ccccc2F)C1 ZINC000237193180 382952335 /nfs/dbraw/zinc/95/23/35/382952335.db2.gz DTFQDVRSPMSNFE-ZVHGMHCTSA-N 1 0 290.382 2.687 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(F)c(CSC)c1 ZINC000237256190 382955012 /nfs/dbraw/zinc/95/50/12/382955012.db2.gz CSRFADHFGYAULI-CYBMUJFWSA-N 1 0 296.411 2.513 50 0 CFAARO C[C@H](CCc1ccccc1F)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237522059 382963429 /nfs/dbraw/zinc/96/34/29/382963429.db2.gz HZHUJLMHYGMUEP-HIFRSBDPSA-N 1 0 292.398 2.734 50 0 CFAARO C=Cn1cc(C[NH2+]C2CCC(O)(c3ccccc3)CC2)cn1 ZINC000240444231 382982207 /nfs/dbraw/zinc/98/22/07/382982207.db2.gz FWUIAEXJCRAFCJ-UHFFFAOYSA-N 1 0 297.402 2.904 50 0 CFAARO COCc1cccc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)c1 ZINC000242339306 382986032 /nfs/dbraw/zinc/98/60/32/382986032.db2.gz ZGRSCPDOJLDMJB-PBHICJAKSA-N 1 0 277.408 2.816 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(CCCc2cccnc2)C1 ZINC000243885600 382987161 /nfs/dbraw/zinc/98/71/61/382987161.db2.gz AATLNKPWDJNZCC-OAHLLOKOSA-N 1 0 273.424 2.573 50 0 CFAARO Cc1cc(C)n([C@@H]2CC[N@@H+](C3CCSCC3)C2)n1 ZINC000244633481 382989471 /nfs/dbraw/zinc/98/94/71/382989471.db2.gz GDRRUAXHDZFXIR-CQSZACIVSA-N 1 0 265.426 2.642 50 0 CFAARO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1cncn1C1CC1 ZINC000244724122 382991872 /nfs/dbraw/zinc/99/18/72/382991872.db2.gz MNYOIISHCBVMAI-QGZVFWFLSA-N 1 0 285.391 2.774 50 0 CFAARO COC[C@@H](c1ccccn1)[N@H+](C)CCOc1ccccc1 ZINC000244795174 382992959 /nfs/dbraw/zinc/99/29/59/382992959.db2.gz RAYYYCDOZJCSPD-KRWDZBQOSA-N 1 0 286.375 2.780 50 0 CFAARO CCc1ccccc1NC(=O)CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000244873080 382994699 /nfs/dbraw/zinc/99/46/99/382994699.db2.gz WJSSIBUAPSPOFQ-AWEZNQCLSA-N 1 0 290.407 2.688 50 0 CFAARO CC(=O)O[C@@H]1CC[N@@H+](CCc2ccccc2)[C@H](C)[C@@H]1C ZINC000245257284 382996960 /nfs/dbraw/zinc/99/69/60/382996960.db2.gz YNNDIBSJMPQCKB-JJRVBVJISA-N 1 0 275.392 2.891 50 0 CFAARO CCCCO[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3ncnc32)C1(C)C ZINC000245881312 383043451 /nfs/dbraw/zinc/04/34/51/383043451.db2.gz KUPGEIJYBZNBGD-BFHYXJOUSA-N 1 0 292.427 2.686 50 0 CFAARO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000246015323 383058839 /nfs/dbraw/zinc/05/88/39/383058839.db2.gz UHTOFRUNYUKFAK-GDLCADMTSA-N 1 0 265.328 2.806 50 0 CFAARO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000246018539 383058874 /nfs/dbraw/zinc/05/88/74/383058874.db2.gz KLUDHUUYDSZNDM-YDHLFZDLSA-N 1 0 260.381 2.816 50 0 CFAARO c1cnn(C[C@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000247068089 383139131 /nfs/dbraw/zinc/13/91/31/383139131.db2.gz GIAPJSAHAOPKTH-AEFFLSMTSA-N 1 0 297.402 2.662 50 0 CFAARO Cc1cccc(C)c1NC(=O)NCC1([NH+](C)C)CC1 ZINC000583650785 383091925 /nfs/dbraw/zinc/09/19/25/383091925.db2.gz BCVOJJVMEQLOAQ-UHFFFAOYSA-N 1 0 261.369 2.519 50 0 CFAARO C[C@@H]([NH2+]Cc1ccns1)[C@H](c1ccccc1)N(C)C ZINC000585117775 383115204 /nfs/dbraw/zinc/11/52/04/383115204.db2.gz WJNMCDGBJXWADE-IUODEOHRSA-N 1 0 275.421 2.924 50 0 CFAARO C[C@H](C(=O)N[C@@H](C)c1ccc(Br)cc1)[NH+](C)C ZINC000585132098 383116715 /nfs/dbraw/zinc/11/67/15/383116715.db2.gz OGGULJMAOCFYFK-VHSXEESVSA-N 1 0 299.212 2.576 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000248127627 383212232 /nfs/dbraw/zinc/21/22/32/383212232.db2.gz MHFLVTBMBZGDNI-DLBZAZTESA-N 1 0 290.451 2.898 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC1CCCC1 ZINC000248133742 383213191 /nfs/dbraw/zinc/21/31/91/383213191.db2.gz NXHJCRHOEQIQJR-HUUCEWRRSA-N 1 0 264.413 2.652 50 0 CFAARO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000247257754 383157484 /nfs/dbraw/zinc/15/74/84/383157484.db2.gz YXDYIKCNSOZOSZ-KBXCAEBGSA-N 1 0 285.387 2.989 50 0 CFAARO O=C1C[C@@H]([NH2+]C2CCSCC2)CN1C1CCCCCC1 ZINC000012718819 296343271 /nfs/dbraw/zinc/34/32/71/296343271.db2.gz BIGAREULNQLOOZ-CQSZACIVSA-N 1 0 296.480 2.795 50 0 CFAARO Cc1cccc2[nH]c(CN(C)C[C@H](C)[NH+]3CCCC3)nc21 ZINC000252502233 383415313 /nfs/dbraw/zinc/41/53/13/383415313.db2.gz UNXQWQAKHQFWJX-AWEZNQCLSA-N 1 0 286.423 2.787 50 0 CFAARO CC(C)C/C=C(\CN1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000426618082 383407431 /nfs/dbraw/zinc/40/74/31/383407431.db2.gz GGHDJXMHOBQRCS-GONKEYIRSA-N 1 0 288.435 2.776 50 0 CFAARO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(F)c(Cl)c1)C2 ZINC000426661271 383408847 /nfs/dbraw/zinc/40/88/47/383408847.db2.gz OBNHXYYQPVNWRZ-YABSGUDNSA-N 1 0 268.763 2.648 50 0 CFAARO COc1cc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nc(N)n1 ZINC000426715901 383410358 /nfs/dbraw/zinc/41/03/58/383410358.db2.gz LHRFEDACWGCBSE-GFCCVEGCSA-N 1 0 298.390 2.722 50 0 CFAARO CCC1=NO[C@@H](C[N@H+](C)Cc2ccccc2-n2cccn2)C1 ZINC000252481674 383411304 /nfs/dbraw/zinc/41/13/04/383411304.db2.gz CQFIKXHXZKDGDL-MRXNPFEDSA-N 1 0 298.390 2.859 50 0 CFAARO CC(C)SCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000252482813 383411759 /nfs/dbraw/zinc/41/17/59/383411759.db2.gz DOIHISAWMGYONV-UHFFFAOYSA-N 1 0 281.469 2.816 50 0 CFAARO CC[C@@H]1C[N@H+](CCSC(C)(C)C)C[C@]2(CCOC2)O1 ZINC000252489600 383412973 /nfs/dbraw/zinc/41/29/73/383412973.db2.gz JUQMONLPBJRHHO-HIFRSBDPSA-N 1 0 287.469 2.788 50 0 CFAARO CC(C)c1nsc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250477574 383376102 /nfs/dbraw/zinc/37/61/02/383376102.db2.gz ZNHSISAHWMEXAN-MNOVXSKESA-N 1 0 266.414 2.700 50 0 CFAARO COC(=O)/C(C)=C\C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000252675627 383427352 /nfs/dbraw/zinc/42/73/52/383427352.db2.gz UODPEXMWVDODGJ-WQTVUKCASA-N 1 0 259.349 2.725 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2c(Cl)cccc2Cl)C1 ZINC000255032329 383474260 /nfs/dbraw/zinc/47/42/60/383474260.db2.gz YXBRNDKIYNEZFA-LWTINBJPSA-N 1 0 299.201 2.814 50 0 CFAARO C/C(=C/C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000255154058 383477070 /nfs/dbraw/zinc/47/70/70/383477070.db2.gz JSPUJQPVLILTPM-KGTBHZDVSA-N 1 0 278.783 2.551 50 0 CFAARO COC(=O)[C@H]1CC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000252537378 383418099 /nfs/dbraw/zinc/41/80/99/383418099.db2.gz KZZJTMLMGYGYIT-HOTGVXAUSA-N 1 0 275.392 2.921 50 0 CFAARO CSC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1 ZINC000252584376 383419400 /nfs/dbraw/zinc/41/94/00/383419400.db2.gz AAZMJNHTSXNLAW-SOUVJXGZSA-N 1 0 265.422 2.984 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2C)CC[N@H+](C)[C@H]1C ZINC000255963356 383488181 /nfs/dbraw/zinc/48/81/81/383488181.db2.gz AVJHHMSHPYWQSR-XJKSGUPXSA-N 1 0 261.365 2.868 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000257177248 383489964 /nfs/dbraw/zinc/48/99/64/383489964.db2.gz DODRACHJFZLDKL-CQSZACIVSA-N 1 0 273.380 2.642 50 0 CFAARO Cc1nc(C)c(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])s1 ZINC000262942770 383645809 /nfs/dbraw/zinc/64/58/09/383645809.db2.gz IXPQDGYQYBTWBA-MFKMUULPSA-N 1 0 267.398 2.606 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cn1 ZINC000636440574 383817894 /nfs/dbraw/zinc/81/78/94/383817894.db2.gz QTDLVSDKKXDXHK-IAGOWNOFSA-N 1 0 298.386 2.788 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc3sccc3c2)C1 ZINC000269188387 384734013 /nfs/dbraw/zinc/73/40/13/384734013.db2.gz VGFQYLCAJILBIQ-NSHDSACASA-N 1 0 274.389 2.583 50 0 CFAARO COCC1(C[NH2+]Cc2ccc(OC)c(F)c2)CCC1 ZINC000282091931 385209921 /nfs/dbraw/zinc/20/99/21/385209921.db2.gz RWNKEVZPRGGOBV-UHFFFAOYSA-N 1 0 267.344 2.741 50 0 CFAARO O=[N+]1C(c2cccs2)=CN(O)[C@H]2CCCC[C@@H]21 ZINC000334157195 285191026 /nfs/dbraw/zinc/19/10/26/285191026.db2.gz ACNYLHNFRVIKIT-UWVGGRQHSA-N 1 0 251.331 2.841 50 0 CFAARO OC1(C(F)(F)F)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000097162269 285231846 /nfs/dbraw/zinc/23/18/46/285231846.db2.gz VWNRKAMXDKVIEA-LLVKDONJSA-N 1 0 263.303 2.732 50 0 CFAARO OCC[NH2+][C@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000089827861 285261564 /nfs/dbraw/zinc/26/15/64/285261564.db2.gz GTHKWVVCHKRPAG-RDJZCZTQSA-N 1 0 269.344 2.833 50 0 CFAARO O[C@@H](C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000008132648 285302280 /nfs/dbraw/zinc/30/22/80/285302280.db2.gz HMDFHKCUQNUSEN-STQMWFEESA-N 1 0 273.298 2.994 50 0 CFAARO O[C@@H](C[NH2+][C@H]1CCCSC1)c1ccccc1Cl ZINC000097370849 285306712 /nfs/dbraw/zinc/30/67/12/285306712.db2.gz IVMDEAUYYOOGIA-GWCFXTLKSA-N 1 0 271.813 2.859 50 0 CFAARO CCCc1nnc(NC[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC000095381873 184959771 /nfs/dbraw/zinc/95/97/71/184959771.db2.gz QJULXAPQCRYJIZ-GFCCVEGCSA-N 1 0 266.389 2.554 50 0 CFAARO CCC[C@H]1CN(c2nccc3ccccc32)C[C@@H]1[NH3+] ZINC000095387888 184962850 /nfs/dbraw/zinc/96/28/50/184962850.db2.gz KMSVZOSDWPBLDG-ZFWWWQNUSA-N 1 0 255.365 2.798 50 0 CFAARO OC[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000095410523 184970617 /nfs/dbraw/zinc/97/06/17/184970617.db2.gz MACTVPTUGKRJCI-WMZOPIPTSA-N 1 0 299.418 2.903 50 0 CFAARO O[C@]1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCSC1 ZINC000252549251 285377751 /nfs/dbraw/zinc/37/77/51/285377751.db2.gz QYZZUDIEASFEAN-VWYCJHECSA-N 1 0 283.359 2.565 50 0 CFAARO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)o1)C1CCOCC1 ZINC000096492033 533471355 /nfs/dbraw/zinc/47/13/55/533471355.db2.gz IXZFUPICUKSXDM-LLVKDONJSA-N 1 0 266.385 2.877 50 0 CFAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1C ZINC000020560853 542642847 /nfs/dbraw/zinc/64/28/47/542642847.db2.gz XYJWJMNIRLYLTQ-AWEZNQCLSA-N 1 0 287.411 2.623 50 0 CFAARO CC(C)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000000317626 393450274 /nfs/dbraw/zinc/45/02/74/393450274.db2.gz SAZBROHXAAGVFN-CQSZACIVSA-N 1 0 266.429 2.613 50 0 CFAARO CCOC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000000236814 393450312 /nfs/dbraw/zinc/45/03/12/393450312.db2.gz YRHOLOANCOIQFP-AWEZNQCLSA-N 1 0 265.328 2.743 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NC1CCCCC1 ZINC000006007646 393462440 /nfs/dbraw/zinc/46/24/40/393462440.db2.gz INQCLXMFWNEMJW-BETUJISGSA-N 1 0 252.402 2.698 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000067374452 393633075 /nfs/dbraw/zinc/63/30/75/393633075.db2.gz ONGXOBZIZNHELO-ZDUSSCGKSA-N 1 0 268.401 2.729 50 0 CFAARO Fc1ccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193997155 393670543 /nfs/dbraw/zinc/67/05/43/393670543.db2.gz ZDCLKVAMYGYFAS-ZDUSSCGKSA-N 1 0 289.354 2.807 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])sc1C ZINC000087568435 393759504 /nfs/dbraw/zinc/75/95/04/393759504.db2.gz UHVFFWLXAIEMJF-CABZTGNLSA-N 1 0 266.410 2.564 50 0 CFAARO Cc1ccc2cccc(C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])c2n1 ZINC000237637841 393794168 /nfs/dbraw/zinc/79/41/68/393794168.db2.gz OTSRTFFSCZDPQB-LRDDRELGSA-N 1 0 297.402 2.743 50 0 CFAARO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CC2([NH3+])CCC2)C1 ZINC000237574505 393794228 /nfs/dbraw/zinc/79/42/28/393794228.db2.gz NPNSGIRSSHBXDU-GJZGRUSLSA-N 1 0 286.419 2.971 50 0 CFAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C\c1nccs1 ZINC000096257377 393818314 /nfs/dbraw/zinc/81/83/14/393818314.db2.gz COKMXPIQPBTEPB-LJTDUEICSA-N 1 0 295.452 2.783 50 0 CFAARO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000096404195 393821843 /nfs/dbraw/zinc/82/18/43/393821843.db2.gz ZXEOXGDTQPGSPR-CHWSQXEVSA-N 1 0 295.452 2.711 50 0 CFAARO NC(=O)CC[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000096410324 393823853 /nfs/dbraw/zinc/82/38/53/393823853.db2.gz LEOBCSSXBSUDQX-AWEZNQCLSA-N 1 0 292.448 2.756 50 0 CFAARO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000096419232 393826873 /nfs/dbraw/zinc/82/68/73/393826873.db2.gz GGVCKTYLHILYTR-MSOLQXFVSA-N 1 0 298.430 2.842 50 0 CFAARO Cc1ccc2ncccc2c1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000097334262 393841025 /nfs/dbraw/zinc/84/10/25/393841025.db2.gz ZIMNBVNASPGQEL-AWEZNQCLSA-N 1 0 297.402 2.773 50 0 CFAARO Cc1cccc(N2CC[NH+](CC[C@H]3CCOC3)CC2)c1 ZINC000437580752 394060748 /nfs/dbraw/zinc/06/07/48/394060748.db2.gz NXIUFMUDSBAZLQ-INIZCTEOSA-N 1 0 274.408 2.544 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)s2)C1 ZINC000493116826 394152813 /nfs/dbraw/zinc/15/28/13/394152813.db2.gz JSOUXMZJVOEGJR-XOIDGJRKSA-N 1 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/nfs/dbraw/zinc/37/13/18/394371318.db2.gz IMYYSPWFYCDOOR-IAQYHMDHSA-N 1 0 251.345 2.811 50 0 CFAARO CN(C[C@H]1CCC[N@@H+]1C)c1nccc2ccccc21 ZINC000528037653 394441423 /nfs/dbraw/zinc/44/14/23/394441423.db2.gz KLFQGCJMIRNQMQ-CQSZACIVSA-N 1 0 255.365 2.765 50 0 CFAARO O=c1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nc2ccccn12 ZINC000026880242 542988780 /nfs/dbraw/zinc/98/87/80/542988780.db2.gz OZEMTDMKEMZKEZ-HUUCEWRRSA-N 1 0 297.402 2.707 50 0 CFAARO Cc1ccccc1CC(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916039 543032283 /nfs/dbraw/zinc/03/22/83/543032283.db2.gz OGKOLBXNCUELGO-KRWDZBQOSA-N 1 0 286.419 2.528 50 0 CFAARO O=[N+]1C(c2cccs2)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000334157197 296522096 /nfs/dbraw/zinc/52/20/96/296522096.db2.gz ACNYLHNFRVIKIT-ZJUUUORDSA-N 1 0 251.331 2.841 50 0 CFAARO Cc1c(C[NH2+]Cc2cnc(-c3ccco3)s2)cnn1C ZINC000193186291 543087743 /nfs/dbraw/zinc/08/77/43/543087743.db2.gz VTBRJJKMPFSIRS-UHFFFAOYSA-N 1 0 288.376 2.735 50 0 CFAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000044977889 397571038 /nfs/dbraw/zinc/57/10/38/397571038.db2.gz WRMMAWBAGZHMEH-CQSZACIVSA-N 1 0 297.358 2.760 50 0 CFAARO Cc1cc(N2CCC(OCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000045725080 397577073 /nfs/dbraw/zinc/57/70/73/397577073.db2.gz CFEUFEHWAXHGFW-UHFFFAOYSA-N 1 0 298.390 2.553 50 0 CFAARO COc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007811619 397537088 /nfs/dbraw/zinc/53/70/88/397537088.db2.gz ZGDBLSGTBLBMDU-BETUJISGSA-N 1 0 276.380 2.612 50 0 CFAARO CC(C)C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012058377 397538405 /nfs/dbraw/zinc/53/84/05/397538405.db2.gz QABVNSSMKYPCMR-AWEZNQCLSA-N 1 0 266.429 2.946 50 0 CFAARO COc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2cccnc2)cc1 ZINC000108489359 397598283 /nfs/dbraw/zinc/59/82/83/397598283.db2.gz VKSOMXKVWZBIDT-PBFPGSCMSA-N 1 0 286.375 2.863 50 0 CFAARO CCO[C@H]1CCC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000108480412 397598525 /nfs/dbraw/zinc/59/85/25/397598525.db2.gz MCKRJUYAQPOCRF-OCCSQVGLSA-N 1 0 263.385 2.655 50 0 CFAARO Fc1cccc(-c2ccnc(C3CC[NH2+]CC3)n2)c1 ZINC000205911003 397616672 /nfs/dbraw/zinc/61/66/72/397616672.db2.gz GAJBERMXUWIGLJ-UHFFFAOYSA-N 1 0 257.312 2.750 50 0 CFAARO Cc1ncsc1C[NH+]1CCC(Cn2ccnc2)CC1 ZINC000825284812 782007649 /nfs/dbraw/zinc/00/76/49/782007649.db2.gz SKDGOOPUEOQVMH-UHFFFAOYSA-N 1 0 276.409 2.560 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CCC1 ZINC000004597870 292369584 /nfs/dbraw/zinc/36/95/84/292369584.db2.gz AMXKHKZYEPHIKK-WBVHZDCISA-N 1 0 284.403 2.929 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@H](O)Cc1ccccc1 ZINC000090655919 287052173 /nfs/dbraw/zinc/05/21/73/287052173.db2.gz UGZQGNATNXPSAO-VNHYZAJKSA-N 1 0 259.349 2.922 50 0 CFAARO CCCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000002479022 169794433 /nfs/dbraw/zinc/79/44/33/169794433.db2.gz FFULVJAIHOSFLK-GFCCVEGCSA-N 1 0 271.788 2.778 50 0 CFAARO [NH3+]CCNc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000002538382 169805914 /nfs/dbraw/zinc/80/59/14/169805914.db2.gz WBCZOUBRSFPZTN-UHFFFAOYSA-N 1 0 282.269 2.533 50 0 CFAARO C[C@H](NC(=S)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000002872569 169839556 /nfs/dbraw/zinc/83/95/56/169839556.db2.gz GENACJVSBSVXJY-AWEZNQCLSA-N 1 0 291.464 2.698 50 0 CFAARO O=C(Nc1cccc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000004714016 170004132 /nfs/dbraw/zinc/00/41/32/170004132.db2.gz ZQCHGLIQYCHSGJ-OAHLLOKOSA-N 1 0 254.333 2.920 50 0 CFAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1cccc(F)c1 ZINC000004804206 170019648 /nfs/dbraw/zinc/01/96/48/170019648.db2.gz HFPPAMJHFMDHBC-LBPRGKRZSA-N 1 0 265.328 2.857 50 0 CFAARO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2OC)cc1OC ZINC000004838072 170027045 /nfs/dbraw/zinc/02/70/45/170027045.db2.gz AGSMUKLNMPEAMR-CABCVRRESA-N 1 0 293.407 2.794 50 0 CFAARO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2OC)cc1OC ZINC000004838075 170027060 /nfs/dbraw/zinc/02/70/60/170027060.db2.gz AGSMUKLNMPEAMR-LSDHHAIUSA-N 1 0 293.407 2.794 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004842741 170028950 /nfs/dbraw/zinc/02/89/50/170028950.db2.gz HLZQHFHPRJZMDW-NSHDSACASA-N 1 0 263.312 2.946 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000004867882 170033486 /nfs/dbraw/zinc/03/34/86/170033486.db2.gz DTYLIISEVDGUQM-INIZCTEOSA-N 1 0 277.408 2.999 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004942861 170043295 /nfs/dbraw/zinc/04/32/95/170043295.db2.gz LQZOFNYZWZTGCB-ZDUSSCGKSA-N 1 0 263.312 2.946 50 0 CFAARO Cc1ccc(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004985934 170049257 /nfs/dbraw/zinc/04/92/57/170049257.db2.gz QIIBGZCQFQBXKP-UHFFFAOYSA-N 1 0 288.435 2.963 50 0 CFAARO OC[C@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000004986329 170049692 /nfs/dbraw/zinc/04/96/92/170049692.db2.gz BWRHLVGKMYKFLO-LLVKDONJSA-N 1 0 259.271 2.662 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OCC ZINC000005019244 170056641 /nfs/dbraw/zinc/05/66/41/170056641.db2.gz FDKYOYPHYGFWCC-AWEZNQCLSA-N 1 0 279.380 2.753 50 0 CFAARO CCC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CCCC2)cc1 ZINC000005050878 170061449 /nfs/dbraw/zinc/06/14/49/170061449.db2.gz QTLALZRQGOWUFL-OAHLLOKOSA-N 1 0 291.391 2.551 50 0 CFAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000005093544 170065870 /nfs/dbraw/zinc/06/58/70/170065870.db2.gz SYMRXAKJCMBHJY-MCIONIFRSA-N 1 0 271.445 2.967 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000005171588 170073249 /nfs/dbraw/zinc/07/32/49/170073249.db2.gz RXEDPFOIQRFAIZ-GDBMZVCRSA-N 1 0 271.360 2.777 50 0 CFAARO COc1ccc(C[C@@H]([NH3+])Cc2ccccc2)cc1OC ZINC000005558908 170113093 /nfs/dbraw/zinc/11/30/93/170113093.db2.gz SWZAGONAANKISE-HNNXBMFYSA-N 1 0 271.360 2.816 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)cc1OC ZINC000005729821 170134281 /nfs/dbraw/zinc/13/42/81/170134281.db2.gz IWVGVUFXHMKTRI-XOKHGSTOSA-N 1 0 291.391 2.660 50 0 CFAARO CC(C)[N@H+](CC(N)=O)Cc1cccc2ccccc21 ZINC000006647988 170222042 /nfs/dbraw/zinc/22/20/42/170222042.db2.gz DLZOMJMGXHMGMR-UHFFFAOYSA-N 1 0 256.349 2.536 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccc(C)cc2C)CC1 ZINC000006726239 170233257 /nfs/dbraw/zinc/23/32/57/170233257.db2.gz XECZKCGNTAHYPU-UHFFFAOYSA-N 1 0 275.396 2.863 50 0 CFAARO O=C(C[NH+]1CCCCCC1)NCCc1c[nH]c2ccccc12 ZINC000007339711 170277907 /nfs/dbraw/zinc/27/79/07/170277907.db2.gz BAKHOOQIPSBINR-UHFFFAOYSA-N 1 0 299.418 2.703 50 0 CFAARO C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000007340218 170277931 /nfs/dbraw/zinc/27/79/31/170277931.db2.gz XXLVFMRQKYFOPJ-AWEZNQCLSA-N 1 0 286.419 2.838 50 0 CFAARO C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000007377694 170280784 /nfs/dbraw/zinc/28/07/84/170280784.db2.gz FEFVNPBJBNLTLA-NSHDSACASA-N 1 0 250.317 2.639 50 0 CFAARO CCOCCC[NH2+]Cc1cc(Cl)ccc1OC ZINC000007524096 170288902 /nfs/dbraw/zinc/28/89/02/170288902.db2.gz LATPIXDRZSERTO-UHFFFAOYSA-N 1 0 257.761 2.865 50 0 CFAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]C(C)(C)CO)o2)cc1 ZINC000007540824 170290263 /nfs/dbraw/zinc/29/02/63/170290263.db2.gz UVYYBINTHMTNJX-LBPRGKRZSA-N 1 0 289.375 2.860 50 0 CFAARO C[NH+](C)[C@@H](CNc1cncc(Cl)n1)Cc1ccccc1 ZINC000008728173 170350306 /nfs/dbraw/zinc/35/03/06/170350306.db2.gz IGWSAEJOJINDPB-CYBMUJFWSA-N 1 0 290.798 2.715 50 0 CFAARO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000008745230 170353809 /nfs/dbraw/zinc/35/38/09/170353809.db2.gz VUFDWMHLJOXADP-GDBMZVCRSA-N 1 0 272.392 2.798 50 0 CFAARO COc1ccc2cc(C(=O)NCC[NH+]3CCCC3)ccc2c1 ZINC000008945897 170359468 /nfs/dbraw/zinc/35/94/68/170359468.db2.gz WITUNCKZACPNDF-UHFFFAOYSA-N 1 0 298.386 2.674 50 0 CFAARO CC(C)(C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000009114594 170363924 /nfs/dbraw/zinc/36/39/24/170363924.db2.gz WOTMHGMYPFEVCR-UHFFFAOYSA-N 1 0 285.185 2.776 50 0 CFAARO CCOc1cc(C=O)ccc1OCC[NH+](CC)CC ZINC000009237710 170367908 /nfs/dbraw/zinc/36/79/08/170367908.db2.gz JWELPZRSELLLCI-UHFFFAOYSA-N 1 0 265.353 2.618 50 0 CFAARO O=C(NCCC[NH+]1CCCCCC1)c1cccs1 ZINC000010111112 170397848 /nfs/dbraw/zinc/39/78/48/170397848.db2.gz SZBPNYXPUKQJHU-UHFFFAOYSA-N 1 0 266.410 2.744 50 0 CFAARO Cc1ccc(CCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000010450169 170407108 /nfs/dbraw/zinc/40/71/08/170407108.db2.gz BJXQMPADROZVDC-UHFFFAOYSA-N 1 0 274.408 2.530 50 0 CFAARO O=C(C1=CCCC1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012597310 170499744 /nfs/dbraw/zinc/49/97/44/170499744.db2.gz UMJISUVBADSPCL-SFHVURJKSA-N 1 0 288.435 2.821 50 0 CFAARO Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(C)cc1 ZINC000013131476 170534855 /nfs/dbraw/zinc/53/48/55/170534855.db2.gz NFBKVUULHDCDPI-UHFFFAOYSA-N 1 0 279.363 2.966 50 0 CFAARO CC[NH+](CC)CCOc1ccc(Br)cc1N ZINC000014630909 170640304 /nfs/dbraw/zinc/64/03/04/170640304.db2.gz TUGAAQZVRIFANA-UHFFFAOYSA-N 1 0 287.201 2.752 50 0 CFAARO Brc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000014631672 170640523 /nfs/dbraw/zinc/64/05/23/170640523.db2.gz CLKKEMYCKKEASI-LLVKDONJSA-N 1 0 256.143 2.580 50 0 CFAARO CCOc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016604350 170704221 /nfs/dbraw/zinc/70/42/21/170704221.db2.gz ZJGBUGOTJHZXPO-UHFFFAOYSA-N 1 0 290.407 2.688 50 0 CFAARO c1ccc(CN2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000019401814 170785033 /nfs/dbraw/zinc/78/50/33/170785033.db2.gz QYDYKUBXZCNSKM-UHFFFAOYSA-N 1 0 259.397 2.532 50 0 CFAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccncc1 ZINC000020124382 171006748 /nfs/dbraw/zinc/00/67/48/171006748.db2.gz LJBIYGQUZRGZLY-NSHDSACASA-N 1 0 256.305 2.661 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccncc1 ZINC000020137854 171025091 /nfs/dbraw/zinc/02/50/91/171025091.db2.gz OVHIQOWXRQVDNB-TZMCWYRMSA-N 1 0 270.332 2.572 50 0 CFAARO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cccnc1 ZINC000020137872 171025155 /nfs/dbraw/zinc/02/51/55/171025155.db2.gz AKOJXKXDJZTPTK-JSGCOSHPSA-N 1 0 270.332 2.572 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccncc1 ZINC000020137856 171025496 /nfs/dbraw/zinc/02/54/96/171025496.db2.gz OVHIQOWXRQVDNB-GXTWGEPZSA-N 1 0 270.332 2.572 50 0 CFAARO COc1cc(C)ccc1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167738 171040540 /nfs/dbraw/zinc/04/05/40/171040540.db2.gz NIVHJNMGHVCROT-GJZGRUSLSA-N 1 0 293.407 2.882 50 0 CFAARO c1ccc2c(c1)C[C@H]([NH2+]Cc1ccc3c(c1)OCCO3)CO2 ZINC000020166101 171040732 /nfs/dbraw/zinc/04/07/32/171040732.db2.gz ZNFMWPAATKRBGL-HNNXBMFYSA-N 1 0 297.354 2.551 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+]Cc1ccco1 ZINC000020186635 171050584 /nfs/dbraw/zinc/05/05/84/171050584.db2.gz STELVBRWIIDUSB-UHFFFAOYSA-N 1 0 255.321 2.728 50 0 CFAARO OC1CC[NH+](Cc2csc3c2CCCC3)CC1 ZINC000020211577 171074931 /nfs/dbraw/zinc/07/49/31/171074931.db2.gz VNDPUHDVANVPOW-UHFFFAOYSA-N 1 0 251.395 2.584 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000020549657 171246383 /nfs/dbraw/zinc/24/63/83/171246383.db2.gz XIYBADOARKOOTG-UHFFFAOYSA-N 1 0 280.799 2.943 50 0 CFAARO CC[C@@H](C)Oc1cccc(OCCCN2CCOCC2)c1 ZINC000020652659 171268703 /nfs/dbraw/zinc/26/87/03/171268703.db2.gz JROVYETUTVLBOS-OAHLLOKOSA-N 1 0 293.407 2.965 50 0 CFAARO CC(C)Oc1cccc(OCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020652973 171268843 /nfs/dbraw/zinc/26/88/43/171268843.db2.gz VITBNTOTHBSZCC-GJZGRUSLSA-N 1 0 293.407 2.962 50 0 CFAARO CC(=O)c1cccc(OCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020639225 171269156 /nfs/dbraw/zinc/26/91/56/171269156.db2.gz BOTQWJXDDAYMGN-ZIAGYGMSSA-N 1 0 291.391 2.767 50 0 CFAARO CO[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000020867931 171276665 /nfs/dbraw/zinc/27/66/65/171276665.db2.gz DFNLEDKRPDALNQ-AWEZNQCLSA-N 1 0 269.772 2.830 50 0 CFAARO c1cc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)n[nH]1 ZINC000020911886 171279332 /nfs/dbraw/zinc/27/93/32/171279332.db2.gz KWRMFERPKASORF-MRXNPFEDSA-N 1 0 270.380 2.792 50 0 CFAARO CCCOc1ccccc1C[NH2+]CCCN1CCCC1=O ZINC000020924690 171280033 /nfs/dbraw/zinc/28/00/33/171280033.db2.gz ZNJSCRXFTALRPN-UHFFFAOYSA-N 1 0 290.407 2.578 50 0 CFAARO CCCOc1ccc(C[NH2+][C@@H](CC)CO)cc1Cl ZINC000020925471 171280366 /nfs/dbraw/zinc/28/03/66/171280366.db2.gz GCRVOHKWFGZXCE-LBPRGKRZSA-N 1 0 271.788 2.989 50 0 CFAARO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)C1CCOCC1 ZINC000020999095 171284188 /nfs/dbraw/zinc/28/41/88/171284188.db2.gz ASJUVXRLRBZZPC-UHFFFAOYSA-N 1 0 262.328 2.918 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1OC ZINC000022936408 171404716 /nfs/dbraw/zinc/40/47/16/171404716.db2.gz YMAOBAZBJHENAS-HNNXBMFYSA-N 1 0 292.423 2.668 50 0 CFAARO O[C@H](C[NH2+]C1CCCCCC1)COc1ccc(F)cc1 ZINC000032127718 171713828 /nfs/dbraw/zinc/71/38/28/171713828.db2.gz SJBMUEWDZXVXHH-OAHLLOKOSA-N 1 0 281.371 2.878 50 0 CFAARO Cc1ccccc1COc1ccccc1C[NH2+]CCO ZINC000033440395 171800216 /nfs/dbraw/zinc/80/02/16/171800216.db2.gz YRZJCZXJXJAZHW-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+]Cc2ccsc2)cc1 ZINC000035287283 172105113 /nfs/dbraw/zinc/10/51/13/172105113.db2.gz OZJQLDIDPKHAME-UHFFFAOYSA-N 1 0 260.362 2.785 50 0 CFAARO C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(Cl)c1 ZINC000035652278 172329047 /nfs/dbraw/zinc/32/90/47/172329047.db2.gz KWRWKRLMMKKUJQ-SNVBAGLBSA-N 1 0 287.812 2.568 50 0 CFAARO C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1cn[nH]c1 ZINC000652317263 413885562 /nfs/dbraw/zinc/88/55/62/413885562.db2.gz LLTSSNYGMVQTEP-VIFPVBQESA-N 1 0 295.289 2.625 50 0 CFAARO O[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037490171 173231453 /nfs/dbraw/zinc/23/14/53/173231453.db2.gz NGDVPKNJPMVSHP-VXGBXAGGSA-N 1 0 259.271 2.708 50 0 CFAARO c1ccc(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)cc1 ZINC000039565649 174170173 /nfs/dbraw/zinc/17/01/73/174170173.db2.gz KMOQMXILLUBOJL-QGZVFWFLSA-N 1 0 252.361 2.833 50 0 CFAARO CC(C)CCNC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000040049896 174184937 /nfs/dbraw/zinc/18/49/37/174184937.db2.gz YTHKHUJLAHMHPE-INIZCTEOSA-N 1 0 274.408 2.768 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc(F)cc1 ZINC000040107544 174192084 /nfs/dbraw/zinc/19/20/84/174192084.db2.gz LYJJHBBDTQTUJO-DNGMOHDESA-N 1 0 290.382 2.830 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1cccc(F)c1 ZINC000040266215 174217915 /nfs/dbraw/zinc/21/79/15/174217915.db2.gz NBKCFZMTICAELA-RDJZCZTQSA-N 1 0 282.318 2.750 50 0 CFAARO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040433903 174261023 /nfs/dbraw/zinc/26/10/23/174261023.db2.gz JYKKEFNKRYSTNF-CQSZACIVSA-N 1 0 261.365 2.850 50 0 CFAARO CC[C@H](C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040498963 174296008 /nfs/dbraw/zinc/29/60/08/174296008.db2.gz RMOGPGTUBUZGIC-JQWIXIFHSA-N 1 0 254.399 2.513 50 0 CFAARO CCN1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000040502915 174299332 /nfs/dbraw/zinc/29/93/32/174299332.db2.gz IRKXPDFASGFWOU-AWEZNQCLSA-N 1 0 288.395 2.552 50 0 CFAARO CC/C=C(/C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040521144 174310088 /nfs/dbraw/zinc/31/00/88/174310088.db2.gz JASAKMKSXQVAGU-TUOYRWMMSA-N 1 0 266.410 2.823 50 0 CFAARO CCC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000040615188 174354121 /nfs/dbraw/zinc/35/41/21/174354121.db2.gz PPHDSVDSMXYXSI-OAHLLOKOSA-N 1 0 290.407 2.748 50 0 CFAARO CC(C)Oc1cccc(C[NH2+]CCCn2ccnc2)c1 ZINC000040640202 174363538 /nfs/dbraw/zinc/36/35/38/174363538.db2.gz HHQIZNNUPBODAW-UHFFFAOYSA-N 1 0 273.380 2.850 50 0 CFAARO C[NH2+]CCCNCc1ccc(OC(C)C)c(Cl)c1 ZINC000040719697 174385147 /nfs/dbraw/zinc/38/51/47/174385147.db2.gz MQZDIVNBEIJMFU-UHFFFAOYSA-N 1 0 270.804 2.826 50 0 CFAARO C[C@@H]([NH2+]CCn1cccn1)c1cc(F)ccc1F ZINC000042538939 174784672 /nfs/dbraw/zinc/78/46/72/174784672.db2.gz DVBMWWDJWBQFTF-SNVBAGLBSA-N 1 0 251.280 2.512 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000045837674 175384352 /nfs/dbraw/zinc/38/43/52/175384352.db2.gz WUEUBUHOZNFSJQ-UHFFFAOYSA-N 1 0 278.371 2.676 50 0 CFAARO c1ccc(-n2nnnc2C2([NH+]3CCCC3)CCCC2)cc1 ZINC000046078115 175391903 /nfs/dbraw/zinc/39/19/03/175391903.db2.gz HXQHOXOJUZMNCJ-UHFFFAOYSA-N 1 0 283.379 2.527 50 0 CFAARO CCCc1cn(C2CC[NH+](C[C@H](C)CC)CC2)nn1 ZINC000055270717 175574646 /nfs/dbraw/zinc/57/46/46/175574646.db2.gz BJVZLKSONDJUSP-CYBMUJFWSA-N 1 0 264.417 2.914 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccccc1 ZINC000062001326 175660327 /nfs/dbraw/zinc/66/03/27/175660327.db2.gz GSGZVMALTPALHZ-RDJZCZTQSA-N 1 0 264.328 2.611 50 0 CFAARO C[C@@H]1CCCC[C@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000097108475 287306583 /nfs/dbraw/zinc/30/65/83/287306583.db2.gz ZFILPGGGRGTZSI-YFTKNLTDSA-N 1 0 257.443 2.656 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CC2(N(C)C)CCCCC2)n1 ZINC000067935424 175803228 /nfs/dbraw/zinc/80/32/28/175803228.db2.gz JZRTXINZMQIXOW-HNNXBMFYSA-N 1 0 292.471 2.743 50 0 CFAARO CCn1nc(C)c(C[NH2+]CCc2ccccc2)c1C ZINC000069658323 175845654 /nfs/dbraw/zinc/84/56/54/175845654.db2.gz SWZCNNYZAYHEJH-UHFFFAOYSA-N 1 0 257.381 2.852 50 0 CFAARO O=C1OCCN1CCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000069871850 175858959 /nfs/dbraw/zinc/85/89/59/175858959.db2.gz MVQBHRCSLBJBGV-UHFFFAOYSA-N 1 0 292.354 2.637 50 0 CFAARO Clc1ccc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)cc1 ZINC000070459994 175942049 /nfs/dbraw/zinc/94/20/49/175942049.db2.gz WFIZSEPWEVKPBV-UHFFFAOYSA-N 1 0 276.771 2.530 50 0 CFAARO Cc1nccc(-c2ccccc2)c1C(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000071315523 176121506 /nfs/dbraw/zinc/12/15/06/176121506.db2.gz KIVBQLRJPIRNLB-HUUCEWRRSA-N 1 0 295.386 2.667 50 0 CFAARO CCCc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)o1 ZINC000071405690 176155895 /nfs/dbraw/zinc/15/58/95/176155895.db2.gz FZBIASURENMCEO-UHFFFAOYSA-N 1 0 290.407 2.819 50 0 CFAARO CC(C)[C@H]1C[N@H+](C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071730392 176255968 /nfs/dbraw/zinc/25/59/68/176255968.db2.gz WCFZYNMLTVHPMB-OAHLLOKOSA-N 1 0 278.371 2.514 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000071794393 176263980 /nfs/dbraw/zinc/26/39/80/176263980.db2.gz YCOCANXZXCSKCJ-CYBMUJFWSA-N 1 0 276.405 2.979 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000071803380 176266458 /nfs/dbraw/zinc/26/64/58/176266458.db2.gz HEOCCPHQDDBLDE-UHFFFAOYSA-N 1 0 286.379 2.774 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000071831339 176272769 /nfs/dbraw/zinc/27/27/69/176272769.db2.gz SGCPTWGOSXAQFO-GFCCVEGCSA-N 1 0 298.390 2.696 50 0 CFAARO O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000071834720 176273478 /nfs/dbraw/zinc/27/34/78/176273478.db2.gz IAAUYIHTWYUVRY-HNNXBMFYSA-N 1 0 297.402 2.868 50 0 CFAARO COc1cc(C[NH2+]Cc2c(C)n[nH]c2C)ccc1C ZINC000071837012 176274304 /nfs/dbraw/zinc/27/43/04/176274304.db2.gz AVSZZUNJIZCGLA-UHFFFAOYSA-N 1 0 259.353 2.633 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000071837251 176274356 /nfs/dbraw/zinc/27/43/56/176274356.db2.gz ICMNMQPOKOYVOE-HZPDHXFCSA-N 1 0 289.354 2.867 50 0 CFAARO CC(C)c1nc2n(n1)C[C@@H]([NH2+]CCc1cccs1)CC2 ZINC000071871846 176284490 /nfs/dbraw/zinc/28/44/90/176284490.db2.gz AGWIKZIIQKJZFU-LBPRGKRZSA-N 1 0 290.436 2.610 50 0 CFAARO Cn1ccnc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000071897268 176292813 /nfs/dbraw/zinc/29/28/13/176292813.db2.gz BXCMNLHIYZRGFL-UHFFFAOYSA-N 1 0 299.418 2.849 50 0 CFAARO CCS[C@@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC000071899660 176293562 /nfs/dbraw/zinc/29/35/62/176293562.db2.gz RRJZJEGVYAVJIH-GFCCVEGCSA-N 1 0 253.415 2.528 50 0 CFAARO CCOC(=O)CCCC[NH+]1CCC(n2cc(C)cn2)CC1 ZINC000071916178 176299114 /nfs/dbraw/zinc/29/91/14/176299114.db2.gz VMKJYHGAQHJDSJ-UHFFFAOYSA-N 1 0 293.411 2.562 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1F ZINC000072050705 176310614 /nfs/dbraw/zinc/31/06/14/176310614.db2.gz DTXWAUPQWWWPHK-DOTOQJQBSA-N 1 0 287.334 2.582 50 0 CFAARO CN(Cc1csc(-c2cccs2)n1)C[C@H]1CC[NH2+]C1 ZINC000072128197 176321140 /nfs/dbraw/zinc/32/11/40/176321140.db2.gz BQHBWRVHWFQNBN-NSHDSACASA-N 1 0 293.461 2.913 50 0 CFAARO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC=CCC1 ZINC000072143864 176324437 /nfs/dbraw/zinc/32/44/37/176324437.db2.gz WNCUMNULTAPNMU-ZDUSSCGKSA-N 1 0 283.375 2.711 50 0 CFAARO c1cc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)cs1 ZINC000072145432 176324683 /nfs/dbraw/zinc/32/46/83/176324683.db2.gz PAHAECYOXNWANK-UHFFFAOYSA-N 1 0 287.432 2.851 50 0 CFAARO OCCC[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072145033 176325228 /nfs/dbraw/zinc/32/52/28/176325228.db2.gz VYNBPOKKDRISCR-OAHLLOKOSA-N 1 0 265.372 2.853 50 0 CFAARO CC(=O)C1(c2ccccc2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072148974 176326282 /nfs/dbraw/zinc/32/62/82/176326282.db2.gz XSZXGQIWTDDMHA-MRXNPFEDSA-N 1 0 287.403 2.646 50 0 CFAARO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]([NH3+])CC1 ZINC000072158095 176329593 /nfs/dbraw/zinc/32/95/93/176329593.db2.gz YLGADNJSMHPUKV-CQSZACIVSA-N 1 0 299.374 2.603 50 0 CFAARO CC(C)[C@H]1C[NH2+][C@@H](C)CN1Cc1ccc(F)cc1 ZINC000072233474 176344866 /nfs/dbraw/zinc/34/48/66/176344866.db2.gz RTDDLSYWFLNVMF-SWLSCSKDSA-N 1 0 250.361 2.644 50 0 CFAARO Clc1cnccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072300380 176364437 /nfs/dbraw/zinc/36/44/37/176364437.db2.gz NMJBRDCZFGEHDJ-GFCCVEGCSA-N 1 0 276.771 2.838 50 0 CFAARO Cc1cccc(Nc2ccc(C3CC[NH2+]CC3)nc2)n1 ZINC000072343470 176372128 /nfs/dbraw/zinc/37/21/28/176372128.db2.gz BSYBUQXELGNHJT-UHFFFAOYSA-N 1 0 268.364 2.996 50 0 CFAARO CCc1ccccc1C[NH+]1CCC2(CN(C)C(=O)O2)CC1 ZINC000072406932 176397818 /nfs/dbraw/zinc/39/78/18/176397818.db2.gz SPQZPMXBJXHJNZ-UHFFFAOYSA-N 1 0 288.391 2.666 50 0 CFAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000072407235 176398072 /nfs/dbraw/zinc/39/80/72/176398072.db2.gz QURVDKQEBOUUJG-UHFFFAOYSA-N 1 0 277.408 2.612 50 0 CFAARO CCCO[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000076409185 177020193 /nfs/dbraw/zinc/02/01/93/177020193.db2.gz LTXRVSUEOPQQGI-OAHLLOKOSA-N 1 0 291.391 2.849 50 0 CFAARO CC[C@H]1CN(C(=O)c2ccc(O)c(C)c2)CC[N@@H+]1C(C)C ZINC000077287992 177249184 /nfs/dbraw/zinc/24/91/84/177249184.db2.gz XUYGVPKRDOUXAF-HNNXBMFYSA-N 1 0 290.407 2.645 50 0 CFAARO CN(Cc1cc(-c2cccnc2)no1)c1cc[nH+]cc1 ZINC000077287129 177249606 /nfs/dbraw/zinc/24/96/06/177249606.db2.gz VXWIIEDERAWSRE-UHFFFAOYSA-N 1 0 266.304 2.768 50 0 CFAARO CCNc1ncc(C[N@@H+]2CCCC[C@H]2CCCOC)cn1 ZINC000077554016 177280923 /nfs/dbraw/zinc/28/09/23/177280923.db2.gz URZHSTYFUQIUQD-HNNXBMFYSA-N 1 0 292.427 2.690 50 0 CFAARO C[C@@H]1C[N@@H+](CCCCOc2ccc(C=O)cc2)C[C@H](C)O1 ZINC000016489004 260099189 /nfs/dbraw/zinc/09/91/89/260099189.db2.gz YEPWQSPGZBBRCM-GASCZTMLSA-N 1 0 291.391 2.767 50 0 CFAARO Cc1ccc2[nH]cc([C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000021793084 260122430 /nfs/dbraw/zinc/12/24/30/260122430.db2.gz MEBZCVNGQAZSSM-INIZCTEOSA-N 1 0 258.365 2.996 50 0 CFAARO CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000225450049 262372413 /nfs/dbraw/zinc/37/24/13/262372413.db2.gz DFBBERXTNDTUEW-INIZCTEOSA-N 1 0 282.472 2.999 50 0 CFAARO C[NH+]1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000020031309 273900359 /nfs/dbraw/zinc/90/03/59/273900359.db2.gz DYRPMOPVNODEGE-UHFFFAOYSA-N 1 0 261.756 2.640 50 0 CFAARO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000253370921 274130093 /nfs/dbraw/zinc/13/00/93/274130093.db2.gz YAJDBMRSEQFPDR-NEBZKDRISA-N 1 0 291.391 2.544 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCCOc2c3ccccc3ccc21)C(N)=O ZINC000097085774 274261658 /nfs/dbraw/zinc/26/16/58/274261658.db2.gz CSFFGUAMSVUWRA-ABAIWWIYSA-N 1 0 284.359 2.517 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237764376 274667008 /nfs/dbraw/zinc/66/70/08/274667008.db2.gz DTLSWDNHRIJEAC-SNVBAGLBSA-N 1 0 278.739 2.568 50 0 CFAARO Cc1ccc2c(c1)NC1(CC[NH2+]CC1)c1cccn1-2 ZINC000052508003 274772635 /nfs/dbraw/zinc/77/26/35/274772635.db2.gz LGTWEELVRZWZBB-UHFFFAOYSA-N 1 0 253.349 2.790 50 0 CFAARO Clc1ccc(N2CCC([NH+]3CCCC3)CC2)nc1 ZINC000084428950 274881328 /nfs/dbraw/zinc/88/13/28/274881328.db2.gz VRWLUJWWXDPPPM-UHFFFAOYSA-N 1 0 265.788 2.800 50 0 CFAARO O=C(Nc1ccc2c(c1)-c1ccccc1C2)[C@H]1CCC[NH2+]1 ZINC000216625226 274997758 /nfs/dbraw/zinc/99/77/58/274997758.db2.gz YYFWXPWIJVWXFW-QGZVFWFLSA-N 1 0 278.355 2.948 50 0 CFAARO O=[n+]1c2c(n(O)cc1-c1cccc3ccccc31)CCC2 ZINC000334157304 275041969 /nfs/dbraw/zinc/04/19/69/275041969.db2.gz WNXBITPZLKHWFM-UHFFFAOYSA-N 1 0 279.319 2.949 50 0 CFAARO c1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000000295007 275067255 /nfs/dbraw/zinc/06/72/55/275067255.db2.gz GQHPQUJGTWIWHZ-AWEZNQCLSA-N 1 0 255.317 2.616 50 0 CFAARO c1ccc2c(c1)-c1ccccc1C2N1CC[NH2+]CC1 ZINC000019287385 275069024 /nfs/dbraw/zinc/06/90/24/275069024.db2.gz GIIZMBGIKACGIZ-UHFFFAOYSA-N 1 0 250.345 2.662 50 0 CFAARO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000122189382 275557881 /nfs/dbraw/zinc/55/78/81/275557881.db2.gz IGPWUGMXAMYXEV-OAHLLOKOSA-N 1 0 290.407 2.894 50 0 CFAARO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000089729144 275867557 /nfs/dbraw/zinc/86/75/57/275867557.db2.gz SPCUABRTKVMLCL-ZIAGYGMSSA-N 1 0 252.402 2.720 50 0 CFAARO CCC(CC)[NH2+][C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC000065386977 275957619 /nfs/dbraw/zinc/95/76/19/275957619.db2.gz TZCAAPHZWBBSDP-ZDUSSCGKSA-N 1 0 276.380 2.579 50 0 CFAARO CCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000006655467 276223556 /nfs/dbraw/zinc/22/35/56/276223556.db2.gz BZYJTNJQADRYCE-ZBFHGGJFSA-N 1 0 272.392 2.929 50 0 CFAARO CC[C@H](C)[NH2+]C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434700 276558744 /nfs/dbraw/zinc/55/87/44/276558744.db2.gz JKPCDWTZUZMBCC-QMCVRULOSA-N 1 0 281.440 2.721 50 0 CFAARO C[NH+](C)C[C@@H]1CCCC[C@H]1OC(=O)c1ccccc1 ZINC000000392589 276795525 /nfs/dbraw/zinc/79/55/25/276795525.db2.gz OYIQBJVQPZHJHK-LSDHHAIUSA-N 1 0 261.365 2.964 50 0 CFAARO C[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000244601737 277053128 /nfs/dbraw/zinc/05/31/28/277053128.db2.gz DRDTZVQFUXXXKQ-ZBFHGGJFSA-N 1 0 272.392 2.522 50 0 CFAARO COC(=O)N1CCC([NH2+][C@H]2CCCc3sccc32)CC1 ZINC000095420831 277071433 /nfs/dbraw/zinc/07/14/33/277071433.db2.gz FCMGSHMFRVFLFA-ZDUSSCGKSA-N 1 0 294.420 2.946 50 0 CFAARO CC(C)(C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)C(N)=O ZINC000123684157 277303148 /nfs/dbraw/zinc/30/31/48/277303148.db2.gz GUZJPRLXYBUSRJ-UONOGXRCSA-N 1 0 274.408 2.670 50 0 CFAARO COc1ccc(-c2cccc3c(N)cc[nH+]c32)cn1 ZINC000065366275 277859750 /nfs/dbraw/zinc/85/97/50/277859750.db2.gz QGLGBKBPPFWUES-UHFFFAOYSA-N 1 0 251.289 2.888 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000014242314 278003970 /nfs/dbraw/zinc/00/39/70/278003970.db2.gz LSWMVNUKILGFOG-JKIFEVAISA-N 1 0 286.419 2.984 50 0 CFAARO C[C@@H](C(N)=O)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000065625748 278217590 /nfs/dbraw/zinc/21/75/90/278217590.db2.gz DENPVIYKFHYJRR-ZDUSSCGKSA-N 1 0 268.360 2.659 50 0 CFAARO C[C@@H](C1CC1)[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000042123229 278218992 /nfs/dbraw/zinc/21/89/92/278218992.db2.gz OBQPGRUDNHVABH-DVOMOZLQSA-N 1 0 278.440 2.944 50 0 CFAARO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCS1 ZINC000095969260 278220834 /nfs/dbraw/zinc/22/08/34/278220834.db2.gz VKCZJMCSERALHD-KBPBESRZSA-N 1 0 284.469 2.653 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CSc2ccccc21 ZINC000252648985 278230808 /nfs/dbraw/zinc/23/08/08/278230808.db2.gz WMLUMAYVLRHNHA-FPMFFAJLSA-N 1 0 290.432 2.604 50 0 CFAARO C[C@@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(F)cc1 ZINC000004806338 278283178 /nfs/dbraw/zinc/28/31/78/278283178.db2.gz UVFBAXLYDGCZTG-SWLSCSKDSA-N 1 0 267.344 2.609 50 0 CFAARO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccccn1 ZINC000095978196 278294771 /nfs/dbraw/zinc/29/47/71/278294771.db2.gz MCZXZEQNCQMISU-LRDDRELGSA-N 1 0 274.339 2.823 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccncc1 ZINC000095402199 278354726 /nfs/dbraw/zinc/35/47/26/278354726.db2.gz QYZKOFZIFYOHEM-TZMCWYRMSA-N 1 0 256.353 2.506 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000044136287 278410332 /nfs/dbraw/zinc/41/03/32/278410332.db2.gz KTKQDEYFBRXGAI-KBPBESRZSA-N 1 0 276.380 2.738 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC000065475171 278783807 /nfs/dbraw/zinc/78/38/07/278783807.db2.gz BYKAIMHWVQSWCN-OAHLLOKOSA-N 1 0 290.382 2.835 50 0 CFAARO Cc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019850796 278858658 /nfs/dbraw/zinc/85/86/58/278858658.db2.gz LRAIVZSSYJVWOC-SFHVURJKSA-N 1 0 266.388 2.990 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000097159642 279055077 /nfs/dbraw/zinc/05/50/77/279055077.db2.gz QBBCNHORQHINTH-NHYWBVRUSA-N 1 0 265.401 2.711 50 0 CFAARO Cc1nn(C)c2c1C(c1cccc(Cl)c1)=[NH+]CCN2 ZINC000000002263 279201187 /nfs/dbraw/zinc/20/11/87/279201187.db2.gz YCWROMXNZZIJDQ-UHFFFAOYSA-N 1 0 274.755 2.645 50 0 in-man CFAARO C[C@H](C1CC1)[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000252586190 279241875 /nfs/dbraw/zinc/24/18/75/279241875.db2.gz OBQPGRUDNHVABH-IOASZLSFSA-N 1 0 278.440 2.944 50 0 CFAARO Cc1[nH]c2c(cccc2[C@H]2[NH2+]CCc3nc[nH]c32)c1C ZINC000067756272 280183736 /nfs/dbraw/zinc/18/37/36/280183736.db2.gz LSERCHCARXYWQF-OAHLLOKOSA-N 1 0 266.348 2.743 50 0 CFAARO Cc1[nH]c2c(cccc2[C@@H]2[NH2+]CCc3nc[nH]c32)c1C ZINC000067756276 280183823 /nfs/dbraw/zinc/18/38/23/280183823.db2.gz LSERCHCARXYWQF-HNNXBMFYSA-N 1 0 266.348 2.743 50 0 CFAARO O=C(c1ccc(F)cc1F)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058392919 280186210 /nfs/dbraw/zinc/18/62/10/280186210.db2.gz ILYYHGGSHRNVTK-CYBMUJFWSA-N 1 0 294.345 2.665 50 0 CFAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CCCC[C@H]([NH3+])C1 ZINC000082106084 280267673 /nfs/dbraw/zinc/26/76/73/280267673.db2.gz MFLDYPRNIQCDQA-AWEZNQCLSA-N 1 0 299.418 2.749 50 0 CFAARO Cc1ccc(Cl)c(NC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000097347036 280840862 /nfs/dbraw/zinc/84/08/62/280840862.db2.gz KQIHAIPSKCMUEG-LLVKDONJSA-N 1 0 281.787 2.994 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000012289072 280924136 /nfs/dbraw/zinc/92/41/36/280924136.db2.gz JRDUHCQHWWEBQK-BZUAXINKSA-N 1 0 277.408 2.998 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000252452151 281076157 /nfs/dbraw/zinc/07/61/57/281076157.db2.gz RMBASOVUGZZLBI-GRLPFUAJSA-N 1 0 276.355 2.567 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000254990198 281082902 /nfs/dbraw/zinc/08/29/02/281082902.db2.gz DTXBSQKQCRAXPY-UJZCVKTISA-N 1 0 298.308 2.668 50 0 CFAARO Cc1ccc2c(c1)ncn(CC[C@H]1CCCC[N@H+]1C)c2=O ZINC000032587120 281132272 /nfs/dbraw/zinc/13/22/72/281132272.db2.gz YJGRTMGEZDVGDY-CQSZACIVSA-N 1 0 285.391 2.579 50 0 CFAARO Cc1[nH+]c(N)ccc1C[C@H]1COc2ccccc2C1 ZINC000091914633 281918978 /nfs/dbraw/zinc/91/89/78/281918978.db2.gz GRHOKKVXWLMBTL-GFCCVEGCSA-N 1 0 254.333 2.766 50 0 CFAARO C[NH+](C)C1CCC2(CC1)CCN(c1ncc(F)cn1)CC2 ZINC000408524684 282049220 /nfs/dbraw/zinc/04/92/20/282049220.db2.gz XMDDRUQUVVDKFV-UHFFFAOYSA-N 1 0 292.402 2.707 50 0 CFAARO C[NH+](C)C[C@H]1CSCC[C@@]1(O)c1ccccc1Cl ZINC000000347820 289218886 /nfs/dbraw/zinc/21/88/86/289218886.db2.gz FBNMNJLSOXDEEC-FZMZJTMJSA-N 1 0 285.840 2.842 50 0 CFAARO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccccc1 ZINC000350670892 290130897 /nfs/dbraw/zinc/13/08/97/290130897.db2.gz UZODWFXRQJPZBJ-CHWSQXEVSA-N 1 0 296.361 2.839 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(F)cc(F)c2)N1 ZINC000004632322 295209908 /nfs/dbraw/zinc/20/99/08/295209908.db2.gz RODXGCXYVWBKOI-ZDUSSCGKSA-N 1 0 299.284 2.602 50 0 CFAARO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2F)C[C@H]1[NH+](C)C ZINC000078894577 300106540 /nfs/dbraw/zinc/10/65/40/300106540.db2.gz YBMWKJWJSWOBDF-SWLSCSKDSA-N 1 0 292.398 2.512 50 0 CFAARO Cc1cnc(N[C@@H](C[NH+](C)C)c2ccccc2)nc1N(C)C ZINC000065504116 302364000 /nfs/dbraw/zinc/36/40/00/302364000.db2.gz IYTHGAABZJPDCD-HNNXBMFYSA-N 1 0 299.422 2.566 50 0 CFAARO C[C@H](C[NH+]1CCCCCC1)NCc1cccc(CO)c1 ZINC000534576661 328310220 /nfs/dbraw/zinc/31/02/20/328310220.db2.gz GLKAVJGJBFEPSO-OAHLLOKOSA-N 1 0 276.424 2.533 50 0 CFAARO O=C(CCC(F)(F)F)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000534646439 328329311 /nfs/dbraw/zinc/32/93/11/328329311.db2.gz BZRIBIVKCRFOBU-UHFFFAOYSA-N 1 0 292.345 2.711 50 0 CFAARO Cc1ccc2c(c1)c(C[NH2+][C@@H]1CCCSC1)nn2C ZINC000534649926 328336209 /nfs/dbraw/zinc/33/62/09/328336209.db2.gz SGEFAOQZMUBDKJ-GFCCVEGCSA-N 1 0 275.421 2.867 50 0 CFAARO C[C@@H](CCO)[NH2+]CC1(c2cccc(F)c2)CCCC1 ZINC000534650429 328336885 /nfs/dbraw/zinc/33/68/85/328336885.db2.gz DOEYFDWVYBERSY-ZDUSSCGKSA-N 1 0 265.372 2.998 50 0 CFAARO CC[NH+](CC)CC1(NC(=O)c2ccc(OC)cc2C)CC1 ZINC000534651152 328337435 /nfs/dbraw/zinc/33/74/35/328337435.db2.gz OTBRPBOKQWJDBN-UHFFFAOYSA-N 1 0 290.407 2.608 50 0 CFAARO Fc1cccc(-c2cc(C[NH2+][C@H]3CCCOC3)on2)c1 ZINC000534647332 328342748 /nfs/dbraw/zinc/34/27/48/328342748.db2.gz HZMHPURINKXWHI-ZDUSSCGKSA-N 1 0 276.311 2.749 50 0 CFAARO CCOC(=O)c1nc(C[NH2+][C@H]2CCCC[C@H]2C)cs1 ZINC000097096329 323617616 /nfs/dbraw/zinc/61/76/16/323617616.db2.gz UALUALPCLLRTNG-PWSUYJOCSA-N 1 0 282.409 2.988 50 0 CFAARO CC(=O)N1CCC(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000097098891 323617633 /nfs/dbraw/zinc/61/76/33/323617633.db2.gz RCCNBDISHOJNAW-WMLDXEAASA-N 1 0 278.440 2.827 50 0 CFAARO FC(F)(F)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000174189830 323644865 /nfs/dbraw/zinc/64/48/65/323644865.db2.gz XLWXBWDGOMUDBI-NSHDSACASA-N 1 0 251.292 2.830 50 0 CFAARO c1cn(CC[NH2+]C2(c3ccccc3)CCCC2)cn1 ZINC000183538938 323920933 /nfs/dbraw/zinc/92/09/33/323920933.db2.gz NINJGQXCTUFVKT-UHFFFAOYSA-N 1 0 255.365 2.942 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000190035139 324036333 /nfs/dbraw/zinc/03/63/33/324036333.db2.gz BOSTUVDLPYWVAS-BBBLOLIVSA-N 1 0 271.348 2.564 50 0 CFAARO CC1CC[NH+](CC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000007460309 326821515 /nfs/dbraw/zinc/82/15/15/326821515.db2.gz ANCZHRBRCLLBID-UHFFFAOYSA-N 1 0 299.418 2.559 50 0 CFAARO CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1cccnc1 ZINC000069622256 327100334 /nfs/dbraw/zinc/10/03/34/327100334.db2.gz VXUNXHAYTCSGCZ-AWEZNQCLSA-N 1 0 277.412 2.771 50 0 CFAARO Cc1nn(CCO)c(C)c1C[NH2+]C1(C)CCCCCC1 ZINC000069623613 327100635 /nfs/dbraw/zinc/10/06/35/327100635.db2.gz FWUDPWXWUYCIFZ-UHFFFAOYSA-N 1 0 279.428 2.695 50 0 CFAARO NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](C[NH3+])CC1 ZINC000245224440 329112781 /nfs/dbraw/zinc/11/27/81/329112781.db2.gz WOWGXXNANQWGIH-MGCOHNPYSA-N 1 0 289.404 2.628 50 0 CFAARO COC(C[NH+]1CCC(c2cccc(F)c2F)CC1)OC ZINC000225453041 329528731 /nfs/dbraw/zinc/52/87/31/329528731.db2.gz CJVILQQZWDUERQ-UHFFFAOYSA-N 1 0 285.334 2.763 50 0 CFAARO O=C(Cc1ccc(Cl)s1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337810818 330351582 /nfs/dbraw/zinc/35/15/82/330351582.db2.gz LQKZWNRIXLNBQN-WDEREUQCSA-N 1 0 298.839 2.687 50 0 CFAARO CC(C)(F)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000154193305 330653705 /nfs/dbraw/zinc/65/37/05/330653705.db2.gz JZYBTCHVLJCRSI-UHFFFAOYSA-N 1 0 296.361 2.654 50 0 CFAARO Cc1nc(NCCC[N@@H+]2CCC[C@@H](CO)C2)ccc1Cl ZINC000828711218 782103382 /nfs/dbraw/zinc/10/33/82/782103382.db2.gz SEAOFMBZFLKTEI-CYBMUJFWSA-N 1 0 297.830 2.550 50 0 CFAARO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000097016817 533961856 /nfs/dbraw/zinc/96/18/56/533961856.db2.gz GNTNSSWUMSNISO-KBAYOESNSA-N 1 0 288.435 2.808 50 0 CFAARO CC(=O)c1cc(C[N@H+](C)CCC[C@@H]2CCCO2)n(C)c1 ZINC000215086293 518275557 /nfs/dbraw/zinc/27/55/57/518275557.db2.gz LZJUGFDLRKDZFS-MRXNPFEDSA-N 1 0 278.396 2.619 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000019871893 521004725 /nfs/dbraw/zinc/00/47/25/521004725.db2.gz JBOCIVFYQFWXFJ-KRWDZBQOSA-N 1 0 271.360 2.909 50 0 CFAARO CC[NH+]1CCC(CC(=O)NCC2=CCCCC2)CC1 ZINC000095353285 521545733 /nfs/dbraw/zinc/54/57/33/521545733.db2.gz GQTGNTDBBFJDKA-UHFFFAOYSA-N 1 0 264.413 2.725 50 0 CFAARO C[C@H](CC[N@@H+]1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000193766855 524178835 /nfs/dbraw/zinc/17/88/35/524178835.db2.gz TZSPGXPYHXCEHE-AEFFLSMTSA-N 1 0 288.435 2.587 50 0 CFAARO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)c1 ZINC000338527148 524899836 /nfs/dbraw/zinc/89/98/36/524899836.db2.gz AIJCTVSVALZHDA-MSOLQXFVSA-N 1 0 294.398 2.696 50 0 CFAARO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1F ZINC000253370165 525336091 /nfs/dbraw/zinc/33/60/91/525336091.db2.gz NCYNKJKFVQEHIB-DRZSPHRISA-N 1 0 267.344 2.788 50 0 CFAARO CSCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000012316881 525510908 /nfs/dbraw/zinc/51/09/08/525510908.db2.gz PNYHVWRHBMIEDN-UHFFFAOYSA-N 1 0 283.347 2.808 50 0 CFAARO COc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1 ZINC000019871897 526037055 /nfs/dbraw/zinc/03/70/55/526037055.db2.gz MHEHZSWZFJUYMH-CXAGYDPISA-N 1 0 271.360 2.907 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)cc1F ZINC000156241183 526247520 /nfs/dbraw/zinc/24/75/20/526247520.db2.gz HEOOCKGNQHMBRO-GHMZBOCLSA-N 1 0 298.789 2.987 50 0 CFAARO Cc1nc2ccccc2cc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156433003 527161471 /nfs/dbraw/zinc/16/14/71/527161471.db2.gz PUGJRUAHKRQRAK-DOMZBBRYSA-N 1 0 297.402 2.743 50 0 CFAARO [NH3+]CCCCCC(=O)OCc1cccc(Cl)c1 ZINC000087090591 527172708 /nfs/dbraw/zinc/17/27/08/527172708.db2.gz JIMQXBJSBNZLIS-UHFFFAOYSA-N 1 0 255.745 2.902 50 0 CFAARO CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C)cc1 ZINC000096491537 528327675 /nfs/dbraw/zinc/32/76/75/528327675.db2.gz BQHAXDPUOHZFSP-GFCCVEGCSA-N 1 0 280.437 2.926 50 0 CFAARO CC(C)n1cncc1C[N@H+](C)[C@H]1CCOC(C)(C)C1 ZINC000097743482 528619740 /nfs/dbraw/zinc/61/97/40/528619740.db2.gz AZCZNLFGLIURJT-ZDUSSCGKSA-N 1 0 265.401 2.853 50 0 CFAARO CCOC(=O)N1CCC([NH2+]CCc2ccc(F)cc2)CC1 ZINC000000757681 528956254 /nfs/dbraw/zinc/95/62/54/528956254.db2.gz YTYPVNABDGIZQA-UHFFFAOYSA-N 1 0 294.370 2.579 50 0 CFAARO CCS[C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000096451436 529228560 /nfs/dbraw/zinc/22/85/60/529228560.db2.gz RZVCHSSRZLYOAZ-OLZOCXBDSA-N 1 0 272.458 2.507 50 0 CFAARO C[NH+](C)C1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000169725732 536114925 /nfs/dbraw/zinc/11/49/25/536114925.db2.gz NAFLRAXVXOSUEU-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO CCn1ccnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000092037936 536118901 /nfs/dbraw/zinc/11/89/01/536118901.db2.gz FIZOSOXQORLJTR-CYBMUJFWSA-N 1 0 256.353 2.682 50 0 CFAARO CC[C@H](C(=O)NC1(c2cc(F)ccc2F)CC1)[N@H+](C)CC ZINC000952970756 615605510 /nfs/dbraw/zinc/60/55/10/615605510.db2.gz FIYTZJLZJYWCOM-CQSZACIVSA-N 1 0 296.361 2.800 50 0 CFAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc[nH]c3)cc2)CC1 ZINC000952968032 616176381 /nfs/dbraw/zinc/17/63/81/616176381.db2.gz JCKZHHFLNLOGBX-UHFFFAOYSA-N 1 0 299.374 2.740 50 0 CFAARO CC[NH+](CC)C[C@@H](C)[C@H](C)OC(=O)c1ccc(O)cc1 ZINC000002900290 618086267 /nfs/dbraw/zinc/08/62/67/618086267.db2.gz WGGFZEPTHKRXIN-OLZOCXBDSA-N 1 0 279.380 2.915 50 0 CFAARO CN1CC[NH+](CCCCCOc2ccccc2F)CC1 ZINC000022033965 617945465 /nfs/dbraw/zinc/94/54/65/617945465.db2.gz KWWCXDBIPSFFRZ-UHFFFAOYSA-N 1 0 280.387 2.622 50 0 CFAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078309 617962513 /nfs/dbraw/zinc/96/25/13/617962513.db2.gz CCKDFFOOFQYJFW-ABAIWWIYSA-N 1 0 266.335 2.633 50 0 CFAARO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)NC1CCCC1 ZINC000179678200 618855254 /nfs/dbraw/zinc/85/52/54/618855254.db2.gz HFSBOZKGABHNED-UHFFFAOYSA-N 1 0 292.810 2.978 50 0 CFAARO CN(C(=O)c1cnc(C(C)(C)C)s1)C1CC[NH+](C)CC1 ZINC000067777838 620234528 /nfs/dbraw/zinc/23/45/28/620234528.db2.gz WAVJHPBHSJMTOA-UHFFFAOYSA-N 1 0 295.452 2.607 50 0 CFAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030283107 623570510 /nfs/dbraw/zinc/57/05/10/623570510.db2.gz VTVBIHQEZZNUEH-GFCCVEGCSA-N 1 0 290.382 2.877 50 0 CFAARO O[C@@H](CSc1ccccc1)C[NH+]1CCCCC1 ZINC000000210869 623601763 /nfs/dbraw/zinc/60/17/63/623601763.db2.gz WVGGBPHANFJFIU-CYBMUJFWSA-N 1 0 251.395 2.626 50 0 CFAARO C=CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000848979116 623786301 /nfs/dbraw/zinc/78/63/01/623786301.db2.gz DHYPPZIQIOECLF-GOSISDBHSA-N 1 0 284.403 2.687 50 0 CFAARO OC[C@@H]1CCC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000104961620 623997043 /nfs/dbraw/zinc/99/70/43/623997043.db2.gz AEEMHSBZPOVDLY-NSHDSACASA-N 1 0 289.297 2.541 50 0 CFAARO Cc1ccc(-c2noc(C[C@H]3CC[N@@H+](C)C3)n2)cc1F ZINC000874435447 624452604 /nfs/dbraw/zinc/45/26/04/624452604.db2.gz SRFGTOLRTIRRAV-LLVKDONJSA-N 1 0 275.327 2.678 50 0 CFAARO Cc1c([C@H](C)[NH2+]Cc2cnn(C)c2)cnn1-c1ccccc1 ZINC000012757413 626267683 /nfs/dbraw/zinc/26/76/83/626267683.db2.gz MATVSFUILULQHM-ZDUSSCGKSA-N 1 0 295.390 2.765 50 0 CFAARO C[C@@H]1C[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[C@@H](C)C1 ZINC000757211140 630883071 /nfs/dbraw/zinc/88/30/71/630883071.db2.gz JOHIBZFLEHXBNV-SVNGYHJRSA-N 1 0 264.335 2.551 50 0 CFAARO C[C@@H]1C[C@@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C[C@H](C)[NH2+]1 ZINC000757215507 630884180 /nfs/dbraw/zinc/88/41/80/630884180.db2.gz VNWPWQXZILJDAA-ROHXPCBUSA-N 1 0 264.335 2.694 50 0 CFAARO CC(C)CCCC[NH2+][C@@H](c1nncn1C)C(C)C ZINC000864087320 637866696 /nfs/dbraw/zinc/86/66/96/637866696.db2.gz SNLMJBMDIGDXRU-CYBMUJFWSA-N 1 0 252.406 2.928 50 0 CFAARO CCOc1ccc(C[NH2+]CC2CSC2)cc1F ZINC000864087626 637867090 /nfs/dbraw/zinc/86/70/90/637867090.db2.gz XSZHUDGPOTWYFQ-UHFFFAOYSA-N 1 0 255.358 2.677 50 0 CFAARO C[C@@H](C1CC1)[N@H+](Cc1nc2ccccc2c(=O)n1C)C1CC1 ZINC000195514511 650755918 /nfs/dbraw/zinc/75/59/18/650755918.db2.gz USLSOOMDJOKINM-LBPRGKRZSA-N 1 0 297.402 2.696 50 0 CFAARO Cc1nnc([C@@H](C)[NH2+]C2CCC3(CC3(F)F)CC2)[nH]1 ZINC000952963022 650790144 /nfs/dbraw/zinc/79/01/44/650790144.db2.gz BKIWKAQTIDQNGD-DUACVJHASA-N 1 0 270.327 2.732 50 0 CFAARO Cc1cc(N2CCC(CNC(=O)c3ccco3)CC2)cc[nH+]1 ZINC000952983013 650791732 /nfs/dbraw/zinc/79/17/32/650791732.db2.gz NJJDTLDQAYGNDI-UHFFFAOYSA-N 1 0 299.374 2.629 50 0 CFAARO Cc1cc(C)cc(C(=O)NCc2nc3c([nH]2)CCCC3)c1 ZINC000952993565 650792683 /nfs/dbraw/zinc/79/26/83/650792683.db2.gz PAGPWFJDAHBXKF-UHFFFAOYSA-N 1 0 283.375 2.835 50 0 CFAARO CN(CCCC[NH+](C)C)c1ccc(C(F)(F)F)cn1 ZINC000952993091 650792956 /nfs/dbraw/zinc/79/29/56/650792956.db2.gz VZDKNHJDQOGTFY-UHFFFAOYSA-N 1 0 275.318 2.878 50 0 CFAARO C[C@@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccccc2F)C1 ZINC000952994670 650792968 /nfs/dbraw/zinc/79/29/68/650792968.db2.gz STJBRXUQOJROEY-LLVKDONJSA-N 1 0 259.328 2.743 50 0 CFAARO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSC(N)=[NH2+] ZINC000022015263 643186017 /nfs/dbraw/zinc/18/60/17/643186017.db2.gz UULDNRPGJFTOQX-VWYCJHECSA-N 1 0 272.414 2.617 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccco1)c1ccsc1 ZINC000103416402 647494596 /nfs/dbraw/zinc/49/45/96/647494596.db2.gz AYDBMAMTZXPBJS-GEXIGZQTSA-N 1 0 290.388 2.773 50 0 CFAARO OC[C@H]1CCC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000104961616 647687245 /nfs/dbraw/zinc/68/72/45/647687245.db2.gz AEEMHSBZPOVDLY-LLVKDONJSA-N 1 0 289.297 2.541 50 0 CFAARO CN(C(=O)c1ccc2ccccc2c1O)[C@@H]1CCC[N@H+](C)C1 ZINC000123392708 647835500 /nfs/dbraw/zinc/83/55/00/647835500.db2.gz BUOIXNHTVJDKIA-CQSZACIVSA-N 1 0 298.386 2.712 50 0 CFAARO CC(=O)N1CCC([N@H+]2CCO[C@@H](CCCC(C)C)C2)CC1 ZINC000015072185 651184510 /nfs/dbraw/zinc/18/45/10/651184510.db2.gz ZMNIYEYTHZESNI-KRWDZBQOSA-N 1 0 296.455 2.524 50 0 CFAARO CCCC[NH2+]CCCOc1c(OC)cccc1OC ZINC000016677450 651259565 /nfs/dbraw/zinc/25/95/65/651259565.db2.gz ZXLYKPXJSKRYEE-UHFFFAOYSA-N 1 0 267.369 2.862 50 0 CFAARO COc1cccc(C[C@H]2C[N@@H+](C3CCCC3)CCO2)c1 ZINC000019339823 651289324 /nfs/dbraw/zinc/28/93/24/651289324.db2.gz OIMIAQXGTASMIN-KRWDZBQOSA-N 1 0 275.392 2.881 50 0 CFAARO O=C(c1ccc2occc2c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000020109912 651296688 /nfs/dbraw/zinc/29/66/88/651296688.db2.gz VIZYVSNOYLJQDE-HNNXBMFYSA-N 1 0 284.359 2.743 50 0 CFAARO C[N@@H+](Cc1[nH]nc2c1CCCCC2)CC1CCOCC1 ZINC000020149596 651297343 /nfs/dbraw/zinc/29/73/43/651297343.db2.gz SLUXVOYGKINPBV-UHFFFAOYSA-N 1 0 277.412 2.537 50 0 CFAARO CO[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000020560599 651299641 /nfs/dbraw/zinc/29/96/41/651299641.db2.gz YZFACSBAEWCVEX-CQSZACIVSA-N 1 0 262.328 2.918 50 0 CFAARO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000194658315 775201987 /nfs/dbraw/zinc/20/19/87/775201987.db2.gz LWMREIMCXIFTJE-AWEZNQCLSA-N 1 0 299.374 2.556 50 0 CFAARO CC(C)c1nccc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000585651300 776543675 /nfs/dbraw/zinc/54/36/75/776543675.db2.gz CFZZJUACKPQNSQ-FUNVUKJBSA-N 1 0 261.369 2.604 50 0 CFAARO Cc1ccnc(N[C@@H]2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)n1 ZINC000032541034 779028006 /nfs/dbraw/zinc/02/80/06/779028006.db2.gz NWLQXJNDCXEURU-DLBZAZTESA-N 1 0 296.418 2.760 50 0 CFAARO Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)c(C)s1 ZINC000032577594 779064601 /nfs/dbraw/zinc/06/46/01/779064601.db2.gz OQXBHKNLXQYFIG-HNNXBMFYSA-N 1 0 288.416 2.551 50 0 CFAARO Cc1ccc([C@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)o1 ZINC000952853156 780080087 /nfs/dbraw/zinc/08/00/87/780080087.db2.gz MYDWXFODLRZOJP-BLLLJJGKSA-N 1 0 286.331 2.854 50 0 CFAARO c1csc(CN2CCC([NH2+][C@H]3CCSC3)CC2)c1 ZINC000820430498 781867967 /nfs/dbraw/zinc/86/79/67/781867967.db2.gz SFBKWDDTILCLDK-ZDUSSCGKSA-N 1 0 282.478 2.808 50 0 CFAARO C[C@@H](Cc1ccsc1)NC(=O)C[NH+]1CCCCCC1 ZINC000821471596 781884378 /nfs/dbraw/zinc/88/43/78/781884378.db2.gz DXFRHJIYVVWRPS-ZDUSSCGKSA-N 1 0 280.437 2.671 50 0 CFAARO Cc1nccn1C[C@@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000821751148 781885508 /nfs/dbraw/zinc/88/55/08/781885508.db2.gz JZMHBJPAAZHVBS-MRXNPFEDSA-N 1 0 298.434 2.792 50 0 CFAARO C[C@@](O)(C[NH2+][C@@H]1CCc2ccccc2C1)c1ccco1 ZINC000096478470 230379922 /nfs/dbraw/zinc/37/99/22/230379922.db2.gz FXNGIJUYEQBCHK-NVXWUHKLSA-N 1 0 271.360 2.634 50 0 CFAARO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccccn1 ZINC000096486387 230381708 /nfs/dbraw/zinc/38/17/08/230381708.db2.gz DCLBDHALTPNTGC-YPMHNXCESA-N 1 0 262.378 2.745 50 0 CFAARO C[C@@H]([NH2+]CC(N)=O)c1ccc(Oc2ccccc2)cc1 ZINC000096491416 230382612 /nfs/dbraw/zinc/38/26/12/230382612.db2.gz FKCIJQYPASVRAX-GFCCVEGCSA-N 1 0 270.332 2.615 50 0 CFAARO C[NH+](C)[C@H]1CCCN(Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000097831094 230387705 /nfs/dbraw/zinc/38/77/05/230387705.db2.gz HGKKLKALTUHFHG-AWEZNQCLSA-N 1 0 278.444 2.623 50 0 CFAARO Cc1nsc(N2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000408524046 230405677 /nfs/dbraw/zinc/40/56/77/230405677.db2.gz XEBAEJSYVPXZLK-UHFFFAOYSA-N 1 0 288.420 2.605 50 0 CFAARO C[C@@H](CCC(=O)NCc1ccccc1F)[NH+]1CCCC1 ZINC000426477812 230419462 /nfs/dbraw/zinc/41/94/62/230419462.db2.gz ZXLBRFVSVSGMIJ-ZDUSSCGKSA-N 1 0 278.371 2.706 50 0 CFAARO CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)c2cncs2)CC1 ZINC000095518492 185002816 /nfs/dbraw/zinc/00/28/16/185002816.db2.gz NEHTTWUFBKDTOQ-LBPRGKRZSA-N 1 0 295.452 2.783 50 0 CFAARO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000222830229 230398718 /nfs/dbraw/zinc/39/87/18/230398718.db2.gz YBSVWAIBNMQNHA-MRXNPFEDSA-N 1 0 298.386 2.952 50 0 CFAARO Cc1cccc2cc(C(=O)N3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)oc21 ZINC000426719932 230427782 /nfs/dbraw/zinc/42/77/82/230427782.db2.gz NSYQSSNWUYUDEC-NMWPEEMBSA-N 1 0 296.370 2.564 50 0 CFAARO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 ZINC000095616977 185016210 /nfs/dbraw/zinc/01/62/10/185016210.db2.gz POBHRISOEYFBNZ-LBPRGKRZSA-N 1 0 260.724 2.664 50 0 CFAARO CC[N@@H+]1CC=C(c2ccccc2)[C@@H](C(=O)OC(C)C)C1 ZINC000095918270 185030799 /nfs/dbraw/zinc/03/07/99/185030799.db2.gz FBQJAOUCQBHKHA-INIZCTEOSA-N 1 0 273.376 2.973 50 0 CFAARO OCCCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000095947418 185037995 /nfs/dbraw/zinc/03/79/95/185037995.db2.gz RTPISBJIWLSICH-UHFFFAOYSA-N 1 0 296.842 2.620 50 0 CFAARO COc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)s1 ZINC000095966904 185045897 /nfs/dbraw/zinc/04/58/97/185045897.db2.gz FGIPBCMLCNKQAV-UHFFFAOYSA-N 1 0 283.393 2.532 50 0 CFAARO COc1cccc([C@H](O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000095967877 185046546 /nfs/dbraw/zinc/04/65/46/185046546.db2.gz IICSTOJMYOHCES-CABCVRRESA-N 1 0 293.407 2.664 50 0 CFAARO CCS(=O)(=O)CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000095967648 185046830 /nfs/dbraw/zinc/04/68/30/185046830.db2.gz LAFKUFUJJNWUHU-LBPRGKRZSA-N 1 0 295.404 2.827 50 0 CFAARO Cc1ccc(C[C@H]([NH2+]Cc2cnn(C)c2)C2CC2)cc1 ZINC000095967415 185046976 /nfs/dbraw/zinc/04/69/76/185046976.db2.gz CCBPSSAWFRWGPC-KRWDZBQOSA-N 1 0 269.392 2.839 50 0 CFAARO COc1ccccc1C1(C[NH2+][C@@H]2CCSC2)CC1 ZINC000095967572 185047173 /nfs/dbraw/zinc/04/71/73/185047173.db2.gz ZEFVBZXCGPNTSW-GFCCVEGCSA-N 1 0 263.406 2.822 50 0 CFAARO COc1ccc(C2(C[NH2+][C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000095969345 185047994 /nfs/dbraw/zinc/04/79/94/185047994.db2.gz AVDCFHJPQGYXJR-ZDUSSCGKSA-N 1 0 285.391 2.811 50 0 CFAARO C[C@@H](CO)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000095973535 185049241 /nfs/dbraw/zinc/04/92/41/185049241.db2.gz KBBOSWQSGNEBND-ZETCQYMHSA-N 1 0 267.678 2.829 50 0 CFAARO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@@H]1CCOC1 ZINC000095977678 185051974 /nfs/dbraw/zinc/05/19/74/185051974.db2.gz WHKKCJXFNYSKOP-NSHDSACASA-N 1 0 257.736 2.947 50 0 CFAARO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccncc1 ZINC000095978213 185052238 /nfs/dbraw/zinc/05/22/38/185052238.db2.gz RJNLUVIFUNWHAW-YPMHNXCESA-N 1 0 262.378 2.745 50 0 CFAARO C[N@@H+](Cc1ccc(Cl)c(F)c1)C[C@H]1CCOC1 ZINC000095977679 185052344 /nfs/dbraw/zinc/05/23/44/185052344.db2.gz WHKKCJXFNYSKOP-LLVKDONJSA-N 1 0 257.736 2.947 50 0 CFAARO C[C@@H]1CCc2nc(C[NH2+]C3(CO)CCCC3)sc2C1 ZINC000095980158 185052552 /nfs/dbraw/zinc/05/25/52/185052552.db2.gz QGAJCPUOLFFHKZ-LLVKDONJSA-N 1 0 280.437 2.663 50 0 CFAARO C[N@H+](CCc1ccc2c(c1)CCO2)Cc1cccnc1 ZINC000095981761 185053936 /nfs/dbraw/zinc/05/39/36/185053936.db2.gz CTGPDCXSMXTMGM-UHFFFAOYSA-N 1 0 268.360 2.691 50 0 CFAARO C[C@H]([NH2+]CC1CCC1)c1ccc(-n2ccnn2)cc1 ZINC000095986057 185056218 /nfs/dbraw/zinc/05/62/18/185056218.db2.gz QYKXNNFQFVEJDC-LBPRGKRZSA-N 1 0 256.353 2.718 50 0 CFAARO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ncnc32)C1(C)C ZINC000095987994 185056985 /nfs/dbraw/zinc/05/69/85/185056985.db2.gz KUPGEIJYBZNBGD-HZSPNIEDSA-N 1 0 292.427 2.686 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)C12CCC2 ZINC000095987968 185057080 /nfs/dbraw/zinc/05/70/80/185057080.db2.gz FVVQERVYGKRJJO-QWHCGFSZSA-N 1 0 295.452 2.646 50 0 CFAARO NC(=O)C[C@H]([NH2+]Cc1cccs1)C1CCCCC1 ZINC000095991100 185058307 /nfs/dbraw/zinc/05/83/07/185058307.db2.gz CTPMGVMFSSTQDT-ZDUSSCGKSA-N 1 0 266.410 2.662 50 0 CFAARO O=C(OCc1ccc2c(c1)COC2)c1ccn2c[nH+]cc2c1 ZINC000097032502 185156252 /nfs/dbraw/zinc/15/62/52/185156252.db2.gz ICPOCYCRJDMPKS-UHFFFAOYSA-N 1 0 294.310 2.722 50 0 CFAARO COCC1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000097033927 185156664 /nfs/dbraw/zinc/15/66/64/185156664.db2.gz FLGGFQPNEVQSSZ-UHFFFAOYSA-N 1 0 299.418 2.946 50 0 CFAARO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000097034416 185156794 /nfs/dbraw/zinc/15/67/94/185156794.db2.gz HXRUXADPZHKBFF-AWEZNQCLSA-N 1 0 278.371 2.707 50 0 CFAARO Cn1cccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000097035068 185157255 /nfs/dbraw/zinc/15/72/55/185157255.db2.gz DVNASVBIHIUCCY-CVEARBPZSA-N 1 0 292.329 2.923 50 0 CFAARO CCc1nn(C)cc1C[N@H+](C)[C@H]1CCC[C@@H]1SC ZINC000097033990 185157743 /nfs/dbraw/zinc/15/77/43/185157743.db2.gz DLQIWNAQSVXMJU-KBPBESRZSA-N 1 0 267.442 2.698 50 0 CFAARO Cc1ncc([C@@H](C)NC[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC000090854110 282164138 /nfs/dbraw/zinc/16/41/38/282164138.db2.gz XKOGTNTUUIJEJI-CJNGLKHVSA-N 1 0 290.455 2.864 50 0 CFAARO CC[C@@H](C)[C@H](C)[NH2+]CCC1CCN(C(C)=O)CC1 ZINC000096479235 529413563 /nfs/dbraw/zinc/41/35/63/529413563.db2.gz MJEHUZBEUSBKCA-OLZOCXBDSA-N 1 0 254.418 2.659 50 0 CFAARO CCC[NH+]1CCC(OC(=O)/C=C/c2ccco2)CC1 ZINC000069921383 346903587 /nfs/dbraw/zinc/90/35/87/346903587.db2.gz JOQNAPYYWWNPCM-AATRIKPKSA-N 1 0 263.337 2.710 50 0 CFAARO Cc1cc(C)cc([C@@H]2CC[N@H+](CCC3OCCO3)C2)c1 ZINC000126805948 187263337 /nfs/dbraw/zinc/26/33/37/187263337.db2.gz WPKIYEMDDRKFMG-OAHLLOKOSA-N 1 0 275.392 2.856 50 0 CFAARO C[N@H+](C[C@H]1CCCCO1)[C@@H](CCO)c1ccccc1 ZINC000096441584 529963451 /nfs/dbraw/zinc/96/34/51/529963451.db2.gz GFANMBXRTJCASX-CVEARBPZSA-N 1 0 263.381 2.611 50 0 CFAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CCCO1 ZINC000075093164 347054286 /nfs/dbraw/zinc/05/42/86/347054286.db2.gz YTXKYKPTAMTDPF-DOMZBBRYSA-N 1 0 271.364 2.734 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCc2c1cnn2C(C)(C)C ZINC000075584115 347085376 /nfs/dbraw/zinc/08/53/76/347085376.db2.gz CKOIRSFKNMUJQQ-AWEZNQCLSA-N 1 0 287.411 2.837 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000097048982 185515434 /nfs/dbraw/zinc/51/54/34/185515434.db2.gz DRXSFCXBBDWFOS-OLZOCXBDSA-N 1 0 273.384 2.536 50 0 CFAARO Cc1noc(C)c1C[NH+]1CCC(OC(C)C)CC1 ZINC000075607046 347086290 /nfs/dbraw/zinc/08/62/90/347086290.db2.gz WKONLXVTASNDMU-UHFFFAOYSA-N 1 0 252.358 2.681 50 0 CFAARO COCCC[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000097159795 185551474 /nfs/dbraw/zinc/55/14/74/185551474.db2.gz YECAKKOUIDJMBV-UHFFFAOYSA-N 1 0 285.347 2.949 50 0 CFAARO Cc1cc(N2CCN(c3ccc(Cl)cn3)CC2)cc[nH+]1 ZINC000095505672 136517573 /nfs/dbraw/zinc/51/75/73/136517573.db2.gz KKXMYHQONXTMSO-UHFFFAOYSA-N 1 0 288.782 2.765 50 0 CFAARO CC(C)=CCC[C@H](C)CC[NH+](C[C@H](C)O)C[C@H](C)O ZINC000002497406 346207039 /nfs/dbraw/zinc/20/70/39/346207039.db2.gz HIJOMHQVKSILEM-JYJNAYRXSA-N 1 0 271.445 2.823 50 0 CFAARO CC(C)=CCC[C@H](C)CC[NH+](C[C@@H](C)O)C[C@@H](C)O ZINC000002497401 346207299 /nfs/dbraw/zinc/20/72/99/346207299.db2.gz HIJOMHQVKSILEM-ARFHVFGLSA-N 1 0 271.445 2.823 50 0 CFAARO Cc1ccc(-n2ccc3[nH+]c4c(c(N)c3c2=O)CCC4)cc1 ZINC000004007350 346209523 /nfs/dbraw/zinc/20/95/23/346209523.db2.gz STQYEPQJZWCESQ-UHFFFAOYSA-N 1 0 291.354 2.765 50 0 CFAARO COc1ccc2[nH]cc([C@@H](O)C[N@@H+]3CCC[C@H](C)C3)c2c1 ZINC000005164687 346211197 /nfs/dbraw/zinc/21/11/97/346211197.db2.gz NPLPQYZRGWDEBQ-SJCJKPOMSA-N 1 0 288.391 2.942 50 0 CFAARO C=CCOC(=O)C=C(C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012378705 346231447 /nfs/dbraw/zinc/23/14/47/346231447.db2.gz FUXWIFGUPXLTTF-FMIVXFBMSA-N 1 0 280.412 2.518 50 0 CFAARO Cc1cc(CN2CCC[N@@H+](C)CC2)c2ccccc2n1 ZINC000020538465 346245086 /nfs/dbraw/zinc/24/50/86/346245086.db2.gz VESNHBIITGDFJF-UHFFFAOYSA-N 1 0 269.392 2.681 50 0 CFAARO Cc1cccc(OC[C@H](O)C[NH2+]CCCc2ccccc2)c1 ZINC000034031830 346314194 /nfs/dbraw/zinc/31/41/94/346314194.db2.gz HEGFPYTUYMSACT-GOSISDBHSA-N 1 0 299.414 2.957 50 0 CFAARO COc1ccc(C2(CC[NH+](C)C)CCOCC2)cc1OC ZINC000034305137 346315743 /nfs/dbraw/zinc/31/57/43/346315743.db2.gz VQKFGCNQYDPKPK-UHFFFAOYSA-N 1 0 293.407 2.704 50 0 CFAARO Cc1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)s1 ZINC000128405733 187368392 /nfs/dbraw/zinc/36/83/92/187368392.db2.gz AHQIDETWPJPZQR-LBPRGKRZSA-N 1 0 261.394 2.780 50 0 CFAARO CCC(CC)(CO)[NH2+]Cc1ccn(-c2cccc(F)c2)n1 ZINC000076040638 347116029 /nfs/dbraw/zinc/11/60/29/347116029.db2.gz XZOOQUSVGPIFEV-UHFFFAOYSA-N 1 0 291.370 2.652 50 0 CFAARO CC(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000076057452 347116960 /nfs/dbraw/zinc/11/69/60/347116960.db2.gz XFWVNZWFMLNEFS-DGCLKSJQSA-N 1 0 298.814 2.916 50 0 CFAARO CC[C@H]1[C@H](c2ccc(C)cc2)CC[N@@H+]1CCS(C)(=O)=O ZINC000076109597 347120319 /nfs/dbraw/zinc/12/03/19/347120319.db2.gz IWYKNTXKYRUWQT-HOTGVXAUSA-N 1 0 295.448 2.608 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000089937620 347533019 /nfs/dbraw/zinc/53/30/19/347533019.db2.gz FETYDQSHNXRJNQ-WBMJQRKESA-N 1 0 285.391 2.514 50 0 CFAARO O=C1c2ccccc2OC[C@H]1C[NH2+]CCc1ccccc1 ZINC000096026782 347700341 /nfs/dbraw/zinc/70/03/41/347700341.db2.gz AXYNWRXSIUOJMQ-OAHLLOKOSA-N 1 0 281.355 2.710 50 0 CFAARO CCCSc1ccccc1N1CC[NH+](CCCO)CC1 ZINC000096026609 347700461 /nfs/dbraw/zinc/70/04/61/347700461.db2.gz ZTVFONJHTRFAIL-UHFFFAOYSA-N 1 0 294.464 2.693 50 0 CFAARO C[NH2+][C@@]1(c2ccccc2Cl)CCC[C@@H]1C(=O)OC ZINC000096027566 347700509 /nfs/dbraw/zinc/70/05/09/347700509.db2.gz OQSFGKKBEFIAOR-BXUZGUMPSA-N 1 0 267.756 2.728 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](c1cnn(C)c1)N(C)C ZINC000097098914 347706896 /nfs/dbraw/zinc/70/68/96/347706896.db2.gz XQXOHRNEXWTKJB-UAGQMJEPSA-N 1 0 290.455 2.605 50 0 CFAARO Cc1csc(CN(C)CCC[NH+]2CCCCC2)n1 ZINC000097103401 347707178 /nfs/dbraw/zinc/70/71/78/347707178.db2.gz XYQQECSBNGUZCQ-UHFFFAOYSA-N 1 0 267.442 2.759 50 0 CFAARO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccncc1 ZINC000097230503 347707681 /nfs/dbraw/zinc/70/76/81/347707681.db2.gz MLRHPNGULYVWEX-KSSFIOAISA-N 1 0 282.387 2.956 50 0 CFAARO Cn1ccnc1CC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000097238033 347708399 /nfs/dbraw/zinc/70/83/99/347708399.db2.gz MLLKSAZOUKZJEZ-CQSZACIVSA-N 1 0 289.354 2.605 50 0 CFAARO CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CCCSC2)c1 ZINC000097370991 347708570 /nfs/dbraw/zinc/70/85/70/347708570.db2.gz KYOYWRBTRPIQBE-CQSZACIVSA-N 1 0 294.420 2.509 50 0 CFAARO Cc1cccc([C@@H](O)C[NH2+][C@H]2CCCSC2)c1 ZINC000097370974 347708693 /nfs/dbraw/zinc/70/86/93/347708693.db2.gz AUMRBVHWBZDACR-KBPBESRZSA-N 1 0 251.395 2.514 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)CCOCC1 ZINC000097373448 347709157 /nfs/dbraw/zinc/70/91/57/347709157.db2.gz TVMKBKBNVNWSCN-MGPQQGTHSA-N 1 0 255.402 2.596 50 0 CFAARO COc1ccc(C)c(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)c1 ZINC000097376420 347709648 /nfs/dbraw/zinc/70/96/48/347709648.db2.gz WYNPLFFJDIRJCS-INIZCTEOSA-N 1 0 288.391 2.817 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000124626528 347825216 /nfs/dbraw/zinc/82/52/16/347825216.db2.gz HECOFLBZNUJJST-QWRGUYRKSA-N 1 0 290.333 2.817 50 0 CFAARO Cc1ccccc1C1CC([NH2+][C@H](C)CCS(C)(=O)=O)C1 ZINC000127857527 347844756 /nfs/dbraw/zinc/84/47/56/347844756.db2.gz BQZWKHUKEVIZSY-WLYUNCDWSA-N 1 0 295.448 2.654 50 0 CFAARO COc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1Cl ZINC000086595836 179310943 /nfs/dbraw/zinc/31/09/43/179310943.db2.gz MJPBHRBRHMMATH-GHMZBOCLSA-N 1 0 268.788 2.531 50 0 CFAARO C[C@H]1CCCC[C@H]1OCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000155241447 347985969 /nfs/dbraw/zinc/98/59/69/347985969.db2.gz MUNGMBFBZHIUFL-GOEBONIOSA-N 1 0 297.439 2.857 50 0 CFAARO CC(=O)N1CCC([C@@H]2CC[N@H+](Cc3cccs3)C2)CC1 ZINC000169783913 348052692 /nfs/dbraw/zinc/05/26/92/348052692.db2.gz YAIOOLPJBOULCJ-OAHLLOKOSA-N 1 0 292.448 2.829 50 0 CFAARO CNC(=O)CC1CC[NH+](C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000170604349 348055618 /nfs/dbraw/zinc/05/56/18/348055618.db2.gz XFFCTUFNVLGGLL-HOCLYGCPSA-N 1 0 278.440 2.827 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000170604355 348055810 /nfs/dbraw/zinc/05/58/10/348055810.db2.gz IXDURIQYAZEGOS-XYSPPFBYSA-N 1 0 269.454 2.822 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCn2ncnc21 ZINC000170604375 348056087 /nfs/dbraw/zinc/05/60/87/348056087.db2.gz PDMKGYBQJWLPHY-MELADBBJSA-N 1 0 260.385 2.695 50 0 CFAARO CC[NH+]1CCN(c2cccc(NCc3cc[nH]c3)c2)CC1 ZINC000170608682 348056888 /nfs/dbraw/zinc/05/68/88/348056888.db2.gz ATQVBGKUMCBYSQ-UHFFFAOYSA-N 1 0 284.407 2.769 50 0 CFAARO CC[C@H](C)C[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000170659234 348058417 /nfs/dbraw/zinc/05/84/17/348058417.db2.gz RPQMABYFLGFNOE-HNNXBMFYSA-N 1 0 276.424 2.859 50 0 CFAARO CC(C)(C)OC(=O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC000170639913 348058476 /nfs/dbraw/zinc/05/84/76/348058476.db2.gz JSLNOUQNHWCMSB-UHFFFAOYSA-N 1 0 253.386 2.984 50 0 CFAARO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000195554956 348146265 /nfs/dbraw/zinc/14/62/65/348146265.db2.gz RWKNUMWYTDIIEU-VIFPVBQESA-N 1 0 284.762 2.656 50 0 CFAARO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000195570208 348146896 /nfs/dbraw/zinc/14/68/96/348146896.db2.gz JJNAFXLXBQRMFO-IUCAKERBSA-N 1 0 294.342 2.803 50 0 CFAARO COc1cccc(OCC[NH2+][C@H]2CCS[C@@H]2C)c1 ZINC000195573173 348147357 /nfs/dbraw/zinc/14/73/57/348147357.db2.gz IEVQCVNYZLAGPE-RISCZKNCSA-N 1 0 267.394 2.558 50 0 CFAARO OC[C@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000225531642 348178558 /nfs/dbraw/zinc/17/85/58/348178558.db2.gz IFPXGUMNGVUYPA-GJZGRUSLSA-N 1 0 299.798 2.506 50 0 CFAARO NCC(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000220670882 348170604 /nfs/dbraw/zinc/17/06/04/348170604.db2.gz FHXQCPHSXTVXQP-UHFFFAOYSA-N 1 0 260.593 2.804 50 0 CFAARO C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)[S@](C)=O ZINC000230470083 348206033 /nfs/dbraw/zinc/20/60/33/348206033.db2.gz HXSVPSZVPPTQOA-HHEAZKOWSA-N 1 0 279.449 2.925 50 0 CFAARO CN(Cc1cnc(-c2ccccc2)s1)[C@H]1CC[N@H+](C)C1 ZINC000230506748 348206048 /nfs/dbraw/zinc/20/60/48/348206048.db2.gz HMWWZBHSSBOAOX-AWEZNQCLSA-N 1 0 287.432 2.946 50 0 CFAARO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cnn(C)c1 ZINC000255169209 348303020 /nfs/dbraw/zinc/30/30/20/348303020.db2.gz IPQJNMWYLZLLFA-ZROIWOOFSA-N 1 0 255.365 2.955 50 0 CFAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)c2cnccc2C)CC1 ZINC000409421039 348600783 /nfs/dbraw/zinc/60/07/83/348600783.db2.gz OFOWDIVHLMIKEP-UHFFFAOYSA-N 1 0 298.390 2.681 50 0 CFAARO Cc1nc2c([nH]1)C[N@H+](C/C=C/c1ccc(F)cc1)CC2 ZINC000584884929 348726447 /nfs/dbraw/zinc/72/64/47/348726447.db2.gz MVKBIISKVGVRAT-NSCUHMNNSA-N 1 0 271.339 2.929 50 0 CFAARO C[NH+]1CCC(N[C@H](c2ccncc2)c2ccc(F)cc2)CC1 ZINC000584890072 348728191 /nfs/dbraw/zinc/72/81/91/348728191.db2.gz VNEFGHJJTOVWOO-SFHVURJKSA-N 1 0 299.393 2.994 50 0 CFAARO CC[NH+](CC)CC1(n2cnc3cc(C)ccc3c2=O)CC1 ZINC000584892394 348729099 /nfs/dbraw/zinc/72/90/99/348729099.db2.gz HUHBPJVQILQGIZ-UHFFFAOYSA-N 1 0 285.391 2.536 50 0 CFAARO Clc1ccc2[nH]c(CCC[NH2+][C@@H]3CCCOC3)nc2c1 ZINC000584894378 348730459 /nfs/dbraw/zinc/73/04/59/348730459.db2.gz FMZJJSFOKYVUOX-GFCCVEGCSA-N 1 0 293.798 2.918 50 0 CFAARO CC(C)(C[NH2+][C@@H]1CCN(c2ccccc2)C1)N1CCCC1 ZINC000584897470 348731183 /nfs/dbraw/zinc/73/11/83/348731183.db2.gz SQKJAEDBVFWFDY-MRXNPFEDSA-N 1 0 287.451 2.729 50 0 CFAARO Cc1cc(CNC(=O)[C@H](C)[N@H+](C)C2CCCCC2)ccn1 ZINC000584900932 348732847 /nfs/dbraw/zinc/73/28/47/348732847.db2.gz OHIUAMRZFSITCT-AWEZNQCLSA-N 1 0 289.423 2.659 50 0 CFAARO CCCOC1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000584904633 348733740 /nfs/dbraw/zinc/73/37/40/348733740.db2.gz SWSSDVBQQMTKOS-MRXNPFEDSA-N 1 0 262.397 2.577 50 0 CFAARO C[C@H]([NH2+]Cc1noc2c1CCCC2)[C@H]1CCCCO1 ZINC000585136532 348736267 /nfs/dbraw/zinc/73/62/67/348736267.db2.gz JQOAHWLBYYBEFP-SMDDNHRTSA-N 1 0 264.369 2.601 50 0 CFAARO Cc1cc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)on1 ZINC000585141133 348736978 /nfs/dbraw/zinc/73/69/78/348736978.db2.gz PWGODAIMGVQGOB-UHFFFAOYSA-N 1 0 299.418 2.910 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]Cc2scnc2C)cn1 ZINC000414125456 233173541 /nfs/dbraw/zinc/17/35/41/233173541.db2.gz QGUPNLDEJONYSB-SNVBAGLBSA-N 1 0 277.393 2.576 50 0 CFAARO CC(C)[C@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000089595168 179826607 /nfs/dbraw/zinc/82/66/07/179826607.db2.gz YMYWUIVEHVXWEQ-HNNXBMFYSA-N 1 0 268.445 2.656 50 0 CFAARO O=C(Nc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000089845661 179873097 /nfs/dbraw/zinc/87/30/97/179873097.db2.gz OENVISWBWPFZOV-OAHLLOKOSA-N 1 0 273.380 2.779 50 0 CFAARO C[C@H]([NH2+]CCC1Cc2ccccc2C1)c1cnccn1 ZINC000090853862 180047262 /nfs/dbraw/zinc/04/72/62/180047262.db2.gz GPJYUMIRKYSZFE-ZDUSSCGKSA-N 1 0 267.376 2.932 50 0 CFAARO C[NH+](C)CC[C@@H](Nc1ncccn1)c1ccccc1 ZINC000091320221 180133839 /nfs/dbraw/zinc/13/38/39/180133839.db2.gz CDALCMBXPRSFQR-CQSZACIVSA-N 1 0 256.353 2.582 50 0 CFAARO C[C@@H](CO)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091349038 180137173 /nfs/dbraw/zinc/13/71/73/180137173.db2.gz YWZBTMJOSSVMES-TVQRCGJNSA-N 1 0 284.197 2.871 50 0 CFAARO CCCc1cncnc1N1C[C@H]2CC[C@H](C[N@H+]2CCC)C1 ZINC000091562973 180192723 /nfs/dbraw/zinc/19/27/23/180192723.db2.gz FTZXJQZNNLSZAQ-GDBMZVCRSA-N 1 0 288.439 2.740 50 0 CFAARO CCN1C[C@@H](C[N@H+](C)C[C@H](C)c2ccccc2)CC1=O ZINC000105112618 186041808 /nfs/dbraw/zinc/04/18/08/186041808.db2.gz LYWFJQXOQYQPTH-LSDHHAIUSA-N 1 0 274.408 2.590 50 0 CFAARO COCc1cc(NCCCC[NH+]2CCCCCC2)ncn1 ZINC000091575227 180197315 /nfs/dbraw/zinc/19/73/15/180197315.db2.gz FYCCBDQNPFCDEY-UHFFFAOYSA-N 1 0 292.427 2.691 50 0 CFAARO COCC[C@@]1(CO)CCC[N@H+](CCCc2ccccc2)C1 ZINC000091625020 180209697 /nfs/dbraw/zinc/20/96/97/180209697.db2.gz YIXCLBXWAJBQMV-SFHVURJKSA-N 1 0 291.435 2.730 50 0 CFAARO CCC[C@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@@H]1[NH3+] ZINC000091665180 180221251 /nfs/dbraw/zinc/22/12/51/180221251.db2.gz CJQAEPLCLMFOEQ-GWCFXTLKSA-N 1 0 284.762 2.679 50 0 CFAARO c1ccc(C[N@H+]2CCC[C@H](CNc3ccncn3)C2)cc1 ZINC000091680111 180226251 /nfs/dbraw/zinc/22/62/51/180226251.db2.gz SJEXHLOBZMBODV-MRXNPFEDSA-N 1 0 282.391 2.801 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC(C)CC2)C1 ZINC000092101857 180325718 /nfs/dbraw/zinc/32/57/18/180325718.db2.gz MGOXGWUJKATRED-BCLQGDPASA-N 1 0 266.429 2.613 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000092195372 180341956 /nfs/dbraw/zinc/34/19/56/180341956.db2.gz POOWIHJNMVMCGY-YPMHNXCESA-N 1 0 288.322 2.711 50 0 CFAARO C1=CC[C@@H](C[N@@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC000106969230 186154757 /nfs/dbraw/zinc/15/47/57/186154757.db2.gz GGTOXXREXJINNM-QGZVFWFLSA-N 1 0 285.435 2.946 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000107058457 186157662 /nfs/dbraw/zinc/15/76/62/186157662.db2.gz QSVIODOJYUXPLV-LZWOXQAQSA-N 1 0 274.408 2.984 50 0 CFAARO CCc1cc(C[NH2+][C@@H]2CCN([C@H](C)c3ccccc3)C2)[nH]n1 ZINC000107068707 186159318 /nfs/dbraw/zinc/15/93/18/186159318.db2.gz MUXRBSDRRBQCPV-RHSMWYFYSA-N 1 0 298.434 2.897 50 0 CFAARO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2)C1 ZINC000110641703 186309293 /nfs/dbraw/zinc/30/92/93/186309293.db2.gz KYGBQECUITXZHO-ZIAGYGMSSA-N 1 0 278.421 2.841 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c(Cl)c1OC ZINC000110823032 186327837 /nfs/dbraw/zinc/32/78/37/186327837.db2.gz OOTZMUBUJFVREM-RYUDHWBXSA-N 1 0 299.798 2.750 50 0 CFAARO Cc1noc(C)c1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000122169702 187018964 /nfs/dbraw/zinc/01/89/64/187018964.db2.gz OQEPJQZUIAJTNH-XHSDSOJGSA-N 1 0 290.407 2.771 50 0 CFAARO CCc1ccc(Cn2nc(C)nc2[C@]2(C)CCC[NH2+]2)cc1 ZINC000823517664 781929293 /nfs/dbraw/zinc/92/92/93/781929293.db2.gz WYQREDMRZNWJAR-KRWDZBQOSA-N 1 0 284.407 2.796 50 0 CFAARO Fc1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000038580874 282989006 /nfs/dbraw/zinc/98/90/06/282989006.db2.gz PNRXVTVLQJODIK-UHFFFAOYSA-N 1 0 274.133 2.719 50 0 CFAARO CC[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(C)cn1 ZINC000222233300 539990787 /nfs/dbraw/zinc/99/07/87/539990787.db2.gz VWJVLBHVAWGCBB-HNNXBMFYSA-N 1 0 289.423 2.833 50 0 CFAARO COc1ccc(OCCC[N@H+](C)CC2CCOCC2)cc1 ZINC000155810258 188228780 /nfs/dbraw/zinc/22/87/80/188228780.db2.gz BAAAGDNPDQXJOU-UHFFFAOYSA-N 1 0 293.407 2.823 50 0 CFAARO COc1cc(F)cc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000157008932 188292724 /nfs/dbraw/zinc/29/27/24/188292724.db2.gz SGSVNKOLSQZTGX-UHFFFAOYSA-N 1 0 295.354 2.610 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157743285 188336321 /nfs/dbraw/zinc/33/63/21/188336321.db2.gz UOWXMYFOEYYYGP-LBPRGKRZSA-N 1 0 296.798 2.691 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000158914022 188399740 /nfs/dbraw/zinc/39/97/40/188399740.db2.gz YNVORQFCQSCTQT-HOTGVXAUSA-N 1 0 288.435 2.947 50 0 CFAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000685939766 540020908 /nfs/dbraw/zinc/02/09/08/540020908.db2.gz YNFCDEDDAJWDDE-MEBFFEOJSA-N 1 0 267.438 2.818 50 0 CFAARO COc1ccc(C[N@H+](C)CC2(C)COC2)c(Cl)c1OC ZINC000628423176 354583573 /nfs/dbraw/zinc/58/35/73/354583573.db2.gz GUXAEPGYIPARTI-UHFFFAOYSA-N 1 0 299.798 2.826 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000078316822 540156465 /nfs/dbraw/zinc/15/64/65/540156465.db2.gz FUSCLSLEFKWWKU-IYBDPMFKSA-N 1 0 295.471 2.938 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246984535 540189382 /nfs/dbraw/zinc/18/93/82/540189382.db2.gz MAZDZRYBPOFSBI-NJAFHUGGSA-N 1 0 298.430 2.795 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)o2)[C@@H](CC)C1 ZINC000084736333 540207486 /nfs/dbraw/zinc/20/74/86/540207486.db2.gz RIZZRTHYLDTODB-ZFWWWQNUSA-N 1 0 278.396 2.715 50 0 CFAARO N=C1Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N1C(N)=[NH2+] ZINC000095630018 283262323 /nfs/dbraw/zinc/26/23/23/283262323.db2.gz SCPRECBHQADPBM-CYBMUJFWSA-N 1 0 299.765 2.985 50 0 CFAARO NC(=O)C1([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000193312772 283281932 /nfs/dbraw/zinc/28/19/32/283281932.db2.gz IHLKSVOWRJGFGR-UHFFFAOYSA-N 1 0 287.190 2.534 50 0 CFAARO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)CC2CCOCC2)c1 ZINC000090519722 540364329 /nfs/dbraw/zinc/36/43/29/540364329.db2.gz RNOUXGPFYUBUCH-YOEHRIQHSA-N 1 0 277.408 2.823 50 0 CFAARO c1ccc2c(c1)CC[C@@H]([NH2+]CCC1=CCOCC1)C2 ZINC000090808428 540379739 /nfs/dbraw/zinc/37/97/39/540379739.db2.gz ZYFGZRGDIGQRHS-QGZVFWFLSA-N 1 0 257.377 2.870 50 0 CFAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)C1CCC1 ZINC000090856013 540381773 /nfs/dbraw/zinc/38/17/73/540381773.db2.gz ZYPUVNDMQHPHAO-KGLIPLIRSA-N 1 0 266.429 2.946 50 0 CFAARO C[N@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)CO ZINC000294738173 199160449 /nfs/dbraw/zinc/16/04/49/199160449.db2.gz GYLFXGTULMOPEN-SNAWJCMRSA-N 1 0 251.345 2.789 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(F)cc2F)N1 ZINC000007128049 283409709 /nfs/dbraw/zinc/40/97/09/283409709.db2.gz DUDUKPJLIMPEGF-CYBMUJFWSA-N 1 0 299.284 2.602 50 0 CFAARO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000177741760 189066902 /nfs/dbraw/zinc/06/69/02/189066902.db2.gz VUULXVYUDRWFAC-ZDUSSCGKSA-N 1 0 278.783 2.569 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@H](C)C1 ZINC000095423712 540724266 /nfs/dbraw/zinc/72/42/66/540724266.db2.gz IBGIZIKJCKURKZ-AVGNSLFASA-N 1 0 262.401 2.844 50 0 CFAARO C[C@H]1OCC[C@@H]1[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000095991482 540726716 /nfs/dbraw/zinc/72/67/16/540726716.db2.gz HTWLCHYMKNHREK-RNCFNFMXSA-N 1 0 255.308 2.967 50 0 CFAARO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000223858556 540722104 /nfs/dbraw/zinc/72/21/04/540722104.db2.gz OYXYHSTZPNAVOP-NWANDNLSSA-N 1 0 261.365 2.651 50 0 CFAARO c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@@H]2CC=CC[C@H]2C1 ZINC000093590800 540723362 /nfs/dbraw/zinc/72/33/62/540723362.db2.gz ZRUIAJUSVBZHRI-GJZGRUSLSA-N 1 0 280.375 2.870 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(\C)c2ccc(F)cc2)C1 ZINC000178339106 189108915 /nfs/dbraw/zinc/10/89/15/189108915.db2.gz VSDBKUJTSXBLAK-UELRPHRMSA-N 1 0 290.382 2.687 50 0 CFAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179468489 189196384 /nfs/dbraw/zinc/19/63/84/189196384.db2.gz DJMLQVGAYZIVRL-VQRJYJFOSA-N 1 0 286.354 2.768 50 0 CFAARO C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3ccc4cccc(F)c4n3)C[C@H]21 ZINC000670460092 541002531 /nfs/dbraw/zinc/00/25/31/541002531.db2.gz VNFLJYFIAGJNTK-PHZGNYQRSA-N 1 0 299.393 2.613 50 0 CFAARO CC1(C)C[C@@H](O)CC[N@H+](Cc2cnccc2Cl)C1 ZINC000670444884 540997540 /nfs/dbraw/zinc/99/75/40/540997540.db2.gz XELXTHIUMQIIKG-LBPRGKRZSA-N 1 0 268.788 2.718 50 0 CFAARO CCCOC[C@H]1CCN(Cc2noc(CC(C)C)n2)C1 ZINC000670459771 541002629 /nfs/dbraw/zinc/00/26/29/541002629.db2.gz YDTRSXJVJIFMND-ZDUSSCGKSA-N 1 0 281.400 2.517 50 0 CFAARO CO[C@H]1CC[N@@H+](C2CCN(c3cccc(C)c3C)CC2)C1 ZINC000670452749 541000426 /nfs/dbraw/zinc/00/04/26/541000426.db2.gz WJQFHMKUOHLAKP-KRWDZBQOSA-N 1 0 288.435 2.993 50 0 CFAARO C[C@@H](Cc1ccco1)NCC[NH2+][C@@H](C)Cc1ccco1 ZINC000670419697 540986150 /nfs/dbraw/zinc/98/61/50/540986150.db2.gz SPMDNYXDURKJLL-KBPBESRZSA-N 1 0 276.380 2.614 50 0 CFAARO Cc1cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465617 541006342 /nfs/dbraw/zinc/00/63/42/541006342.db2.gz BGWQSJBQQQSXHU-QGZVFWFLSA-N 1 0 298.434 2.672 50 0 CFAARO C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCOC1 ZINC000182443963 189323889 /nfs/dbraw/zinc/32/38/89/189323889.db2.gz KGRROJASMWHASZ-INIZCTEOSA-N 1 0 263.381 2.562 50 0 CFAARO CCn1cc(C2CC[NH+]([C@@H](C)c3cnccn3)CC2)cn1 ZINC000184495199 189387748 /nfs/dbraw/zinc/38/77/48/189387748.db2.gz ILZPRYJXYDOMJN-ZDUSSCGKSA-N 1 0 285.395 2.634 50 0 CFAARO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)on1 ZINC000184557463 189389224 /nfs/dbraw/zinc/38/92/24/189389224.db2.gz TZLKWKBHQHXVSS-OLZOCXBDSA-N 1 0 295.383 2.518 50 0 CFAARO FC(F)Oc1ccccc1CC[NH2+][C@@H]1CCCOC1 ZINC000188725835 189511257 /nfs/dbraw/zinc/51/12/57/189511257.db2.gz SGJCBPLOOAAQCO-GFCCVEGCSA-N 1 0 271.307 2.599 50 0 CFAARO O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077298896 283813574 /nfs/dbraw/zinc/81/35/74/283813574.db2.gz MCQVQGKCCQIVAO-MRXNPFEDSA-N 1 0 290.382 2.975 50 0 CFAARO CCCc1ccc(CN2CC([NH+]3CCCCC3)C2)o1 ZINC000215541334 189695481 /nfs/dbraw/zinc/69/54/81/189695481.db2.gz AVWUPTDFNLQAFG-UHFFFAOYSA-N 1 0 262.397 2.902 50 0 CFAARO CCCc1ccc(CN2CC[NH+](C3CCOCC3)CC2)o1 ZINC000216391296 189703752 /nfs/dbraw/zinc/70/37/52/189703752.db2.gz KJRCFGNIQPMLNG-UHFFFAOYSA-N 1 0 292.423 2.529 50 0 CFAARO COCC[C@@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000268021988 541667242 /nfs/dbraw/zinc/66/72/42/541667242.db2.gz VZMDESVWMYINJL-OAHLLOKOSA-N 1 0 262.397 2.624 50 0 CFAARO O[C@@H](CN1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000229897037 189802848 /nfs/dbraw/zinc/80/28/48/189802848.db2.gz UKKHXZPANGNSCE-MSOLQXFVSA-N 1 0 288.435 2.670 50 0 CFAARO COc1cccc(C[N@H+](C)CCc2ccccn2)c1OC ZINC000000200555 371555880 /nfs/dbraw/zinc/55/58/80/371555880.db2.gz MGYKYUIHCFUAIJ-UHFFFAOYSA-N 1 0 286.375 2.773 50 0 CFAARO c1ccc(CCC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000000025902 371509037 /nfs/dbraw/zinc/50/90/37/371509037.db2.gz QCVDHRLSVUSYNT-UHFFFAOYSA-N 1 0 281.403 2.836 50 0 CFAARO CC[NH+](CC)CCc1c(C)c2ccc(O)cc2oc1=O ZINC000000032923 371512691 /nfs/dbraw/zinc/51/26/91/371512691.db2.gz KKSGOOJPXBUJIA-UHFFFAOYSA-N 1 0 275.348 2.691 50 0 CFAARO Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=[NH+]CCN1 ZINC000000057435 371518883 /nfs/dbraw/zinc/51/88/83/371518883.db2.gz WYWIFABBXFUGLM-UHFFFAOYSA-N 1 0 260.381 2.851 50 0 fda CFAARO C[N@H+](CCc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000000213399 371558453 /nfs/dbraw/zinc/55/84/53/371558453.db2.gz FQAPRQPZGXEXHX-QGZVFWFLSA-N 1 0 255.361 2.895 50 0 CFAARO COc1ccccc1C[NH2+]Cc1ccccc1OC ZINC000000172207 371548505 /nfs/dbraw/zinc/54/85/05/371548505.db2.gz PQSLWOQLGHFZNG-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO CCC(=O)Nc1nc2ccccc2n1CC[NH+](CC)CC ZINC000000186881 371552804 /nfs/dbraw/zinc/55/28/04/371552804.db2.gz ILDRFQKSQUNNNO-UHFFFAOYSA-N 1 0 288.395 2.727 50 0 CFAARO OC[C@H]1CCCC[N@@H+]1Cc1ccccc1Br ZINC000000211744 371559702 /nfs/dbraw/zinc/55/97/02/371559702.db2.gz LYEUTTLOUGQRTB-GFCCVEGCSA-N 1 0 284.197 2.796 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000238330 371564131 /nfs/dbraw/zinc/56/41/31/371564131.db2.gz AMKUTZRLOAXXMQ-ZDUSSCGKSA-N 1 0 265.328 2.601 50 0 CFAARO OC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000000238111 371565046 /nfs/dbraw/zinc/56/50/46/371565046.db2.gz FEJCVKGMBLBUQR-UHFFFAOYSA-N 1 0 259.271 2.662 50 0 CFAARO c1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000000237196 371565127 /nfs/dbraw/zinc/56/51/27/371565127.db2.gz SHTHGAITDSOQJU-UHFFFAOYSA-N 1 0 267.328 2.974 50 0 CFAARO C[C@H](O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)O ZINC000000278706 371575947 /nfs/dbraw/zinc/57/59/47/371575947.db2.gz XQRYACUWNGPPFZ-UWVGGRQHSA-N 1 0 292.206 2.557 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000278617 371576425 /nfs/dbraw/zinc/57/64/25/371576425.db2.gz CLFOEIXTCSWHRB-HNNXBMFYSA-N 1 0 261.365 2.504 50 0 CFAARO COc1ccccc1[C@@H](CC[NH3+])c1ccc2c(c1)OCO2 ZINC000000287376 371577858 /nfs/dbraw/zinc/57/78/58/371577858.db2.gz FHGHTNBXSCDDCP-ZDUSSCGKSA-N 1 0 285.343 2.905 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000000294396 371579656 /nfs/dbraw/zinc/57/96/56/371579656.db2.gz NJTNWIURFFHANU-HNNXBMFYSA-N 1 0 261.365 2.770 50 0 CFAARO C[N@H+](CCOC(=O)c1ccco1)Cc1ccccc1 ZINC000000315434 371585868 /nfs/dbraw/zinc/58/58/68/371585868.db2.gz GJJQKYCKPLVBRP-UHFFFAOYSA-N 1 0 259.305 2.568 50 0 CFAARO C[C@H]([NH3+])Cc1ccccc1[S@](=O)c1ccccc1 ZINC000000347806 371590788 /nfs/dbraw/zinc/59/07/88/371590788.db2.gz UKJQLHNCSHSGGK-SGTLLEGYSA-N 1 0 259.374 2.743 50 0 CFAARO C[N@@H+]1CCC[C@@H](OC(=O)c2cc3ccccc3o2)C1 ZINC000000375708 371598965 /nfs/dbraw/zinc/59/89/65/371598965.db2.gz NDXQYVAHQGOQKS-GFCCVEGCSA-N 1 0 259.305 2.684 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000001462612 371677363 /nfs/dbraw/zinc/67/73/63/371677363.db2.gz NQORPPOOEJKAEV-UXLLHSPISA-N 1 0 277.408 2.827 50 0 CFAARO COc1ccc(-c2noc(C[NH+]3CCC(C)CC3)n2)cc1 ZINC000000564313 371640554 /nfs/dbraw/zinc/64/05/54/371640554.db2.gz VFDMVDGKVSXFCY-UHFFFAOYSA-N 1 0 287.363 2.977 50 0 CFAARO CC[NH+]1CCC(NCc2ccccc2Cl)CC1 ZINC000000758078 371649352 /nfs/dbraw/zinc/64/93/52/371649352.db2.gz DSKMCJDMLRRYLF-UHFFFAOYSA-N 1 0 252.789 2.914 50 0 CFAARO COc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC2 ZINC000000895617 371653891 /nfs/dbraw/zinc/65/38/91/371653891.db2.gz BOKVLBSSPUTWLV-MRXNPFEDSA-N 1 0 299.370 2.878 50 0 biogenic,in-vitro CFAARO CCc1cc2c(ncnc2NCCC[NH+](C)C)s1 ZINC000001798006 371707099 /nfs/dbraw/zinc/70/70/99/371707099.db2.gz OGTYCYZRSNHQOY-UHFFFAOYSA-N 1 0 264.398 2.617 50 0 CFAARO COc1cc2cccnc2c(NCCC[C@H](C)[NH3+])c1 ZINC000001814403 371708019 /nfs/dbraw/zinc/70/80/19/371708019.db2.gz NBAFIBBHADOTMU-NSHDSACASA-N 1 0 259.353 2.783 50 0 in-man CFAARO CCCCOc1ccc(CSCCNC(N)=[NH2+])cc1 ZINC000001828807 371708941 /nfs/dbraw/zinc/70/89/41/371708941.db2.gz SHFWWBIGLMEJHF-UHFFFAOYSA-N 1 0 281.425 2.582 50 0 CFAARO Brc1ccc(CSC2=[NH+]CCN2)cc1 ZINC000001994451 371711301 /nfs/dbraw/zinc/71/13/01/371711301.db2.gz PGUAWLBBYSHSJV-UHFFFAOYSA-N 1 0 271.183 2.642 50 0 CFAARO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000002169559 371718444 /nfs/dbraw/zinc/71/84/44/371718444.db2.gz PHOIDJGLYWEUEK-CQSZACIVSA-N 1 0 276.380 2.786 50 0 CFAARO CC[NH+](CC)CCOC(=O)Nc1cc(OC)ccc1OC ZINC000002171809 371718899 /nfs/dbraw/zinc/71/88/99/371718899.db2.gz VWVGWOMFRRBNHP-UHFFFAOYSA-N 1 0 296.367 2.594 50 0 CFAARO CCCCOc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000002479780 371727295 /nfs/dbraw/zinc/72/72/95/371727295.db2.gz MJAKFSZMIISTDI-UHFFFAOYSA-N 1 0 263.381 2.822 50 0 CFAARO COc1ccc(C(C[NH3+])c2ccc(OC)cc2)cc1 ZINC000002526454 371733030 /nfs/dbraw/zinc/73/30/30/371733030.db2.gz VVTAUYUSSABNDB-UHFFFAOYSA-N 1 0 257.333 2.794 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000002527168 371733250 /nfs/dbraw/zinc/73/32/50/371733250.db2.gz MNMSQUBVXWZAPZ-UHFFFAOYSA-N 1 0 254.374 2.528 50 0 CFAARO Cc1ccccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000002545437 371734572 /nfs/dbraw/zinc/73/45/72/371734572.db2.gz BYUGLEDJVBZJND-CQSZACIVSA-N 1 0 254.333 2.504 50 0 CFAARO COCC[NH2+]CC(=O)Nc1ccccc1-c1ccccc1 ZINC000002655701 371744603 /nfs/dbraw/zinc/74/46/03/371744603.db2.gz YXVIRDDTLONCON-UHFFFAOYSA-N 1 0 284.359 2.528 50 0 CFAARO CC[NH+](CC)CCCNC(=O)c1ccc(Cl)cc1 ZINC000002745130 371750115 /nfs/dbraw/zinc/75/01/15/371750115.db2.gz LUAVKSCUFPXOFE-UHFFFAOYSA-N 1 0 268.788 2.802 50 0 CFAARO CC[NH2+]Cc1cc(OC)c(OCC)cc1Br ZINC000002862068 371758726 /nfs/dbraw/zinc/75/87/26/371758726.db2.gz DJWGBILGTIDSOU-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO Cc1ccc(OCCOCC[NH+]2CCCCC2)cc1 ZINC000002896681 371762482 /nfs/dbraw/zinc/76/24/82/371762482.db2.gz AZIJHWJUDFFORY-UHFFFAOYSA-N 1 0 263.381 2.876 50 0 CFAARO C[NH+](C)CCCOC(=O)c1ccc(Br)cc1 ZINC000002900633 371763291 /nfs/dbraw/zinc/76/32/91/371763291.db2.gz IKOGNKMWPNRVMX-UHFFFAOYSA-N 1 0 286.169 2.558 50 0 CFAARO CC[C@H](C)c1ccccc1OCC[NH2+]CCOC ZINC000003001236 371768402 /nfs/dbraw/zinc/76/84/02/371768402.db2.gz VKRAULQXRWUECJ-ZDUSSCGKSA-N 1 0 251.370 2.815 50 0 CFAARO CC[C@@H](C)c1ccccc1OCCC[NH2+]CCO ZINC000003001815 371768893 /nfs/dbraw/zinc/76/88/93/371768893.db2.gz OGVINUKNZFOOJM-CYBMUJFWSA-N 1 0 251.370 2.551 50 0 CFAARO COCC[NH2+]CCOc1cc(C(C)C)ccc1C ZINC000003003799 371769250 /nfs/dbraw/zinc/76/92/50/371769250.db2.gz DIKZOGIUOVSUHG-UHFFFAOYSA-N 1 0 251.370 2.733 50 0 CFAARO C[NH+](C)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000003205103 371778969 /nfs/dbraw/zinc/77/89/69/371778969.db2.gz KUKQZFGQLWNHAT-KRWDZBQOSA-N 1 0 285.387 2.715 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1ccc(F)cc1Br ZINC000003678393 371813967 /nfs/dbraw/zinc/81/39/67/371813967.db2.gz FXJRCUZTASRZFH-JTQLQIEISA-N 1 0 290.132 2.541 50 0 CFAARO CCC[NH+](CCC)C[C@@H](O)COc1ccccc1C(C)=O ZINC000004320471 371848741 /nfs/dbraw/zinc/84/87/41/371848741.db2.gz APHQCFMADGDLFK-OAHLLOKOSA-N 1 0 293.407 2.751 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1C ZINC000004305033 371849557 /nfs/dbraw/zinc/84/95/57/371849557.db2.gz XINALMWSNGYPFY-INIZCTEOSA-N 1 0 277.408 2.919 50 0 CFAARO O=C(c1ccccc1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000004312776 371849618 /nfs/dbraw/zinc/84/96/18/371849618.db2.gz HAKNHQBERYQVKI-UHFFFAOYSA-N 1 0 272.392 2.538 50 0 CFAARO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000004615295 371867541 /nfs/dbraw/zinc/86/75/41/371867541.db2.gz SLPYPYKUAHZCFK-BBRMVZONSA-N 1 0 294.354 2.669 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005442099 371883181 /nfs/dbraw/zinc/88/31/81/371883181.db2.gz HHDMTWMQSWWWQI-KLZNEWFBSA-N 1 0 281.440 2.578 50 0 CFAARO CC[NH2+]CC[C@H]1CCC(=O)N1Cc1ccccc1Cl ZINC000012034297 371942681 /nfs/dbraw/zinc/94/26/81/371942681.db2.gz HHZUAGDFJFRFHI-CYBMUJFWSA-N 1 0 280.799 2.831 50 0 CFAARO OCCOCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010436251 371908668 /nfs/dbraw/zinc/90/86/68/371908668.db2.gz BDDVYANVLVSZHE-UHFFFAOYSA-N 1 0 295.766 2.699 50 0 CFAARO CC[NH2+]Cc1cc(Br)cc(OC)c1OCC ZINC000010474733 371910195 /nfs/dbraw/zinc/91/01/95/371910195.db2.gz PUPRORURMDOSKS-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237393222 189874214 /nfs/dbraw/zinc/87/42/14/189874214.db2.gz BNDCUQWPAQAODP-MWQQHZPXSA-N 1 0 286.419 2.909 50 0 CFAARO CC(C)(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1F ZINC000012694810 371980995 /nfs/dbraw/zinc/98/09/95/371980995.db2.gz OIBXWWOINUGAAX-UHFFFAOYSA-N 1 0 258.724 2.806 50 0 CFAARO Cn1cc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cn1 ZINC000012708539 371981707 /nfs/dbraw/zinc/98/17/07/371981707.db2.gz OWOCDFIDFLBRSN-INIZCTEOSA-N 1 0 288.370 2.636 50 0 CFAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](C)C1 ZINC000012748084 371984174 /nfs/dbraw/zinc/98/41/74/371984174.db2.gz XIKJMADNYSRCRP-KRWDZBQOSA-N 1 0 291.391 2.513 50 0 CFAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](C)C1 ZINC000012748081 371984341 /nfs/dbraw/zinc/98/43/41/371984341.db2.gz XIKJMADNYSRCRP-QGZVFWFLSA-N 1 0 291.391 2.513 50 0 CFAARO CNC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000012333794 371953109 /nfs/dbraw/zinc/95/31/09/371953109.db2.gz GKRHPNOPWWKVOU-UHFFFAOYSA-N 1 0 282.387 2.798 50 0 CFAARO Clc1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1 ZINC000012374729 371955483 /nfs/dbraw/zinc/95/54/83/371955483.db2.gz YYNVMNWUAPQMNR-UHFFFAOYSA-N 1 0 279.796 2.873 50 0 CFAARO CCC[NH+]1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000013326648 372022788 /nfs/dbraw/zinc/02/27/88/372022788.db2.gz MKEVXOYKEFQZQX-UHFFFAOYSA-N 1 0 298.789 2.576 50 0 CFAARO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000014114334 372060497 /nfs/dbraw/zinc/06/04/97/372060497.db2.gz FRIBHSDJUDCGDP-UHFFFAOYSA-N 1 0 285.343 2.756 50 0 CFAARO COc1ccccc1[C@@H](CC(=O)NCC[NH+](C)C)C(C)C ZINC000013686220 372040824 /nfs/dbraw/zinc/04/08/24/372040824.db2.gz KOJTWCMZLMRZKK-HNNXBMFYSA-N 1 0 292.423 2.503 50 0 CFAARO OCCCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013727377 372045112 /nfs/dbraw/zinc/04/51/12/372045112.db2.gz ORSHBYDTANLFIE-UHFFFAOYSA-N 1 0 287.363 2.521 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1)c1ccsc1 ZINC000013011272 372010726 /nfs/dbraw/zinc/01/07/26/372010726.db2.gz NIIGIKKYIFRENN-AWEZNQCLSA-N 1 0 274.389 2.781 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2cc(C)cc(C)c2)CC1 ZINC000016580789 372112013 /nfs/dbraw/zinc/11/20/13/372112013.db2.gz GRQCLDPAGSUUHN-UHFFFAOYSA-N 1 0 274.408 2.908 50 0 CFAARO CC[C@H]([NH2+]Cc1ccc(C)cc1)C(=O)Nc1cc(C)on1 ZINC000014242756 372066228 /nfs/dbraw/zinc/06/62/28/372066228.db2.gz RXWQXJMHPUZSOJ-AWEZNQCLSA-N 1 0 287.363 2.798 50 0 CFAARO CC[NH2+]CC[C@H]1CCC(=O)N1C[C@@H](C)c1ccccc1 ZINC000014967649 372077031 /nfs/dbraw/zinc/07/70/31/372077031.db2.gz WMGSOPJTXJGKJJ-GDBMZVCRSA-N 1 0 274.408 2.781 50 0 CFAARO CC(C)CCC[C@H]1CN(c2cc[nH+]c(CO)c2)CCO1 ZINC000014980376 372077170 /nfs/dbraw/zinc/07/71/70/372077170.db2.gz XRKHPMDMISFPRQ-INIZCTEOSA-N 1 0 278.396 2.605 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000015554391 372087145 /nfs/dbraw/zinc/08/71/45/372087145.db2.gz SCRJANLOGRZSDU-UHFFFAOYSA-N 1 0 275.396 2.929 50 0 CFAARO Cc1ccc(COc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000019688535 372180451 /nfs/dbraw/zinc/18/04/51/372180451.db2.gz FYRDWTVXOKYBMX-UHFFFAOYSA-N 1 0 282.387 2.984 50 0 CFAARO C[NH+](C)CCN(Cc1ccccc1)c1ccccn1 ZINC000019117728 372148694 /nfs/dbraw/zinc/14/86/94/372148694.db2.gz UFLGIAIHIAPJJC-UHFFFAOYSA-N 1 0 255.365 2.650 50 0 world CFAARO CO[C@H]1CCCN(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228969 372151455 /nfs/dbraw/zinc/15/14/55/372151455.db2.gz FIJPMISJQKYIGK-MSOLQXFVSA-N 1 0 288.435 2.587 50 0 CFAARO CS(=O)(=O)c1cccc([C@@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000019421285 372162901 /nfs/dbraw/zinc/16/29/01/372162901.db2.gz DXMXEBUKHYVVFF-AWEZNQCLSA-N 1 0 295.791 2.792 50 0 CFAARO CC[NH+]1CCN(Cc2ccc(OC)c3ccccc23)CC1 ZINC000019634860 372179035 /nfs/dbraw/zinc/17/90/35/372179035.db2.gz QHTSFCUNVHINBX-UHFFFAOYSA-N 1 0 284.403 2.986 50 0 CFAARO CCc1ccccc1NC(=O)NC1CC[NH+](CC)CC1 ZINC000017007457 372124508 /nfs/dbraw/zinc/12/45/08/372124508.db2.gz LCVKRTUUDYYYGI-UHFFFAOYSA-N 1 0 275.396 2.855 50 0 CFAARO O=C(C[NH2+]C1CCCC1)Nc1ccccc1Cl ZINC000020037085 372221142 /nfs/dbraw/zinc/22/11/42/372221142.db2.gz ZIYDFCFTOZMDHZ-UHFFFAOYSA-N 1 0 252.745 2.811 50 0 CFAARO CCCOc1ccc(CNCCC[NH+](C)C)cc1 ZINC000020091787 372228515 /nfs/dbraw/zinc/22/85/15/372228515.db2.gz DIKXPCDVWSSNQB-UHFFFAOYSA-N 1 0 250.386 2.517 50 0 CFAARO Fc1ccccc1OC1CC[NH+](CCn2ccnc2)CC1 ZINC000020109875 372232075 /nfs/dbraw/zinc/23/20/75/372232075.db2.gz ADJDQAPXSINKNJ-UHFFFAOYSA-N 1 0 289.354 2.566 50 0 CFAARO Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000020135786 372234487 /nfs/dbraw/zinc/23/44/87/372234487.db2.gz AAKKGBMELYMFIJ-UHFFFAOYSA-N 1 0 285.366 2.730 50 0 CFAARO Cc1ncccc1CN1CCN(c2ccccc2F)CC1 ZINC000020536689 372239450 /nfs/dbraw/zinc/23/94/50/372239450.db2.gz QCIMQEXJBAXYCO-UHFFFAOYSA-N 1 0 285.366 2.851 50 0 CFAARO Cc1ccc(C)c(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)c1 ZINC000019771290 372184227 /nfs/dbraw/zinc/18/42/27/372184227.db2.gz YGQZJYWNJRYUID-DOTOQJQBSA-N 1 0 258.409 2.972 50 0 CFAARO CC(C)COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000019737898 372184808 /nfs/dbraw/zinc/18/48/08/372184808.db2.gz CFYOZGMJQHGDCG-MRXNPFEDSA-N 1 0 263.381 2.990 50 0 CFAARO CCCOc1c(C[NH2+]C)cc(Br)cc1OC ZINC000019776954 372186131 /nfs/dbraw/zinc/18/61/31/372186131.db2.gz FOZGYZCMUCCFOW-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO C[NH+]1CCN(CCOc2ccccc2-c2ccccc2)CC1 ZINC000019802467 372190029 /nfs/dbraw/zinc/19/00/29/372190029.db2.gz XLSUKOJZGMOVBW-UHFFFAOYSA-N 1 0 296.414 2.980 50 0 CFAARO C[N@@H+]1CC[C@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000019840086 372197871 /nfs/dbraw/zinc/19/78/71/372197871.db2.gz MJZGTWQPUUIFLH-ZDUSSCGKSA-N 1 0 283.375 2.959 50 0 CFAARO C[C@H]1C[NH+](CCC(=O)Nc2cccc(Cl)c2)C[C@H](C)O1 ZINC000019841533 372198007 /nfs/dbraw/zinc/19/80/07/372198007.db2.gz VZXVISRXDAIVJZ-RYUDHWBXSA-N 1 0 296.798 2.778 50 0 CFAARO c1ccc(-c2ccc(C[NH2+]CCN3CCOCC3)cc2)cc1 ZINC000019872140 372201919 /nfs/dbraw/zinc/20/19/19/372201919.db2.gz DAIAQRHMUVZMQU-UHFFFAOYSA-N 1 0 296.414 2.775 50 0 CFAARO Cc1cc(C)cc(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019888934 372203841 /nfs/dbraw/zinc/20/38/41/372203841.db2.gz ZZYBUZMZIBEEOQ-GJZGRUSLSA-N 1 0 290.407 2.741 50 0 CFAARO [NH3+]Cc1ccccc1-c1ccc(CN2CCOCC2)cc1 ZINC000021959001 372243271 /nfs/dbraw/zinc/24/32/71/372243271.db2.gz HFPUMWVZKZXLCU-UHFFFAOYSA-N 1 0 282.387 2.645 50 0 CFAARO CC(C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000021987167 372244148 /nfs/dbraw/zinc/24/41/48/372244148.db2.gz DLHMZWBUSAXLTO-UHFFFAOYSA-N 1 0 283.213 2.980 50 0 CFAARO CCOc1c(CNC[C@H]2CCC[N@@H+]2CC)cccc1OC ZINC000022936396 372248171 /nfs/dbraw/zinc/24/81/71/372248171.db2.gz OBTGMCDGYFCGKH-OAHLLOKOSA-N 1 0 292.423 2.668 50 0 CFAARO CCCCn1c2ccccc2nc1CN1CC[NH+](C)CC1 ZINC000022909961 372248660 /nfs/dbraw/zinc/24/86/60/372248660.db2.gz GHGHUOZEYULRLQ-UHFFFAOYSA-N 1 0 286.423 2.584 50 0 CFAARO COc1ccc(C[NH+]2CCC(O)CC2)c2ccccc12 ZINC000023281662 372255881 /nfs/dbraw/zinc/25/58/81/372255881.db2.gz WOZKJWJWFPAMJI-UHFFFAOYSA-N 1 0 271.360 2.805 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000023281866 372255947 /nfs/dbraw/zinc/25/59/47/372255947.db2.gz FCOMFRNUTWRVLE-CQSZACIVSA-N 1 0 298.386 2.546 50 0 CFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC000023366992 372258724 /nfs/dbraw/zinc/25/87/24/372258724.db2.gz KJQDRZAKGHNTOM-AWEZNQCLSA-N 1 0 287.334 2.928 50 0 CFAARO Cc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C)c(C)c1 ZINC000023471808 372260906 /nfs/dbraw/zinc/26/09/06/372260906.db2.gz RUNNMQWVTBLAMJ-RDJZCZTQSA-N 1 0 258.409 2.972 50 0 CFAARO C[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115249 372273190 /nfs/dbraw/zinc/27/31/90/372273190.db2.gz FTGHRDKOCPMFJV-CZUORRHYSA-N 1 0 272.392 2.555 50 0 CFAARO O=C(CC[N@@H+]1CCC[C@H]1c1cccs1)NC1CC1 ZINC000026904159 372331639 /nfs/dbraw/zinc/33/16/39/372331639.db2.gz FQHXKBJGCYUTCV-LBPRGKRZSA-N 1 0 264.394 2.554 50 0 CFAARO COc1cccc(NC(=O)C[N@H+](C(C)C)C2CC2)c1 ZINC000026940319 372333700 /nfs/dbraw/zinc/33/37/00/372333700.db2.gz NHTVTQWDWNFNCH-UHFFFAOYSA-N 1 0 262.353 2.507 50 0 CFAARO Cc1ccc(OCC[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000027373630 372341108 /nfs/dbraw/zinc/34/11/08/372341108.db2.gz AZEFZZMXSKYTCH-UHFFFAOYSA-N 1 0 298.386 2.605 50 0 CFAARO C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCCCCC1 ZINC000028065790 372357150 /nfs/dbraw/zinc/35/71/50/372357150.db2.gz AXMMWYWKDMQEJZ-LLVKDONJSA-N 1 0 281.787 2.938 50 0 CFAARO C[NH+](C)Cc1cccc(NC(=O)/C=C/c2ccncc2)c1 ZINC000029173781 372374863 /nfs/dbraw/zinc/37/48/63/372374863.db2.gz USQNYTDDZGMWPK-VOTSOKGWSA-N 1 0 281.359 2.795 50 0 CFAARO CC[C@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000030144177 372391174 /nfs/dbraw/zinc/39/11/74/372391174.db2.gz KHIZTSUFMCBVOT-LBPRGKRZSA-N 1 0 270.380 2.834 50 0 CFAARO c1csc(-c2n[nH]cc2C[NH2+]CCN2CCCCC2)c1 ZINC000030642732 372395256 /nfs/dbraw/zinc/39/52/56/372395256.db2.gz HNEVKEWGQDHYTF-UHFFFAOYSA-N 1 0 290.436 2.714 50 0 CFAARO COc1ccccc1C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000030901028 372399409 /nfs/dbraw/zinc/39/94/09/372399409.db2.gz VVEAKSONSLJNGP-UHFFFAOYSA-N 1 0 294.358 2.566 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C(C)C)c(C)c1 ZINC000032561812 372446236 /nfs/dbraw/zinc/44/62/36/372446236.db2.gz MGKSLIGLWWQANP-HUUCEWRRSA-N 1 0 265.397 2.677 50 0 CFAARO CCCC[NH+](CCCC)CC(=O)Nc1c(C)nn(C)c1C ZINC000032819307 372466145 /nfs/dbraw/zinc/46/61/45/372466145.db2.gz PQRPFCSTOZEQFQ-UHFFFAOYSA-N 1 0 294.443 2.878 50 0 CFAARO Cc1cc(NC(=O)c2ccoc2)ccc1N1CC[NH+](C)CC1 ZINC000032843492 372467666 /nfs/dbraw/zinc/46/76/66/372467666.db2.gz IRNKUOOGLMBFCI-UHFFFAOYSA-N 1 0 299.374 2.592 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)o2)CC1 ZINC000032873749 372470621 /nfs/dbraw/zinc/47/06/21/372470621.db2.gz MKXQZSUNJNORIN-UHFFFAOYSA-N 1 0 270.760 2.536 50 0 CFAARO FC(F)(F)CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034264447 372507094 /nfs/dbraw/zinc/50/70/94/372507094.db2.gz GBBWFNQLKOWTGS-CYBMUJFWSA-N 1 0 272.314 2.660 50 0 CFAARO Cc1ccc([C@H](CNC(=O)C(C)(C)C)[NH+](C)C)cc1 ZINC000036091070 372555456 /nfs/dbraw/zinc/55/54/56/372555456.db2.gz LVBJHNQAFTVHOR-AWEZNQCLSA-N 1 0 262.397 2.760 50 0 CFAARO CC(C)CC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000036079478 372555597 /nfs/dbraw/zinc/55/55/97/372555597.db2.gz BTJAANLJUWQGBA-LLVKDONJSA-N 1 0 254.399 2.513 50 0 CFAARO CCC[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COC(C)C ZINC000036100218 372557841 /nfs/dbraw/zinc/55/78/41/372557841.db2.gz WFEIAIDBWKHTIF-INIZCTEOSA-N 1 0 295.423 2.693 50 0 CFAARO CCC[N@@H+](Cc1cccs1)C[C@H](O)COCC(C)C ZINC000036096623 372558883 /nfs/dbraw/zinc/55/88/83/372558883.db2.gz FFEJFRAZISOHKW-AWEZNQCLSA-N 1 0 285.453 2.994 50 0 CFAARO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000037020911 372635858 /nfs/dbraw/zinc/63/58/58/372635858.db2.gz VXYGDOHMIGHOGC-YUMQZZPRSA-N 1 0 260.790 2.706 50 0 CFAARO COc1ccc(F)cc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000037089739 372648109 /nfs/dbraw/zinc/64/81/09/372648109.db2.gz PLEAWPZYQXMBFZ-LLVKDONJSA-N 1 0 266.360 2.579 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000037140289 372654080 /nfs/dbraw/zinc/65/40/80/372654080.db2.gz RWMNOWIDVTXKHE-LLVKDONJSA-N 1 0 259.353 2.535 50 0 CFAARO Fc1ccccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037648225 372682720 /nfs/dbraw/zinc/68/27/20/372682720.db2.gz BBKQZUNLXXJWNF-NSHDSACASA-N 1 0 290.304 2.800 50 0 CFAARO O[C@@H](C[NH2+]Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000037863653 372729604 /nfs/dbraw/zinc/72/96/04/372729604.db2.gz VSJFIUYQHPYCJP-HNNXBMFYSA-N 1 0 263.287 2.788 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000037989272 372751244 /nfs/dbraw/zinc/75/12/44/372751244.db2.gz UNKDQDURHWNMKE-UHFFFAOYSA-N 1 0 285.269 2.907 50 0 CFAARO CO[C@@H]1CCCN(CC[N@@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000039447834 372779168 /nfs/dbraw/zinc/77/91/68/372779168.db2.gz FIJPMISJQKYIGK-ZWKOTPCHSA-N 1 0 288.435 2.587 50 0 CFAARO O[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000041344111 372833268 /nfs/dbraw/zinc/83/32/68/372833268.db2.gz SSXRXLXPTLCXJM-ZYHUDNBSSA-N 1 0 259.271 2.738 50 0 CFAARO c1ccc(COc2ccc(OC3C[NH2+]C3)cc2)cc1 ZINC000042769964 372953492 /nfs/dbraw/zinc/95/34/92/372953492.db2.gz OECRATFGGJQGFV-UHFFFAOYSA-N 1 0 255.317 2.616 50 0 CFAARO Fc1ccc(COCCC2CC[NH2+]CC2)c(F)c1 ZINC000042773926 372953865 /nfs/dbraw/zinc/95/38/65/372953865.db2.gz YXYINMNMPWTRNI-UHFFFAOYSA-N 1 0 255.308 2.871 50 0 CFAARO CCOC(=O)c1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042771204 372954035 /nfs/dbraw/zinc/95/40/35/372954035.db2.gz PKSCJMJCQRURNE-CYBMUJFWSA-N 1 0 277.364 2.774 50 0 CFAARO CCC(CC)(CNC(=O)NCc1cccs1)[NH+](C)C ZINC000042838270 372960892 /nfs/dbraw/zinc/96/08/92/372960892.db2.gz FDSZYLZHJYDCHL-UHFFFAOYSA-N 1 0 283.441 2.668 50 0 CFAARO C[C@H]1CCC[N@H+](CCCNC(=O)Nc2ccccc2)C1 ZINC000043131014 372977392 /nfs/dbraw/zinc/97/73/92/372977392.db2.gz LEVYGCOGUDBMAU-AWEZNQCLSA-N 1 0 275.396 2.930 50 0 CFAARO COCCc1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042771221 372954630 /nfs/dbraw/zinc/95/46/30/372954630.db2.gz UCTVCDQCICVFDF-OAHLLOKOSA-N 1 0 263.381 2.644 50 0 CFAARO CCOC(=O)c1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042771336 372954794 /nfs/dbraw/zinc/95/47/94/372954794.db2.gz OWKJQIOPRVLPEZ-AWEZNQCLSA-N 1 0 277.364 2.774 50 0 CFAARO O=C(OCc1ccccc1)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000042782933 372955925 /nfs/dbraw/zinc/95/59/25/372955925.db2.gz OPOVYJBTQQAMHB-KRWDZBQOSA-N 1 0 297.354 2.784 50 0 CFAARO CC(C)=CCN1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000042816724 372958367 /nfs/dbraw/zinc/95/83/67/372958367.db2.gz NLTBGXLZKSBGHW-MRXNPFEDSA-N 1 0 266.429 2.576 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000046995480 373073980 /nfs/dbraw/zinc/07/39/80/373073980.db2.gz ODFPTXGCNGHMSJ-ZIAGYGMSSA-N 1 0 278.783 2.697 50 0 CFAARO CC1CC[NH+](CCCCNC(=O)c2cccs2)CC1 ZINC000047016388 373074702 /nfs/dbraw/zinc/07/47/02/373074702.db2.gz VNVAKOKBJSTYRY-UHFFFAOYSA-N 1 0 280.437 2.990 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)CC(C)(C)C)c1cccs1 ZINC000048325746 373163052 /nfs/dbraw/zinc/16/30/52/373163052.db2.gz ZUWKPSONZUFBQR-NSHDSACASA-N 1 0 268.426 2.903 50 0 CFAARO FC(F)(F)c1cccc(C[NH2+]CCn2cccn2)c1 ZINC000048449583 373185342 /nfs/dbraw/zinc/18/53/42/373185342.db2.gz SRPUZEOGTQTTDU-UHFFFAOYSA-N 1 0 269.270 2.692 50 0 CFAARO CC[NH+]1CCC(CNC(=O)/C=C/c2ccsc2)CC1 ZINC000049377599 373290755 /nfs/dbraw/zinc/29/07/55/373290755.db2.gz FFXAOXFXPWHMLB-ONEGZZNKSA-N 1 0 278.421 2.609 50 0 CFAARO CC(C)CC(=O)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000049573703 373312559 /nfs/dbraw/zinc/31/25/59/373312559.db2.gz YTOYGHVNAOOMKW-OAHLLOKOSA-N 1 0 264.413 2.533 50 0 CFAARO Cc1noc(C)c1C[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000051705850 373406128 /nfs/dbraw/zinc/40/61/28/373406128.db2.gz JMYCNOMQDUXTAC-OAHLLOKOSA-N 1 0 278.327 2.596 50 0 CFAARO O[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000051999268 373428455 /nfs/dbraw/zinc/42/84/55/373428455.db2.gz ZSTFUORUQQNTBB-TZMCWYRMSA-N 1 0 289.404 2.598 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000054226569 373507317 /nfs/dbraw/zinc/50/73/17/373507317.db2.gz MTLOBGZEUWKBSA-YOEHRIQHSA-N 1 0 295.386 2.647 50 0 CFAARO CC[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000054559774 373527271 /nfs/dbraw/zinc/52/72/71/373527271.db2.gz OGXXGKAECOVMLS-VMPITWQZSA-N 1 0 278.783 2.517 50 0 CFAARO COCCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000053789234 373487522 /nfs/dbraw/zinc/48/75/22/373487522.db2.gz IDXOEWCIBGFHPR-LLVKDONJSA-N 1 0 258.159 2.876 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000057353621 373590476 /nfs/dbraw/zinc/59/04/76/373590476.db2.gz NAXBLKVTPPYSPU-SNVBAGLBSA-N 1 0 290.132 2.541 50 0 CFAARO Cc1ccc(CC(=O)NC2CC[NH+](CC(C)C)CC2)s1 ZINC000057031520 373577453 /nfs/dbraw/zinc/57/74/53/373577453.db2.gz BRQGJTVRWGTDFB-UHFFFAOYSA-N 1 0 294.464 2.836 50 0 CFAARO c1cc(N2CCOCC2)ncc1C[NH2+]C1CCCCCC1 ZINC000058150004 373626726 /nfs/dbraw/zinc/62/67/26/373626726.db2.gz FNDKFPMKGFRPJL-UHFFFAOYSA-N 1 0 289.423 2.731 50 0 CFAARO COCCCCC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000058136303 373627650 /nfs/dbraw/zinc/62/76/50/373627650.db2.gz MSOOMTMGEKRHQK-HOTGVXAUSA-N 1 0 298.471 2.677 50 0 CFAARO O=C(NC1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058223641 373635428 /nfs/dbraw/zinc/63/54/28/373635428.db2.gz GMQSRCYBHNBFMU-OAHLLOKOSA-N 1 0 279.428 2.589 50 0 CFAARO O=C(CCc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058323370 373644706 /nfs/dbraw/zinc/64/47/06/373644706.db2.gz NPUIAYLKVCTWLC-KRWDZBQOSA-N 1 0 286.419 2.706 50 0 CFAARO Cc1c(Cl)cccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000058466939 373660328 /nfs/dbraw/zinc/66/03/28/373660328.db2.gz LASTYTVYLXZJLF-UHFFFAOYSA-N 1 0 281.787 2.864 50 0 CFAARO COc1cc2c(cc1OC)C[N@H+](CCc1ccncc1)CC2 ZINC000060474118 373697221 /nfs/dbraw/zinc/69/72/21/373697221.db2.gz JMFGFIBMTXJFLH-UHFFFAOYSA-N 1 0 298.386 2.700 50 0 CFAARO CCc1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)o1 ZINC000064166440 373819402 /nfs/dbraw/zinc/81/94/02/373819402.db2.gz CBFUAHFCJHNODN-UHFFFAOYSA-N 1 0 282.347 2.713 50 0 CFAARO C[NH+]1CCC(NC(=S)N2CCC[C@H]2C2CCCC2)CC1 ZINC000063150443 373788009 /nfs/dbraw/zinc/78/80/09/373788009.db2.gz GUSQJPXVUGACDQ-HNNXBMFYSA-N 1 0 295.496 2.610 50 0 CFAARO COc1c(C[NH2+][C@H]2C[C@@H]2c2ccc(F)cc2)c(C)nn1C ZINC000065474463 373878135 /nfs/dbraw/zinc/87/81/35/373878135.db2.gz FRBCLZQHPYMCST-HIFRSBDPSA-N 1 0 289.354 2.522 50 0 CFAARO C[C@@H](Cc1ccccc1F)[NH2+]CC1(CO)CCCC1 ZINC000065527966 373881770 /nfs/dbraw/zinc/88/17/70/373881770.db2.gz INFLXDZFCBISMS-ZDUSSCGKSA-N 1 0 265.372 2.899 50 0 CFAARO Cc1cnc(NCc2ccccc2C[NH+](C)C)nc1N(C)C ZINC000065529789 373884236 /nfs/dbraw/zinc/88/42/36/373884236.db2.gz AXNIACJFSFAJQP-UHFFFAOYSA-N 1 0 299.422 2.525 50 0 CFAARO Fc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1F ZINC000065564042 373887748 /nfs/dbraw/zinc/88/77/48/373887748.db2.gz CUJJXLQVUTXTKU-CYBMUJFWSA-N 1 0 266.335 2.635 50 0 CFAARO C[N@@H+]1CCC[C@H]1CNC(=O)CCSc1ccc(F)cc1 ZINC000065590739 373891175 /nfs/dbraw/zinc/89/11/75/373891175.db2.gz ABEFZXUSYRWKLV-ZDUSSCGKSA-N 1 0 296.411 2.518 50 0 CFAARO CC(C)C[NH+]1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000065622187 373895723 /nfs/dbraw/zinc/89/57/23/373895723.db2.gz SPWDCMIUGAONGM-INIZCTEOSA-N 1 0 296.842 2.647 50 0 CFAARO CCN(Cc1ccccc1)C(=O)CC[N@H+]1CC=CCC1 ZINC000065370214 373858564 /nfs/dbraw/zinc/85/85/64/373858564.db2.gz ZJQXGGARVWZOKI-UHFFFAOYSA-N 1 0 272.392 2.687 50 0 CFAARO Cc1nn(C)c(Cl)c1CN(C)CC[C@@H](C)[NH+]1CCCC1 ZINC000065373971 373858927 /nfs/dbraw/zinc/85/89/27/373858927.db2.gz SXAKGRQTORLTAW-GFCCVEGCSA-N 1 0 298.862 2.688 50 0 CFAARO Cc1cccc(NC(=O)N2CCC3(CC[N@@H+](C)C3)CC2)c1 ZINC000065374239 373859080 /nfs/dbraw/zinc/85/90/80/373859080.db2.gz KPLRUKNWRPRZLL-UHFFFAOYSA-N 1 0 287.407 2.945 50 0 CFAARO Cc1ncc(C[N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)[nH]1 ZINC000065398706 373866134 /nfs/dbraw/zinc/86/61/34/373866134.db2.gz AMTWMAAKGKAGMN-HNNXBMFYSA-N 1 0 284.407 2.676 50 0 CFAARO CCN(C(=O)CC[N@H+]1CC=CCC1)c1ccccc1C ZINC000065398436 373866267 /nfs/dbraw/zinc/86/62/67/373866267.db2.gz YVKSQSJDZSHKPL-UHFFFAOYSA-N 1 0 272.392 3.000 50 0 CFAARO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000065396854 373866988 /nfs/dbraw/zinc/86/69/88/373866988.db2.gz JMAYEHTUVCKWPP-UHFFFAOYSA-N 1 0 289.404 2.912 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(-c2cccnc2)no1 ZINC000065434236 373873696 /nfs/dbraw/zinc/87/36/96/373873696.db2.gz VKMJHEUYGVNCSE-TXEJJXNPSA-N 1 0 272.352 2.895 50 0 CFAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2nncs2)c1 ZINC000067713410 373995040 /nfs/dbraw/zinc/99/50/40/373995040.db2.gz UPHFSZNKPIWACX-UHFFFAOYSA-N 1 0 290.392 2.632 50 0 CFAARO CN1CCC[C@@]2(CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)C1=O ZINC000067727249 373996031 /nfs/dbraw/zinc/99/60/31/373996031.db2.gz PNFAZRIHGYDEIX-SFHVURJKSA-N 1 0 297.402 2.612 50 0 CFAARO Cc1ccccc1CCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067817529 374005101 /nfs/dbraw/zinc/00/51/01/374005101.db2.gz VWYDHDJKQZQOJJ-INIZCTEOSA-N 1 0 288.435 2.774 50 0 CFAARO CCCC[C@@H]1C=CC[N@@H+]1Cc1c(O)c(C)ncc1CO ZINC000067821172 374005845 /nfs/dbraw/zinc/00/58/45/374005845.db2.gz BGGJJNMSIZAAPX-CQSZACIVSA-N 1 0 276.380 2.519 50 0 CFAARO Cc1ccc(C2(O)CC[NH+](CCSC(C)C)CC2)nc1 ZINC000067884055 374013551 /nfs/dbraw/zinc/01/35/51/374013551.db2.gz XVHZFYIEKWKWNE-UHFFFAOYSA-N 1 0 294.464 2.815 50 0 CFAARO Cc1cc2ccccc2n1CC[NH2+][C@H](C)Cn1cccn1 ZINC000067886632 374013643 /nfs/dbraw/zinc/01/36/43/374013643.db2.gz CZSWZXAWNALSNC-CQSZACIVSA-N 1 0 282.391 2.825 50 0 CFAARO COc1ccc(C[NH+]2CCC(c3noc(C)n3)CC2)cc1 ZINC000067350456 373976835 /nfs/dbraw/zinc/97/68/35/373976835.db2.gz LIQRMFKAUGOZRT-UHFFFAOYSA-N 1 0 287.363 2.766 50 0 CFAARO c1ccc(CCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000069621482 374080876 /nfs/dbraw/zinc/08/08/76/374080876.db2.gz SIAFJROVGGJRQR-UHFFFAOYSA-N 1 0 258.409 2.789 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H](C)n1cccn1 ZINC000069349724 374055872 /nfs/dbraw/zinc/05/58/72/374055872.db2.gz BGSKIYDTVOUFFD-CABCVRRESA-N 1 0 295.390 2.808 50 0 CFAARO C[C@@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000069415796 374059050 /nfs/dbraw/zinc/05/90/50/374059050.db2.gz DFHXZDJCJQCUMW-ZBFHGGJFSA-N 1 0 274.408 2.560 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1c[nH]nc1C(C)(C)C)n1cccn1 ZINC000069418028 374062177 /nfs/dbraw/zinc/06/21/77/374062177.db2.gz BNBWHRAEGRLRKO-NWDGAFQWSA-N 1 0 275.400 2.643 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000069463852 374066063 /nfs/dbraw/zinc/06/60/63/374066063.db2.gz BTVNJVYNOLRHNI-QWHCGFSZSA-N 1 0 287.363 2.660 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cnc(C)s2)c1 ZINC000069490456 374068429 /nfs/dbraw/zinc/06/84/29/374068429.db2.gz SWPJXDDMERFLIX-GHMZBOCLSA-N 1 0 264.398 2.696 50 0 CFAARO CCONC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000069509301 374070615 /nfs/dbraw/zinc/07/06/15/374070615.db2.gz WQOJTXRDTKEMRS-UHFFFAOYSA-N 1 0 264.369 2.598 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1csc(C)n1 ZINC000069528802 374072080 /nfs/dbraw/zinc/07/20/80/374072080.db2.gz NFJSSGZFRBMIKB-KGLIPLIRSA-N 1 0 293.436 2.540 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000069568476 374074099 /nfs/dbraw/zinc/07/40/99/374074099.db2.gz MOOAYNXYLBKJAK-LBPRGKRZSA-N 1 0 270.336 2.511 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccccc1F ZINC000069571441 374076366 /nfs/dbraw/zinc/07/63/66/374076366.db2.gz SNGIBDXFNZKJDM-CABCVRRESA-N 1 0 276.355 2.525 50 0 CFAARO Cc1ccsc1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000069665452 374083558 /nfs/dbraw/zinc/08/35/58/374083558.db2.gz HSONAENZRGSKGF-UHFFFAOYSA-N 1 0 280.437 2.860 50 0 CFAARO CC[C@@](C)(CO)[NH2+]Cc1csc(Br)c1 ZINC000069948022 374112070 /nfs/dbraw/zinc/11/20/70/374112070.db2.gz RDCGYIZXGMCWAC-JTQLQIEISA-N 1 0 278.215 2.761 50 0 CFAARO C[C@@H]([NH2+]CCOc1ccccc1F)[C@H](C)n1cccn1 ZINC000069972418 374113623 /nfs/dbraw/zinc/11/36/23/374113623.db2.gz QURAZRVHPVUBQG-OLZOCXBDSA-N 1 0 277.343 2.640 50 0 CFAARO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000070039464 374117700 /nfs/dbraw/zinc/11/77/00/374117700.db2.gz XDNSRZJEMPQUEC-AWEZNQCLSA-N 1 0 296.374 2.997 50 0 CFAARO Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000069668054 374085509 /nfs/dbraw/zinc/08/55/09/374085509.db2.gz UTUTYAYTMYOUSK-QZTJIDSGSA-N 1 0 299.418 2.907 50 0 CFAARO CCOCCN1CC[N@H+](CCc2ccccc2)C[C@@H]1CC ZINC000069701357 374087131 /nfs/dbraw/zinc/08/71/31/374087131.db2.gz RLNNCKMUURMASM-SFHVURJKSA-N 1 0 290.451 2.662 50 0 CFAARO C(=C/c1ccccc1)\C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000069741012 374091485 /nfs/dbraw/zinc/09/14/85/374091485.db2.gz WHMMCVBNEORLJZ-NADMHLTPSA-N 1 0 282.391 2.846 50 0 CFAARO CCc1nnc([C@@H](C)N2CC[NH+](CCC(C)(C)C)CC2)o1 ZINC000069738080 374091886 /nfs/dbraw/zinc/09/18/86/374091886.db2.gz VVMLDZYCHJMQDW-CYBMUJFWSA-N 1 0 294.443 2.747 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)ccc1F ZINC000069810855 374100571 /nfs/dbraw/zinc/10/05/71/374100571.db2.gz XHIOEHOJOFSENV-HOTGVXAUSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2)no1 ZINC000069873574 374105244 /nfs/dbraw/zinc/10/52/44/374105244.db2.gz UZZYRKCJQNHSIR-HNNXBMFYSA-N 1 0 299.374 2.801 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000070172357 374137926 /nfs/dbraw/zinc/13/79/26/374137926.db2.gz JIKMDRIHQNJCLK-QWRGUYRKSA-N 1 0 266.410 2.510 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000070172355 374137933 /nfs/dbraw/zinc/13/79/33/374137933.db2.gz JIKMDRIHQNJCLK-MNOVXSKESA-N 1 0 266.410 2.510 50 0 CFAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070172580 374138053 /nfs/dbraw/zinc/13/80/53/374138053.db2.gz RNFGUROOHBMMGJ-GHMZBOCLSA-N 1 0 296.798 2.548 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000070172356 374138227 /nfs/dbraw/zinc/13/82/27/374138227.db2.gz JIKMDRIHQNJCLK-GHMZBOCLSA-N 1 0 266.410 2.510 50 0 CFAARO COc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000070251850 374152371 /nfs/dbraw/zinc/15/23/71/374152371.db2.gz RPXQXABAPXDHAN-LLVKDONJSA-N 1 0 294.782 2.677 50 0 CFAARO C[C@@H](c1ccccn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000071711675 374219018 /nfs/dbraw/zinc/21/90/18/374219018.db2.gz KYYBRXDFBGRIOH-HNNXBMFYSA-N 1 0 267.376 2.965 50 0 CFAARO O=C1OCCN1CC[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000071915033 374232627 /nfs/dbraw/zinc/23/26/27/374232627.db2.gz LBRUVZIIANTLCC-CYBMUJFWSA-N 1 0 278.352 2.649 50 0 CFAARO c1cc2nc(-c3ccccc3)cc(NC[C@H]3CCC[NH2+]3)n2n1 ZINC000072418689 374249747 /nfs/dbraw/zinc/24/97/47/374249747.db2.gz RXDXCXJOCJSEMS-CQSZACIVSA-N 1 0 293.374 2.560 50 0 CFAARO CCN1CC2(CC[NH+](Cc3cccc(C)c3)CC2)OC1=O ZINC000072432293 374253423 /nfs/dbraw/zinc/25/34/23/374253423.db2.gz JUYHCXTZBRYYIB-UHFFFAOYSA-N 1 0 288.391 2.802 50 0 CFAARO OC[C@H]1COCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000072475281 374256143 /nfs/dbraw/zinc/25/61/43/374256143.db2.gz DJQJQZCNWVUUJD-KRWDZBQOSA-N 1 0 297.398 2.794 50 0 CFAARO COc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000072269774 374237828 /nfs/dbraw/zinc/23/78/28/374237828.db2.gz XETBRLHWSBCNLN-VXGBXAGGSA-N 1 0 277.343 2.770 50 0 CFAARO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC000072268707 374238662 /nfs/dbraw/zinc/23/86/62/374238662.db2.gz DZVJMNFDOUSEJV-GJZGRUSLSA-N 1 0 264.413 2.818 50 0 CFAARO Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000072294910 374241967 /nfs/dbraw/zinc/24/19/67/374241967.db2.gz LJCQJMNXAZJMSS-USXIJHARSA-N 1 0 299.418 2.943 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNc1cc(C(C)C)nc2ccnn21 ZINC000072419217 374249147 /nfs/dbraw/zinc/24/91/47/374249147.db2.gz JQWYVUOJSIZOMY-CYBMUJFWSA-N 1 0 287.411 2.749 50 0 CFAARO C[C@@H]1C[C@H]([N@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181984 374328255 /nfs/dbraw/zinc/32/82/55/374328255.db2.gz QWXTXFFZGWJHRO-BVOGVELGSA-N 1 0 277.408 2.839 50 0 CFAARO CC[C@H](NC(=O)CCC[NH+]1CCCCC1)c1ccncc1 ZINC000073944801 374398265 /nfs/dbraw/zinc/39/82/65/374398265.db2.gz CLXSDTQDEVKPPX-INIZCTEOSA-N 1 0 289.423 2.915 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(Cc2c(F)cccc2Cl)C1=O ZINC000075876398 374509131 /nfs/dbraw/zinc/50/91/31/374509131.db2.gz JDWCWJIPBYZNJV-CYBMUJFWSA-N 1 0 284.762 2.532 50 0 CFAARO C[C@@H](CCc1ccccc1)[NH2+]Cc1nnc2n1CCCC2 ZINC000076046773 374524451 /nfs/dbraw/zinc/52/44/51/374524451.db2.gz BKLPCYAOHQQJIT-AWEZNQCLSA-N 1 0 284.407 2.725 50 0 CFAARO NC(=O)[C@H]([NH2+]CC1(c2ccccc2F)CC1)c1ccccc1 ZINC000076320488 374548495 /nfs/dbraw/zinc/54/84/95/374548495.db2.gz CHWFZSIBOCJKNX-MRXNPFEDSA-N 1 0 298.361 2.674 50 0 CFAARO Cc1nc(C)c(C)c(N(C)C[C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000077439853 374561967 /nfs/dbraw/zinc/56/19/67/374561967.db2.gz WMVWHXLZLOBPKI-MRXNPFEDSA-N 1 0 290.455 2.958 50 0 CFAARO c1cncc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000078890671 374573005 /nfs/dbraw/zinc/57/30/05/374573005.db2.gz OMPZJUQMMVBJGV-AWEZNQCLSA-N 1 0 284.363 2.722 50 0 CFAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000079029466 374584433 /nfs/dbraw/zinc/58/44/33/374584433.db2.gz JBVYVHWCPPQPQT-WRWORJQWSA-N 1 0 275.179 2.908 50 0 CFAARO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000079029472 374584873 /nfs/dbraw/zinc/58/48/73/374584873.db2.gz JBVYVHWCPPQPQT-RDDDGLTNSA-N 1 0 275.179 2.908 50 0 CFAARO CNC(=O)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000079875794 374634348 /nfs/dbraw/zinc/63/43/48/374634348.db2.gz WLYCCPNPFBVYIF-UHFFFAOYSA-N 1 0 282.387 2.825 50 0 CFAARO COCCC[N@@H+]1CCC[C@H](c2nccn2CC2CC2)C1 ZINC000082108839 374725605 /nfs/dbraw/zinc/72/56/05/374725605.db2.gz QRXLQZWQGOFOMY-HNNXBMFYSA-N 1 0 277.412 2.509 50 0 CFAARO C[NH+](C)CCCCNC(=O)Nc1cccc(Cl)c1 ZINC000082262213 374730095 /nfs/dbraw/zinc/73/00/95/374730095.db2.gz KJMMQKJBLPQHHW-UHFFFAOYSA-N 1 0 269.776 2.803 50 0 CFAARO COc1ccc([C@@H]([NH2+]CCO)c2ccc(C)cc2)cc1 ZINC000085274562 374800767 /nfs/dbraw/zinc/80/07/67/374800767.db2.gz PWKLUQRVBJGHCR-KRWDZBQOSA-N 1 0 271.360 2.675 50 0 CFAARO COCC[NH+]1CCC(CNc2nc3ccccc3o2)CC1 ZINC000089414515 374902172 /nfs/dbraw/zinc/90/21/72/374902172.db2.gz LHDPVDPTVUVJQU-UHFFFAOYSA-N 1 0 289.379 2.598 50 0 CFAARO OCc1ccc(C[NH2+]C[C@@H]2C[C@]23CCc2ccccc23)o1 ZINC000088745155 374862653 /nfs/dbraw/zinc/86/26/53/374862653.db2.gz GJIMEHIKKVAMKT-KBXCAEBGSA-N 1 0 283.371 2.766 50 0 CFAARO Cc1ccoc1[C@@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000089515362 374916861 /nfs/dbraw/zinc/91/68/61/374916861.db2.gz NNUAARYLWJWNOX-GFCCVEGCSA-N 1 0 270.336 2.524 50 0 CFAARO CC(C)[C@@H](C)[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000089595166 374926186 /nfs/dbraw/zinc/92/61/86/374926186.db2.gz YMYWUIVEHVXWEQ-OAHLLOKOSA-N 1 0 268.445 2.656 50 0 CFAARO Cc1cccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1 ZINC000089629281 374930108 /nfs/dbraw/zinc/93/01/08/374930108.db2.gz PTBGFUABEMZARC-ZDUSSCGKSA-N 1 0 283.437 2.859 50 0 CFAARO c1cn([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCCO3)cn1 ZINC000089807037 374956449 /nfs/dbraw/zinc/95/64/49/374956449.db2.gz QNIUSDPZSBCFIH-LSDHHAIUSA-N 1 0 299.374 2.538 50 0 CFAARO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1ccccc1 ZINC000089845644 374959164 /nfs/dbraw/zinc/95/91/64/374959164.db2.gz KRPLKLUQTVAUKA-CQSZACIVSA-N 1 0 298.390 2.618 50 0 CFAARO O=C(OC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000089834889 374959216 /nfs/dbraw/zinc/95/92/16/374959216.db2.gz MTTRBUKCMMNGSD-INIZCTEOSA-N 1 0 296.370 2.761 50 0 CFAARO COC(=O)CC1([NH2+]Cc2ccn(C(C)C)n2)CCCCC1 ZINC000089894114 374964480 /nfs/dbraw/zinc/96/44/80/374964480.db2.gz ZVIFJHIEPUWPAL-UHFFFAOYSA-N 1 0 293.411 2.820 50 0 CFAARO C[N@H+](Cc1ccc(F)cc1F)C1CCC(CO)CC1 ZINC000089924554 374968507 /nfs/dbraw/zinc/96/85/07/374968507.db2.gz OPGXCUJBLPVEFI-UHFFFAOYSA-N 1 0 269.335 2.948 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@@H](CC)C1 ZINC000089949100 374976779 /nfs/dbraw/zinc/97/67/79/374976779.db2.gz NNFWMFUKCVELAP-UONOGXRCSA-N 1 0 280.437 2.875 50 0 CFAARO COc1ccccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092968127 375170825 /nfs/dbraw/zinc/17/08/25/375170825.db2.gz ADFUINLHXVLYAA-OAHLLOKOSA-N 1 0 271.364 2.729 50 0 CFAARO C[C@H]1C[C@@H](N(C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643708 375281482 /nfs/dbraw/zinc/28/14/82/375281482.db2.gz KCCCPYRKBYLFBM-NHYWBVRUSA-N 1 0 268.351 2.879 50 0 CFAARO FC(F)COCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000253427234 189992125 /nfs/dbraw/zinc/99/21/25/189992125.db2.gz DRUXFYSUOOVRLG-UHFFFAOYSA-N 1 0 288.313 2.624 50 0 CFAARO COc1ccc(C[N@H+](C)C[C@@H]2CCOC2)c(Cl)c1OC ZINC000093840392 375320900 /nfs/dbraw/zinc/32/09/00/375320900.db2.gz XVXZZGSGJDRYEP-NSHDSACASA-N 1 0 299.798 2.826 50 0 CFAARO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2C)CCO1 ZINC000095465780 375458723 /nfs/dbraw/zinc/45/87/23/375458723.db2.gz LEFDNDKZSCZHMX-LSDHHAIUSA-N 1 0 265.401 2.792 50 0 CFAARO Clc1ccccc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000095964656 375464916 /nfs/dbraw/zinc/46/49/16/375464916.db2.gz DPEACAIMBNNCSC-UHFFFAOYSA-N 1 0 293.842 2.558 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCC[C@H]1OC ZINC000095988287 375464929 /nfs/dbraw/zinc/46/49/29/375464929.db2.gz UMXCCXSXAGKWHK-GOEBONIOSA-N 1 0 279.428 2.592 50 0 CFAARO C[N@@H+]1CC[C@H]2CCN(c3ccc4ccc(F)cc4n3)[C@@H]2C1 ZINC000095994857 375466256 /nfs/dbraw/zinc/46/62/56/375466256.db2.gz BBTOBVZBLRCIPD-XJKSGUPXSA-N 1 0 285.366 2.904 50 0 CFAARO O=C(C[NH2+]Cc1ccccc1)Nc1cccc(F)c1 ZINC000095351423 375418348 /nfs/dbraw/zinc/41/83/48/375418348.db2.gz LKIMSJUFQIDEJO-UHFFFAOYSA-N 1 0 258.296 2.554 50 0 CFAARO CCc1cc(NCC2([NH+]3CCCC3)CCCC2)ncn1 ZINC000095364464 375421116 /nfs/dbraw/zinc/42/11/16/375421116.db2.gz HLRXATVIKOLKFN-UHFFFAOYSA-N 1 0 274.412 2.860 50 0 CFAARO Cc1nc(C)c(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000095362386 375421269 /nfs/dbraw/zinc/42/12/69/375421269.db2.gz BNJFJOOFCCGLES-ZDUSSCGKSA-N 1 0 295.452 2.641 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000095366344 375422122 /nfs/dbraw/zinc/42/21/22/375422122.db2.gz MZBDYGIPUSJTAV-LLVKDONJSA-N 1 0 288.313 2.597 50 0 CFAARO Cc1cnc(NCC[C@@H]2CCCC[N@H+]2C(C)C)nc1 ZINC000095371955 375424038 /nfs/dbraw/zinc/42/40/38/375424038.db2.gz ICIXXUGKBXNYLE-AWEZNQCLSA-N 1 0 262.401 2.850 50 0 CFAARO COc1ccc([C@H]2[C@H](CNc3ncccn3)CC[N@@H+]2C)cc1 ZINC000095397637 375430105 /nfs/dbraw/zinc/43/01/05/375430105.db2.gz PJPATEZLAMSCFC-HOCLYGCPSA-N 1 0 298.390 2.590 50 0 CFAARO CCOC(=O)CCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000095399812 375431428 /nfs/dbraw/zinc/43/14/28/375431428.db2.gz RGYVDJATBTYIOR-CYBMUJFWSA-N 1 0 265.353 2.802 50 0 CFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC=CC1 ZINC000095413936 375436366 /nfs/dbraw/zinc/43/63/66/375436366.db2.gz JIQDQOZSLSNMDT-UHFFFAOYSA-N 1 0 299.418 2.800 50 0 CFAARO O[C@H](C[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCOC1)c1ccco1 ZINC000095413217 375436589 /nfs/dbraw/zinc/43/65/89/375436589.db2.gz HHSFVANVNJSTHU-HRCADAONSA-N 1 0 293.407 2.984 50 0 CFAARO COc1ccc([C@H](O)C[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000095419752 375439267 /nfs/dbraw/zinc/43/92/67/375439267.db2.gz GRQIORXCBIUESR-CVEARBPZSA-N 1 0 263.381 2.753 50 0 CFAARO CC(C)COC[C@@H]([NH2+]C1CCOCC1)c1ccco1 ZINC000095421510 375440104 /nfs/dbraw/zinc/44/01/04/375440104.db2.gz MJRDLLRRKAPMQD-CQSZACIVSA-N 1 0 267.369 2.762 50 0 CFAARO OCCCSCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000095421998 375440958 /nfs/dbraw/zinc/44/09/58/375440958.db2.gz LJSBYRVILVAGGK-OAHLLOKOSA-N 1 0 265.422 2.769 50 0 CFAARO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000095427561 375444050 /nfs/dbraw/zinc/44/40/50/375444050.db2.gz TUFQBPWSIQDLEQ-SKDRFNHKSA-N 1 0 252.383 2.515 50 0 CFAARO c1ncn(C[C@H]([NH2+]C[C@@H]2CC=CCC2)c2ccccc2)n1 ZINC000095433972 375446531 /nfs/dbraw/zinc/44/65/31/375446531.db2.gz DGLMORSIHMCSNB-WBVHZDCISA-N 1 0 282.391 2.965 50 0 CFAARO COC[C@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000095431527 375447130 /nfs/dbraw/zinc/44/71/30/375447130.db2.gz ROESRNKXLRAXBL-MSOLQXFVSA-N 1 0 285.387 2.681 50 0 CFAARO C[C@H](CNC(=O)c1ccn2c[nH+]cc2c1)Nc1ccccc1 ZINC000095449872 375454127 /nfs/dbraw/zinc/45/41/27/375454127.db2.gz OVTVIRQJVAJDMM-CYBMUJFWSA-N 1 0 294.358 2.565 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1ccnn1C ZINC000097145330 375530582 /nfs/dbraw/zinc/53/05/82/375530582.db2.gz RSJQKFSADQOBHK-CQSZACIVSA-N 1 0 285.391 2.638 50 0 CFAARO CC(C)c1ncc(C[N@H+](C)CCc2ccncc2)cn1 ZINC000097243899 375545452 /nfs/dbraw/zinc/54/54/52/375545452.db2.gz VJARQXQERGSTAA-UHFFFAOYSA-N 1 0 270.380 2.670 50 0 CFAARO Cc1n[nH]cc1CNC1CC[NH+](Cc2ccccc2C)CC1 ZINC000097159608 375533981 /nfs/dbraw/zinc/53/39/81/375533981.db2.gz NWZCQYGLXDJIRG-UHFFFAOYSA-N 1 0 298.434 2.781 50 0 CFAARO C[C@@H](CCc1ccc(F)cc1)[NH2+]CCc1cncn1C ZINC000097164429 375534913 /nfs/dbraw/zinc/53/49/13/375534913.db2.gz BUONXKFIHKRNDS-ZDUSSCGKSA-N 1 0 275.371 2.713 50 0 CFAARO Cc1cc(N2CCC[C@@H](CCC(=O)N(C)C)C2)cc(C)[nH+]1 ZINC000096180290 375475097 /nfs/dbraw/zinc/47/50/97/375475097.db2.gz LIEOWOFSJVEEAR-HNNXBMFYSA-N 1 0 289.423 2.783 50 0 CFAARO C[C@@H]1C[C@H](C)CC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000097229532 375542300 /nfs/dbraw/zinc/54/23/00/375542300.db2.gz DQHSJIVPVKQOSD-CHWSQXEVSA-N 1 0 270.417 2.879 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccccc1 ZINC000096401600 375484978 /nfs/dbraw/zinc/48/49/78/375484978.db2.gz HXCVEZBIHDIILG-JQPIKURYSA-N 1 0 272.392 2.690 50 0 CFAARO CCNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096435676 375486464 /nfs/dbraw/zinc/48/64/64/375486464.db2.gz FJFHTMQXPUZWKL-INIZCTEOSA-N 1 0 289.423 2.560 50 0 CFAARO C[C@@H](C(=O)N(C)CCC(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000096486491 375488418 /nfs/dbraw/zinc/48/84/18/375488418.db2.gz HBDFAKOPWKXXOL-AXFHLTTASA-N 1 0 280.334 2.659 50 0 CFAARO CN1CC[C@H](C[NH2+][C@@H]2CCSC2)c2ccccc21 ZINC000096494652 375489372 /nfs/dbraw/zinc/48/93/72/375489372.db2.gz MANVLYJMQPELGV-CHWSQXEVSA-N 1 0 262.422 2.705 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)CCn1cccn1)CO2 ZINC000097049781 375504586 /nfs/dbraw/zinc/50/45/86/375504586.db2.gz XDGYZBGJADNJDY-UKRRQHHQSA-N 1 0 271.364 2.693 50 0 CFAARO Cc1ccc(C[NH2+]Cc2cccn2C)c(N2CCCC2)n1 ZINC000097080705 375508798 /nfs/dbraw/zinc/50/87/98/375508798.db2.gz PWXPTPJLZBOVAC-UHFFFAOYSA-N 1 0 284.407 2.619 50 0 CFAARO COC(=O)C(C)(C)C[NH2+]Cc1cnc2ccsc2c1 ZINC000097081547 375509280 /nfs/dbraw/zinc/50/92/80/375509280.db2.gz VSJAHVBVBICWJL-UHFFFAOYSA-N 1 0 278.377 2.585 50 0 CFAARO C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(CO)CC1 ZINC000097084277 375510265 /nfs/dbraw/zinc/51/02/65/375510265.db2.gz KGZKNPXRAPSCCC-ZDUSSCGKSA-N 1 0 265.372 2.851 50 0 CFAARO C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C[C@@H]1CCOC1 ZINC000097084449 375510438 /nfs/dbraw/zinc/51/04/38/375510438.db2.gz UXMMEAOZDRKYED-NSHDSACASA-N 1 0 281.783 2.743 50 0 CFAARO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000097085067 375511917 /nfs/dbraw/zinc/51/19/17/375511917.db2.gz SYBGXTUVBNOJCY-XKQJLSEDSA-N 1 0 269.392 2.744 50 0 CFAARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095369 375515093 /nfs/dbraw/zinc/51/50/93/375515093.db2.gz PPWORVYBTCTFMN-OLZOCXBDSA-N 1 0 258.365 2.761 50 0 CFAARO CCOC(=O)c1nc(C[NH2+][C@H]2CCCC[C@@H]2C)cs1 ZINC000097096326 375515922 /nfs/dbraw/zinc/51/59/22/375515922.db2.gz UALUALPCLLRTNG-JQWIXIFHSA-N 1 0 282.409 2.988 50 0 CFAARO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)o1 ZINC000097105583 375520499 /nfs/dbraw/zinc/52/04/99/375520499.db2.gz MSOISCPTCXZQTQ-JTQLQIEISA-N 1 0 288.185 2.777 50 0 CFAARO CC(=O)Nc1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000097113619 375525080 /nfs/dbraw/zinc/52/50/80/375525080.db2.gz WWMDWOILPRRTPC-UHFFFAOYSA-N 1 0 264.394 2.584 50 0 CFAARO Fc1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000097272571 375547184 /nfs/dbraw/zinc/54/71/84/375547184.db2.gz KDHVDWOJHBWUNU-NEPJUHHUSA-N 1 0 268.763 2.805 50 0 CFAARO C[C@@H](c1cccc(-c2cc(N)ncn2)c1)[NH+]1CCCC1 ZINC000097288871 375548398 /nfs/dbraw/zinc/54/83/98/375548398.db2.gz FGEOACYCMYCCEL-LBPRGKRZSA-N 1 0 268.364 2.883 50 0 CFAARO C[C@@H](C[NH+]1CCC(c2nnc[nH]2)CC1)c1ccccc1 ZINC000097307399 375548447 /nfs/dbraw/zinc/54/84/47/375548447.db2.gz DBDNLRXQZHIZNG-ZDUSSCGKSA-N 1 0 270.380 2.788 50 0 CFAARO CCN(CC[NH+]1CCCCCC1)Cc1cnn(CC)c1 ZINC000097324092 375550629 /nfs/dbraw/zinc/55/06/29/375550629.db2.gz XKOWLXRTPSGCQQ-UHFFFAOYSA-N 1 0 278.444 2.601 50 0 CFAARO C[C@H](CCO)[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000097373188 375552990 /nfs/dbraw/zinc/55/29/90/375552990.db2.gz NIJIOQBRMAKMQP-MLGOLLRUSA-N 1 0 274.339 2.671 50 0 CFAARO CC(=O)NCCC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000097379786 375557066 /nfs/dbraw/zinc/55/70/66/375557066.db2.gz JKRTXZYKJHTJOY-CVEARBPZSA-N 1 0 274.408 2.685 50 0 CFAARO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC=CC1 ZINC000097378878 375557391 /nfs/dbraw/zinc/55/73/91/375557391.db2.gz PPQZYQWXXYHCCV-YOEHRIQHSA-N 1 0 284.403 2.589 50 0 CFAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097546603 375567767 /nfs/dbraw/zinc/56/77/67/375567767.db2.gz REKWXBCQOTZUTI-AWEZNQCLSA-N 1 0 298.789 2.970 50 0 CFAARO Cc1nc(-c2ccn(C(F)F)n2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097602155 375571431 /nfs/dbraw/zinc/57/14/31/375571431.db2.gz JNIBXDLHNAALOX-UHFFFAOYSA-N 1 0 290.277 2.538 50 0 CFAARO FC(F)(F)Oc1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1 ZINC000097619399 375576054 /nfs/dbraw/zinc/57/60/54/375576054.db2.gz JXDNYIUODWACRL-UHFFFAOYSA-N 1 0 283.253 2.621 50 0 CFAARO CC(C)[C@@H]1C=CCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097785081 375584430 /nfs/dbraw/zinc/58/44/30/375584430.db2.gz IZXHTUBXPYHIOX-HNNXBMFYSA-N 1 0 288.391 2.912 50 0 CFAARO CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000098091096 375601816 /nfs/dbraw/zinc/60/18/16/375601816.db2.gz BWFWSLBYPKMSLX-KBPBESRZSA-N 1 0 276.380 2.596 50 0 CFAARO CCc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000257180438 190007413 /nfs/dbraw/zinc/00/74/13/190007413.db2.gz KUPUTKLWFYZULP-KRWDZBQOSA-N 1 0 286.419 2.711 50 0 CFAARO Cc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)c(C)c1 ZINC000104144881 375770153 /nfs/dbraw/zinc/77/01/53/375770153.db2.gz NZHWHEMGFDFGFL-ZDUSSCGKSA-N 1 0 260.381 2.503 50 0 CFAARO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(Oc2ccccc2)o1 ZINC000262545076 190057362 /nfs/dbraw/zinc/05/73/62/190057362.db2.gz ZYJYOYVMAFNDIW-LBPRGKRZSA-N 1 0 286.331 2.554 50 0 CFAARO CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000122588823 376933997 /nfs/dbraw/zinc/93/39/97/376933997.db2.gz UCBDFBULKJJKKJ-CABCVRRESA-N 1 0 266.429 2.803 50 0 CFAARO O=C1CCCN1CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129188223 377396310 /nfs/dbraw/zinc/39/63/10/377396310.db2.gz YNDCTXDGZJJOFZ-VXGBXAGGSA-N 1 0 292.345 2.710 50 0 CFAARO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071808793 284627398 /nfs/dbraw/zinc/62/73/98/284627398.db2.gz QARMXEHBSFVJST-OAHLLOKOSA-N 1 0 297.402 2.868 50 0 CFAARO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129522884 377438213 /nfs/dbraw/zinc/43/82/13/377438213.db2.gz MYUOTNGVBGKZPO-MNOVXSKESA-N 1 0 280.334 2.566 50 0 CFAARO C/C(=C/C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000131189576 377672453 /nfs/dbraw/zinc/67/24/53/377672453.db2.gz ZASGJOHHYVRDOL-WQTVUKCASA-N 1 0 276.355 2.569 50 0 CFAARO CC(=O)NC1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000132389890 377833411 /nfs/dbraw/zinc/83/34/11/377833411.db2.gz RIMLSEYUBNVFGN-UHFFFAOYSA-N 1 0 294.826 2.919 50 0 CFAARO CC[NH+](CC)C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000007636269 284678692 /nfs/dbraw/zinc/67/86/92/284678692.db2.gz SDCBAWHKCZPHDW-AWDGRILASA-N 1 0 295.467 2.922 50 0 CFAARO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@@H]([NH3+])C3)c2c1 ZINC000132619986 377860126 /nfs/dbraw/zinc/86/01/26/377860126.db2.gz IIZJGDQUAMJCGG-CYBMUJFWSA-N 1 0 295.386 2.594 50 0 CFAARO CC(=O)NC1CCC([NH2+]CCc2c(C)cccc2C)CC1 ZINC000133596958 377942010 /nfs/dbraw/zinc/94/20/10/377942010.db2.gz NQOQMUAFCXDQPW-UHFFFAOYSA-N 1 0 288.435 2.883 50 0 CFAARO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)Nc1ccncc1 ZINC000133673822 377948548 /nfs/dbraw/zinc/94/85/48/377948548.db2.gz XOTJZZMDEOELST-DLBZAZTESA-N 1 0 295.386 2.946 50 0 CFAARO c1ccc2c(c1)CCC[C@@]21C[C@@H]1C[NH2+]Cc1cncnc1 ZINC000151404909 378323748 /nfs/dbraw/zinc/32/37/48/378323748.db2.gz KALNASUXUJYUKF-AEFFLSMTSA-N 1 0 279.387 2.860 50 0 CFAARO C[NH+](C)C1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000169725714 379109096 /nfs/dbraw/zinc/10/90/96/379109096.db2.gz WEIDFQRNLPRCND-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cccs1 ZINC000170594415 379122123 /nfs/dbraw/zinc/12/21/23/379122123.db2.gz RZCKRNXHECJMCM-JTQLQIEISA-N 1 0 254.399 2.561 50 0 CFAARO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CCCOc1ccc(F)cc1 ZINC000170595537 379124283 /nfs/dbraw/zinc/12/42/83/379124283.db2.gz MUJXQGJJZWUKBN-CHWSQXEVSA-N 1 0 297.370 2.772 50 0 CFAARO CC(C)Cc1csc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000334343313 379125780 /nfs/dbraw/zinc/12/57/80/379125780.db2.gz LXFMPHCEZLNORT-STQMWFEESA-N 1 0 266.410 2.877 50 0 CFAARO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1 ZINC000170605296 379127497 /nfs/dbraw/zinc/12/74/97/379127497.db2.gz OTMXDCHGIGJOEJ-CQSZACIVSA-N 1 0 276.380 2.503 50 0 CFAARO CCC1CCC([N@H+](CCO)Cc2cc(C)on2)CC1 ZINC000170612239 379128846 /nfs/dbraw/zinc/12/88/46/379128846.db2.gz NYXIRCWPMXLUAL-UHFFFAOYSA-N 1 0 266.385 2.746 50 0 CFAARO CC(C)c1nn(C)c(Cl)c1C[NH2+]C1CCC(O)CC1 ZINC000048686476 412913743 /nfs/dbraw/zinc/91/37/43/412913743.db2.gz UYMDGBGGODYKSN-UHFFFAOYSA-N 1 0 285.819 2.590 50 0 CFAARO CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(-c3ccncc3)no2)C1 ZINC000289666346 381092677 /nfs/dbraw/zinc/09/26/77/381092677.db2.gz ACOPMZAULXIWIJ-OAHLLOKOSA-N 1 0 290.342 2.801 50 0 CFAARO NC(=O)[C@@H]([NH2+]CCc1ccccc1Cl)c1ccccc1 ZINC000049394239 412941648 /nfs/dbraw/zinc/94/16/48/412941648.db2.gz AKTIVJFZMDGARE-HNNXBMFYSA-N 1 0 288.778 2.699 50 0 CFAARO C[N@H+](Cc1ccncc1)Cc1cc2ccccc2[nH]c1=O ZINC000183748914 381314852 /nfs/dbraw/zinc/31/48/52/381314852.db2.gz BUBCBAICTFVBTL-UHFFFAOYSA-N 1 0 279.343 2.967 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(O)CC1 ZINC000000214034 169577343 /nfs/dbraw/zinc/57/73/43/169577343.db2.gz UICGKTQNACABIT-QGLTVNCISA-N 1 0 251.345 2.650 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 ZINC000049487898 412948657 /nfs/dbraw/zinc/94/86/57/412948657.db2.gz IQDZKPUDKYCLOI-SIFUEBAJSA-N 1 0 284.359 2.712 50 0 CFAARO Cc1ccc(OCCCCCC[NH2+]CCO)cc1 ZINC000002901517 169843540 /nfs/dbraw/zinc/84/35/40/169843540.db2.gz VCOYCUFURVJFSE-UHFFFAOYSA-N 1 0 251.370 2.516 50 0 CFAARO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)[C@H]1C[NH3+] ZINC000299741478 382042344 /nfs/dbraw/zinc/04/23/44/382042344.db2.gz FEKWLICUHGASAC-CAPXZKIUSA-N 1 0 290.382 2.515 50 0 CFAARO C[C@H](C[NH3+])Oc1cccc(CN(C)Cc2cscn2)c1 ZINC000299769181 382043242 /nfs/dbraw/zinc/04/32/42/382043242.db2.gz LCCLKUFUTSUYCB-GFCCVEGCSA-N 1 0 291.420 2.501 50 0 CFAARO CSCC[C@H]([NH3+])C(=O)NC1(c2ccccc2Cl)CC1 ZINC000299782654 382046278 /nfs/dbraw/zinc/04/62/78/382046278.db2.gz VZHAZNDUAPVEDZ-LBPRGKRZSA-N 1 0 298.839 2.526 50 0 CFAARO CSCc1noc(C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)n1 ZINC000299756234 382040980 /nfs/dbraw/zinc/04/09/80/382040980.db2.gz KFMGCASGQPYELK-NEPJUHHUSA-N 1 0 279.409 2.721 50 0 CFAARO Brc1ccc(C[NH2+][C@@H]2CCSC2)o1 ZINC000188738268 382466968 /nfs/dbraw/zinc/46/69/68/382466968.db2.gz JFXPOBWIUDWSPT-SSDOTTSWSA-N 1 0 262.172 2.637 50 0 CFAARO CC(C)[C@H](c1ccc(F)cc1)N(C)Cc1ncnn1C ZINC000390835274 382619652 /nfs/dbraw/zinc/61/96/52/382619652.db2.gz ITOSPDKAEIGZFY-OAHLLOKOSA-N 1 0 276.359 2.783 50 0 CFAARO FC(F)COCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000189533382 382621269 /nfs/dbraw/zinc/62/12/69/382621269.db2.gz DFNTVXLDZGQFEA-WDEREUQCSA-N 1 0 265.369 2.628 50 0 CFAARO CCC1(CC)CCC[N@H+](Cc2ncnn2C)CC1 ZINC000190413966 382667065 /nfs/dbraw/zinc/66/70/65/382667065.db2.gz KBXUYKSNUIXSTP-UHFFFAOYSA-N 1 0 250.390 2.607 50 0 CFAARO Cc1ccc(C[NH2+][C@@H](C)CCS(C)(=O)=O)cc1Cl ZINC000195446117 382768172 /nfs/dbraw/zinc/76/81/72/382768172.db2.gz LAMWZWMLCRQGAJ-NSHDSACASA-N 1 0 289.828 2.561 50 0 CFAARO [NH3+]CCCC(=O)N1CCC[C@@H]1[C@@H]1CCCc2ccccc21 ZINC000195542482 382769147 /nfs/dbraw/zinc/76/91/47/382769147.db2.gz YCEHFSADVDDUHS-IAGOWNOFSA-N 1 0 286.419 2.836 50 0 CFAARO C[C@@H](C[N@@H+]1CCC[C@@H](CCC(N)=O)C1)c1ccc(F)cc1 ZINC000195572865 382769993 /nfs/dbraw/zinc/76/99/93/382769993.db2.gz HOTWVCPWLUFHAV-KBPBESRZSA-N 1 0 292.398 2.907 50 0 CFAARO C[C@@H]1CN(Cc2cc(F)ccc2-n2cccn2)C[C@H](C)O1 ZINC000219780929 382794456 /nfs/dbraw/zinc/79/44/56/382794456.db2.gz OWLASCMFGFOYEW-BETUJISGSA-N 1 0 289.354 2.621 50 0 CFAARO CSc1ccccc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000215321694 382778448 /nfs/dbraw/zinc/77/84/48/382778448.db2.gz DLQSWMANKULAKF-ZDUSSCGKSA-N 1 0 288.420 2.906 50 0 CFAARO Cc1nc[nH]c1CN1CCCC[C@H]1c1ccccn1 ZINC000215411333 382778553 /nfs/dbraw/zinc/77/85/53/382778553.db2.gz NIIYEISGRIAUML-HNNXBMFYSA-N 1 0 256.353 2.840 50 0 CFAARO CCCn1ncc(C[N@H+](C)C[C@@H](O)c2ccccc2)c1C ZINC000215703756 382780160 /nfs/dbraw/zinc/78/01/60/382780160.db2.gz PLLHARMIDSTDHI-QGZVFWFLSA-N 1 0 287.407 2.767 50 0 CFAARO COC[C@H]1CC[N@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000215789661 382780234 /nfs/dbraw/zinc/78/02/34/382780234.db2.gz OQGHDKBGXZBTQN-KRWDZBQOSA-N 1 0 299.418 2.957 50 0 CFAARO CCOc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)cc1CO ZINC000215920476 382781286 /nfs/dbraw/zinc/78/12/86/382781286.db2.gz YFLWAEYSNZNBQP-INIZCTEOSA-N 1 0 293.407 2.579 50 0 CFAARO Cc1c[nH]c(CN(C)Cc2cccc([C@H](C)[NH+](C)C)c2)n1 ZINC000216098372 382782130 /nfs/dbraw/zinc/78/21/30/382782130.db2.gz JJRIYHIXUVTQDE-AWEZNQCLSA-N 1 0 286.423 2.973 50 0 CFAARO C[NH+](C)[C@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000216280583 382782619 /nfs/dbraw/zinc/78/26/19/382782619.db2.gz MIOMBGWDYDFNFW-AWEZNQCLSA-N 1 0 287.432 2.946 50 0 CFAARO COCc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)ccc1OC ZINC000216509012 382783588 /nfs/dbraw/zinc/78/35/88/382783588.db2.gz DWOMIMGFZZRNFR-CVEARBPZSA-N 1 0 293.407 2.577 50 0 CFAARO O=C(CN1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000220965086 382796709 /nfs/dbraw/zinc/79/67/09/382796709.db2.gz BIGDHPOKJKJPGJ-UHFFFAOYSA-N 1 0 286.419 2.820 50 0 CFAARO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000222488167 382802138 /nfs/dbraw/zinc/80/21/38/382802138.db2.gz YNHPVKYUSWWEAF-LEOABGAYSA-N 1 0 269.429 2.530 50 0 CFAARO CCN(CC[NH+]1CCCC1)Cc1ccnc(C(C)C)n1 ZINC000223419212 382805358 /nfs/dbraw/zinc/80/53/58/382805358.db2.gz XRLSTLSQXHMOGK-UHFFFAOYSA-N 1 0 276.428 2.518 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000225228597 382813622 /nfs/dbraw/zinc/81/36/22/382813622.db2.gz XQDKPUIIDNGSCQ-ZFWWWQNUSA-N 1 0 274.364 2.744 50 0 CFAARO CCn1nc(C[NH2+][C@H]2CCSC2)c2ccccc21 ZINC000225360083 382814699 /nfs/dbraw/zinc/81/46/99/382814699.db2.gz WQDLRBRCRCWYDN-NSHDSACASA-N 1 0 261.394 2.651 50 0 CFAARO CC(C)N(C(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000225505411 382817451 /nfs/dbraw/zinc/81/74/51/382817451.db2.gz CKPQKYGRALSJLZ-HNNXBMFYSA-N 1 0 293.386 2.796 50 0 CFAARO CC(C)(C)OC(=O)NC[C@H]([NH2+]CC1CC1)C(C)(C)C ZINC000225589400 382818737 /nfs/dbraw/zinc/81/87/37/382818737.db2.gz IBFDBQKJDDGXML-LBPRGKRZSA-N 1 0 270.417 2.925 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]12)c1occc1-c1ccccc1 ZINC000229374123 382851262 /nfs/dbraw/zinc/85/12/62/382851262.db2.gz CIMMISOHPHCQOA-CVEARBPZSA-N 1 0 296.370 2.913 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C2CCCCC2)C1 ZINC000227812593 382840902 /nfs/dbraw/zinc/84/09/02/382840902.db2.gz GERNVYCTUDTLBA-RRFJBIMHSA-N 1 0 264.413 2.685 50 0 CFAARO CN1CCN(C(=O)/C=C\c2ccco2)[C@@H](c2ccccc2)C1 ZINC000229767465 382853296 /nfs/dbraw/zinc/85/32/96/382853296.db2.gz QRUMVTVVSGEMER-DOOKAGJSSA-N 1 0 296.370 2.808 50 0 CFAARO Cc1cccc([C@@H](C)CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000237530463 382964198 /nfs/dbraw/zinc/96/41/98/382964198.db2.gz PUUXKUCJCSFYEN-AWEZNQCLSA-N 1 0 274.408 2.604 50 0 CFAARO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)c(Cl)cc1F ZINC000237098430 382950273 /nfs/dbraw/zinc/95/02/73/382950273.db2.gz ROLHFIILVKRDKE-UHFFFAOYSA-N 1 0 284.762 2.612 50 0 CFAARO C[C@@H](CCc1ccccc1F)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237348720 382957192 /nfs/dbraw/zinc/95/71/92/382957192.db2.gz HZHUJLMHYGMUEP-DZGCQCFKSA-N 1 0 292.398 2.734 50 0 CFAARO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)[C@@H]1C[NH3+] ZINC000237417507 382959506 /nfs/dbraw/zinc/95/95/06/382959506.db2.gz FEKWLICUHGASAC-RAEVTNRLSA-N 1 0 290.382 2.515 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3)n2)[C@H]1C[NH3+] ZINC000237453568 382960906 /nfs/dbraw/zinc/96/09/06/382960906.db2.gz ZFMYGKKTHCHRJR-DOMZBBRYSA-N 1 0 299.374 2.541 50 0 CFAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000237469628 382962152 /nfs/dbraw/zinc/96/21/52/382962152.db2.gz SQCBPAKVNTWMML-YPMHNXCESA-N 1 0 296.361 2.626 50 0 CFAARO C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1cc2ccccc2o1 ZINC000237504793 382963128 /nfs/dbraw/zinc/96/31/28/382963128.db2.gz YVBBBFSQCWHIAM-OBJOEFQTSA-N 1 0 286.375 2.875 50 0 CFAARO Cc1ccc2cc(C(=O)N3CCCC[C@@H]3C[NH3+])c(C)nc2c1 ZINC000237887872 382973314 /nfs/dbraw/zinc/97/33/14/382973314.db2.gz UWHLQSGKWLIRON-OAHLLOKOSA-N 1 0 297.402 2.805 50 0 CFAARO Cn1cncc1C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000237933675 382974071 /nfs/dbraw/zinc/97/40/71/382974071.db2.gz KBTJMTNQCIPPAQ-QGZVFWFLSA-N 1 0 298.434 2.564 50 0 CFAARO Cn1cncc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000237932184 382974128 /nfs/dbraw/zinc/97/41/28/382974128.db2.gz DOPMFMAZTXDLFD-DOTOQJQBSA-N 1 0 285.391 2.678 50 0 CFAARO [NH3+][C@@H]1CCN(C(=O)c2ccccc2CCc2ccccc2)C1 ZINC000237923766 382974353 /nfs/dbraw/zinc/97/43/53/382974353.db2.gz LOFWEWYAINDMMS-QGZVFWFLSA-N 1 0 294.398 2.645 50 0 CFAARO O=C(NC1(c2ccccc2)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000237984099 382976514 /nfs/dbraw/zinc/97/65/14/382976514.db2.gz BSKZEHKGXDHEHN-AWEZNQCLSA-N 1 0 272.392 2.572 50 0 CFAARO O[C@H](CN1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000241588398 382983663 /nfs/dbraw/zinc/98/36/63/382983663.db2.gz PCVVMXQGOFVSSV-JKSUJKDBSA-N 1 0 294.826 2.544 50 0 CFAARO CCCO[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000242156013 382984521 /nfs/dbraw/zinc/98/45/21/382984521.db2.gz WVBLTBAGBRACKT-NWDGAFQWSA-N 1 0 283.334 2.581 50 0 CFAARO Clc1ccccc1N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000243893250 382988021 /nfs/dbraw/zinc/98/80/21/382988021.db2.gz APSWWEOHEFSKJR-CQSZACIVSA-N 1 0 294.826 2.889 50 0 CFAARO C[N@H+](CCC[C@H]1CCCO1)CCn1cnc2ccccc21 ZINC000244633553 382989030 /nfs/dbraw/zinc/98/90/30/382989030.db2.gz GEVQCIQMHJEYBP-HNNXBMFYSA-N 1 0 287.407 2.927 50 0 CFAARO CCn1cncc1C[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000244734661 382990925 /nfs/dbraw/zinc/99/09/25/382990925.db2.gz NJQBJCKHGOCCRQ-CQSZACIVSA-N 1 0 287.407 2.975 50 0 CFAARO CCOc1c(C[N@H+](C)C[C@@H]2CCCOC2)cccc1OC ZINC000244816933 382993344 /nfs/dbraw/zinc/99/33/44/382993344.db2.gz SRIWJKGVYAHKLI-AWEZNQCLSA-N 1 0 293.407 2.952 50 0 CFAARO CCOc1c(C[N@H+](C)C[C@H]2CCCOC2)cccc1OC ZINC000244816934 382993510 /nfs/dbraw/zinc/99/35/10/382993510.db2.gz SRIWJKGVYAHKLI-CQSZACIVSA-N 1 0 293.407 2.952 50 0 CFAARO CCN(Cc1noc(C2CCC2)n1)C[C@H]1CCCOC1 ZINC000244872964 382994304 /nfs/dbraw/zinc/99/43/04/382994304.db2.gz WHOBMZSMNCTBAH-GFCCVEGCSA-N 1 0 279.384 2.586 50 0 CFAARO CCC[N@H+](Cc1cscn1)[C@@H]1CCCC[C@H]1O ZINC000244874582 382994394 /nfs/dbraw/zinc/99/43/94/382994394.db2.gz XDQMLDQDARLEKD-CHWSQXEVSA-N 1 0 254.399 2.659 50 0 CFAARO CN(Cc1cncn1Cc1ccccc1)C[C@H]1CCCCO1 ZINC000244874190 382994611 /nfs/dbraw/zinc/99/46/11/382994611.db2.gz WWGGSNHNVXYHOU-GOSISDBHSA-N 1 0 299.418 2.932 50 0 CFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1ccncc1C ZINC000244899627 382994665 /nfs/dbraw/zinc/99/46/65/382994665.db2.gz ZNAAAOKDYYKWEA-UHFFFAOYSA-N 1 0 272.396 2.795 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000245237015 382997101 /nfs/dbraw/zinc/99/71/01/382997101.db2.gz BIQNAFLHOPXADW-FVQBIDKESA-N 1 0 274.408 2.842 50 0 CFAARO C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000245883472 383043520 /nfs/dbraw/zinc/04/35/20/383043520.db2.gz LBOFAMOQSRRPAB-FICVDOATSA-N 1 0 292.448 2.684 50 0 CFAARO C[C@@]1(C[NH2+]Cc2nncn2-c2ccccc2)CCCS1 ZINC000583650739 383091934 /nfs/dbraw/zinc/09/19/34/383091934.db2.gz ABABZGVCTKHIIL-HNNXBMFYSA-N 1 0 288.420 2.643 50 0 CFAARO CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)CC1 ZINC000585117402 383115258 /nfs/dbraw/zinc/11/52/58/383115258.db2.gz AYJYDTQBQZQFIM-DJIMGWMZSA-N 1 0 281.440 2.889 50 0 CFAARO CC(C)(C)O[C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCC2 ZINC000585116632 383115263 /nfs/dbraw/zinc/11/52/63/383115263.db2.gz CWXRKVZMOTYLFN-XGUBFFRZSA-N 1 0 279.424 2.639 50 0 CFAARO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000248151298 383214104 /nfs/dbraw/zinc/21/41/04/383214104.db2.gz BJSMNHLRNRSLEO-WBVHZDCISA-N 1 0 284.407 2.764 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000248113022 383211705 /nfs/dbraw/zinc/21/17/05/383211705.db2.gz HXCSZFBHJUHVJO-LSDHHAIUSA-N 1 0 294.345 2.664 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000248163009 383217253 /nfs/dbraw/zinc/21/72/53/383217253.db2.gz YMQDHCHTEKPRHO-LSDHHAIUSA-N 1 0 276.355 2.525 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)NCc2cccnc2)C[C@H]1C ZINC000248658225 383279893 /nfs/dbraw/zinc/27/98/93/383279893.db2.gz XTIJTZFFCJHQNY-IIAWOOMASA-N 1 0 289.423 2.502 50 0 CFAARO CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249284443 383337072 /nfs/dbraw/zinc/33/70/72/383337072.db2.gz OTLSLQGKRZCMHJ-SDDRHHMPSA-N 1 0 264.335 2.791 50 0 CFAARO C[C@@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1O ZINC000248724688 383285356 /nfs/dbraw/zinc/28/53/56/383285356.db2.gz HSOQKXXJDBRQPB-UKRRQHHQSA-N 1 0 265.422 2.623 50 0 CFAARO C[C@@H](C(=O)NCc1cccc2[nH]ccc21)[NH+]1CCC(C)CC1 ZINC000252505682 383415436 /nfs/dbraw/zinc/41/54/36/383415436.db2.gz VSOGLGUFIHNVEX-AWEZNQCLSA-N 1 0 299.418 2.905 50 0 CFAARO Cn1c(SCCCCCF)nnc1C1CC[NH2+]CC1 ZINC000426548746 383405885 /nfs/dbraw/zinc/40/58/85/383405885.db2.gz IRFWYSIBXTVDRI-UHFFFAOYSA-N 1 0 286.420 2.514 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000426544394 383405902 /nfs/dbraw/zinc/40/59/02/383405902.db2.gz NSVUJZYKMCRRDO-CYBMUJFWSA-N 1 0 286.423 2.835 50 0 CFAARO O=C(c1ccc(-c2ccsc2)cc1)N1CCC[NH2+]CC1 ZINC000426612872 383407078 /nfs/dbraw/zinc/40/70/78/383407078.db2.gz PLSXOYZOYBVFAT-UHFFFAOYSA-N 1 0 286.400 2.851 50 0 CFAARO Clc1ccc2c(c1)ncnc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252452815 383408102 /nfs/dbraw/zinc/40/81/02/383408102.db2.gz GCQBYOSHPFWXSL-LBPRGKRZSA-N 1 0 288.782 2.568 50 0 CFAARO Cc1cc(CNC(=O)CC[C@H](C)[NH+]2CCCC2)cnc1C ZINC000426661386 383409153 /nfs/dbraw/zinc/40/91/53/383409153.db2.gz USJPXKTWOKRQRN-AWEZNQCLSA-N 1 0 289.423 2.579 50 0 CFAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccn(C)c1C ZINC000426705915 383410465 /nfs/dbraw/zinc/41/04/65/383410465.db2.gz VZNSVMCNYUYEEN-UHFFFAOYSA-N 1 0 291.439 2.672 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2scc(C)c2Cl)CC1 ZINC000252488386 383412994 /nfs/dbraw/zinc/41/29/94/383412994.db2.gz IQVIOQSJHBJBKB-UHFFFAOYSA-N 1 0 286.828 2.924 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCCC1 ZINC000249695529 383356728 /nfs/dbraw/zinc/35/67/28/383356728.db2.gz QWYOTPGLUBJPNG-HUUCEWRRSA-N 1 0 264.413 2.652 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000250220483 383373691 /nfs/dbraw/zinc/37/36/91/383373691.db2.gz DRVBCMIKNHMZNH-GDBMZVCRSA-N 1 0 276.424 2.787 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000252499843 383414342 /nfs/dbraw/zinc/41/43/42/383414342.db2.gz SGFOQLNPDFCENT-LLVKDONJSA-N 1 0 268.430 2.516 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cccc(C(F)(F)F)c2)C1 ZINC000255394747 383480795 /nfs/dbraw/zinc/48/07/95/383480795.db2.gz MTOKPAQRZUODEP-QMAVJUDZSA-N 1 0 298.308 2.526 50 0 CFAARO C[C@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000253370555 383453422 /nfs/dbraw/zinc/45/34/22/383453422.db2.gz SKJMCQFHCJMJCI-KBMXLJTQSA-N 1 0 295.448 2.593 50 0 CFAARO CC(C)C(C[NH2+]C[C@@H]1CCn2ccnc2C1)C(C)C ZINC000253416461 383456906 /nfs/dbraw/zinc/45/69/06/383456906.db2.gz DTPCWOPGJVFRNI-CQSZACIVSA-N 1 0 263.429 2.963 50 0 CFAARO CC(C)C(C[NH2+]C[C@H]1CCn2ccnc2C1)C(C)C ZINC000253416459 383457371 /nfs/dbraw/zinc/45/73/71/383457371.db2.gz DTPCWOPGJVFRNI-AWEZNQCLSA-N 1 0 263.429 2.963 50 0 CFAARO Cc1cc(CN2CC[NH+](CC34CCC(CC3)C4)CC2)no1 ZINC000253428433 383458534 /nfs/dbraw/zinc/45/85/34/383458534.db2.gz JVJIBGJSPPNAKW-UHFFFAOYSA-N 1 0 289.423 2.681 50 0 CFAARO COc1ccccc1/C=C\C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000254619524 383469521 /nfs/dbraw/zinc/46/95/21/383469521.db2.gz SJNWXVCHVFBTGA-VZFGUZNESA-N 1 0 261.365 2.866 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)/C=C\c2cccc(C(F)(F)F)c2)C1 ZINC000255263190 383478918 /nfs/dbraw/zinc/47/89/18/383478918.db2.gz VLSGHWYVEXNSLY-FWWRYZNZSA-N 1 0 298.308 2.668 50 0 CFAARO C[N@H+](CCO[C@H]1CCCCO1)[C@@H]1CCCc2cccnc21 ZINC000252532954 383417066 /nfs/dbraw/zinc/41/70/66/383417066.db2.gz FOBPHXPSBSXFRX-CVEARBPZSA-N 1 0 290.407 2.934 50 0 CFAARO O=C1NCC[C@@H]1[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000097034250 296376680 /nfs/dbraw/zinc/37/66/80/296376680.db2.gz QIITXZNLHOHVHD-STQMWFEESA-N 1 0 298.308 2.635 50 0 CFAARO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCn1ccnc1 ZINC000289357429 197309973 /nfs/dbraw/zinc/30/99/73/197309973.db2.gz GVKWFWSACJUPDB-MRXNPFEDSA-N 1 0 273.380 2.975 50 0 CFAARO CCCOc1cncc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000638583031 384756903 /nfs/dbraw/zinc/75/69/03/384756903.db2.gz GLESMTJPRQYPHM-KRWDZBQOSA-N 1 0 299.374 2.683 50 0 CFAARO CC(C)n1cc(C[NH2+][C@]2(CO)CCCc3ccccc32)cn1 ZINC000282233730 385255208 /nfs/dbraw/zinc/25/52/08/385255208.db2.gz FQOOTLWBIZZWSP-SFHVURJKSA-N 1 0 299.418 2.778 50 0 CFAARO COCC1(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CCC1 ZINC000639271649 385399911 /nfs/dbraw/zinc/39/99/11/385399911.db2.gz GKQQSAPWZLFIBF-HNNXBMFYSA-N 1 0 292.398 2.811 50 0 CFAARO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000639970104 385799015 /nfs/dbraw/zinc/79/90/15/385799015.db2.gz JFMYMEUIHADXOX-UHFFFAOYSA-N 1 0 281.363 2.536 50 0 CFAARO OCC[C@@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCOC1 ZINC000095985082 285265055 /nfs/dbraw/zinc/26/50/55/285265055.db2.gz KSWAKXQHLFUHKX-SJORKVTESA-N 1 0 293.382 2.582 50 0 CFAARO C[N@H+](CCOC[C@@H]1CCCO1)Cc1ccc(F)c(F)c1 ZINC000096421062 256760817 /nfs/dbraw/zinc/76/08/17/256760817.db2.gz DRGBEOGUPDAYBY-ZDUSSCGKSA-N 1 0 285.334 2.592 50 0 CFAARO Cc1cc(NS(=O)(=O)/C=C\c2ccccc2)cc[nH+]1 ZINC000096405760 256782087 /nfs/dbraw/zinc/78/20/87/256782087.db2.gz MHXCUIOTNHCRAG-NTMALXAHSA-N 1 0 274.345 2.803 50 0 CFAARO COCC[C@@H]1C[N@@H+](C2CCCCCCC2)CCO1 ZINC000824384105 781991613 /nfs/dbraw/zinc/99/16/13/781991613.db2.gz GHOPTNMULHRCRR-OAHLLOKOSA-N 1 0 255.402 2.837 50 0 CFAARO COc1ccccc1C[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000000757877 169678072 /nfs/dbraw/zinc/67/80/72/169678072.db2.gz CRPCKFZUPSWQSR-LRVUVFPRSA-N 1 0 263.381 2.519 50 0 CFAARO O=C(c1ccco1)N1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000095419933 184975173 /nfs/dbraw/zinc/97/51/73/184975173.db2.gz IWTCTMOJSNYNJZ-UHFFFAOYSA-N 1 0 288.391 2.662 50 0 CFAARO Cc1cccc([C@@H](C)C[NH2+][C@H](C)CCn2cncn2)c1 ZINC000095423086 184977494 /nfs/dbraw/zinc/97/74/94/184977494.db2.gz BZVDIAQLQZVTAA-LSDHHAIUSA-N 1 0 272.396 2.758 50 0 CFAARO Cc1nc(C[N@@H+]2CCCCC[C@H]2CCO)cs1 ZINC000342033212 130249293 /nfs/dbraw/zinc/24/92/93/130249293.db2.gz NLXNGKGYSLLHRM-ZDUSSCGKSA-N 1 0 254.399 2.579 50 0 CFAARO c1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc3c(c1)OCCO3)CO2 ZINC000020166102 285515016 /nfs/dbraw/zinc/51/50/16/285515016.db2.gz ZNFMWPAATKRBGL-OAHLLOKOSA-N 1 0 297.354 2.551 50 0 CFAARO CC(C)N(C(=O)Cn1ccc(=[NH2+])c2ccccc21)C(C)C ZINC000000226174 393449717 /nfs/dbraw/zinc/44/97/17/393449717.db2.gz IOAQCZIXQLANJC-UHFFFAOYSA-N 1 0 285.391 2.766 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](C2CCCCC2)N1 ZINC000007126115 393465960 /nfs/dbraw/zinc/46/59/60/393465960.db2.gz ITUVGSUPJLAJKY-CYBMUJFWSA-N 1 0 269.352 2.665 50 0 CFAARO c1coc(C[NH+]2CCC(Cn3cc(C4CC4)nn3)CC2)c1 ZINC000020638163 393485849 /nfs/dbraw/zinc/48/58/49/393485849.db2.gz ZVYUIFIOYDURDP-UHFFFAOYSA-N 1 0 286.379 2.661 50 0 CFAARO Cc1nc(C[NH2+][C@@H]2COc3ccccc3C2)cs1 ZINC000020774078 393487769 /nfs/dbraw/zinc/48/77/69/393487769.db2.gz QSLHFFITILCFGD-LBPRGKRZSA-N 1 0 260.362 2.545 50 0 CFAARO Fc1cc([C@@H]2C[NH2+]CCO2)c(Cl)cc1Cl ZINC000037735194 393533231 /nfs/dbraw/zinc/53/32/31/393533231.db2.gz FLADAOLOZKSSFB-JTQLQIEISA-N 1 0 250.100 2.793 50 0 CFAARO C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000058244493 393624282 /nfs/dbraw/zinc/62/42/82/393624282.db2.gz MPGBNJKPYBAROJ-UHFFFAOYSA-N 1 0 297.196 2.729 50 0 CFAARO Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1C ZINC000063192676 393628169 /nfs/dbraw/zinc/62/81/69/393628169.db2.gz JZSWDWIRWOPOFE-UKRRQHHQSA-N 1 0 260.381 2.645 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@@H](C)Cn2nc(C)cc2C)c1C ZINC000065381926 393630748 /nfs/dbraw/zinc/63/07/48/393630748.db2.gz UAGBJFSUKNEDRJ-LBPRGKRZSA-N 1 0 289.427 2.511 50 0 CFAARO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C1CC1 ZINC000065473360 393631354 /nfs/dbraw/zinc/63/13/54/393631354.db2.gz WUKZGNWMPGUTLC-CYBMUJFWSA-N 1 0 278.421 2.678 50 0 CFAARO FC(F)(F)c1ccnc(-c2cccc3c2CC[NH2+]C3)n1 ZINC000071770941 393641470 /nfs/dbraw/zinc/64/14/70/393641470.db2.gz DYIWCCVMMRHVQX-UHFFFAOYSA-N 1 0 279.265 2.808 50 0 CFAARO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000194937541 393724334 /nfs/dbraw/zinc/72/43/34/393724334.db2.gz YLOFCJPXQFIVPT-HNNXBMFYSA-N 1 0 279.384 2.728 50 0 CFAARO O=C(c1cc(F)ccc1Cl)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000223296138 393765386 /nfs/dbraw/zinc/76/53/86/393765386.db2.gz CRXGSGUMPDFGOO-OAHLLOKOSA-N 1 0 296.773 2.695 50 0 CFAARO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000225621796 393768838 /nfs/dbraw/zinc/76/88/38/393768838.db2.gz BMLKPBJNXKZGNN-SVGFKBNWSA-N 1 0 277.408 2.903 50 0 CFAARO CC(C)c1ccc([C@H](C)[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000096501972 393835283 /nfs/dbraw/zinc/83/52/83/393835283.db2.gz NWSNLKFCOBAPNK-AWEZNQCLSA-N 1 0 289.423 2.957 50 0 CFAARO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000239672510 393798053 /nfs/dbraw/zinc/79/80/53/393798053.db2.gz BTNIYVUXEIFSGC-XUWVNRHRSA-N 1 0 295.471 2.985 50 0 CFAARO CC(C)[C@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093444166 393799393 /nfs/dbraw/zinc/79/93/93/393799393.db2.gz JFTSNYJVJZHMNO-CYBMUJFWSA-N 1 0 266.410 2.858 50 0 CFAARO C[NH+](C)Cc1ccc(NC(=O)/C=C\c2ccco2)cc1 ZINC000096157992 393815909 /nfs/dbraw/zinc/81/59/09/393815909.db2.gz LAXVUUIBLLNGDG-KTKRTIGZSA-N 1 0 270.332 2.993 50 0 CFAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000096403683 393820869 /nfs/dbraw/zinc/82/08/69/393820869.db2.gz UMJLYBUXPMJFNE-OAHLLOKOSA-N 1 0 296.370 2.814 50 0 CFAARO NC(=O)CC1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000096419557 393827072 /nfs/dbraw/zinc/82/70/72/393827072.db2.gz CVAPBRSDZHABOV-UHFFFAOYSA-N 1 0 294.826 2.860 50 0 CFAARO CC[NH+](CC)CC(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000096421768 393828196 /nfs/dbraw/zinc/82/81/96/393828196.db2.gz GSQLZUGUPORPMH-JSGCOSHPSA-N 1 0 280.437 2.794 50 0 CFAARO OCCCC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000096421785 393828429 /nfs/dbraw/zinc/82/84/29/393828429.db2.gz HEIOFGUURCWJAR-UHFFFAOYSA-N 1 0 297.782 2.806 50 0 CFAARO CCC[N@H+](C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000115538136 393904668 /nfs/dbraw/zinc/90/46/68/393904668.db2.gz WMVQAGGYLJQQBY-CQSZACIVSA-N 1 0 264.344 2.663 50 0 CFAARO Cc1cc([C@@H](C)NCC(=O)Nc2nccs2)c(C)o1 ZINC000097112021 393840683 /nfs/dbraw/zinc/84/06/83/393840683.db2.gz LGRPZZVKZJQXJH-SECBINFHSA-N 1 0 279.365 2.642 50 0 CFAARO C[C@H]1CCC[C@H]1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102914676 393853012 /nfs/dbraw/zinc/85/30/12/393853012.db2.gz YNHPVKYUSWWEAF-XFIYOXNOSA-N 1 0 269.429 2.530 50 0 CFAARO c1nnc(C[NH2+][C@@H]2CCC23CCC3)n1-c1ccccc1 ZINC000281957296 394101125 /nfs/dbraw/zinc/10/11/25/394101125.db2.gz AUMCYWOVYLCEER-CQSZACIVSA-N 1 0 268.364 2.690 50 0 CFAARO CCOC1CC2(C1)CC[N@H+](CCc1ccncc1)C2 ZINC000285504913 394144213 /nfs/dbraw/zinc/14/42/13/394144213.db2.gz NMOJVZOTVVWIIB-UHFFFAOYSA-N 1 0 260.381 2.515 50 0 CFAARO c1ccc(CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc1 ZINC000170052747 394371305 /nfs/dbraw/zinc/37/13/05/394371305.db2.gz SDVBMTWDSIFQKD-IBGZPJMESA-N 1 0 294.398 2.798 50 0 CFAARO [NH3+]C1(CC(=O)N2CCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000170048692 394371343 /nfs/dbraw/zinc/37/13/43/394371343.db2.gz ZAAVVJVWJCDTCA-CQSZACIVSA-N 1 0 276.355 2.761 50 0 CFAARO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732283 135059927 /nfs/dbraw/zinc/05/99/27/135059927.db2.gz QFAFXPKXIWHURV-NVXWUHKLSA-N 1 0 294.402 2.723 50 0 CFAARO c1ccc([C@H]2CN(c3cc(C4CC4)ncn3)CC[NH2+]2)cc1 ZINC000091876928 135073775 /nfs/dbraw/zinc/07/37/75/135073775.db2.gz URZFUKFRJLMGFG-MRXNPFEDSA-N 1 0 280.375 2.505 50 0 CFAARO CCn1ccnc1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000092037939 135075313 /nfs/dbraw/zinc/07/53/13/135075313.db2.gz FIZOSOXQORLJTR-ZDUSSCGKSA-N 1 0 256.353 2.682 50 0 CFAARO Cc1ccccc1CC(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916038 543032650 /nfs/dbraw/zinc/03/26/50/543032650.db2.gz OGKOLBXNCUELGO-QGZVFWFLSA-N 1 0 286.419 2.528 50 0 CFAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nncn2CC1 ZINC000011870996 397538448 /nfs/dbraw/zinc/53/84/48/397538448.db2.gz KLIMHZJCOYNFPG-CQSZACIVSA-N 1 0 262.401 2.519 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccco1)c1cccs1 ZINC000103281884 397595222 /nfs/dbraw/zinc/59/52/22/397595222.db2.gz APHOGGVXWRDQRQ-WSROAFLRSA-N 1 0 290.388 2.773 50 0 CFAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2cccc3nonc32)n1 ZINC000215113067 397619184 /nfs/dbraw/zinc/61/91/84/397619184.db2.gz ZCCFVGGQOWYMFK-UHFFFAOYSA-N 1 0 299.378 2.558 50 0 CFAARO CCOCCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000229694943 286059911 /nfs/dbraw/zinc/05/99/11/286059911.db2.gz KHKHBMOJXSMUPN-GJZGRUSLSA-N 1 0 298.471 2.676 50 0 CFAARO CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000374753946 157154799 /nfs/dbraw/zinc/15/47/99/157154799.db2.gz VDHPVMGGUPLIBT-PESDSKBTSA-N 1 0 290.382 2.719 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)[C@H](C)C2 ZINC000252585396 292367645 /nfs/dbraw/zinc/36/76/45/292367645.db2.gz IGQDMTPCLDCTMJ-UESRRSCYSA-N 1 0 279.449 2.975 50 0 CFAARO c1csc([C@@H]([NH2+]C2CCC3(CC2)OCCO3)C2CC2)n1 ZINC000156050076 304862252 /nfs/dbraw/zinc/86/22/52/304862252.db2.gz KAXSICBWYQDOAM-ZDUSSCGKSA-N 1 0 294.420 2.870 50 0 CFAARO Cc1ccc2nc(C[N@@H+]([C@H](C)C3CC3)C3CC3)cc(=O)n2c1 ZINC000031654327 292389909 /nfs/dbraw/zinc/38/99/09/292389909.db2.gz MSUHECUYRBXXHQ-CYBMUJFWSA-N 1 0 297.402 2.766 50 0 CFAARO CC[C@@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000182051178 286945443 /nfs/dbraw/zinc/94/54/43/286945443.db2.gz PIZVUHKMJMEDQM-UKRRQHHQSA-N 1 0 251.370 2.753 50 0 CFAARO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000002546131 169806950 /nfs/dbraw/zinc/80/69/50/169806950.db2.gz KDBWMCGWFKBCFT-KBPBESRZSA-N 1 0 276.380 2.575 50 0 CFAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000004744654 170010638 /nfs/dbraw/zinc/01/06/38/170010638.db2.gz YXPRWBPEDVSELI-GFCCVEGCSA-N 1 0 264.344 2.886 50 0 CFAARO COc1ccc(OC[C@@H](O)C[NH+](C(C)C)C(C)C)cc1 ZINC000004819468 170022442 /nfs/dbraw/zinc/02/24/42/170022442.db2.gz VIHMBMJNUWGNBD-AWEZNQCLSA-N 1 0 281.396 2.554 50 0 CFAARO CCCCOc1c(Cl)cc(C[NH2+]CCO)cc1OC ZINC000004868283 170034350 /nfs/dbraw/zinc/03/43/50/170034350.db2.gz ZNJHBIHJUSAZRX-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO CCOc1cccc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)c1 ZINC000004869233 170034355 /nfs/dbraw/zinc/03/43/55/170034355.db2.gz ZBPVXFUYSMJARC-QZFKAFNDSA-N 1 0 259.349 2.513 50 0 CFAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OC ZINC000005019253 170056808 /nfs/dbraw/zinc/05/68/08/170056808.db2.gz APSUPCFZEGBKOH-LLVKDONJSA-N 1 0 285.771 2.626 50 0 CFAARO [NH3+]CCc1nnc(SCc2ccccc2Cl)o1 ZINC000005025426 170057210 /nfs/dbraw/zinc/05/72/10/170057210.db2.gz KMYZYJAVOQXURK-UHFFFAOYSA-N 1 0 269.757 2.517 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000005051409 170061366 /nfs/dbraw/zinc/06/13/66/170061366.db2.gz ULKRONYQGUYPJU-INMHGKMJSA-N 1 0 277.408 2.542 50 0 CFAARO CC[NH+](CC)CCNc1ncnc2oc(C)c(C)c21 ZINC000005347028 170088454 /nfs/dbraw/zinc/08/84/54/170088454.db2.gz RGCHUYSSOMFDJX-UHFFFAOYSA-N 1 0 262.357 2.593 50 0 CFAARO C[C@H](O)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000005911926 170154456 /nfs/dbraw/zinc/15/44/56/170154456.db2.gz YSQMSOZMQJHELD-AWEZNQCLSA-N 1 0 271.360 2.736 50 0 CFAARO O=C(NCc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000006252144 170185586 /nfs/dbraw/zinc/18/55/86/170185586.db2.gz XQOXORDWUICBCW-UHFFFAOYSA-N 1 0 298.386 2.808 50 0 CFAARO CCOCCC[NH2+]Cc1ccc(Br)cc1 ZINC000006354813 170194599 /nfs/dbraw/zinc/19/45/99/170194599.db2.gz HQFWVZIFDPAICD-UHFFFAOYSA-N 1 0 272.186 2.965 50 0 CFAARO COc1ccc2ccccc2c1C[NH+]1CCC(C(N)=O)CC1 ZINC000006407169 170199125 /nfs/dbraw/zinc/19/91/25/170199125.db2.gz RIXGTDAURMORFW-UHFFFAOYSA-N 1 0 298.386 2.546 50 0 CFAARO OCC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000006598280 170217736 /nfs/dbraw/zinc/21/77/36/170217736.db2.gz RPIHBPMTYRNUFM-UHFFFAOYSA-N 1 0 271.360 2.704 50 0 CFAARO COc1cccc(C=O)c1OCC[NH+]1CCC(C)CC1 ZINC000006681925 170225866 /nfs/dbraw/zinc/22/58/66/170225866.db2.gz UMZBMKKCMSEYMV-UHFFFAOYSA-N 1 0 277.364 2.618 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000006703846 170230596 /nfs/dbraw/zinc/23/05/96/170230596.db2.gz KQDZOGXZCXAFJI-OAHLLOKOSA-N 1 0 291.391 2.731 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(F)cc1Cl ZINC000006725535 170232320 /nfs/dbraw/zinc/23/23/20/170232320.db2.gz RLDMBLVAVVNZPA-UHFFFAOYSA-N 1 0 284.762 2.695 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Cc2ccc(C)cc2)CC1 ZINC000006731735 170235910 /nfs/dbraw/zinc/23/59/10/170235910.db2.gz HGKIKHYFBMNJEQ-UHFFFAOYSA-N 1 0 274.408 2.528 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000006859902 170250675 /nfs/dbraw/zinc/25/06/75/170250675.db2.gz IRCTUCGANJLJNZ-SLTAFYQDSA-N 1 0 271.445 2.967 50 0 CFAARO Cc1ccc(C)c(NC(=S)NCCC[NH+](C)C)c1 ZINC000007065193 170265424 /nfs/dbraw/zinc/26/54/24/170265424.db2.gz UDIIGXSGIRVGMX-UHFFFAOYSA-N 1 0 265.426 2.542 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000007636285 170294509 /nfs/dbraw/zinc/29/45/09/170294509.db2.gz HABVQMHKIRWYCN-HNNXBMFYSA-N 1 0 263.381 2.657 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1 ZINC000007923963 170307890 /nfs/dbraw/zinc/30/78/90/170307890.db2.gz FPFFRYPBDIMCCQ-UHFFFAOYSA-N 1 0 268.360 2.678 50 0 CFAARO Cc1ccc(S(=O)(=O)[C@H](C[NH3+])c2cccs2)cc1 ZINC000007951941 170309211 /nfs/dbraw/zinc/30/92/11/170309211.db2.gz AZBMATSFSORDIL-CYBMUJFWSA-N 1 0 281.402 2.530 50 0 CFAARO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000008119205 170319494 /nfs/dbraw/zinc/31/94/94/170319494.db2.gz RALWARFFRPIQML-ZDUSSCGKSA-N 1 0 278.371 2.706 50 0 CFAARO COC(=O)[C@@H]1CC[NH2+][C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008377919 170333895 /nfs/dbraw/zinc/33/38/95/170333895.db2.gz LBFZVPWKURKLJQ-KCJUWKMLSA-N 1 0 274.147 2.817 50 0 CFAARO Cc1cccn2c(=O)cc(C[N@H+](C)Cc3ccccc3)nc12 ZINC000010030520 170396422 /nfs/dbraw/zinc/39/64/22/170396422.db2.gz SUJUCZOPMYOIFF-UHFFFAOYSA-N 1 0 293.370 2.635 50 0 CFAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 ZINC000010109466 170397795 /nfs/dbraw/zinc/39/77/95/170397795.db2.gz CVOSUNYEUOHGKA-UHFFFAOYSA-N 1 0 293.370 2.717 50 0 CFAARO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000013019588 170528828 /nfs/dbraw/zinc/52/88/28/170528828.db2.gz UHXQRVLQBVYLII-UHFFFAOYSA-N 1 0 274.408 2.906 50 0 CFAARO Cc1ccccc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000019362075 170776830 /nfs/dbraw/zinc/77/68/30/170776830.db2.gz DSJIRMZUIPMZIY-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO Cc1ccsc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020137731 171025001 /nfs/dbraw/zinc/02/50/01/171025001.db2.gz UQMDTURIVKQMEX-GFCCVEGCSA-N 1 0 275.373 2.986 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccncc2)cc1OC ZINC000020140456 171027023 /nfs/dbraw/zinc/02/70/23/171027023.db2.gz IQKFAGDMHIHGOL-CYBMUJFWSA-N 1 0 286.375 2.820 50 0 CFAARO Cc1cc(C(C)(C)C)ccc1OCCN1CC[NH2+]CC1 ZINC000020272377 171127219 /nfs/dbraw/zinc/12/72/19/171127219.db2.gz AZUZIEZMNYSWFF-UHFFFAOYSA-N 1 0 276.424 2.577 50 0 CFAARO CC[NH+]1CCN(CCOc2cc(C)ccc2Cl)CC1 ZINC000020406531 171182510 /nfs/dbraw/zinc/18/25/10/171182510.db2.gz BFJUGGUYWHKZOR-UHFFFAOYSA-N 1 0 282.815 2.665 50 0 CFAARO CCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020457742 171208740 /nfs/dbraw/zinc/20/87/40/171208740.db2.gz MVFSSBZNXRLHGM-CYBMUJFWSA-N 1 0 260.381 2.668 50 0 CFAARO CC[NH+]1CCN(Cc2csc3c2CCCC3)CC1 ZINC000020514328 171231745 /nfs/dbraw/zinc/23/17/45/171231745.db2.gz OSLZDXYCRDIBLZ-UHFFFAOYSA-N 1 0 264.438 2.764 50 0 CFAARO CC(C)[NH2+]CCOc1ccc(Br)cc1F ZINC000020525467 171238207 /nfs/dbraw/zinc/23/82/07/171238207.db2.gz BKAXXJLRIAXYLC-UHFFFAOYSA-N 1 0 276.149 2.965 50 0 CFAARO C[C@H]1CN(CCOc2ccc3c(c2)CCC3)C[C@H](C)O1 ZINC000020653444 171269238 /nfs/dbraw/zinc/26/92/38/171269238.db2.gz GMACMQQFZYBZSG-KBPBESRZSA-N 1 0 275.392 2.663 50 0 CFAARO CC[NH+](CC)CCNc1ccc(-c2ccccc2)nn1 ZINC000020737196 171271293 /nfs/dbraw/zinc/27/12/93/171271293.db2.gz PHTOQODKFSGKRC-UHFFFAOYSA-N 1 0 270.380 2.897 50 0 CFAARO CCCOc1cccc(C[NH2+]CCCN2CCCC2=O)c1 ZINC000020925145 171280116 /nfs/dbraw/zinc/28/01/16/171280116.db2.gz WMFQQIZJMFDGCT-UHFFFAOYSA-N 1 0 290.407 2.578 50 0 CFAARO COc1ccc(C[NH2+]C(C)C)cc1Br ZINC000020927750 171280333 /nfs/dbraw/zinc/28/03/33/171280333.db2.gz OAHLLZYKFHYEKZ-UHFFFAOYSA-N 1 0 258.159 2.956 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)c(F)c1 ZINC000020997573 171284085 /nfs/dbraw/zinc/28/40/85/171284085.db2.gz IZWLCOMYCVCAQC-AWEZNQCLSA-N 1 0 287.334 2.928 50 0 CFAARO COc1cccc(C[C@@H]2C[N@H+](CCCSC)CCO2)c1 ZINC000020997427 171284333 /nfs/dbraw/zinc/28/43/33/171284333.db2.gz BWLJRYJURHRPLJ-MRXNPFEDSA-N 1 0 295.448 2.692 50 0 CFAARO CN(C)CC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000022075006 171351881 /nfs/dbraw/zinc/35/18/81/171351881.db2.gz VCLYULLKXZMVCW-UHFFFAOYSA-N 1 0 284.403 2.917 50 0 CFAARO CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000022075419 171351902 /nfs/dbraw/zinc/35/19/02/171351902.db2.gz JNIQOHWHQYIVOA-MRXNPFEDSA-N 1 0 271.360 2.909 50 0 CFAARO C[C@@H](NC(=O)CC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000022198964 171372000 /nfs/dbraw/zinc/37/20/00/171372000.db2.gz PDAYHIHZZQGBMR-CQSZACIVSA-N 1 0 286.375 2.979 50 0 CFAARO C(=C/c1ccccc1)\CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000022455847 171388117 /nfs/dbraw/zinc/38/81/17/171388117.db2.gz KPGDSVYIPIXFOR-PFWMLDTASA-N 1 0 288.460 2.823 50 0 CFAARO CC[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000022454266 171388400 /nfs/dbraw/zinc/38/84/00/171388400.db2.gz TYUHWYRAPCQNEW-UHFFFAOYSA-N 1 0 254.377 2.977 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1nc2ccccc2s1 ZINC000022473356 171388616 /nfs/dbraw/zinc/38/86/16/171388616.db2.gz GEXFPGQQFQVJDW-UHFFFAOYSA-N 1 0 289.404 2.512 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COC2CCCCC2)C1 ZINC000035360290 172151779 /nfs/dbraw/zinc/15/17/79/172151779.db2.gz KDIJQKVDTOMHMR-ZNMIVQPWSA-N 1 0 269.429 2.675 50 0 CFAARO c1ccc(-n2nnnc2C2([NH+]3CCCCC3)CCCC2)cc1 ZINC000035622439 172303948 /nfs/dbraw/zinc/30/39/48/172303948.db2.gz SVCDDPSFQUHMAY-UHFFFAOYSA-N 1 0 297.406 2.918 50 0 CFAARO O=C(C[NH2+]CC1CCC1)Nc1cccc(Cl)c1 ZINC000037180632 173012929 /nfs/dbraw/zinc/01/29/29/173012929.db2.gz JSZZUKGVWXVICK-UHFFFAOYSA-N 1 0 252.745 2.668 50 0 CFAARO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000037246951 173060196 /nfs/dbraw/zinc/06/01/96/173060196.db2.gz WXBOUFZFJFRVCW-DLBZAZTESA-N 1 0 252.361 2.613 50 0 CFAARO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766357 173694987 /nfs/dbraw/zinc/69/49/87/173694987.db2.gz MJYIPFKTHWAITB-SWLSCSKDSA-N 1 0 275.396 2.599 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000037863678 173812605 /nfs/dbraw/zinc/81/26/05/173812605.db2.gz YNBSUXNMUNNKKN-MRXNPFEDSA-N 1 0 293.313 2.797 50 0 CFAARO c1ccc(C[C@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000038478225 174142032 /nfs/dbraw/zinc/14/20/32/174142032.db2.gz AJNDRRBUHVZNKU-SFHVURJKSA-N 1 0 266.388 2.703 50 0 CFAARO Fc1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580875 174148672 /nfs/dbraw/zinc/14/86/72/174148672.db2.gz UZDIDPRFBLNYIT-SECBINFHSA-N 1 0 274.133 2.719 50 0 CFAARO [NH3+]CCc1cc(NCCCSc2ccccc2)ncn1 ZINC000039532615 174169695 /nfs/dbraw/zinc/16/96/95/174169695.db2.gz DQVWUIZHKSIEIH-UHFFFAOYSA-N 1 0 288.420 2.572 50 0 CFAARO Cc1ccc(O)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000039975558 174180657 /nfs/dbraw/zinc/18/06/57/174180657.db2.gz QSMCMQQKQOAILF-UHFFFAOYSA-N 1 0 290.407 2.740 50 0 CFAARO CCCCCCOc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1 ZINC000040017172 174183023 /nfs/dbraw/zinc/18/30/23/174183023.db2.gz XSFWNPKRDZKUIQ-ZDUSSCGKSA-N 1 0 278.396 2.609 50 0 CFAARO Cc1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)c(F)c1 ZINC000040098483 174190547 /nfs/dbraw/zinc/19/05/47/174190547.db2.gz GTIYLWQWNKJYSE-UHFFFAOYSA-N 1 0 293.386 2.988 50 0 CFAARO Fc1cccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000040153607 174195003 /nfs/dbraw/zinc/19/50/03/174195003.db2.gz BLOYDQPNXRMDOQ-JKSUJKDBSA-N 1 0 279.355 2.848 50 0 CFAARO CSc1ccc(CN(C)C(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000040464420 174273994 /nfs/dbraw/zinc/27/39/94/174273994.db2.gz CRHXZMVCQTXOCB-CYBMUJFWSA-N 1 0 280.437 2.740 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C[C@@H]1C=CCC1)c1cccs1 ZINC000040465383 174274417 /nfs/dbraw/zinc/27/44/17/174274417.db2.gz YTOLMDGCMLCHAO-CHWSQXEVSA-N 1 0 278.421 2.823 50 0 CFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@H]1C ZINC000040466644 174275055 /nfs/dbraw/zinc/27/50/55/174275055.db2.gz WJBFFHNPIZJWKZ-CJNGLKHVSA-N 1 0 274.408 2.801 50 0 CFAARO CC[NH+]1CCC(N(C)C(=O)Nc2ccccc2OC)CC1 ZINC000040493448 174292883 /nfs/dbraw/zinc/29/28/83/174292883.db2.gz ISFZDFACCGRSIM-UHFFFAOYSA-N 1 0 291.395 2.643 50 0 CFAARO C[C@H]1CCC[C@](CNCc2ccncc2)([NH+](C)C)C1 ZINC000040668183 174367479 /nfs/dbraw/zinc/36/74/79/174367479.db2.gz RZICBPDAFBPELA-HOCLYGCPSA-N 1 0 261.413 2.682 50 0 CFAARO COc1ccc2ccccc2c1C[NH2+]CCCCO ZINC000040721078 174385657 /nfs/dbraw/zinc/38/56/57/174385657.db2.gz VDAIVJVXWHQZAG-UHFFFAOYSA-N 1 0 259.349 2.711 50 0 CFAARO CCOc1cc(C[NH2+]CCCCO)ccc1OC(C)C ZINC000040744239 174391704 /nfs/dbraw/zinc/39/17/04/174391704.db2.gz LJNVNGSXXGIBML-UHFFFAOYSA-N 1 0 281.396 2.735 50 0 CFAARO CC(=O)Nc1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000042772718 174871947 /nfs/dbraw/zinc/87/19/47/174871947.db2.gz XUYVCMJJDWLLJF-ZDUSSCGKSA-N 1 0 262.353 2.556 50 0 CFAARO Brc1cccc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000042774172 174873296 /nfs/dbraw/zinc/87/32/96/174873296.db2.gz VJUSORYEVRZJCP-JTQLQIEISA-N 1 0 285.185 2.613 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)Nc1cccc2cccnc21 ZINC000043529468 175062457 /nfs/dbraw/zinc/06/24/57/175062457.db2.gz SAJLTCCFPIACNJ-UHFFFAOYSA-N 1 0 298.390 2.842 50 0 CFAARO O=C(CCCc1ccc(Cl)cc1)NCC[NH+]1CCCC1 ZINC000044340281 175163722 /nfs/dbraw/zinc/16/37/22/175163722.db2.gz HPOBVJATCBFNMR-UHFFFAOYSA-N 1 0 294.826 2.875 50 0 CFAARO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1C ZINC000046701472 175398262 /nfs/dbraw/zinc/39/82/62/175398262.db2.gz JMXDHKPSNXWWFY-UHFFFAOYSA-N 1 0 274.408 2.908 50 0 CFAARO C[C@@H](CNC(=O)c1c(F)cccc1F)[NH+]1CCC(C)CC1 ZINC000058191595 175610797 /nfs/dbraw/zinc/61/07/97/175610797.db2.gz QIJRDXIWQFLLQU-LBPRGKRZSA-N 1 0 296.361 2.815 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccccc1 ZINC000062001324 175659898 /nfs/dbraw/zinc/65/98/98/175659898.db2.gz GSGZVMALTPALHZ-DOTOQJQBSA-N 1 0 264.328 2.611 50 0 CFAARO COc1ccc(-c2cccc([C@@H](C)[NH+](C)C)c2)nn1 ZINC000065527167 175746878 /nfs/dbraw/zinc/74/68/78/175746878.db2.gz HISMQDMWPTZNOO-LLVKDONJSA-N 1 0 257.337 2.775 50 0 CFAARO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccnc1 ZINC000065552862 175750083 /nfs/dbraw/zinc/75/00/83/175750083.db2.gz QVPIHOSIKRWBLH-OAHLLOKOSA-N 1 0 290.411 2.858 50 0 CFAARO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C)C(C)C ZINC000067445131 175775054 /nfs/dbraw/zinc/77/50/54/175775054.db2.gz ZJVUTVWSSJYASR-MRXNPFEDSA-N 1 0 291.439 2.807 50 0 CFAARO CC[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)c1ccccc1 ZINC000067689308 175783957 /nfs/dbraw/zinc/78/39/57/175783957.db2.gz YGFVJXQCIGJDNJ-MRXNPFEDSA-N 1 0 272.392 2.558 50 0 CFAARO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000071376014 176140988 /nfs/dbraw/zinc/14/09/88/176140988.db2.gz ADQVPTVCHMSGJQ-CABCVRRESA-N 1 0 274.408 2.822 50 0 CFAARO C[NH+]1CCC(NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000071375987 176141077 /nfs/dbraw/zinc/14/10/77/176141077.db2.gz CLIWUIIPPRHOER-UHFFFAOYSA-N 1 0 286.419 2.709 50 0 CFAARO Cc1ccc(N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)nn1 ZINC000071551672 176196561 /nfs/dbraw/zinc/19/65/61/176196561.db2.gz FLLHJUNGTRFGRA-INIZCTEOSA-N 1 0 288.439 2.732 50 0 CFAARO CCCc1nnc2sc([C@@H]3CCC[N@@H+](C(C)C)C3)nn12 ZINC000071681677 176245495 /nfs/dbraw/zinc/24/54/95/176245495.db2.gz KFHXHBJHRPBFOK-LLVKDONJSA-N 1 0 293.440 2.726 50 0 CFAARO CC[N@@H+]1CCC[C@H](c2nccn2CC2(O)CCCCC2)C1 ZINC000071721499 176252978 /nfs/dbraw/zinc/25/29/78/176252978.db2.gz DNUVCUFDDFITBF-HNNXBMFYSA-N 1 0 291.439 2.778 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000071844492 176275555 /nfs/dbraw/zinc/27/55/55/176275555.db2.gz WJAVILKJCVJSKJ-HNNXBMFYSA-N 1 0 289.354 2.875 50 0 CFAARO c1ncn(C[C@@H]2CCCC[N@H+]2CCCc2ccccc2)n1 ZINC000071876298 176285995 /nfs/dbraw/zinc/28/59/95/176285995.db2.gz JEMSZOQXIWXDLA-KRWDZBQOSA-N 1 0 284.407 2.765 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000071876086 176286052 /nfs/dbraw/zinc/28/60/52/176286052.db2.gz RADVWJXBRVDMMO-INIZCTEOSA-N 1 0 270.380 2.560 50 0 CFAARO C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000071884511 176289059 /nfs/dbraw/zinc/28/90/59/176289059.db2.gz LDEYSSGOEBVYHY-WFASDCNBSA-N 1 0 276.380 2.612 50 0 CFAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(N)=O)c2ccccc2)cc1 ZINC000071885737 176289637 /nfs/dbraw/zinc/28/96/37/176289637.db2.gz BWCOJDFHBCYJEG-BBRMVZONSA-N 1 0 268.360 2.548 50 0 CFAARO c1ccc(N2CCC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC000072121890 176320217 /nfs/dbraw/zinc/32/02/17/176320217.db2.gz OEBFUDMPBQORDS-UHFFFAOYSA-N 1 0 267.376 2.794 50 0 CFAARO c1cnn(-c2ccc(C[NH+]3CC(c4cccnc4)C3)cc2)c1 ZINC000072144059 176324337 /nfs/dbraw/zinc/32/43/37/176324337.db2.gz MIACGUNFXSVMFV-UHFFFAOYSA-N 1 0 290.370 2.867 50 0 CFAARO O=C1NC[C@@]2(CCC[N@H+](C/C=C/c3ccccc3)CC2)O1 ZINC000072156697 176328469 /nfs/dbraw/zinc/32/84/69/176328469.db2.gz QKSISHXWYAVMTL-AUNFYEFLSA-N 1 0 286.375 2.664 50 0 CFAARO c1cncc(CO[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072161166 176329951 /nfs/dbraw/zinc/32/99/51/176329951.db2.gz JXTHPTPDQBJBNJ-QGZVFWFLSA-N 1 0 283.375 2.658 50 0 CFAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(N)=O ZINC000072281398 176359151 /nfs/dbraw/zinc/35/91/51/176359151.db2.gz FKRBHNYZBUGZAH-GZMMTYOYSA-N 1 0 274.286 2.620 50 0 CFAARO COc1ccccc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000072306047 176366352 /nfs/dbraw/zinc/36/63/52/176366352.db2.gz OEPBXKJXZUZIGU-GFCCVEGCSA-N 1 0 293.411 2.793 50 0 CFAARO CC[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312054 176367295 /nfs/dbraw/zinc/36/72/95/176367295.db2.gz BTTIJSGYPDLENX-CQSZACIVSA-N 1 0 270.380 2.889 50 0 CFAARO c1cnc(Nc2cc(CC[C@H]3CCC[NH2+]C3)ccn2)cn1 ZINC000072343492 176372270 /nfs/dbraw/zinc/37/22/70/176372270.db2.gz WOQMLQCYYBNFOU-CQSZACIVSA-N 1 0 283.379 2.547 50 0 CFAARO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCC[NH2+]3)c2)n1 ZINC000072376688 176385324 /nfs/dbraw/zinc/38/53/24/176385324.db2.gz YOHMWZMDAIAJRB-AWEZNQCLSA-N 1 0 283.379 2.965 50 0 CFAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000078553190 177353188 /nfs/dbraw/zinc/35/31/88/177353188.db2.gz NZZCMUQDROHYNK-NSHDSACASA-N 1 0 289.427 2.839 50 0 CFAARO C[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000078780777 177387917 /nfs/dbraw/zinc/38/79/17/177387917.db2.gz DBMDJZAZPDCHAO-MRVPVSSYSA-N 1 0 279.714 2.802 50 0 CFAARO CCCc1cc(=O)[nH]c(-c2ccccc2C[NH+]2CCCC2)n1 ZINC000048087862 420501905 /nfs/dbraw/zinc/50/19/05/420501905.db2.gz TVUFKRWVBJFSJZ-UHFFFAOYSA-N 1 0 297.402 2.985 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000037203322 260158644 /nfs/dbraw/zinc/15/86/44/260158644.db2.gz LSWMVNUKILGFOG-VBQJREDUSA-N 1 0 286.419 2.984 50 0 CFAARO O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1ccccc1 ZINC000019731816 262193403 /nfs/dbraw/zinc/19/34/03/262193403.db2.gz BLKGDUZXYWIPNK-INIZCTEOSA-N 1 0 298.386 2.799 50 0 CFAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CCCc3ccccc31)CN2 ZINC000065625481 274729729 /nfs/dbraw/zinc/72/97/29/274729729.db2.gz ACWZHVJHFOWKIF-WMLDXEAASA-N 1 0 296.418 2.900 50 0 CFAARO CC(C)COCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000241371284 275582688 /nfs/dbraw/zinc/58/26/88/275582688.db2.gz MMDYUGGSOFGFSZ-CABCVRRESA-N 1 0 265.401 2.629 50 0 CFAARO CC(C)c1ccc(CN(C(=O)[C@@H](C)[NH3+])C2CC2)cc1 ZINC000151744519 275738340 /nfs/dbraw/zinc/73/83/40/275738340.db2.gz OWTRQCDMEJVKEI-GFCCVEGCSA-N 1 0 260.381 2.648 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCF)CC1 ZINC000183620634 275824272 /nfs/dbraw/zinc/82/42/72/275824272.db2.gz LIIDMUWJUGRVAK-LBPRGKRZSA-N 1 0 274.380 2.725 50 0 CFAARO CCC[NH+]1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000253417254 276012977 /nfs/dbraw/zinc/01/29/77/276012977.db2.gz TVBJTTRHSTULDU-HNNXBMFYSA-N 1 0 274.408 2.580 50 0 CFAARO CCC[C@H](CNc1nccc(C(C)C)n1)[NH+](C)C ZINC000095372702 276042162 /nfs/dbraw/zinc/04/21/62/276042162.db2.gz XBEDDEWUMZRZPZ-GFCCVEGCSA-N 1 0 250.390 2.742 50 0 CFAARO CC[NH+](CC)CCOC(=O)c1c(C)oc2ccc(O)cc21 ZINC000001832141 276099635 /nfs/dbraw/zinc/09/96/35/276099635.db2.gz HRLWPIDNRTVOHP-UHFFFAOYSA-N 1 0 291.347 2.945 50 0 CFAARO CCc1nc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nn1C ZINC000426440268 276698449 /nfs/dbraw/zinc/69/84/49/276698449.db2.gz KDZSEZNILOEWRY-LLVKDONJSA-N 1 0 258.369 2.667 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc2cc(C)ccc2nc1C ZINC000237261817 277032772 /nfs/dbraw/zinc/03/27/72/277032772.db2.gz UBURNIALLHQUEV-OAHLLOKOSA-N 1 0 297.402 2.676 50 0 CFAARO C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091770600 277035927 /nfs/dbraw/zinc/03/59/27/277035927.db2.gz ZTBZOZNWRJPJMM-KRWDZBQOSA-N 1 0 298.430 2.877 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000091303638 277186770 /nfs/dbraw/zinc/18/67/70/277186770.db2.gz VFMSLOWWMDXQQG-OLZOCXBDSA-N 1 0 268.401 2.633 50 0 CFAARO COc1cc(Br)ccc1[C@H]1CCC[NH2+]1 ZINC000096884307 277795392 /nfs/dbraw/zinc/79/53/92/277795392.db2.gz KONXRTIVMZBPHW-SNVBAGLBSA-N 1 0 256.143 2.882 50 0 CFAARO COc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000030908622 278050119 /nfs/dbraw/zinc/05/01/19/278050119.db2.gz CWBFCYNKLJVUME-CQSZACIVSA-N 1 0 271.364 2.596 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2cccc(F)c2Cl)[C@@H]1C[NH3+] ZINC000165352346 278478052 /nfs/dbraw/zinc/47/80/52/278478052.db2.gz GJSXWXCGPZVBPZ-BXKDBHETSA-N 1 0 284.762 2.679 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cccc1 ZINC000334160309 279313008 /nfs/dbraw/zinc/31/30/08/279313008.db2.gz AWRZSCOGKGAYJC-CVEARBPZSA-N 1 0 291.439 2.676 50 0 CFAARO C[C@H](c1cccnc1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000098013268 279616902 /nfs/dbraw/zinc/61/69/02/279616902.db2.gz HXMIBHARFMMMIV-WBVHZDCISA-N 1 0 271.408 2.869 50 0 CFAARO O=C(C[NH+]1CCCCC1)NCC12CC3CC(CC(C3)C1)C2 ZINC000004980827 279766028 /nfs/dbraw/zinc/76/60/28/279766028.db2.gz CKABJFNIYUEJBZ-UHFFFAOYSA-N 1 0 290.451 2.805 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000006008106 279987138 /nfs/dbraw/zinc/98/71/38/279987138.db2.gz DBEVPZXXAIKVSS-KBPBESRZSA-N 1 0 266.429 2.803 50 0 CFAARO CC[C@@H](C(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000069779532 280069527 /nfs/dbraw/zinc/06/95/27/280069527.db2.gz OSPMOSATSIHIDO-MRXNPFEDSA-N 1 0 274.408 2.734 50 0 CFAARO Cc1c(Cl)cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1Cl ZINC000095380408 280229861 /nfs/dbraw/zinc/22/98/61/280229861.db2.gz ZIIDOOIEEFMYEX-TVQRCGJNSA-N 1 0 299.201 2.736 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191363437 280263140 /nfs/dbraw/zinc/26/31/40/280263140.db2.gz OYPLOYSHYXKIHH-LLVKDONJSA-N 1 0 292.766 2.958 50 0 CFAARO O=c1oc2ccccc2c(N2CCCC2)c1C[NH+]1CCCC1 ZINC000000236909 280397071 /nfs/dbraw/zinc/39/70/71/280397071.db2.gz YFMUIIMOYGMKRD-UHFFFAOYSA-N 1 0 298.386 2.989 50 0 CFAARO Cc1ccc2c(c1)CCCN2C(=O)[C@H]([NH3+])CC(C)C ZINC000019485974 281051800 /nfs/dbraw/zinc/05/18/00/281051800.db2.gz JVDWIITYIYHMCL-CQSZACIVSA-N 1 0 260.381 2.648 50 0 CFAARO Cc1ccccc1N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000072161760 281346750 /nfs/dbraw/zinc/34/67/50/281346750.db2.gz UMTBBLMYQMIVBJ-INIZCTEOSA-N 1 0 274.408 2.544 50 0 CFAARO Cc1nc(C)c(-c2cccc3c2O[C@@H](C[NH3+])C3)s1 ZINC000067788905 281856544 /nfs/dbraw/zinc/85/65/44/281856544.db2.gz WRPJODUILLQEGR-LLVKDONJSA-N 1 0 260.362 2.689 50 0 CFAARO c1ccc2c(c1)CSc1ccccc1[C@H]2NC1=[NH+]CCN1 ZINC000000346609 304857610 /nfs/dbraw/zinc/85/76/10/304857610.db2.gz GGHRNCPELIMFMW-INIZCTEOSA-N 1 0 295.411 2.931 50 0 CFAARO COCC(C)(C)CNC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000534584236 328311834 /nfs/dbraw/zinc/31/18/34/328311834.db2.gz RCIDQEAXALGOME-UHFFFAOYSA-N 1 0 298.471 2.722 50 0 CFAARO CSc1cccc(CN(C(=O)[C@@H]2C=CC[NH2+]2)C(C)C)c1 ZINC000534586823 328315748 /nfs/dbraw/zinc/31/57/48/328315748.db2.gz HGRHMGRZNRUJST-HNNXBMFYSA-N 1 0 290.432 2.674 50 0 CFAARO Cc1ccc2c(c1)c(C[NH2+][C@H]1CCCSC1)nn2C ZINC000534649929 328336232 /nfs/dbraw/zinc/33/62/32/328336232.db2.gz SGEFAOQZMUBDKJ-LBPRGKRZSA-N 1 0 275.421 2.867 50 0 CFAARO C[C@H](CN(C)C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534650033 328336520 /nfs/dbraw/zinc/33/65/20/328336520.db2.gz UDAMGUPVRQSMFI-GFCCVEGCSA-N 1 0 266.816 2.911 50 0 CFAARO C[C@H]1Cc2cc(C[NH2+]C3CSCCSC3)ccc2O1 ZINC000534650127 328336760 /nfs/dbraw/zinc/33/67/60/328336760.db2.gz LSPHXFCJBBRNNJ-NSHDSACASA-N 1 0 295.473 2.948 50 0 CFAARO Cc1c(C(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)ccn1C ZINC000534656977 328340779 /nfs/dbraw/zinc/34/07/79/328340779.db2.gz PZYPOBCFIFBZGV-KRWDZBQOSA-N 1 0 299.418 2.675 50 0 CFAARO Cc1[nH]ccc1C(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000534664775 328344563 /nfs/dbraw/zinc/34/45/63/328344563.db2.gz KTLROSUANNVEBP-INIZCTEOSA-N 1 0 285.391 2.746 50 0 CFAARO CCCC[C@@H](NC(=O)C[NH+]1CCCC1)c1cccnc1 ZINC000534665373 328344730 /nfs/dbraw/zinc/34/47/30/328344730.db2.gz OJOABRDDUJPBOQ-OAHLLOKOSA-N 1 0 275.396 2.525 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000191107733 324045450 /nfs/dbraw/zinc/04/54/50/324045450.db2.gz RIRRUKFSTYUOCM-ZIAGYGMSSA-N 1 0 287.469 2.782 50 0 CFAARO CCc1ccc(NC(=O)C2CC[NH2+]CC2)cc1CC ZINC000195555073 324108192 /nfs/dbraw/zinc/10/81/92/324108192.db2.gz BOEOGJVTAAILTC-UHFFFAOYSA-N 1 0 260.381 2.750 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(CC(N)=O)CC1 ZINC000195575782 324109164 /nfs/dbraw/zinc/10/91/64/324109164.db2.gz QYNUMPSSTAKDHK-ZFWWWQNUSA-N 1 0 264.413 2.566 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000195568893 324109429 /nfs/dbraw/zinc/10/94/29/324109429.db2.gz WMUPTCMZBCYMKS-MBNYWOFBSA-N 1 0 276.428 2.997 50 0 CFAARO CCC[N@@H+]1CCCN(C(=O)Nc2cccc(OC)c2)CC1 ZINC000058152797 327010128 /nfs/dbraw/zinc/01/01/28/327010128.db2.gz YTBLDYVXVZINOE-UHFFFAOYSA-N 1 0 291.395 2.645 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480404 327039470 /nfs/dbraw/zinc/03/94/70/327039470.db2.gz JTIDKYKNHPDGIA-UHFFFAOYSA-N 1 0 266.772 2.508 50 0 CFAARO CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1cccnc1 ZINC000069622259 327100317 /nfs/dbraw/zinc/10/03/17/327100317.db2.gz VXUNXHAYTCSGCZ-CQSZACIVSA-N 1 0 277.412 2.771 50 0 CFAARO COc1ccc(C)cc1CC[NH2+][C@H]1CCCc2c1cnn2C ZINC000178420505 335431302 /nfs/dbraw/zinc/43/13/02/335431302.db2.gz IWXKSMFEASGSAL-INIZCTEOSA-N 1 0 299.418 2.947 50 0 CFAARO O=S1CCC([NH2+]CCCn2ccc3ccccc32)CC1 ZINC000042336159 500689360 /nfs/dbraw/zinc/68/93/60/500689360.db2.gz NZAQYPTXPNZQRM-UHFFFAOYSA-N 1 0 290.432 2.532 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000038011127 500997785 /nfs/dbraw/zinc/99/77/85/500997785.db2.gz OPGBITCHTVPESS-NSHDSACASA-N 1 0 287.363 2.730 50 0 CFAARO Cc1c2cccc(Cl)c2[nH]c1CN1CC[C@@H]([NH3+])C1 ZINC000426381820 533969538 /nfs/dbraw/zinc/96/95/38/533969538.db2.gz WADDTEGBAFNZMJ-SNVBAGLBSA-N 1 0 263.772 2.663 50 0 CFAARO COc1ccccc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000007786592 534168284 /nfs/dbraw/zinc/16/82/84/534168284.db2.gz LXNXOXYZQJXFBS-UHFFFAOYSA-N 1 0 276.380 2.898 50 0 CFAARO Cc1ccc(S[C@H](C)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000428140377 534217185 /nfs/dbraw/zinc/21/71/85/534217185.db2.gz FTPUXOHMWBVGBN-CYBMUJFWSA-N 1 0 292.448 2.591 50 0 CFAARO COc1ccc(-c2cc(C[NH2+][C@@H]3CCSC3)no2)cc1 ZINC000065508671 518142460 /nfs/dbraw/zinc/14/24/60/518142460.db2.gz UAYQQTLXWLUOMB-GFCCVEGCSA-N 1 0 290.388 2.945 50 0 CFAARO CC(=O)c1ccc(O[C@@]23CC[N@H+](C2)CCC3)cc1C ZINC000067712884 518398750 /nfs/dbraw/zinc/39/87/50/518398750.db2.gz ZEEOFRASDFVFDL-INIZCTEOSA-N 1 0 259.349 2.815 50 0 CFAARO CCC[NH+]1CCC(NCc2cc(OC)cc(OC)c2)CC1 ZINC000058154027 519847015 /nfs/dbraw/zinc/84/70/15/519847015.db2.gz SNCQDLMOJTYJIO-UHFFFAOYSA-N 1 0 292.423 2.668 50 0 CFAARO CCCC[C@H]([NH3+])C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000059931599 521207957 /nfs/dbraw/zinc/20/79/57/521207957.db2.gz FULRPIPCGBVUBY-LBPRGKRZSA-N 1 0 288.313 2.839 50 0 CFAARO CN(C)CC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000019872350 521788350 /nfs/dbraw/zinc/78/83/50/521788350.db2.gz BMDQCCJNIOFSDO-UHFFFAOYSA-N 1 0 262.328 2.737 50 0 CFAARO CCc1ccc([C@@H](C)[NH2+]C[C@H](c2cnn(C)c2)N(C)C)o1 ZINC000096477924 524024952 /nfs/dbraw/zinc/02/49/52/524024952.db2.gz SQAZMTDMSSZNNT-IUODEOHRSA-N 1 0 290.411 2.529 50 0 CFAARO Cc1cc(C[N@H+](C)CCCn2cccn2)ccc1F ZINC000214970767 524661840 /nfs/dbraw/zinc/66/18/40/524661840.db2.gz OFHLXPHQWMMKJU-UHFFFAOYSA-N 1 0 261.344 2.853 50 0 CFAARO CSCc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000156268915 525723767 /nfs/dbraw/zinc/72/37/67/525723767.db2.gz LGLYACDMAQWFLE-IUODEOHRSA-N 1 0 292.448 2.749 50 0 CFAARO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(C)c(C)c2)C1(C)C ZINC000170602234 527873338 /nfs/dbraw/zinc/87/33/38/527873338.db2.gz XQTUZDYBOSXPBN-AEFFLSMTSA-N 1 0 291.435 2.959 50 0 CFAARO CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccccn1 ZINC000225807738 527980561 /nfs/dbraw/zinc/98/05/61/527980561.db2.gz IXHZDLVPTWYMTB-GJZGRUSLSA-N 1 0 289.423 2.566 50 0 CFAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441710 529219766 /nfs/dbraw/zinc/21/97/66/529219766.db2.gz FRGPVYIMSYSRLH-VXGBXAGGSA-N 1 0 297.424 2.528 50 0 CFAARO CCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@H]([NH3+])C1 ZINC000493508190 535925035 /nfs/dbraw/zinc/92/50/35/535925035.db2.gz CIXNZFVTIDTMET-KRZKBDHCSA-N 1 0 284.359 2.568 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](O)c1ccncc1)c1cc(F)cc(F)c1 ZINC000090712816 566955297 /nfs/dbraw/zinc/95/52/97/566955297.db2.gz CULNHIRAKGELHW-MEBBXXQBSA-N 1 0 278.302 2.744 50 0 CFAARO c1nc2cc(C[NH2+]C3CSCCSC3)ccc2[nH]1 ZINC000670452581 567181175 /nfs/dbraw/zinc/18/11/75/567181175.db2.gz LZHOZHUQMLZJDY-UHFFFAOYSA-N 1 0 279.434 2.501 50 0 CFAARO Cc1cc(Cl)cc(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000235852628 567891849 /nfs/dbraw/zinc/89/18/49/567891849.db2.gz YKSAQJUSXSGCGL-AWEZNQCLSA-N 1 0 280.799 2.896 50 0 CFAARO CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000952988256 614324640 /nfs/dbraw/zinc/32/46/40/614324640.db2.gz QPOJEQLGLUAJKC-BPUTZDHNSA-N 1 0 278.440 2.802 50 0 CFAARO CCCCc1nc(CNC[C@H]2CCCC[N@@H+]2CC)c[nH]1 ZINC000952973775 614490967 /nfs/dbraw/zinc/49/09/67/614490967.db2.gz DOZDGAJISHAIIR-OAHLLOKOSA-N 1 0 278.444 2.716 50 0 CFAARO CCn1nnc(C)c1C[N@@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000952992732 615743093 /nfs/dbraw/zinc/74/30/93/615743093.db2.gz CABZJIHUNCCMPS-HNNXBMFYSA-N 1 0 299.422 2.771 50 0 CFAARO O=C(c1ccc(F)c(F)c1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000828152431 617995565 /nfs/dbraw/zinc/99/55/65/617995565.db2.gz CWNLGOUMBVECGV-UHFFFAOYSA-N 1 0 294.345 2.665 50 0 CFAARO OCC[NH2+]CCCCCOc1ccc2ccccc2c1 ZINC000002903108 618087491 /nfs/dbraw/zinc/08/74/91/618087491.db2.gz XDKSFKDTBUQNET-UHFFFAOYSA-N 1 0 273.376 2.971 50 0 CFAARO CNc1cc(-c2ccccc2C[NH3+])c2cc[nH]c2n1 ZINC000072426203 618103609 /nfs/dbraw/zinc/10/36/09/618103609.db2.gz BQWCOMLGMMPVRF-UHFFFAOYSA-N 1 0 252.321 2.730 50 0 CFAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1C ZINC000023114880 618117326 /nfs/dbraw/zinc/11/73/26/618117326.db2.gz ZYTIZXLDVRLEDJ-OAHLLOKOSA-N 1 0 263.381 2.741 50 0 CFAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2c(C)cccc2C)C1 ZINC000092028951 618179341 /nfs/dbraw/zinc/17/93/41/618179341.db2.gz IXQRBQRGJBLWDG-DLBZAZTESA-N 1 0 286.419 2.746 50 0 CFAARO c1ccc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)nc1 ZINC000023283008 618367680 /nfs/dbraw/zinc/36/76/80/618367680.db2.gz GFNOAOVZIGDEOD-GOSISDBHSA-N 1 0 293.414 2.761 50 0 CFAARO OCC1CCN([C@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000023374320 618454253 /nfs/dbraw/zinc/45/42/53/618454253.db2.gz IEHJVCCTRSSOHP-SFHVURJKSA-N 1 0 294.483 2.735 50 0 CFAARO CO[C@H]1CCC12CC[NH+](Cc1scnc1C)CC2 ZINC000257175127 618871257 /nfs/dbraw/zinc/87/12/57/618871257.db2.gz AGIFMQBTNJWOJW-ZDUSSCGKSA-N 1 0 266.410 2.843 50 0 CFAARO O=C(C1CCC1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257182688 618880650 /nfs/dbraw/zinc/88/06/50/618880650.db2.gz PXBMUTUSBCVEFK-AWEZNQCLSA-N 1 0 264.413 2.511 50 0 CFAARO CC(C)=C=C1[C@H](C[NH+]2CCC(NC(C)=O)CC2)C1(C)C ZINC000888096179 619131795 /nfs/dbraw/zinc/13/17/95/619131795.db2.gz MQCJXBRXPSBKMN-INIZCTEOSA-N 1 0 276.424 2.734 50 0 CFAARO OCC[C@@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1 ZINC000888098961 619132379 /nfs/dbraw/zinc/13/23/79/619132379.db2.gz RZDXOOJZIKRJHG-ORQFMDKSSA-N 1 0 257.377 2.707 50 0 CFAARO NC(=[NH2+])c1ccc(-n2cccn2)cc1-c1ccccc1 ZINC000888099596 619132828 /nfs/dbraw/zinc/13/28/28/619132828.db2.gz SHDVLXFFLWRVDA-UHFFFAOYSA-N 1 0 262.316 2.823 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CC[C@@H](c2nccn2C)C1 ZINC000888099149 619132970 /nfs/dbraw/zinc/13/29/70/619132970.db2.gz WOOOKXWIHIFNHG-NEPJUHHUSA-N 1 0 276.409 2.611 50 0 CFAARO CC(C)c1cc(NC(=O)N2CC(C)(C)[NH2+]C(C)(C)C2)no1 ZINC000888099583 619132983 /nfs/dbraw/zinc/13/29/83/619132983.db2.gz RHVRYNVTSKEEAV-UHFFFAOYSA-N 1 0 294.399 2.792 50 0 CFAARO CCCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H]1C ZINC000261361496 619138107 /nfs/dbraw/zinc/13/81/07/619138107.db2.gz AUMQUVNLMMEFEG-XJKSGUPXSA-N 1 0 261.365 2.949 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 ZINC000178574525 619180560 /nfs/dbraw/zinc/18/05/60/619180560.db2.gz MTOKPAQRZUODEP-ITKZLYELSA-N 1 0 298.308 2.526 50 0 CFAARO C[C@H](c1cccc(F)c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000056284254 622978474 /nfs/dbraw/zinc/97/84/74/622978474.db2.gz ZYJOMOIPTOSKBK-GFCCVEGCSA-N 1 0 290.382 2.877 50 0 CFAARO CCc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000154290649 624317218 /nfs/dbraw/zinc/31/72/18/624317218.db2.gz KXDCCURDLSDLEC-MRXNPFEDSA-N 1 0 274.408 2.740 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000155122225 624634958 /nfs/dbraw/zinc/63/49/58/624634958.db2.gz OOZUSHYHZBZTJU-AWEZNQCLSA-N 1 0 299.374 2.556 50 0 CFAARO CC1(C)C[C@@]1(C[NH2+]Cc1cncnc1)c1ccccc1 ZINC000853095786 634902473 /nfs/dbraw/zinc/90/24/73/634902473.db2.gz YAIUWHFWMVZIFN-QGZVFWFLSA-N 1 0 267.376 2.934 50 0 CFAARO C[C@@H]1COC[C@@H](C)C1[NH2+]CCCNc1ccccc1 ZINC000863984690 637832777 /nfs/dbraw/zinc/83/27/77/637832777.db2.gz YWIIPGKRHGVCRC-ZIAGYGMSSA-N 1 0 262.397 2.749 50 0 CFAARO C[C@](O)(C[NH2+][C@H]1CCCC[C@@H]1CCCO)c1ccsc1 ZINC000863984259 637832880 /nfs/dbraw/zinc/83/28/80/637832880.db2.gz PMCMFKSPSZRXEJ-KBMXLJTQSA-N 1 0 297.464 2.877 50 0 CFAARO CC(C)CCCC[NH2+][C@H](c1nncn1C)C(C)C ZINC000864087326 637867339 /nfs/dbraw/zinc/86/73/39/637867339.db2.gz SNLMJBMDIGDXRU-ZDUSSCGKSA-N 1 0 252.406 2.928 50 0 CFAARO COc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1F ZINC000192954992 650612227 /nfs/dbraw/zinc/61/22/27/650612227.db2.gz DHLPKDNSQKBKKX-GFCCVEGCSA-N 1 0 289.354 2.557 50 0 CFAARO C[C@H]1Cc2n[nH]cc2C[N@@H+](Cc2ccccc2F)C1 ZINC000952994671 650792549 /nfs/dbraw/zinc/79/25/49/650792549.db2.gz STJBRXUQOJROEY-NSHDSACASA-N 1 0 259.328 2.743 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc(F)cc1 ZINC000098007735 651059757 /nfs/dbraw/zinc/05/97/57/651059757.db2.gz LYJJHBBDTQTUJO-YHAOYDPOSA-N 1 0 290.382 2.830 50 0 CFAARO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000887268677 647255612 /nfs/dbraw/zinc/25/56/12/647255612.db2.gz RJMTUFHKGKGAFG-YLFCFFPRSA-N 1 0 290.451 2.898 50 0 CFAARO Cc1cccc(OCCOCC[NH+]2CCCC2)c1C ZINC000016663436 651257873 /nfs/dbraw/zinc/25/78/73/651257873.db2.gz GAMBTPSDAIPDQW-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO c1cnn(CC[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000019146980 651287870 /nfs/dbraw/zinc/28/78/70/651287870.db2.gz JVZYUCVVIYVKLF-CQSZACIVSA-N 1 0 295.390 2.639 50 0 CFAARO Cc1nccn1CCC1CC[NH+](CCc2ccccn2)CC1 ZINC000019720517 651292974 /nfs/dbraw/zinc/29/29/74/651292974.db2.gz VTQOTXSJPVASEP-UHFFFAOYSA-N 1 0 298.434 2.931 50 0 CFAARO CN(CCc1ccc(F)c(F)c1)CC[NH+]1CCCCC1 ZINC000019781636 651293766 /nfs/dbraw/zinc/29/37/66/651293766.db2.gz RENGQJNJRLDOLC-UHFFFAOYSA-N 1 0 282.378 2.925 50 0 CFAARO CO[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000020560602 651299148 /nfs/dbraw/zinc/29/91/48/651299148.db2.gz YZFACSBAEWCVEX-AWEZNQCLSA-N 1 0 262.328 2.918 50 0 CFAARO CC[NH+](CC)CCOCCOc1ccc(F)cc1 ZINC000023549913 775476126 /nfs/dbraw/zinc/47/61/26/775476126.db2.gz MDQHANNSEJQYLR-UHFFFAOYSA-N 1 0 255.333 2.563 50 0 CFAARO Cn1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3O)c2ccccc21 ZINC000675010741 775982406 /nfs/dbraw/zinc/98/24/06/775982406.db2.gz JBOBAWBFBRRJKQ-RPVQJOFSSA-N 1 0 284.403 2.771 50 0 CFAARO Cc1nc(CO[C@@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000675016135 775983443 /nfs/dbraw/zinc/98/34/43/775983443.db2.gz GUHHWAVMRVGHAA-OAHLLOKOSA-N 1 0 293.411 2.939 50 0 CFAARO [NH3+]CCN1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000299782250 776185057 /nfs/dbraw/zinc/18/50/57/776185057.db2.gz USWIODFDKXELSG-QGZVFWFLSA-N 1 0 268.360 2.581 50 0 CFAARO CC/C=C\CCC[N@@H+]1CCC[C@](CC)(C(N)=O)C1 ZINC000822293511 780887322 /nfs/dbraw/zinc/88/73/22/780887322.db2.gz CNKMNIKLBQQDTL-YVACAVLKSA-N 1 0 252.402 2.710 50 0 CFAARO c1cnc(NCC2([NH+]3CCCCC3)CCCC2)cn1 ZINC000820414111 781866962 /nfs/dbraw/zinc/86/69/62/781866962.db2.gz ADQJDBXPQHMFKF-UHFFFAOYSA-N 1 0 260.385 2.687 50 0 CFAARO CC(C)N1CCC[N@H+](C[C@@H]2CCOC(C)(C)C2)CC1 ZINC000821751136 781886141 /nfs/dbraw/zinc/88/61/41/781886141.db2.gz HXVGXMLUKTZDDS-OAHLLOKOSA-N 1 0 268.445 2.608 50 0 CFAARO CC[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC ZINC000822555780 781904078 /nfs/dbraw/zinc/90/40/78/781904078.db2.gz LAVUEWBQYNZUSW-ZDUSSCGKSA-N 1 0 268.788 2.687 50 0 CFAARO CC[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)n1cccc1 ZINC000822673475 781908825 /nfs/dbraw/zinc/90/88/25/781908825.db2.gz MZXMOFZTQPWZNX-OAHLLOKOSA-N 1 0 291.439 2.820 50 0 CFAARO CCCC1(CO)CC[NH+](CC[C@@H]2CC2(F)F)CC1 ZINC000822799647 781911103 /nfs/dbraw/zinc/91/11/03/781911103.db2.gz TUGLGOQLQOJYDB-GFCCVEGCSA-N 1 0 261.356 2.906 50 0 CFAARO c1cc(N[C@H]2CCOC2)cc(OCC[NH+]2CCCCC2)c1 ZINC000096482876 230380502 /nfs/dbraw/zinc/38/05/02/230380502.db2.gz UCHWMUOHHOSOKN-INIZCTEOSA-N 1 0 290.407 2.752 50 0 CFAARO CCOc1ccccc1O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000096490310 230382454 /nfs/dbraw/zinc/38/24/54/230382454.db2.gz SMEQUXUGXUJYAP-RBSFLKMASA-N 1 0 291.391 2.764 50 0 CFAARO COCC[NH2+]C1(c2cccc(Br)c2)CC1 ZINC000096491962 230382584 /nfs/dbraw/zinc/38/25/84/230382584.db2.gz RZHNQHDGVHPYMH-UHFFFAOYSA-N 1 0 270.170 2.674 50 0 CFAARO CC[NH+]1CCC(CC(=O)N(C)[C@@H](C)c2cncs2)CC1 ZINC000095522098 185002327 /nfs/dbraw/zinc/00/23/27/185002327.db2.gz KKFPOHNWDRCLHH-LBPRGKRZSA-N 1 0 295.452 2.785 50 0 CFAARO Cc1ccc(F)c(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000095517277 185002810 /nfs/dbraw/zinc/00/28/10/185002810.db2.gz IQCYYHOGOYYIQD-INIZCTEOSA-N 1 0 291.370 2.694 50 0 CFAARO CC(C)CCC[N@@H+]1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000095517935 185003039 /nfs/dbraw/zinc/00/30/39/185003039.db2.gz DQGPHJQYJAUJOV-GOSISDBHSA-N 1 0 290.451 2.601 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cn[nH]c2)c(Cl)c1 ZINC000095941510 185036067 /nfs/dbraw/zinc/03/60/67/185036067.db2.gz VTVFGHDOLTVBFZ-SNVBAGLBSA-N 1 0 292.770 2.661 50 0 CFAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N(Cc1ccsc1)C1CC1 ZINC000095954907 185042106 /nfs/dbraw/zinc/04/21/06/185042106.db2.gz INLBXTJCUGJNGJ-LBPRGKRZSA-N 1 0 292.448 2.969 50 0 CFAARO CC[C@H](C(=O)OCc1cccc(N(C)C)c1)[NH+](CC)CC ZINC000095961448 185044071 /nfs/dbraw/zinc/04/40/71/185044071.db2.gz YINHBOGSQKOVFU-MRXNPFEDSA-N 1 0 292.423 2.916 50 0 CFAARO C[C@H](CSC(C)(C)C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000095968462 185047091 /nfs/dbraw/zinc/04/70/91/185047091.db2.gz PAGNXIWMYKSZRW-GHMZBOCLSA-N 1 0 255.431 2.991 50 0 CFAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+][C@@H](C)c1ccccc1OC ZINC000095968913 185048161 /nfs/dbraw/zinc/04/81/61/185048161.db2.gz NIHUEJFMZJBJOK-APHBMKBZSA-N 1 0 295.448 2.992 50 0 CFAARO COCCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCCSC2)c1C ZINC000095982183 185054083 /nfs/dbraw/zinc/05/40/83/185054083.db2.gz CBGDRGFMBAVKJL-SMDDNHRTSA-N 1 0 297.468 2.693 50 0 CFAARO Cc1cccc(C(C)(C)[NH2+]C[C@@H](C)CS(C)(=O)=O)c1 ZINC000095985278 185054822 /nfs/dbraw/zinc/05/48/22/185054822.db2.gz XUYSZMIVPBKIDC-CYBMUJFWSA-N 1 0 283.437 2.500 50 0 CFAARO C[C@@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)C1CCOCC1 ZINC000095985375 185055362 /nfs/dbraw/zinc/05/53/62/185055362.db2.gz UHGLYDKBYHOGNG-RISCZKNCSA-N 1 0 296.436 2.899 50 0 CFAARO O=C(Nc1ccsc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000095984832 185055578 /nfs/dbraw/zinc/05/55/78/185055578.db2.gz ZIVUIAYMCLWVOJ-LBPRGKRZSA-N 1 0 279.409 2.698 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1=O ZINC000095987463 185055824 /nfs/dbraw/zinc/05/58/24/185055824.db2.gz MVBDHEHWANBXLP-HOTGVXAUSA-N 1 0 272.392 2.737 50 0 CFAARO COc1ccccc1CC(C)(C)[NH2+][C@@H]1CCO[C@H]1C ZINC000095991242 185058779 /nfs/dbraw/zinc/05/87/79/185058779.db2.gz MFQPAGCERGYRGE-GXTWGEPZSA-N 1 0 263.381 2.783 50 0 CFAARO CC(C)C(=O)NC1CC[NH+](CCCc2ccsc2)CC1 ZINC000096008309 185064346 /nfs/dbraw/zinc/06/43/46/185064346.db2.gz XNEPTHBLXMELHX-UHFFFAOYSA-N 1 0 294.464 2.917 50 0 CFAARO COc1ccc(Cc2cnc([C@H]3CCC[NH2+]C3)o2)cc1 ZINC000096032169 185067550 /nfs/dbraw/zinc/06/75/50/185067550.db2.gz NEXPTPZDRNEWQV-ZDUSSCGKSA-N 1 0 272.348 2.741 50 0 CFAARO COc1ccc(Cc2cnc([C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000096032168 185067678 /nfs/dbraw/zinc/06/76/78/185067678.db2.gz NEXPTPZDRNEWQV-CYBMUJFWSA-N 1 0 272.348 2.741 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000096032909 185068546 /nfs/dbraw/zinc/06/85/46/185068546.db2.gz XKZFPFQDTPFKBF-UVTDQMKNSA-N 1 0 280.371 2.979 50 0 CFAARO C[C@@H](c1cccc(-c2ccc(N(C)C)nn2)c1)[NH+](C)C ZINC000096139246 185105963 /nfs/dbraw/zinc/10/59/63/185105963.db2.gz KKFVVKPFBKCQAY-LBPRGKRZSA-N 1 0 270.380 2.832 50 0 CFAARO CC[N@@H+]1CC[C@H](c2nc(-c3ccncc3)nn2C(C)C)C1 ZINC000096148107 185106839 /nfs/dbraw/zinc/10/68/39/185106839.db2.gz NARJJSDQFKDVJU-AWEZNQCLSA-N 1 0 285.395 2.730 50 0 CFAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)Cn1cncn1 ZINC000097032476 185155736 /nfs/dbraw/zinc/15/57/36/185155736.db2.gz ISLPJLLWENTGAM-IPYPFGDCSA-N 1 0 270.380 2.813 50 0 CFAARO O=C1CCCN1CC[NH2+]C1(c2ccccc2)CCCC1 ZINC000097033490 185156356 /nfs/dbraw/zinc/15/63/56/185156356.db2.gz YTBFUQGTDDRWTQ-UHFFFAOYSA-N 1 0 272.392 2.668 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1CO)c1cccc(CO)c1 ZINC000097035134 185157211 /nfs/dbraw/zinc/15/72/11/185157211.db2.gz LWLQNHNSMRXRQH-XKQJLSEDSA-N 1 0 277.408 2.771 50 0 CFAARO COc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1SC ZINC000068806583 346871124 /nfs/dbraw/zinc/87/11/24/346871124.db2.gz KFGBLAMQSKLDNG-CYBMUJFWSA-N 1 0 281.421 2.764 50 0 CFAARO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000096455603 529450197 /nfs/dbraw/zinc/45/01/97/529450197.db2.gz URVHQZPJVOGIPC-PZROIBLQSA-N 1 0 286.466 2.621 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2CC)o1 ZINC000069624052 346897426 /nfs/dbraw/zinc/89/74/26/346897426.db2.gz CIVVQHRXKYUSAJ-GJZGRUSLSA-N 1 0 290.407 2.931 50 0 CFAARO Cc1nn(-c2ccccc2)cc1CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000097095610 282244304 /nfs/dbraw/zinc/24/43/04/282244304.db2.gz QWODRMFPDPNWKV-KDOFPFPSSA-N 1 0 298.434 2.882 50 0 CFAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000300411667 539380727 /nfs/dbraw/zinc/38/07/27/539380727.db2.gz OYXYHSTZPNAVOP-QEJZJMRPSA-N 1 0 261.365 2.651 50 0 CFAARO CCCC[C@H](O)C1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000065288685 539379295 /nfs/dbraw/zinc/37/92/95/539379295.db2.gz IBVRZGGQIJQSSB-INIZCTEOSA-N 1 0 279.428 2.666 50 0 CFAARO Cc1nnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000091476095 282319006 /nfs/dbraw/zinc/31/90/06/282319006.db2.gz ZQNJEWRDGONXOJ-AWEZNQCLSA-N 1 0 294.468 2.795 50 0 CFAARO CCOCC[N@@H+]1CCN(c2cccc(OC)c2)C(C)(C)C1 ZINC000823331707 781924295 /nfs/dbraw/zinc/92/42/95/781924295.db2.gz NCDUQRDMOBQAGZ-UHFFFAOYSA-N 1 0 292.423 2.632 50 0 CFAARO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000075128173 347057648 /nfs/dbraw/zinc/05/76/48/347057648.db2.gz FKMNKGLAXVPNMQ-PMPSAXMXSA-N 1 0 295.471 2.794 50 0 CFAARO C[C@@H]1c2cccn2CC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000025313360 539433384 /nfs/dbraw/zinc/43/33/84/539433384.db2.gz BWBNAHOSDQEWRC-MLGOLLRUSA-N 1 0 274.339 2.737 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@H](C)CN1CCc2ccccc2C1 ZINC000067955225 282387104 /nfs/dbraw/zinc/38/71/04/282387104.db2.gz YKBLLWFDODZXSQ-ZDUSSCGKSA-N 1 0 299.418 2.828 50 0 CFAARO CN(CC1CC[NH+](C)CC1)C(=S)Nc1ccccc1 ZINC000013577114 282393918 /nfs/dbraw/zinc/39/39/18/282393918.db2.gz NBUNYLMNCMFLGF-UHFFFAOYSA-N 1 0 277.437 2.657 50 0 CFAARO Cc1noc(C)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000096465878 232179475 /nfs/dbraw/zinc/17/94/75/232179475.db2.gz GUCHOEMJAJULPY-CQSZACIVSA-N 1 0 280.755 2.768 50 0 CFAARO Cc1noc(C)c1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000096465876 232180236 /nfs/dbraw/zinc/18/02/36/232180236.db2.gz GUCHOEMJAJULPY-AWEZNQCLSA-N 1 0 280.755 2.768 50 0 CFAARO COc1ccccc1C(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000097229836 185568890 /nfs/dbraw/zinc/56/88/90/185568890.db2.gz GYURAHQAXZCKIV-UHFFFAOYSA-N 1 0 287.407 2.805 50 0 CFAARO C[C@H](c1cccc(-c2cc(N)ncn2)c1)[NH+]1CCCC1 ZINC000097288872 185580224 /nfs/dbraw/zinc/58/02/24/185580224.db2.gz FGEOACYCMYCCEL-GFCCVEGCSA-N 1 0 268.364 2.883 50 0 CFAARO Clc1ccc(C2(CNC3=[NH+]CCN3)CCCC2)cc1 ZINC000069658170 539511490 /nfs/dbraw/zinc/51/14/90/539511490.db2.gz GTXOLJSRWSMSDP-UHFFFAOYSA-N 1 0 277.799 2.701 50 0 CFAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000299740452 539512165 /nfs/dbraw/zinc/51/21/65/539512165.db2.gz ZZCCDGAYMGUORZ-IINYFYTJSA-N 1 0 284.762 2.561 50 0 CFAARO CC[NH+](CC)CCN1C(=O)CS[C@H]1c1ccccc1 ZINC000001646624 346206331 /nfs/dbraw/zinc/20/63/31/346206331.db2.gz IAWAYXPVALMEET-HNNXBMFYSA-N 1 0 278.421 2.602 50 0 CFAARO C[C@H](COC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000004855987 346210420 /nfs/dbraw/zinc/21/04/20/346210420.db2.gz XLDFOJQHGJNJKW-NVXWUHKLSA-N 1 0 277.408 2.654 50 0 CFAARO C[C@H](COC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000004855992 346210496 /nfs/dbraw/zinc/21/04/96/346210496.db2.gz XLDFOJQHGJNJKW-WBVHZDCISA-N 1 0 277.408 2.654 50 0 CFAARO [NH3+]Cc1ccc(Br)cc1OCC(F)(F)F ZINC000036985449 346325923 /nfs/dbraw/zinc/32/59/23/346325923.db2.gz UHTZJALPVMYMAV-UHFFFAOYSA-N 1 0 284.075 2.849 50 0 CFAARO O=C(C1=CC[N@H+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000064541799 346722509 /nfs/dbraw/zinc/72/25/09/346722509.db2.gz KEUMCFKSRRDFOG-UHFFFAOYSA-N 1 0 284.403 2.831 50 0 CFAARO C[NH+](C)CCCNC(=O)c1cc2cn(C3CC3)cc2s1 ZINC000065285632 346733251 /nfs/dbraw/zinc/73/32/51/346733251.db2.gz RCLDNZCTROQXHO-UHFFFAOYSA-N 1 0 291.420 2.719 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1 ZINC000076056499 347117223 /nfs/dbraw/zinc/11/72/23/347117223.db2.gz ORRGCMLJAALSQA-GRDNDAEWSA-N 1 0 286.419 2.984 50 0 CFAARO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000076083881 347119672 /nfs/dbraw/zinc/11/96/72/347119672.db2.gz IYCHRBVCXRFZCH-CABCVRRESA-N 1 0 274.408 2.603 50 0 CFAARO CC(C)=CCC[C@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000090662528 347553900 /nfs/dbraw/zinc/55/39/00/347553900.db2.gz HOTYMJMLPHMVKU-AWEZNQCLSA-N 1 0 255.402 2.500 50 0 CFAARO C[C@H](C[NH2+][C@@H]1CCO[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911691 347562890 /nfs/dbraw/zinc/56/28/90/347562890.db2.gz DZBPNPOHHXTWNR-MBNYWOFBSA-N 1 0 287.363 2.607 50 0 CFAARO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000091692690 347595736 /nfs/dbraw/zinc/59/57/36/347595736.db2.gz QOHOSDXPUXGUNY-ZDUSSCGKSA-N 1 0 283.318 2.707 50 0 CFAARO O[C@]1(c2ccccc2)CCC[NH2+][C@@H]1Cc1ccccc1 ZINC000096027078 347700331 /nfs/dbraw/zinc/70/03/31/347700331.db2.gz DTHAJUWHWQFHKJ-MSOLQXFVSA-N 1 0 267.372 2.869 50 0 CFAARO CC(=O)NC1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000096009701 347700369 /nfs/dbraw/zinc/70/03/69/347700369.db2.gz ZFGOJSSINZVBSN-UHFFFAOYSA-N 1 0 297.402 2.957 50 0 CFAARO CCOC(=O)[C@]1([NH+]2CCCCC2)CCC[C@@H](C)C1 ZINC000096026499 347700424 /nfs/dbraw/zinc/70/04/24/347700424.db2.gz VEMHIJAWDWPELQ-HIFRSBDPSA-N 1 0 253.386 2.984 50 0 CFAARO O[C@@]1(c2ccccc2)CCC[NH2+][C@@H]1Cc1ccccc1 ZINC000096027076 347700545 /nfs/dbraw/zinc/70/05/45/347700545.db2.gz DTHAJUWHWQFHKJ-QZTJIDSGSA-N 1 0 267.372 2.869 50 0 CFAARO C[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000097373005 347708392 /nfs/dbraw/zinc/70/83/92/347708392.db2.gz FRRPKHYAGQYJEL-OCCSQVGLSA-N 1 0 262.401 2.810 50 0 CFAARO OCCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000097372116 347708804 /nfs/dbraw/zinc/70/88/04/347708804.db2.gz RXJMAFCUESBDGA-GFCCVEGCSA-N 1 0 273.298 2.877 50 0 CFAARO c1oc2ccccc2c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000097377000 347709371 /nfs/dbraw/zinc/70/93/71/347709371.db2.gz YDKCOJXSAFPWOG-UHFFFAOYSA-N 1 0 273.332 2.772 50 0 CFAARO COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)ccc1F ZINC000110700608 347748962 /nfs/dbraw/zinc/74/89/62/347748962.db2.gz FLOAITLRNRQRGY-GVXVVHGQSA-N 1 0 267.344 2.910 50 0 CFAARO Cc1ccc(C)c([C@@H](O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000110696394 347748994 /nfs/dbraw/zinc/74/89/94/347748994.db2.gz KUQNDSSCFWRYIV-ZFWWWQNUSA-N 1 0 265.422 2.774 50 0 CFAARO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2nncn2C)C1 ZINC000132215370 347883476 /nfs/dbraw/zinc/88/34/76/347883476.db2.gz QTJHQXPAKBJQDZ-RDJZCZTQSA-N 1 0 298.434 2.873 50 0 CFAARO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](c2nncn2C)C1 ZINC000132215547 347883531 /nfs/dbraw/zinc/88/35/31/347883531.db2.gz QTJHQXPAKBJQDZ-WBVHZDCISA-N 1 0 298.434 2.873 50 0 CFAARO CC(C)NC(=O)NCC1([NH3+])CCC(C(C)(C)C)CC1 ZINC000725254903 539585447 /nfs/dbraw/zinc/58/54/47/539585447.db2.gz JHFNQVHSRKMWBX-UHFFFAOYSA-N 1 0 269.433 2.628 50 0 CFAARO CCC1CCC([NH3+])(CNC(=O)NC2CCCC2)CC1 ZINC000725254762 539586368 /nfs/dbraw/zinc/58/63/68/539586368.db2.gz APCQVAAQVMXVDT-UHFFFAOYSA-N 1 0 267.417 2.526 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000678925015 539594243 /nfs/dbraw/zinc/59/42/43/539594243.db2.gz VQEJXAOQSRRAET-ARFHVFGLSA-N 1 0 272.392 2.827 50 0 CFAARO C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000159271949 348011105 /nfs/dbraw/zinc/01/11/05/348011105.db2.gz NOMGQUVCSAJTAJ-CVEARBPZSA-N 1 0 298.434 2.875 50 0 CFAARO O[C@@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccco1 ZINC000170073235 348053648 /nfs/dbraw/zinc/05/36/48/348053648.db2.gz MUVOVEAYRGTMJS-KBPBESRZSA-N 1 0 291.322 2.956 50 0 CFAARO c1nc(C2CCC2)sc1CN1CCCC2(C1)OCCO2 ZINC000170595391 348055240 /nfs/dbraw/zinc/05/52/40/348055240.db2.gz QLWQLILSSOSGFH-UHFFFAOYSA-N 1 0 294.420 2.750 50 0 CFAARO COC1(C[NH2+][C@H]2CCCNc3ccccc32)CCOCC1 ZINC000193037332 348141565 /nfs/dbraw/zinc/14/15/65/348141565.db2.gz QZHOUGNUYWGASJ-INIZCTEOSA-N 1 0 290.407 2.719 50 0 CFAARO O=C1OCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000195570167 348146862 /nfs/dbraw/zinc/14/68/62/348146862.db2.gz PQRXQGCHNNGNSM-GARJFASQSA-N 1 0 279.302 2.650 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](c1cnn(C)c1)N(C)C ZINC000248431423 348273465 /nfs/dbraw/zinc/27/34/65/348273465.db2.gz XQXOHRNEXWTKJB-BHYGNILZSA-N 1 0 290.455 2.605 50 0 CFAARO Cc1cccc2ncn(CC3(C[NH+]4CCCC4)CC3)c(=O)c12 ZINC000584888594 348728427 /nfs/dbraw/zinc/72/84/27/348728427.db2.gz QOAXWEMRLFBVAF-UHFFFAOYSA-N 1 0 297.402 2.581 50 0 CFAARO CN(Cc1cccc(O)c1Cl)C[C@@H]1CCCC[N@@H+]1C ZINC000584892659 348728980 /nfs/dbraw/zinc/72/89/80/348728980.db2.gz CCIGHWBEQQHBEX-ZDUSSCGKSA-N 1 0 282.815 2.962 50 0 CFAARO CN(Cc1cccc(O)c1Cl)C[C@H]1CCCC[N@@H+]1C ZINC000584892658 348729382 /nfs/dbraw/zinc/72/93/82/348729382.db2.gz CCIGHWBEQQHBEX-CYBMUJFWSA-N 1 0 282.815 2.962 50 0 CFAARO COc1cccc(-c2cc(C[NH2+]C3CCOCC3)on2)c1 ZINC000584890553 348729417 /nfs/dbraw/zinc/72/94/17/348729417.db2.gz APHVVRLPIRAUCC-UHFFFAOYSA-N 1 0 288.347 2.619 50 0 CFAARO O=C(Cc1ccsc1)N1CC[NH+](CC2CCCC2)CC1 ZINC000584898361 348731478 /nfs/dbraw/zinc/73/14/78/348731478.db2.gz OHTFDNKLBNKDAL-UHFFFAOYSA-N 1 0 292.448 2.625 50 0 CFAARO Clc1ccc2[nH]c(CCC[NH2+][C@H]3CCOC3)nc2c1 ZINC000584900025 348732265 /nfs/dbraw/zinc/73/22/65/348732265.db2.gz TZQAJULVJLHGPA-NSHDSACASA-N 1 0 279.771 2.527 50 0 CFAARO Cc1nc2cc(C[NH2+]C3CSCCSC3)ccc2[nH]1 ZINC000584902624 348733175 /nfs/dbraw/zinc/73/31/75/348733175.db2.gz QSJWDVXRTZDGRP-UHFFFAOYSA-N 1 0 293.461 2.810 50 0 CFAARO Fc1cc(F)cc(C2([NH2+][C@@H]3CN4CCC3CC4)CC2)c1 ZINC000584903815 348733565 /nfs/dbraw/zinc/73/35/65/348733565.db2.gz HHLPBJHXFPTRHH-OAHLLOKOSA-N 1 0 278.346 2.638 50 0 CFAARO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccn(C)n1 ZINC000414059652 233155920 /nfs/dbraw/zinc/15/59/20/233155920.db2.gz WWEJDVMKUUWDTK-UKRRQHHQSA-N 1 0 288.395 2.501 50 0 CFAARO Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@@H]2C)c(Cl)c1 ZINC000089669809 179844291 /nfs/dbraw/zinc/84/42/91/179844291.db2.gz OONBXFUBVRSSGW-DGCLKSJQSA-N 1 0 296.798 2.744 50 0 CFAARO COC1(C[NH2+][C@H](C)c2cccs2)CCOCC1 ZINC000090652638 180018743 /nfs/dbraw/zinc/01/87/43/180018743.db2.gz PKLYYEKWXLWUEO-LLVKDONJSA-N 1 0 255.383 2.594 50 0 CFAARO CCc1nc2c(s1)[C@@H]([NH2+]Cc1cnn(C)c1C)CCC2 ZINC000090888288 180053811 /nfs/dbraw/zinc/05/38/11/180053811.db2.gz VMYMSAAIGZZFTJ-LBPRGKRZSA-N 1 0 290.436 2.915 50 0 CFAARO Cc1noc(C[NH2+][C@@H](C)Cc2ccc(Cl)cc2)n1 ZINC000091333004 180136214 /nfs/dbraw/zinc/13/62/14/180136214.db2.gz DHTPYILBRUXBDU-VIFPVBQESA-N 1 0 265.744 2.752 50 0 CFAARO NC(=O)c1cccc(C[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000091468678 180164736 /nfs/dbraw/zinc/16/47/36/180164736.db2.gz JNNLFCVGPWPRNJ-AWEZNQCLSA-N 1 0 272.392 2.593 50 0 CFAARO CCSc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)s1 ZINC000091650600 180216374 /nfs/dbraw/zinc/21/63/74/180216374.db2.gz HZQPHUXMQVDSDZ-MNOVXSKESA-N 1 0 296.461 2.669 50 0 CFAARO CCC[C@H]1CN(C(=O)CCC(F)(F)F)C[C@@H]1[NH+](C)C ZINC000091665302 180221282 /nfs/dbraw/zinc/22/12/82/180221282.db2.gz NWXQUGWICBMDDA-QWRGUYRKSA-N 1 0 280.334 2.518 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccc(Cl)s1 ZINC000091792921 180257625 /nfs/dbraw/zinc/25/76/25/180257625.db2.gz RIEBMFMXEAFHJF-NSHDSACASA-N 1 0 286.828 2.892 50 0 CFAARO CC(C)c1ncc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)cn1 ZINC000091859325 180275698 /nfs/dbraw/zinc/27/56/98/180275698.db2.gz QBCJFRUMPSRRFC-INIZCTEOSA-N 1 0 277.412 2.583 50 0 CFAARO Fc1ccc(/C=C/C[N@@H+]2CCOC3(CCOCC3)C2)cc1 ZINC000091895734 180282101 /nfs/dbraw/zinc/28/21/01/180282101.db2.gz LNKHYSLOIVYXTE-OWOJBTEDSA-N 1 0 291.366 2.720 50 0 CFAARO Cc1cc(C)c2[nH]c(C[NH2+]CCc3c[nH]cn3)cc(=O)c2c1 ZINC000092077299 180317371 /nfs/dbraw/zinc/31/73/71/180317371.db2.gz FPYDEUNSVUEKIF-UHFFFAOYSA-N 1 0 296.374 2.613 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000105878739 186081592 /nfs/dbraw/zinc/08/15/92/186081592.db2.gz NLEXLHMLXWWAIQ-MGPQQGTHSA-N 1 0 292.427 2.769 50 0 CFAARO C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)[C@@H](C)CO1 ZINC000105955014 186095022 /nfs/dbraw/zinc/09/50/22/186095022.db2.gz ZEXGNYPGIWZEGZ-QWHCGFSZSA-N 1 0 267.344 2.704 50 0 CFAARO COc1ccc(C[NH2+]C[C@H]2CCCO2)c(Cl)c1OC ZINC000106366474 186110995 /nfs/dbraw/zinc/11/09/95/186110995.db2.gz XBMJUCVQGPDEGO-LLVKDONJSA-N 1 0 285.771 2.626 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccco1 ZINC000106620256 186129506 /nfs/dbraw/zinc/12/95/06/186129506.db2.gz DOENIXQLBWKQEH-CHWSQXEVSA-N 1 0 264.369 2.721 50 0 CFAARO CCOCC[N@@H+]1CCN([C@H](C)c2cccnc2)C[C@@H]1CC ZINC000106777354 186135764 /nfs/dbraw/zinc/13/57/64/186135764.db2.gz MSLCFPUXBGDRFS-WBVHZDCISA-N 1 0 291.439 2.575 50 0 CFAARO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)c2ccccc2)C1 ZINC000107145129 186160929 /nfs/dbraw/zinc/16/09/29/186160929.db2.gz OSWISLHGYOIZBU-KFWWJZLASA-N 1 0 265.422 2.936 50 0 CFAARO C[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)[C@H]1CO ZINC000107532998 186177023 /nfs/dbraw/zinc/17/70/23/186177023.db2.gz SMJLIBIQRQRUES-LRDDRELGSA-N 1 0 288.366 2.967 50 0 CFAARO C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000606441611 351270210 /nfs/dbraw/zinc/27/02/10/351270210.db2.gz RVELEAURWSOQLH-JHQFHEGESA-N 1 0 276.355 2.567 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1Cl ZINC000122300513 187025290 /nfs/dbraw/zinc/02/52/90/187025290.db2.gz WAIKMASDWYPWHL-QMMMGPOBSA-N 1 0 273.163 2.557 50 0 CFAARO CC[NH2+]Cc1cccc(NC(=O)CC2CCOCC2)c1 ZINC000124068514 187120754 /nfs/dbraw/zinc/12/07/54/187120754.db2.gz BJBZRRPBQHUVAF-UHFFFAOYSA-N 1 0 276.380 2.551 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(F)c(CSC)c2)C1 ZINC000133630204 187697708 /nfs/dbraw/zinc/69/77/08/187697708.db2.gz KBTNQBPSPJGOKA-ZDUSSCGKSA-N 1 0 296.411 2.513 50 0 CFAARO CCc1ccc(C(=O)N2CCC[N@@H+](C3CCC3)CC2)cc1 ZINC000823510550 781929717 /nfs/dbraw/zinc/92/97/17/781929717.db2.gz QPRYNPOFQYTYQN-UHFFFAOYSA-N 1 0 286.419 2.949 50 0 CFAARO Cc1oc(C)c(C(=O)NCC(C)(C)C[NH+](C)C)c1C ZINC000048416309 539935888 /nfs/dbraw/zinc/93/58/88/539935888.db2.gz KGKQPOLMCWEXLP-UHFFFAOYSA-N 1 0 266.385 2.522 50 0 CFAARO COc1c(N)cc[nH+]c1-c1cccc2cccnc21 ZINC000216221137 539970565 /nfs/dbraw/zinc/97/05/65/539970565.db2.gz XZEARAGZNAZWNT-UHFFFAOYSA-N 1 0 251.289 2.888 50 0 CFAARO COc1cc(C[C@@H](C)[NH2+]Cc2scnc2C)ccn1 ZINC000630059715 354994173 /nfs/dbraw/zinc/99/41/73/354994173.db2.gz FDPONFGTJJNTMJ-SNVBAGLBSA-N 1 0 277.393 2.576 50 0 CFAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2cccs2)cn1 ZINC000083843544 540185292 /nfs/dbraw/zinc/18/52/92/540185292.db2.gz LRGLZXQWEDNZBI-WFASDCNBSA-N 1 0 291.420 2.832 50 0 CFAARO COc1nc(C)cc(C)c1C[NH2+]Cc1cccc2c[nH]nc21 ZINC000084020060 540192095 /nfs/dbraw/zinc/19/20/95/540192095.db2.gz CJTYNLBMSHKKRK-UHFFFAOYSA-N 1 0 296.374 2.873 50 0 CFAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1occc1C ZINC000084736267 540207419 /nfs/dbraw/zinc/20/74/19/540207419.db2.gz DSWPNJDWXRIYKD-LSDHHAIUSA-N 1 0 292.423 2.961 50 0 CFAARO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000090801329 540380059 /nfs/dbraw/zinc/38/00/59/540380059.db2.gz VOFSUVJUCVJWCW-LSDHHAIUSA-N 1 0 285.391 2.864 50 0 CFAARO Cc1ccc2nc(C[NH+]3CCCCCCC3)cc(=O)n2c1 ZINC000007390147 540388926 /nfs/dbraw/zinc/38/89/26/540388926.db2.gz CIYFQSFRQCLHSA-UHFFFAOYSA-N 1 0 285.391 2.769 50 0 CFAARO OC1CC[NH+](Cc2ccccc2NC2CCCC2)CC1 ZINC000092135264 540405288 /nfs/dbraw/zinc/40/52/88/540405288.db2.gz QMCKZJVTZSEBGS-UHFFFAOYSA-N 1 0 274.408 2.998 50 0 CFAARO CC(C)(O)C[NH2+][C@H]1CCCSc2ccccc21 ZINC000095422257 540724051 /nfs/dbraw/zinc/72/40/51/540724051.db2.gz UDTZJDYQMLNAIU-LBPRGKRZSA-N 1 0 251.395 2.974 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCC1(C)C ZINC000095423716 540724164 /nfs/dbraw/zinc/72/41/64/540724164.db2.gz AFLLYBHYYQLVLV-RYUDHWBXSA-N 1 0 262.401 2.844 50 0 CFAARO CN1CCC[C@@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420739 540724206 /nfs/dbraw/zinc/72/42/06/540724206.db2.gz ZTAQURGHGIAELD-UKRRQHHQSA-N 1 0 260.381 2.584 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000095991483 540726383 /nfs/dbraw/zinc/72/63/83/540726383.db2.gz HTWLCHYMKNHREK-ZANVPECISA-N 1 0 255.308 2.967 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000089689243 540718772 /nfs/dbraw/zinc/71/87/72/540718772.db2.gz MAZDZRYBPOFSBI-RYQLBKOJSA-N 1 0 298.430 2.795 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000179468766 189196319 /nfs/dbraw/zinc/19/63/19/189196319.db2.gz CGQMFUISWZMSLZ-INIZCTEOSA-N 1 0 270.380 2.732 50 0 CFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CC[C@H]1CC1(F)F ZINC000670439325 540994369 /nfs/dbraw/zinc/99/43/69/540994369.db2.gz LNJVLJCHSBLYFU-LBPRGKRZSA-N 1 0 271.355 2.936 50 0 CFAARO Cc1cc(C)c(C[N@H+](C)C[C@@H]2CCOC2)c(-n2cccn2)c1 ZINC000670437723 540994461 /nfs/dbraw/zinc/99/44/61/540994461.db2.gz QVBNGEQCQNMXLP-INIZCTEOSA-N 1 0 299.418 2.957 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 ZINC000670438582 540995119 /nfs/dbraw/zinc/99/51/19/540995119.db2.gz JSYCUOZGOUAKOR-SNVBAGLBSA-N 1 0 288.222 2.914 50 0 CFAARO O=C1CCCN1C[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000670443124 540996806 /nfs/dbraw/zinc/99/68/06/540996806.db2.gz IJIKFRVAZURHBE-INIZCTEOSA-N 1 0 276.424 2.821 50 0 CFAARO OC1(c2ccccn2)CC[NH+](CC2=CCCCC2)CC1 ZINC000670445196 540997393 /nfs/dbraw/zinc/99/73/93/540997393.db2.gz KVUBLSBVBAKDQQ-UHFFFAOYSA-N 1 0 272.392 2.865 50 0 CFAARO C[N@H+](Cc1ccc(Cl)o1)CC1(CO)CCCC1 ZINC000670448459 540998038 /nfs/dbraw/zinc/99/80/38/540998038.db2.gz YWHKRLAYNUEPOQ-UHFFFAOYSA-N 1 0 257.761 2.918 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cnc(C)c(C)c2)n1 ZINC000670449727 540998884 /nfs/dbraw/zinc/99/88/84/540998884.db2.gz RADQVPBNCZGBHM-CYBMUJFWSA-N 1 0 272.396 2.690 50 0 CFAARO CCC[C@]1(CO)CCC[N@H+](CCCn2cccc2)C1 ZINC000670454388 541000615 /nfs/dbraw/zinc/00/06/15/541000615.db2.gz GRNQAJQJFDDPNQ-INIZCTEOSA-N 1 0 264.413 2.753 50 0 CFAARO CCCCn1nc(C)nc1CCC1CC[NH+](C)CC1 ZINC000670455105 541001221 /nfs/dbraw/zinc/00/12/21/541001221.db2.gz WJIMGGAAEGANAE-UHFFFAOYSA-N 1 0 264.417 2.661 50 0 CFAARO COCC1(CNC(=O)[C@@H](C)[N@H+](C)C2CCCCC2)CCC1 ZINC000670456709 541001577 /nfs/dbraw/zinc/00/15/77/541001577.db2.gz HSSJQWRVROOEDR-CQSZACIVSA-N 1 0 296.455 2.572 50 0 CFAARO Cc1nccc(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000670460985 541003036 /nfs/dbraw/zinc/00/30/36/541003036.db2.gz WNLVXSODAPGWCI-UHFFFAOYSA-N 1 0 274.412 2.630 50 0 CFAARO Cc1cccc(-n2ncnc2CCC[NH+]2CCCCCC2)n1 ZINC000670465140 541005942 /nfs/dbraw/zinc/00/59/42/541005942.db2.gz LYTVRPZHPXZKRW-UHFFFAOYSA-N 1 0 299.422 2.779 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)c1ccc2ccccc2c1 ZINC000181507704 189298759 /nfs/dbraw/zinc/29/87/59/189298759.db2.gz FJQMOSMNJOJJOC-RDTXWAMCSA-N 1 0 295.386 2.748 50 0 CFAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1nccs1 ZINC000184553574 189389174 /nfs/dbraw/zinc/38/91/74/189389174.db2.gz WXTMSRZASWSUGT-QWRGUYRKSA-N 1 0 297.424 2.679 50 0 CFAARO O=C1OCCN1CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189313430 189529871 /nfs/dbraw/zinc/52/98/71/189529871.db2.gz AXDNOQXRSXXTSF-GHMZBOCLSA-N 1 0 294.317 2.539 50 0 CFAARO [NH3+]C1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)CC1 ZINC000204488653 189684461 /nfs/dbraw/zinc/68/44/61/189684461.db2.gz KPBDWUMWYLAIDQ-SNAWJCMRSA-N 1 0 299.201 2.956 50 0 CFAARO Cc1c(F)cccc1-c1ccc(C[NH2+]CC[S@@](C)=O)o1 ZINC000225395196 189748884 /nfs/dbraw/zinc/74/88/84/189748884.db2.gz AUDJRKHNIMEGNV-HXUWFJFHSA-N 1 0 295.379 2.862 50 0 CFAARO Cc1cc(Cl)cc2nc(N3CCC[NH2+]CC3)oc21 ZINC000000008739 371507999 /nfs/dbraw/zinc/50/79/99/371507999.db2.gz QPKABSXJDCZNKQ-UHFFFAOYSA-N 1 0 265.744 2.589 50 0 CFAARO CC(=O)N1C[C@@H](C)c2scc(C)[n+]2-c2ccccc21 ZINC000000112689 371533037 /nfs/dbraw/zinc/53/30/37/371533037.db2.gz VZQZACSXLGCRFP-SNVBAGLBSA-N 1 0 273.381 2.803 50 0 CFAARO O=C(CC[NH+]1CCCC1)Nc1ccc(Br)cc1 ZINC000000176178 371549970 /nfs/dbraw/zinc/54/99/70/371549970.db2.gz BOKSTEVBDOXAQL-UHFFFAOYSA-N 1 0 297.196 2.874 50 0 CFAARO COc1ccccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000000176538 371550073 /nfs/dbraw/zinc/55/00/73/371550073.db2.gz HZVIOVKMNNTTGS-UHFFFAOYSA-N 1 0 276.380 2.900 50 0 CFAARO COC(=O)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000000192435 371554577 /nfs/dbraw/zinc/55/45/77/371554577.db2.gz LRVCJVAZSWBRAM-UHFFFAOYSA-N 1 0 269.344 2.929 50 0 CFAARO CC(=O)N1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000000214169 371561085 /nfs/dbraw/zinc/56/10/85/371561085.db2.gz OMTMKINFKHOSIC-KRWDZBQOSA-N 1 0 272.392 2.665 50 0 CFAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000000216271 371561434 /nfs/dbraw/zinc/56/14/34/371561434.db2.gz FVNDYMXSBAPSHU-INIZCTEOSA-N 1 0 268.360 2.537 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000000237697 371564542 /nfs/dbraw/zinc/56/45/42/371564542.db2.gz MQGQVPXXDSPQIX-HNNXBMFYSA-N 1 0 291.391 2.860 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000238231 371564991 /nfs/dbraw/zinc/56/49/91/371564991.db2.gz FYPCAMHWDVEOGV-HNNXBMFYSA-N 1 0 292.398 2.906 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000000240658 371566516 /nfs/dbraw/zinc/56/65/16/371566516.db2.gz PLANBLODNBIJCJ-UHFFFAOYSA-N 1 0 265.328 2.601 50 0 CFAARO Cc1[nH]c2ccc(C(=O)OCC[NH+](C)C)cc2c1C ZINC000000247661 371569020 /nfs/dbraw/zinc/56/90/20/371569020.db2.gz PKHAGSAEGXDDJI-UHFFFAOYSA-N 1 0 260.337 2.503 50 0 CFAARO C[NH+]1CCC(OC(=O)c2cccc(Br)c2)CC1 ZINC000000383075 371600096 /nfs/dbraw/zinc/60/00/96/371600096.db2.gz QVCNOONEHBXBPR-UHFFFAOYSA-N 1 0 298.180 2.700 50 0 CFAARO Cn1cc([C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000000387467 371602366 /nfs/dbraw/zinc/60/23/66/371602366.db2.gz HLWNYANZZQSAKD-INIZCTEOSA-N 1 0 258.365 2.698 50 0 CFAARO COc1ccc(C(=O)Cn2c(N)[nH+]c3ccccc32)cc1 ZINC000000508180 371632243 /nfs/dbraw/zinc/63/22/43/371632243.db2.gz JBKFSGHVUVRVBG-UHFFFAOYSA-N 1 0 281.315 2.510 50 0 CFAARO CN1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000000757757 371649009 /nfs/dbraw/zinc/64/90/09/371649009.db2.gz RNFPTXMWZVOWLP-UHFFFAOYSA-N 1 0 283.213 2.633 50 0 CFAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000000757382 371649105 /nfs/dbraw/zinc/64/91/05/371649105.db2.gz CCUNGRJBQVKFMK-UHFFFAOYSA-N 1 0 259.324 2.820 50 0 CFAARO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000000794534 371649565 /nfs/dbraw/zinc/64/95/65/371649565.db2.gz NHGWYVBPZSKTKV-NSHDSACASA-N 1 0 290.190 2.829 50 0 in-vitro CFAARO Cc1[nH]c2c(cc(F)cc2Br)c1CC[NH3+] ZINC000001235012 371663197 /nfs/dbraw/zinc/66/31/97/371663197.db2.gz YQTMXZUNYPGBIW-UHFFFAOYSA-N 1 0 271.133 2.879 50 0 CFAARO CCCOc1ccc(CCCNC(N)=[NH2+])cc1Cl ZINC000001741918 371705513 /nfs/dbraw/zinc/70/55/13/371705513.db2.gz NKZYWBSMZXJJKO-UHFFFAOYSA-N 1 0 269.776 2.544 50 0 CFAARO CCCOc1ccc2[nH]cc(C3=CC[NH2+]CC3)c2n1 ZINC000001894220 371709745 /nfs/dbraw/zinc/70/97/45/371709745.db2.gz KWQWBZIGHIOKIO-UHFFFAOYSA-N 1 0 257.337 2.728 50 0 in-vitro CFAARO CC[NH+](CC)CCOC(=O)Nc1cccc(C)c1 ZINC000002171805 371718679 /nfs/dbraw/zinc/71/86/79/371718679.db2.gz FTSJRXDGKLXGDK-UHFFFAOYSA-N 1 0 250.342 2.885 50 0 CFAARO Nc1[nH+]c2ccccc2n1CCOc1ccc(F)cc1 ZINC000002575797 371739618 /nfs/dbraw/zinc/73/96/18/371739618.db2.gz DLOUTXSVOGNYMI-UHFFFAOYSA-N 1 0 271.295 2.837 50 0 CFAARO CC[C@H](C)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000002451880 371727701 /nfs/dbraw/zinc/72/77/01/371727701.db2.gz PIVHZCFAQJVQOQ-SMDDNHRTSA-N 1 0 271.788 2.606 50 0 CFAARO O[C@H](C[NH2+]CCOc1ccccc1F)c1ccccc1 ZINC000002643648 371744686 /nfs/dbraw/zinc/74/46/86/371744686.db2.gz DIDHEXCSDODNKO-OAHLLOKOSA-N 1 0 275.323 2.528 50 0 CFAARO CCCOc1ccc(CNCCC[NH+](C)C)cc1OCC ZINC000002647836 371745135 /nfs/dbraw/zinc/74/51/35/371745135.db2.gz KLXOXLOTLXAAQZ-UHFFFAOYSA-N 1 0 294.439 2.915 50 0 CFAARO Cc1cc(OCCOCC[NH+](C)C)ccc1Cl ZINC000002822650 371757153 /nfs/dbraw/zinc/75/71/53/371757153.db2.gz OPWFJYYYXWLXQQ-UHFFFAOYSA-N 1 0 257.761 2.605 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cccc(Br)c1 ZINC000002836397 371758749 /nfs/dbraw/zinc/75/87/49/371758749.db2.gz HPBRRHDZLZINMR-UHFFFAOYSA-N 1 0 299.212 2.521 50 0 CFAARO C[NH+](C)CCCNC(=O)Nc1ccccc1C(F)(F)F ZINC000002854604 371759373 /nfs/dbraw/zinc/75/93/73/371759373.db2.gz LVYDAIXOZSHWRK-UHFFFAOYSA-N 1 0 289.301 2.779 50 0 CFAARO CC(C)[N@H+](C)CCOC(=O)c1ccc(Cl)cc1 ZINC000002971404 371767108 /nfs/dbraw/zinc/76/71/08/371767108.db2.gz LXVAGLRESFCJNM-UHFFFAOYSA-N 1 0 255.745 2.837 50 0 CFAARO CCOc1ccccc1OCCOCC[NH2+][C@@H](C)CC ZINC000003001168 371769202 /nfs/dbraw/zinc/76/92/02/371769202.db2.gz GUNLAVLAQSULAY-AWEZNQCLSA-N 1 0 281.396 2.869 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000003121261 371773744 /nfs/dbraw/zinc/77/37/44/371773744.db2.gz FEWAVADKNUBHTQ-INIZCTEOSA-N 1 0 271.360 2.525 50 0 CFAARO COc1ccc(C[C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000003156078 371776143 /nfs/dbraw/zinc/77/61/43/371776143.db2.gz PANQQHGRCGEZCM-ULQDDVLXSA-N 1 0 275.392 2.521 50 0 CFAARO O=C(NCCC[NH2+]C1CCCCC1)c1cccnc1Cl ZINC000003257250 371785559 /nfs/dbraw/zinc/78/55/59/371785559.db2.gz SLRJZEVQQQJCDE-UHFFFAOYSA-N 1 0 295.814 2.777 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000003306041 371789253 /nfs/dbraw/zinc/78/92/53/371789253.db2.gz VCHFVQATOVGUED-GFCCVEGCSA-N 1 0 280.799 2.831 50 0 CFAARO CCOCCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000004022706 371829198 /nfs/dbraw/zinc/82/91/98/371829198.db2.gz HTBZHXMIXVIXPP-UHFFFAOYSA-N 1 0 290.451 2.710 50 0 CFAARO COc1ccc([C@@H](CC[NH3+])c2ccc3c(c2)OCO3)cc1 ZINC000004040778 371830782 /nfs/dbraw/zinc/83/07/82/371830782.db2.gz GLFPYQXFXMAJMD-OAHLLOKOSA-N 1 0 285.343 2.905 50 0 CFAARO COC[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003440320 371800490 /nfs/dbraw/zinc/80/04/90/371800490.db2.gz MYJQWHCBMZTOOS-STQMWFEESA-N 1 0 292.423 2.936 50 0 CFAARO COc1cccc(COC[C@H](O)C[NH+](C(C)C)C(C)C)c1 ZINC000003456646 371802416 /nfs/dbraw/zinc/80/24/16/371802416.db2.gz XUJWBAPICOYTQL-MRXNPFEDSA-N 1 0 295.423 2.692 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000003602695 371812667 /nfs/dbraw/zinc/81/26/67/371812667.db2.gz JXUDZCJTCKCTQK-SNVBAGLBSA-N 1 0 263.168 2.607 50 0 in-vitro CFAARO CCOC(=O)C[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000003678299 371813835 /nfs/dbraw/zinc/81/38/35/371813835.db2.gz ZTXFSUQPHPWBCG-VIFPVBQESA-N 1 0 262.136 2.946 50 0 CFAARO Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1C ZINC000004305032 371848862 /nfs/dbraw/zinc/84/88/62/371848862.db2.gz XINALMWSNGYPFY-MRXNPFEDSA-N 1 0 277.408 2.919 50 0 CFAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000004343463 371851744 /nfs/dbraw/zinc/85/17/44/371851744.db2.gz QDFPDGVKOFDMBM-ZDUSSCGKSA-N 1 0 259.328 2.984 50 0 CFAARO CC(=O)N(CCC[NH+](C)C)c1nc2ccc(C)cc2s1 ZINC000004359508 371853495 /nfs/dbraw/zinc/85/34/95/371853495.db2.gz FGCNYWBGEQPXGR-UHFFFAOYSA-N 1 0 291.420 2.909 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1 ZINC000004525498 371862707 /nfs/dbraw/zinc/86/27/07/371862707.db2.gz QOPZYIMIMOWJIU-UHFFFAOYSA-N 1 0 264.369 2.756 50 0 CFAARO COc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000011916204 371935987 /nfs/dbraw/zinc/93/59/87/371935987.db2.gz XCVJDCDEHLWOBF-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO Cc1c2nc(N3CC[NH2+]CC3)sc2ccc1Cl ZINC000011919938 371936912 /nfs/dbraw/zinc/93/69/12/371936912.db2.gz YNNTVTOIQQQNKN-UHFFFAOYSA-N 1 0 267.785 2.668 50 0 CFAARO CCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000006655469 371891294 /nfs/dbraw/zinc/89/12/94/371891294.db2.gz BZYJTNJQADRYCE-GDBMZVCRSA-N 1 0 272.392 2.929 50 0 CFAARO CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010364115 371906469 /nfs/dbraw/zinc/90/64/69/371906469.db2.gz OYXYTWBFTPJQFC-UHFFFAOYSA-N 1 0 260.381 2.812 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000012289073 371950851 /nfs/dbraw/zinc/95/08/51/371950851.db2.gz JRDUHCQHWWEBQK-OWCLPIDISA-N 1 0 277.408 2.998 50 0 CFAARO CNC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000012334206 371953348 /nfs/dbraw/zinc/95/33/48/371953348.db2.gz SAMQCDMALSHJKM-UHFFFAOYSA-N 1 0 288.435 2.942 50 0 CFAARO CCc1ccc(-c2csc3[n+]2CCN3C(C)=O)cc1 ZINC000013110724 372015043 /nfs/dbraw/zinc/01/50/43/372015043.db2.gz DCNREWIBMAGEBA-UHFFFAOYSA-N 1 0 273.381 2.632 50 0 aggregator CFAARO CCOc1ccc(C[NH2+]CCCCCO)cc1Cl ZINC000013727315 372044196 /nfs/dbraw/zinc/04/41/96/372044196.db2.gz GSFJPIXJFJQNQN-UHFFFAOYSA-N 1 0 271.788 2.991 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1F)c1ccsc1 ZINC000013011145 372010056 /nfs/dbraw/zinc/01/00/56/372010056.db2.gz VIXBDQLAYZJWDL-AWEZNQCLSA-N 1 0 292.379 2.920 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1cccs1)c1ccsc1 ZINC000013011188 372011590 /nfs/dbraw/zinc/01/15/90/372011590.db2.gz HIDYMDRGMXJLNL-NSHDSACASA-N 1 0 280.418 2.842 50 0 CFAARO O[C@@H](COC1CCCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000016576904 372110300 /nfs/dbraw/zinc/11/03/00/372110300.db2.gz VIKHUBRGROKZIG-QGZVFWFLSA-N 1 0 289.419 2.755 50 0 CFAARO CCCOc1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000016602264 372112038 /nfs/dbraw/zinc/11/20/38/372112038.db2.gz CJTUKEBDXAXVPQ-UHFFFAOYSA-N 1 0 290.407 2.691 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1O ZINC000016694809 372118282 /nfs/dbraw/zinc/11/82/82/372118282.db2.gz CHNNAOZJHQWWTE-CQSZACIVSA-N 1 0 298.386 2.760 50 0 CFAARO CC[C@@H]([NH2+]Cc1ccc(C)cc1)C(=O)Nc1cc(C)on1 ZINC000014242755 372066002 /nfs/dbraw/zinc/06/60/02/372066002.db2.gz RXWQXJMHPUZSOJ-CQSZACIVSA-N 1 0 287.363 2.798 50 0 CFAARO Cc1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000014631982 372072505 /nfs/dbraw/zinc/07/25/05/372072505.db2.gz QLRVTLBEWUGCBZ-UHFFFAOYSA-N 1 0 270.170 2.888 50 0 CFAARO CC(C)CCC[C@@H]1CN(c2cc[nH+]c(CO)c2)CCO1 ZINC000014980373 372076828 /nfs/dbraw/zinc/07/68/28/372076828.db2.gz XRKHPMDMISFPRQ-MRXNPFEDSA-N 1 0 278.396 2.605 50 0 CFAARO [NH3+]C[C@@H](c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000015109898 372080682 /nfs/dbraw/zinc/08/06/82/372080682.db2.gz FFEOKROBRASMSL-KRWDZBQOSA-N 1 0 265.360 2.796 50 0 CFAARO NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000016156172 372100064 /nfs/dbraw/zinc/10/00/64/372100064.db2.gz OVXHCXQXXLLNRL-ZWKOTPCHSA-N 1 0 294.398 2.778 50 0 CFAARO Cc1ccccc1OCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000016423208 372104690 /nfs/dbraw/zinc/10/46/90/372104690.db2.gz JQLUYHCPBFUGGR-CQSZACIVSA-N 1 0 292.423 2.609 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000019701900 372180922 /nfs/dbraw/zinc/18/09/22/372180922.db2.gz BVUQRLUQFAYYFL-CYBMUJFWSA-N 1 0 279.380 2.751 50 0 CFAARO COc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000019565322 372173502 /nfs/dbraw/zinc/17/35/02/372173502.db2.gz AYYMSWVSPLUJMU-UHFFFAOYSA-N 1 0 274.408 2.755 50 0 CFAARO C[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019536150 372174567 /nfs/dbraw/zinc/17/45/67/372174567.db2.gz UQXIBVPXHBSMGX-UHFFFAOYSA-N 1 0 259.180 2.741 50 0 CFAARO CN(CC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000019607272 372175509 /nfs/dbraw/zinc/17/55/09/372175509.db2.gz UCEGWOOPCFKQFD-UHFFFAOYSA-N 1 0 261.196 2.987 50 0 CFAARO CN(CC[NH+](C)C)Cc1ccc(Cl)cc1Cl ZINC000019606993 372175532 /nfs/dbraw/zinc/17/55/32/372175532.db2.gz VSVOXNSOXGKKTN-UHFFFAOYSA-N 1 0 261.196 2.987 50 0 CFAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000019733186 372182527 /nfs/dbraw/zinc/18/25/27/372182527.db2.gz ADHUQDYAHQDLPE-HNNXBMFYSA-N 1 0 299.374 2.576 50 0 CFAARO CC[NH+](CC)CCN(C)Cc1c(F)cccc1F ZINC000019608872 372177832 /nfs/dbraw/zinc/17/78/32/372177832.db2.gz WQJXFZWBRLGWPM-UHFFFAOYSA-N 1 0 256.340 2.738 50 0 CFAARO Cc1ccccc1OCCCCCCN1CC[NH2+]CC1 ZINC000019944990 372213661 /nfs/dbraw/zinc/21/36/61/372213661.db2.gz NCPOHSLANZXDNL-UHFFFAOYSA-N 1 0 276.424 2.839 50 0 CFAARO COc1cc(CNCCC[NH+](C)C)ccc1OC(C)C ZINC000020091789 372228588 /nfs/dbraw/zinc/22/85/88/372228588.db2.gz LKIBYQKTYHAIFB-UHFFFAOYSA-N 1 0 280.412 2.524 50 0 CFAARO Cc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000019789298 372187911 /nfs/dbraw/zinc/18/79/11/372187911.db2.gz CJIWBYLWODMFHC-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO CN1CC[NH+](C[C@@H](O)c2ccc(C3CCCC3)cc2)CC1 ZINC000019802310 372189667 /nfs/dbraw/zinc/18/96/67/372189667.db2.gz ZHALKFDDTVRRCV-GOSISDBHSA-N 1 0 288.435 2.625 50 0 CFAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccco2)CC1 ZINC000019842534 372197972 /nfs/dbraw/zinc/19/79/72/372197972.db2.gz OBEKVAIXWZADAK-GDBMZVCRSA-N 1 0 262.397 2.976 50 0 CFAARO Cc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)o1 ZINC000025328840 372296916 /nfs/dbraw/zinc/29/69/16/372296916.db2.gz OQKNTONDLLPOFW-GFCCVEGCSA-N 1 0 278.377 2.682 50 0 CFAARO Cc1ccoc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331177 372297253 /nfs/dbraw/zinc/29/72/53/372297253.db2.gz MTGCHVPOEJRLJI-LBPRGKRZSA-N 1 0 278.377 2.682 50 0 CFAARO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC000025407789 372299181 /nfs/dbraw/zinc/29/91/81/372299181.db2.gz DMPZGEFLMQQTBP-AWEZNQCLSA-N 1 0 290.407 2.576 50 0 CFAARO CN(CC[NH3+])CC1c2ccccc2CCc2ccccc21 ZINC000022865421 372245747 /nfs/dbraw/zinc/24/57/47/372245747.db2.gz KCKNIWWYDMYGFH-UHFFFAOYSA-N 1 0 280.415 2.808 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000022935939 372248774 /nfs/dbraw/zinc/24/87/74/372248774.db2.gz LHLIZBJUZOKQEE-CQSZACIVSA-N 1 0 252.789 2.914 50 0 CFAARO OCC[C@H]1CN(Cc2ccsc2)CC[N@@H+]1C1CCCC1 ZINC000022932641 372248905 /nfs/dbraw/zinc/24/89/05/372248905.db2.gz ZMNBQQQTSQEENK-INIZCTEOSA-N 1 0 294.464 2.559 50 0 CFAARO C[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccccc1 ZINC000023280753 372255823 /nfs/dbraw/zinc/25/58/23/372255823.db2.gz DXICTWGMIKTOGT-INIZCTEOSA-N 1 0 259.324 2.991 50 0 CFAARO COc1ccc2ccccc2c1CN(C)CC[NH+](C)C ZINC000023281976 372256063 /nfs/dbraw/zinc/25/60/63/372256063.db2.gz BXCZFBUEFPBTNM-UHFFFAOYSA-N 1 0 272.392 2.842 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C1CCCC1)c1cccs1 ZINC000023623613 372261981 /nfs/dbraw/zinc/26/19/81/372261981.db2.gz KIHOZWCJFQKNDF-LBPRGKRZSA-N 1 0 266.410 2.657 50 0 CFAARO c1ccc2sc(N3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000024660036 372279094 /nfs/dbraw/zinc/27/90/94/372279094.db2.gz QSJAICIFHCYTTG-NSHDSACASA-N 1 0 259.378 2.581 50 0 CFAARO Cc1cc(C(=O)NCc2ccccc2C[NH+](C)C)c(C)o1 ZINC000024838574 372281597 /nfs/dbraw/zinc/28/15/97/372281597.db2.gz CGTPSZKOOKGNBK-UHFFFAOYSA-N 1 0 286.375 2.888 50 0 CFAARO CC[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC)cc1 ZINC000026926339 372332248 /nfs/dbraw/zinc/33/22/48/372332248.db2.gz QJYXYYYCEIPYKR-UHFFFAOYSA-N 1 0 272.348 2.661 50 0 CFAARO CCc1ccc([C@@H](CNC(=O)c2ccncc2)[NH+](C)C)cc1 ZINC000027596319 372343585 /nfs/dbraw/zinc/34/35/85/372343585.db2.gz JXKXJODKEJZFQN-QGZVFWFLSA-N 1 0 297.402 2.677 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC=CCC1)c1cccs1 ZINC000027675789 372346890 /nfs/dbraw/zinc/34/68/90/372346890.db2.gz CBGHWRNZZMXOAP-CHWSQXEVSA-N 1 0 278.421 2.823 50 0 CFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCC1 ZINC000030555771 372394095 /nfs/dbraw/zinc/39/40/95/372394095.db2.gz RNWFBRPVLSQSQG-UHFFFAOYSA-N 1 0 272.392 2.699 50 0 CFAARO Cc1ccsc1C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000030908726 372401134 /nfs/dbraw/zinc/40/11/34/372401134.db2.gz AAZVITNDYBVRJJ-GFCCVEGCSA-N 1 0 261.394 2.957 50 0 CFAARO CCC(CC)(CNC(=O)Nc1ccccc1)[NH+](C)C ZINC000031094592 372404378 /nfs/dbraw/zinc/40/43/78/372404378.db2.gz ZUKHXXFQAHKPSM-UHFFFAOYSA-N 1 0 263.385 2.929 50 0 CFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000031338072 372408852 /nfs/dbraw/zinc/40/88/52/372408852.db2.gz CZQLFUOLCRWSIA-UHFFFAOYSA-N 1 0 298.361 2.614 50 0 CFAARO O=C(NCCc1[nH+]cc2ccccn21)C1CCCCC1 ZINC000031773073 372417331 /nfs/dbraw/zinc/41/73/31/372417331.db2.gz IAWACXNDASRCGE-UHFFFAOYSA-N 1 0 271.364 2.573 50 0 CFAARO Cc1cc(C(=O)NCC[NH+]2CCCCC2)c2ccccc2n1 ZINC000032961428 372479069 /nfs/dbraw/zinc/47/90/69/372479069.db2.gz NBZLEFLACHHWAD-UHFFFAOYSA-N 1 0 297.402 2.759 50 0 CFAARO CC(C)(C)OC(=O)Nc1ccc(CCC[NH3+])cc1 ZINC000032105420 372426839 /nfs/dbraw/zinc/42/68/39/372426839.db2.gz KLCRVQJTBHIUJK-UHFFFAOYSA-N 1 0 250.342 2.925 50 0 CFAARO CCOCCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000032107273 372427568 /nfs/dbraw/zinc/42/75/68/372427568.db2.gz YUTQZWIFFYQFAG-UHFFFAOYSA-N 1 0 251.370 2.990 50 0 CFAARO CCN(Cc1ccccc1Cl)C[C@@H]1CCC[NH2+]1 ZINC000032553310 372444493 /nfs/dbraw/zinc/44/44/93/372444493.db2.gz AANCKFUNMLPWDP-ZDUSSCGKSA-N 1 0 252.789 2.914 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C(C)C)c(C)c1 ZINC000032561813 372446347 /nfs/dbraw/zinc/44/63/47/372446347.db2.gz MGKSLIGLWWQANP-LSDHHAIUSA-N 1 0 265.397 2.677 50 0 CFAARO C[NH+]1CCC(Oc2ccccc2NC[C@@H]2CCOC2)CC1 ZINC000032597988 372447109 /nfs/dbraw/zinc/44/71/09/372447109.db2.gz XWBXMICAXIHWJP-AWEZNQCLSA-N 1 0 290.407 2.608 50 0 CFAARO COc1cccc(OC[C@@H](O)C[NH2+][C@H](C)CC2(C)CC2)c1 ZINC000032590165 372447467 /nfs/dbraw/zinc/44/74/67/372447467.db2.gz KEDCLDWLRHMASR-KGLIPLIRSA-N 1 0 293.407 2.603 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2cn(C)c3ccccc23)CC1 ZINC000032740476 372457244 /nfs/dbraw/zinc/45/72/44/372457244.db2.gz DVNBWHGDNHWQHQ-UHFFFAOYSA-N 1 0 299.418 2.781 50 0 CFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000032842875 372468260 /nfs/dbraw/zinc/46/82/60/372468260.db2.gz CYTHGNQWMQBSOC-UHFFFAOYSA-N 1 0 284.359 2.674 50 0 CFAARO C[NH2+][C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000033040211 372483919 /nfs/dbraw/zinc/48/39/19/372483919.db2.gz OAQGNOWRFCVXHD-OAHLLOKOSA-N 1 0 270.332 2.594 50 0 CFAARO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1F ZINC000034657351 372512970 /nfs/dbraw/zinc/51/29/70/372512970.db2.gz FENQBVBDVLLBMR-UHFFFAOYSA-N 1 0 278.371 2.740 50 0 CFAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cc(Cl)c[nH]1 ZINC000069052564 284327622 /nfs/dbraw/zinc/32/76/22/284327622.db2.gz NQPQMAQPXWJHFX-UHFFFAOYSA-N 1 0 275.739 2.566 50 0 CFAARO CCC[C@H](O)C[N@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036100182 372558761 /nfs/dbraw/zinc/55/87/61/372558761.db2.gz ZLGSGNPPOGZBGK-INIZCTEOSA-N 1 0 295.423 2.695 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000036820532 372599800 /nfs/dbraw/zinc/59/98/00/372599800.db2.gz CMGIJEVAXIBGMO-CYBMUJFWSA-N 1 0 292.452 2.587 50 0 CFAARO c1snnc1CNc1cccc(C[NH+]2CCCC2)c1 ZINC000036990943 372621865 /nfs/dbraw/zinc/62/18/65/372621865.db2.gz MZRWVFZHBYQDMO-UHFFFAOYSA-N 1 0 274.393 2.746 50 0 CFAARO CC[C@H]([NH2+]Cc1c[nH]nc1C)c1ccccc1OC ZINC000036995205 372625556 /nfs/dbraw/zinc/62/55/56/372625556.db2.gz WFDMXXPFMUSFFK-AWEZNQCLSA-N 1 0 259.353 2.968 50 0 CFAARO Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cs1 ZINC000037142846 372655503 /nfs/dbraw/zinc/65/55/03/372655503.db2.gz ADOFRSWUSZPVCM-SNVBAGLBSA-N 1 0 293.436 2.503 50 0 CFAARO CCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036873840 372604265 /nfs/dbraw/zinc/60/42/65/372604265.db2.gz SLPWRGBXMXVDQN-JTQLQIEISA-N 1 0 259.309 2.605 50 0 CFAARO C[C@H]([NH3+])c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000036872343 372604567 /nfs/dbraw/zinc/60/45/67/372604567.db2.gz BBVLMJNZGIDONQ-ZETCQYMHSA-N 1 0 266.142 2.859 50 0 CFAARO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc2ccccc2o1 ZINC000037783018 372707697 /nfs/dbraw/zinc/70/76/97/372707697.db2.gz IPYZKOKCNWEBAJ-GFCCVEGCSA-N 1 0 272.348 2.533 50 0 CFAARO COc1ccc(-c2noc(C3([NH3+])CCCCC3)n2)cc1 ZINC000041032813 372805172 /nfs/dbraw/zinc/80/51/72/372805172.db2.gz JXVXCZJJQDBOKS-UHFFFAOYSA-N 1 0 273.336 2.863 50 0 CFAARO C[C@H](CC(=O)NCC(C)(C)[NH+](C)C)c1ccc(F)cc1 ZINC000041111697 372815265 /nfs/dbraw/zinc/81/52/65/372815265.db2.gz QONAUZLUMNPGIX-GFCCVEGCSA-N 1 0 280.387 2.776 50 0 CFAARO O=C(c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000041387106 372834488 /nfs/dbraw/zinc/83/44/88/372834488.db2.gz DRMOKCOVCMFDJW-UHFFFAOYSA-N 1 0 268.154 2.631 50 0 CFAARO c1[nH]nc(-c2ccccc2)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000041638796 372855407 /nfs/dbraw/zinc/85/54/07/372855407.db2.gz GJCWAPLNGIXBIG-HNNXBMFYSA-N 1 0 271.364 2.735 50 0 CFAARO CCCC[N@H+](CC)C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000042289301 372900708 /nfs/dbraw/zinc/90/07/08/372900708.db2.gz KYNXUQSUVYANNZ-AWEZNQCLSA-N 1 0 279.380 2.613 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000042504381 372928845 /nfs/dbraw/zinc/92/88/45/372928845.db2.gz JXSJRGLFOHOJTR-UHFFFAOYSA-N 1 0 297.786 2.579 50 0 CFAARO C[C@@H](CNC(=O)c1ccc(F)cc1Cl)[NH+]1CCCC1 ZINC000042504657 372929620 /nfs/dbraw/zinc/92/96/20/372929620.db2.gz JWTXSGVZYOHXQJ-JTQLQIEISA-N 1 0 284.762 2.693 50 0 CFAARO CCOC(=O)c1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042771200 372953931 /nfs/dbraw/zinc/95/39/31/372953931.db2.gz PKSCJMJCQRURNE-ZDUSSCGKSA-N 1 0 277.364 2.774 50 0 CFAARO C[NH+](C)C1(CNC(=O)CCc2ccccc2)CCCC1 ZINC000042762938 372951726 /nfs/dbraw/zinc/95/17/26/372951726.db2.gz IBOPCJNMBSLQRC-UHFFFAOYSA-N 1 0 274.408 2.610 50 0 CFAARO Brc1cccc(CO[C@@H]2CCC[NH2+]C2)c1 ZINC000042782958 372956039 /nfs/dbraw/zinc/95/60/39/372956039.db2.gz YAAPIEFXFHVHJX-GFCCVEGCSA-N 1 0 270.170 2.718 50 0 CFAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(F)ccc1C ZINC000043277203 372987765 /nfs/dbraw/zinc/98/77/65/372987765.db2.gz WJCNOGYDPKPZHS-LBPRGKRZSA-N 1 0 281.375 2.986 50 0 CFAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000046877985 373065396 /nfs/dbraw/zinc/06/53/96/373065396.db2.gz FAFRATKLBMKXHJ-NSHDSACASA-N 1 0 298.789 2.941 50 0 CFAARO CCCCCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000047577940 373104018 /nfs/dbraw/zinc/10/40/18/373104018.db2.gz WZFKBAYWUDUWRS-OAHLLOKOSA-N 1 0 295.402 2.918 50 0 CFAARO COC(=O)[C@H]1CC[NH2+][C@@H]1c1c(Cl)cccc1Cl ZINC000057330622 284376576 /nfs/dbraw/zinc/37/65/76/284376576.db2.gz OJCNQXAYXHHTBC-CPCISQLKSA-N 1 0 274.147 2.817 50 0 CFAARO COC(=O)[C@H]1CC[NH2+][C@@H]1c1ccc(Cl)cc1Cl ZINC000004237836 284376704 /nfs/dbraw/zinc/37/67/04/284376704.db2.gz RFRBPJHBTIEEOF-GXSJLCMTSA-N 1 0 274.147 2.817 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC000048354048 373168367 /nfs/dbraw/zinc/16/83/67/373168367.db2.gz RECPFWMOMRCLQH-NSHDSACASA-N 1 0 284.762 2.693 50 0 CFAARO Cc1cc(C(=O)NCC2([NH+](C)C)CCCC2)c(C)o1 ZINC000048694003 373214846 /nfs/dbraw/zinc/21/48/46/373214846.db2.gz BELRHKPOEHCLNL-UHFFFAOYSA-N 1 0 264.369 2.501 50 0 CFAARO FC(F)(F)Oc1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000048449399 373185284 /nfs/dbraw/zinc/18/52/84/373185284.db2.gz POFPHTKILVBXIP-UHFFFAOYSA-N 1 0 285.269 2.572 50 0 CFAARO Cc1[nH]nc2nc3ccccc3c(NCCC[NH+](C)C)c12 ZINC000048523386 373196460 /nfs/dbraw/zinc/19/64/60/373196460.db2.gz QIMFJHWPPBBJQS-UHFFFAOYSA-N 1 0 283.379 2.783 50 0 CFAARO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)ccc1OC(C)C ZINC000051993774 373424364 /nfs/dbraw/zinc/42/43/64/373424364.db2.gz RHEBSILYJKPIPF-CABCVRRESA-N 1 0 293.407 2.876 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)on1 ZINC000052010016 373429438 /nfs/dbraw/zinc/42/94/38/373429438.db2.gz UJPYNEKCQBOWSF-GJZGRUSLSA-N 1 0 272.348 2.854 50 0 CFAARO CCNC(=O)C[NH+]1CCC(c2c(C)[nH]c3ccccc32)CC1 ZINC000052458253 373445931 /nfs/dbraw/zinc/44/59/31/373445931.db2.gz QXTVJGYWLGWUTI-UHFFFAOYSA-N 1 0 299.418 2.792 50 0 CFAARO c1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000053294401 373474275 /nfs/dbraw/zinc/47/42/75/373474275.db2.gz UVMOXXAVDKCMPN-UHFFFAOYSA-N 1 0 282.387 2.888 50 0 CFAARO C[C@@H](C[NH2+]CCOc1ccccn1)c1ccccc1 ZINC000057353345 373589432 /nfs/dbraw/zinc/58/94/32/373589432.db2.gz USCPDXNQJBJDJU-AWEZNQCLSA-N 1 0 256.349 2.854 50 0 CFAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NC1CC1 ZINC000057371054 373592176 /nfs/dbraw/zinc/59/21/76/373592176.db2.gz KITGJRUVQBBDKX-UHFFFAOYSA-N 1 0 280.371 2.644 50 0 CFAARO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(CO)o1 ZINC000055413641 373551891 /nfs/dbraw/zinc/55/18/91/373551891.db2.gz DZRSCJSDLFICRG-ZDUSSCGKSA-N 1 0 295.404 2.607 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000058015328 373623003 /nfs/dbraw/zinc/62/30/03/373623003.db2.gz RGQRAWRYHIBTIL-ZNMIVQPWSA-N 1 0 266.429 2.755 50 0 CFAARO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000058156527 373627579 /nfs/dbraw/zinc/62/75/79/373627579.db2.gz VXOTWVVSNXFWNF-QGZVFWFLSA-N 1 0 288.435 2.856 50 0 CFAARO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1 ZINC000058145784 373627715 /nfs/dbraw/zinc/62/77/15/373627715.db2.gz HXIGGNJUMXRBMW-OAHLLOKOSA-N 1 0 282.387 2.696 50 0 CFAARO O=C(C[NH2+][C@H]1CCCc2ccccc21)NCc1ccco1 ZINC000058160853 373629649 /nfs/dbraw/zinc/62/96/49/373629649.db2.gz XEDCAUCSKPWAKO-INIZCTEOSA-N 1 0 284.359 2.563 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2F)C1 ZINC000058265227 373639272 /nfs/dbraw/zinc/63/92/72/373639272.db2.gz FIXKEFIRKUJKML-GFCCVEGCSA-N 1 0 296.361 2.815 50 0 CFAARO Cn1nccc1C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000058328771 373647104 /nfs/dbraw/zinc/64/71/04/373647104.db2.gz BRFMYRAZQJBYBX-UHFFFAOYSA-N 1 0 296.374 2.941 50 0 CFAARO [NH3+]Cc1cccc(NC(=O)c2cccc3cccnc32)c1 ZINC000061410250 373717755 /nfs/dbraw/zinc/71/77/55/373717755.db2.gz WTEZUJIHYOWWNU-UHFFFAOYSA-N 1 0 277.327 2.946 50 0 CFAARO CCc1ccc(O)c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000060322022 373690028 /nfs/dbraw/zinc/69/00/28/373690028.db2.gz RZXHLJSLZKZFNH-UHFFFAOYSA-N 1 0 290.407 2.560 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cnc2ccccc21 ZINC000060343612 373691360 /nfs/dbraw/zinc/69/13/60/373691360.db2.gz LPZXSCSDEGYQHR-INIZCTEOSA-N 1 0 295.386 2.529 50 0 CFAARO CCc1nc(C)c(CN(CC)CC[NH+]2CCCCCC2)[nH]1 ZINC000063869335 373816852 /nfs/dbraw/zinc/81/68/52/373816852.db2.gz NKRUMUFZXMZWOK-UHFFFAOYSA-N 1 0 292.471 2.978 50 0 CFAARO OCC[N@@H+](Cc1csc(Br)c1)CC1CC1 ZINC000064516083 373823444 /nfs/dbraw/zinc/82/34/44/373823444.db2.gz QFGJWNNNNJXSHL-UHFFFAOYSA-N 1 0 290.226 2.715 50 0 CFAARO c1cc(CCN2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000065522821 373881878 /nfs/dbraw/zinc/88/18/78/373881878.db2.gz ZTDIPBWSUMRWHA-UHFFFAOYSA-N 1 0 273.424 2.574 50 0 CFAARO COC(=O)c1oc(C[N@H+](C)[C@H](C)C2CC2)cc1C ZINC000065542152 373884013 /nfs/dbraw/zinc/88/40/13/373884013.db2.gz JLSHPDJPJYVXGU-SNVBAGLBSA-N 1 0 251.326 2.605 50 0 CFAARO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(OC)c1 ZINC000065621639 373895894 /nfs/dbraw/zinc/89/58/94/373895894.db2.gz NEAHOXGENLRKGX-LBPRGKRZSA-N 1 0 279.384 2.547 50 0 CFAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@H](C)c1ccc(C)s1)CN2 ZINC000065623791 373896280 /nfs/dbraw/zinc/89/62/80/373896280.db2.gz FCSNDHOAHPTAEO-CHWSQXEVSA-N 1 0 290.436 2.954 50 0 CFAARO Cc1c(C[NH+]2CCCCCC2)nnn1-c1ccccc1 ZINC000065239693 373850967 /nfs/dbraw/zinc/85/09/67/373850967.db2.gz DZTONAIKXNRMEZ-UHFFFAOYSA-N 1 0 270.380 2.952 50 0 CFAARO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000065287733 373853050 /nfs/dbraw/zinc/85/30/50/373853050.db2.gz SKJHQDVSIQBYGM-INIZCTEOSA-N 1 0 284.407 2.986 50 0 CFAARO C[C@H](Cc1ccccn1)[N@H+](C)C1CCSCC1 ZINC000065370586 373859268 /nfs/dbraw/zinc/85/92/68/373859268.db2.gz IDLDVYLXHRCTIN-GFCCVEGCSA-N 1 0 250.411 2.840 50 0 CFAARO CCc1cnc(C)nc1N1CC[N@H+](C(C)C)[C@H](CC)C1 ZINC000065371722 373859675 /nfs/dbraw/zinc/85/96/75/373859675.db2.gz SQEGIXNCGWGFII-OAHLLOKOSA-N 1 0 276.428 2.656 50 0 CFAARO CC(C)=Cc1c(-c2ccccc2)ncn1C[C@@H]1C[NH2+]CCO1 ZINC000065387146 373864564 /nfs/dbraw/zinc/86/45/64/373864564.db2.gz PZIFHBDGWGMLDM-INIZCTEOSA-N 1 0 297.402 2.962 50 0 CFAARO C[C@@H]([NH2+]CCC1=CCCCC1)C(=O)Nc1nccs1 ZINC000065396082 373865918 /nfs/dbraw/zinc/86/59/18/373865918.db2.gz YYYKEMYMWCEBIH-LLVKDONJSA-N 1 0 279.409 2.950 50 0 CFAARO Cc1nc[nH]c1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000065421403 373869279 /nfs/dbraw/zinc/86/92/79/373869279.db2.gz UNUYABFLWWLDCQ-UHFFFAOYSA-N 1 0 259.353 2.537 50 0 CFAARO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc2sccc2c1 ZINC000065433850 373871436 /nfs/dbraw/zinc/87/14/36/373871436.db2.gz BIQWIOXDMGXPHX-NSHDSACASA-N 1 0 272.377 2.671 50 0 CFAARO COc1ccc(OC)c([C@H]2CC[N@@H+](C3CCOCC3)C2)c1 ZINC000065457488 373873281 /nfs/dbraw/zinc/87/32/81/373873281.db2.gz NIPCJJQCNQRGOI-ZDUSSCGKSA-N 1 0 291.391 2.672 50 0 CFAARO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065474561 373877362 /nfs/dbraw/zinc/87/73/62/373877362.db2.gz DOTFKDGMWLAAAI-AWEZNQCLSA-N 1 0 278.371 2.564 50 0 CFAARO C[C@@H]([NH2+]C1CSCCSC1)c1cn2ccsc2n1 ZINC000067724735 373997120 /nfs/dbraw/zinc/99/71/20/373997120.db2.gz KORHWDHCYFZZLL-SECBINFHSA-N 1 0 299.490 2.895 50 0 CFAARO C[C@@H](c1ccc(-c2cnc(N)cn2)cc1)[NH+]1CCCC1 ZINC000067756111 373998650 /nfs/dbraw/zinc/99/86/50/373998650.db2.gz HUAMFZLVKLBKDD-LBPRGKRZSA-N 1 0 268.364 2.883 50 0 CFAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000067921007 374015279 /nfs/dbraw/zinc/01/52/79/374015279.db2.gz AZPPVBGUMYQEET-HNNXBMFYSA-N 1 0 292.398 2.791 50 0 CFAARO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc[nH]1 ZINC000067361000 373976592 /nfs/dbraw/zinc/97/65/92/373976592.db2.gz UCVBDSCMNMFVEU-INIZCTEOSA-N 1 0 297.402 2.799 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)s1 ZINC000069598555 374078232 /nfs/dbraw/zinc/07/82/32/374078232.db2.gz VGTJFXIKZYBXKU-NXEZZACHSA-N 1 0 284.812 2.758 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000069597180 374078976 /nfs/dbraw/zinc/07/89/76/374078976.db2.gz MHFLVTBMBZGDNI-SJORKVTESA-N 1 0 290.451 2.898 50 0 CFAARO C[N@H+](CCOc1ccccc1F)Cc1ccccn1 ZINC000069387775 374057729 /nfs/dbraw/zinc/05/77/29/374057729.db2.gz LWOYEYPQZUZWCU-UHFFFAOYSA-N 1 0 260.312 2.732 50 0 CFAARO CC[NH+](CC)C1CCN(Cc2c(C)noc2C)CC1 ZINC000069452224 374063671 /nfs/dbraw/zinc/06/36/71/374063671.db2.gz XLNGUSGBILWVLK-UHFFFAOYSA-N 1 0 265.401 2.598 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1cc(F)cc(N2CCCC2)c1 ZINC000069453073 374064195 /nfs/dbraw/zinc/06/41/95/374064195.db2.gz MGYMVVJXSSUUOK-UHFFFAOYSA-N 1 0 293.386 2.706 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)o1 ZINC000069455521 374066184 /nfs/dbraw/zinc/06/61/84/374066184.db2.gz RCZGJLQXXAMNCH-KGLIPLIRSA-N 1 0 276.380 2.541 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000069489678 374067852 /nfs/dbraw/zinc/06/78/52/374067852.db2.gz KPZKKQMSCCAWDR-IRXDYDNUSA-N 1 0 297.402 2.867 50 0 CFAARO CSCc1ccc(C[NH2+][C@H](C)Cn2cc(C)cn2)o1 ZINC000069531175 374072024 /nfs/dbraw/zinc/07/20/24/374072024.db2.gz MGUWOOHFZUVUPV-GFCCVEGCSA-N 1 0 279.409 2.826 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]C/C=C/c2ccccc2)c1 ZINC000069521037 374072215 /nfs/dbraw/zinc/07/22/15/374072215.db2.gz OOAQVSQVWCCICJ-RZIFZGNASA-N 1 0 255.365 2.883 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000069528641 374073048 /nfs/dbraw/zinc/07/30/48/374073048.db2.gz HXCSZFBHJUHVJO-CABCVRRESA-N 1 0 294.345 2.664 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccccc1F ZINC000069571442 374077016 /nfs/dbraw/zinc/07/70/16/374077016.db2.gz SNGIBDXFNZKJDM-GJZGRUSLSA-N 1 0 276.355 2.525 50 0 CFAARO CC(C)([NH2+]CCCn1cncn1)c1ccc(Cl)cc1 ZINC000069980873 374114273 /nfs/dbraw/zinc/11/42/73/374114273.db2.gz KZILNYXNCJNUIX-UHFFFAOYSA-N 1 0 278.787 2.847 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2c(C)noc2C)n1 ZINC000070010493 374114436 /nfs/dbraw/zinc/11/44/36/374114436.db2.gz ONTWWRCSPARXBN-OAHLLOKOSA-N 1 0 288.395 2.769 50 0 CFAARO C(=C/c1ccccc1)\C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000069741011 374091014 /nfs/dbraw/zinc/09/10/14/374091014.db2.gz WHMMCVBNEORLJZ-RCMYXZNBSA-N 1 0 282.391 2.846 50 0 CFAARO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069738321 374091641 /nfs/dbraw/zinc/09/16/41/374091641.db2.gz BTRGSDZEZVINML-ZBFHGGJFSA-N 1 0 274.408 2.733 50 0 CFAARO COc1cccc(C[NH2+]C2CCSCC2)c1OC ZINC000069756095 374096112 /nfs/dbraw/zinc/09/61/12/374096112.db2.gz MLHXOHNDKLIWSU-UHFFFAOYSA-N 1 0 267.394 2.689 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)ccc1F ZINC000069810853 374100661 /nfs/dbraw/zinc/10/06/61/374100661.db2.gz XHIOEHOJOFSENV-JKSUJKDBSA-N 1 0 290.382 2.833 50 0 CFAARO c1ccc(CCC[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000069875081 374104937 /nfs/dbraw/zinc/10/49/37/374104937.db2.gz AZKVVARENFDHEP-KRWDZBQOSA-N 1 0 296.418 2.668 50 0 CFAARO CC[C@H]1C[N@H+](CCCc2ccccc2)CCN1CCOC ZINC000069844781 374105281 /nfs/dbraw/zinc/10/52/81/374105281.db2.gz NGAMXVKBFHKAJE-SFHVURJKSA-N 1 0 290.451 2.662 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1C ZINC000070173338 374139072 /nfs/dbraw/zinc/13/90/72/374139072.db2.gz PSKRVMRKJQQWGT-KGLIPLIRSA-N 1 0 260.381 2.503 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)cc1OC ZINC000070326417 374166838 /nfs/dbraw/zinc/16/68/38/374166838.db2.gz TZYJQZPMUZZHBD-KBPBESRZSA-N 1 0 279.380 2.751 50 0 CFAARO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000070603200 374198606 /nfs/dbraw/zinc/19/86/06/374198606.db2.gz VKBGYXVUWLHMFN-GOEBONIOSA-N 1 0 274.408 2.779 50 0 CFAARO C[NH+](C)CCNc1nc2ccc(Cl)cc2s1 ZINC000070631726 374199468 /nfs/dbraw/zinc/19/94/68/374199468.db2.gz FCKIXSHRWVIJJU-UHFFFAOYSA-N 1 0 255.774 2.923 50 0 CFAARO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000070603198 374199648 /nfs/dbraw/zinc/19/96/48/374199648.db2.gz VKBGYXVUWLHMFN-GDBMZVCRSA-N 1 0 274.408 2.779 50 0 CFAARO Cc1ccc([C@@H](NC(=O)C2([NH3+])CC2)c2ccccc2)cc1 ZINC000071753717 374221970 /nfs/dbraw/zinc/22/19/70/374221970.db2.gz DPAKLVVINCWSLE-INIZCTEOSA-N 1 0 280.371 2.692 50 0 CFAARO CC(C)c1nccc(C[N@@H+]2CCC[C@@H](Cn3ccnc3)C2)n1 ZINC000071768047 374222300 /nfs/dbraw/zinc/22/23/00/374222300.db2.gz YJSFGBBZBDKMSK-OAHLLOKOSA-N 1 0 299.422 2.709 50 0 CFAARO CN(C[C@@H]1CCC[N@@H+]1C)c1nccc(C2CCCC2)n1 ZINC000071776487 374223077 /nfs/dbraw/zinc/22/30/77/374223077.db2.gz AHGVSCDZNROZPA-AWEZNQCLSA-N 1 0 274.412 2.665 50 0 CFAARO Cc1cc(C2CCC2)nc(NCC[C@@H]2CCC[N@H+]2C)n1 ZINC000071777332 374223470 /nfs/dbraw/zinc/22/34/70/374223470.db2.gz MDANFAOZSLZRKZ-AWEZNQCLSA-N 1 0 274.412 2.949 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000071925557 374232844 /nfs/dbraw/zinc/23/28/44/374232844.db2.gz CQVNVUXMHXVREF-HUUCEWRRSA-N 1 0 295.471 2.794 50 0 CFAARO Cc1ccc(N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)nn1 ZINC000072429908 374251618 /nfs/dbraw/zinc/25/16/18/374251618.db2.gz QFOVRFJAXWGLED-QGZVFWFLSA-N 1 0 296.418 2.904 50 0 CFAARO COC[C@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072421961 374252208 /nfs/dbraw/zinc/25/22/08/374252208.db2.gz PTPVRRHTRRVSKZ-KRWDZBQOSA-N 1 0 291.435 2.858 50 0 CFAARO Cc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)s1 ZINC000072479148 374255158 /nfs/dbraw/zinc/25/51/58/374255158.db2.gz KGUGNEBXFZMILH-UHFFFAOYSA-N 1 0 278.421 2.501 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000072269804 374238747 /nfs/dbraw/zinc/23/87/47/374238747.db2.gz NCNIBYBIVMMVSL-NWDGAFQWSA-N 1 0 289.408 2.640 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)o1 ZINC000072300519 374244383 /nfs/dbraw/zinc/24/43/83/374244383.db2.gz GLXCJJLWZCLTEC-WFASDCNBSA-N 1 0 278.396 2.571 50 0 CFAARO Cc1cccc(C2([NH2+]CCCS(C)(=O)=O)CCCC2)c1 ZINC000072962957 374307931 /nfs/dbraw/zinc/30/79/31/374307931.db2.gz NAQVBRLSQKWDQL-UHFFFAOYSA-N 1 0 295.448 2.789 50 0 CFAARO Cc1csc([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)n1 ZINC000073313030 374335643 /nfs/dbraw/zinc/33/56/43/374335643.db2.gz YTORVWQMAONPMA-CYBMUJFWSA-N 1 0 295.452 2.895 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000072989763 374314645 /nfs/dbraw/zinc/31/46/45/374314645.db2.gz GMZQYMGYYBVROS-CYBMUJFWSA-N 1 0 264.369 2.814 50 0 CFAARO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)c1nccs1 ZINC000073451112 374344224 /nfs/dbraw/zinc/34/42/24/374344224.db2.gz PYWMFAGBWATDDT-GFCCVEGCSA-N 1 0 281.425 2.586 50 0 CFAARO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCc3ccccc31)CC2 ZINC000075131383 374459996 /nfs/dbraw/zinc/45/99/96/374459996.db2.gz HGKBPMQDPWFTKB-GOEBONIOSA-N 1 0 296.418 2.823 50 0 CFAARO CC(C)[N@H+](Cc1cc(=O)n2ccsc2n1)C1CCC1 ZINC000075145348 374460962 /nfs/dbraw/zinc/46/09/62/374460962.db2.gz IKYIDGBJCFRJDC-UHFFFAOYSA-N 1 0 277.393 2.519 50 0 CFAARO C[C@H]([NH2+]Cc1cnc2ccccn12)c1ccccn1 ZINC000075572689 374494027 /nfs/dbraw/zinc/49/40/27/374494027.db2.gz IBAOPIIMAWHYRW-LBPRGKRZSA-N 1 0 252.321 2.580 50 0 CFAARO O=C(C[N@@H+]1CCCCC[C@@H]1c1ccco1)N1CCCC1 ZINC000077177115 374559982 /nfs/dbraw/zinc/55/99/82/374559982.db2.gz LDXWPWDJVAFZEH-CQSZACIVSA-N 1 0 276.380 2.819 50 0 CFAARO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947868 374576552 /nfs/dbraw/zinc/57/65/52/374576552.db2.gz HKULEZPUFWSDOV-UONOGXRCSA-N 1 0 265.426 2.891 50 0 CFAARO C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1Cl ZINC000079058571 374589693 /nfs/dbraw/zinc/58/96/93/374589693.db2.gz WGBGDNHLAHPPKB-LLVKDONJSA-N 1 0 267.756 2.725 50 0 CFAARO C[NH+](C)[C@@H](CNc1nc(C(F)(F)F)cs1)C1CC1 ZINC000083847794 374756945 /nfs/dbraw/zinc/75/69/45/374756945.db2.gz YEGQQSBNMHKRER-QMMMGPOBSA-N 1 0 279.331 2.914 50 0 CFAARO Clc1cnc(NCC[NH2+]C2CCOCC2)c(Cl)c1 ZINC000084047031 374761151 /nfs/dbraw/zinc/76/11/51/374761151.db2.gz YUSUDQPOLXNIPC-UHFFFAOYSA-N 1 0 290.194 2.569 50 0 CFAARO [NH3+][C@@H]1CCCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000082106880 374726100 /nfs/dbraw/zinc/72/61/00/374726100.db2.gz RAVIDAYMPBUBOB-LLVKDONJSA-N 1 0 256.752 2.792 50 0 CFAARO C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)CN1Cc1ccccc1 ZINC000084686464 374786848 /nfs/dbraw/zinc/78/68/48/374786848.db2.gz ZYVVPHVLBUQSDH-VNCIIQTRSA-N 1 0 288.435 2.543 50 0 CFAARO CCc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000089289538 374894089 /nfs/dbraw/zinc/89/40/89/374894089.db2.gz VDLSARRYPRKELP-CQSZACIVSA-N 1 0 292.448 2.933 50 0 CFAARO COc1ccc(CC[NH2+][C@@H](C)c2c[nH]nc2C)cc1OC ZINC000089544458 374921905 /nfs/dbraw/zinc/92/19/05/374921905.db2.gz UAPQDQFDCPCTOJ-NSHDSACASA-N 1 0 289.379 2.629 50 0 CFAARO Cc1cc(C)cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000089585151 374925153 /nfs/dbraw/zinc/92/51/53/374925153.db2.gz FHVLQKQBMXRBOH-HOTGVXAUSA-N 1 0 274.408 2.906 50 0 CFAARO C[C@H](CO)[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000089697578 374938970 /nfs/dbraw/zinc/93/89/70/374938970.db2.gz XQTOXBOAMWVUJO-RDDDGLTNSA-N 1 0 288.160 2.546 50 0 CFAARO c1cn([C@H]2CCC[C@H]2[NH2+]Cc2ccc3c(c2)OCCO3)cn1 ZINC000089807030 374956435 /nfs/dbraw/zinc/95/64/35/374956435.db2.gz QNIUSDPZSBCFIH-CABCVRRESA-N 1 0 299.374 2.538 50 0 CFAARO O=C(N1CC[C@@H]([NH+]2CCCC2)C1)C1(c2ccccc2)CCC1 ZINC000089827718 374958264 /nfs/dbraw/zinc/95/82/64/374958264.db2.gz RYTVQFOLYOUGML-QGZVFWFLSA-N 1 0 298.430 2.805 50 0 CFAARO C[C@@H](O)CC[NH2+][C@@H]1CCCSc2ccccc21 ZINC000089895546 374967173 /nfs/dbraw/zinc/96/71/73/374967173.db2.gz QNSWUJNGKGCFRV-DGCLKSJQSA-N 1 0 251.395 2.974 50 0 CFAARO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000089942804 374974429 /nfs/dbraw/zinc/97/44/29/374974429.db2.gz ODHMIEBZJPOPHE-GOEBONIOSA-N 1 0 287.407 2.768 50 0 CFAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000089948947 374974723 /nfs/dbraw/zinc/97/47/23/374974723.db2.gz PKFNFGBCXMGKIT-GDBMZVCRSA-N 1 0 292.423 2.961 50 0 CFAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cscn1 ZINC000089949179 374975902 /nfs/dbraw/zinc/97/59/02/374975902.db2.gz XFCOWRICAXPIIR-OCCSQVGLSA-N 1 0 295.452 2.516 50 0 CFAARO CC[N@@H+]1CCCN(Cc2ccc3ccccc3n2)CC1 ZINC000089977265 374980138 /nfs/dbraw/zinc/98/01/38/374980138.db2.gz SFFJUSUJPIVFKS-UHFFFAOYSA-N 1 0 269.392 2.762 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+]C1CCC(O)CC1)CCC2 ZINC000090800758 375029665 /nfs/dbraw/zinc/02/96/65/375029665.db2.gz YXIKDYGEHHLHEH-HTAVTVPLSA-N 1 0 280.437 2.976 50 0 CFAARO CC1(C)C[C@@H]([NH2+][C@H]2CCN(c3ccccn3)C2)C(C)(C)O1 ZINC000090801741 375030205 /nfs/dbraw/zinc/03/02/05/375030205.db2.gz PJGYASRRFIRTFZ-UONOGXRCSA-N 1 0 289.423 2.596 50 0 CFAARO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccccn1)C2 ZINC000090964696 375036891 /nfs/dbraw/zinc/03/68/91/375036891.db2.gz OEDCDHIJQSYBDY-GXTWGEPZSA-N 1 0 284.359 2.745 50 0 CFAARO Cc1ccc(C)c([C@@H](O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000089937499 374971987 /nfs/dbraw/zinc/97/19/87/374971987.db2.gz KUQNDSSCFWRYIV-HIFRSBDPSA-N 1 0 265.422 2.774 50 0 CFAARO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c[nH]1 ZINC000093316003 375209275 /nfs/dbraw/zinc/20/92/75/375209275.db2.gz KPNJTXLKOCUDMF-LLVKDONJSA-N 1 0 288.347 2.700 50 0 CFAARO Cn1c2ccccc2nc1C[N@H+](C)C1CCSCC1 ZINC000093363930 375222900 /nfs/dbraw/zinc/22/29/00/375222900.db2.gz RYKPYTYULLBMIW-UHFFFAOYSA-N 1 0 275.421 2.901 50 0 CFAARO C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CCOC1 ZINC000093839672 375318380 /nfs/dbraw/zinc/31/83/80/375318380.db2.gz CYNRNBRQBRZBSI-NSHDSACASA-N 1 0 289.297 2.895 50 0 CFAARO Cc1cccc(CN(C(=O)CC2([NH3+])CCC2)C2CC2)c1 ZINC000094294505 375349318 /nfs/dbraw/zinc/34/93/18/375349318.db2.gz PUBHDPXZZBJGLO-UHFFFAOYSA-N 1 0 272.392 2.758 50 0 CFAARO [NH3+][C@@H](C(=O)N1CCSc2ccccc2C1)c1ccccc1 ZINC000095466865 375458528 /nfs/dbraw/zinc/45/85/28/375458528.db2.gz OBXWLUSXFPNBSZ-MRXNPFEDSA-N 1 0 298.411 2.821 50 0 CFAARO COc1cccc2c1OC[C@H](Cc1c[nH+]c(N)c(C)c1)C2 ZINC000095502279 375461737 /nfs/dbraw/zinc/46/17/37/375461737.db2.gz BWHYSUWYBWGASB-CYBMUJFWSA-N 1 0 284.359 2.775 50 0 CFAARO c1ccc(-c2nnc(SC[C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000095908619 375462961 /nfs/dbraw/zinc/46/29/61/375462961.db2.gz MTORSMMEBFVSEZ-LLVKDONJSA-N 1 0 275.377 2.828 50 0 CFAARO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000095988223 375464517 /nfs/dbraw/zinc/46/45/17/375464517.db2.gz YCTWZOQCTDRTSM-SMDDNHRTSA-N 1 0 266.360 2.668 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000095988284 375465404 /nfs/dbraw/zinc/46/54/04/375465404.db2.gz UMXCCXSXAGKWHK-ZBFHGGJFSA-N 1 0 279.428 2.592 50 0 CFAARO CCCCNC(=O)c1cccc(-c2cc(N)cc[nH+]2)c1 ZINC000096137467 375468264 /nfs/dbraw/zinc/46/82/64/375468264.db2.gz LTIKWLNGZAFMHB-UHFFFAOYSA-N 1 0 269.348 2.861 50 0 CFAARO C[N@H+](Cc1ccsc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000095193338 375415459 /nfs/dbraw/zinc/41/54/59/375415459.db2.gz OQRQYLBNHYLUTI-UHFFFAOYSA-N 1 0 285.376 2.560 50 0 CFAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)o2)n[nH]1 ZINC000095358396 375419294 /nfs/dbraw/zinc/41/92/94/375419294.db2.gz KMNZWPOGQDHRSF-MRXNPFEDSA-N 1 0 287.363 2.672 50 0 CFAARO Cc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC000095364039 375421308 /nfs/dbraw/zinc/42/13/08/375421308.db2.gz JABMIFRLQFKSPF-OAHLLOKOSA-N 1 0 289.423 2.833 50 0 CFAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC000095365750 375421715 /nfs/dbraw/zinc/42/17/15/375421715.db2.gz WEVQJBMCKVSMOF-CQSZACIVSA-N 1 0 289.423 2.688 50 0 CFAARO Cc1cncc(-c2ccccc2OCC[NH+](C)C)c1 ZINC000096152358 375470094 /nfs/dbraw/zinc/47/00/94/375470094.db2.gz IFFRMLWXRTZZJH-UHFFFAOYSA-N 1 0 256.349 2.997 50 0 CFAARO CCC[N@@H+]1CC[C@H](Nc2ncnc3nc(C)cc(C)c32)C1 ZINC000095367163 375422000 /nfs/dbraw/zinc/42/20/00/375422000.db2.gz KPWVDMKYJADXBQ-ZDUSSCGKSA-N 1 0 285.395 2.538 50 0 CFAARO Cc1nc2cc(CNc3cc(C(C)C)[nH+]c(N)n3)ccc2[nH]1 ZINC000095362329 375422006 /nfs/dbraw/zinc/42/20/06/375422006.db2.gz ISPICHXUYMJIBU-UHFFFAOYSA-N 1 0 296.378 2.979 50 0 CFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1ncccc1F)C2 ZINC000095373863 375422677 /nfs/dbraw/zinc/42/26/77/375422677.db2.gz UPBAIQKGYHVUPF-CHWSQXEVSA-N 1 0 263.360 2.531 50 0 CFAARO CCCc1nnc(N2C[C@H]3CC[C@H](C[N@H+]3CCC)C2)s1 ZINC000095370655 375423351 /nfs/dbraw/zinc/42/33/51/375423351.db2.gz WSYVGNBUZRKFGU-CHWSQXEVSA-N 1 0 294.468 2.801 50 0 CFAARO Cc1nc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)sc1C ZINC000095384189 375426929 /nfs/dbraw/zinc/42/69/29/375426929.db2.gz AXYHRWYJWTYNOC-CYBMUJFWSA-N 1 0 295.452 2.641 50 0 CFAARO c1nc(C2CC2)cc(N2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)n1 ZINC000095382753 375427574 /nfs/dbraw/zinc/42/75/74/375427574.db2.gz IXUQLNDWHXWMBL-GDBMZVCRSA-N 1 0 298.434 2.665 50 0 CFAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1occc1C ZINC000095402524 375432082 /nfs/dbraw/zinc/43/20/82/375432082.db2.gz KARGBLSOTYVYDV-DZGCQCFKSA-N 1 0 290.407 2.715 50 0 CFAARO OCCC[N@H+](C[C@@H]1CCOC1)[C@@H]1CCCc2ccccc21 ZINC000095408340 375435090 /nfs/dbraw/zinc/43/50/90/375435090.db2.gz DUTBPJDIUZHNRQ-MAUKXSAKSA-N 1 0 289.419 2.785 50 0 CFAARO c1ncn(CC[NH2+]C2(c3ccccc3)CCCCC2)n1 ZINC000095418642 375439048 /nfs/dbraw/zinc/43/90/48/375439048.db2.gz BVXWRDYSUZLVJT-UHFFFAOYSA-N 1 0 270.380 2.727 50 0 CFAARO CC(C)COC[C@H]([NH2+]C1CCOCC1)c1ccco1 ZINC000095421509 375440359 /nfs/dbraw/zinc/44/03/59/375440359.db2.gz MJRDLLRRKAPMQD-AWEZNQCLSA-N 1 0 267.369 2.762 50 0 CFAARO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(-n2ccnc2)cc1 ZINC000095419832 375440424 /nfs/dbraw/zinc/44/04/24/375440424.db2.gz RTGFQMRXFWODJT-OAHLLOKOSA-N 1 0 295.390 2.810 50 0 CFAARO NC(=O)N1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000095421812 375440861 /nfs/dbraw/zinc/44/08/61/375440861.db2.gz PPAXYIHSLAVZLB-INIZCTEOSA-N 1 0 287.407 2.661 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1 ZINC000095420561 375441287 /nfs/dbraw/zinc/44/12/87/375441287.db2.gz OGSFVHJTUPUMBU-MLGOLLRUSA-N 1 0 262.397 2.686 50 0 CFAARO COCc1nc2n(n1)CCC[C@H]2[NH2+]C1CCCCCC1 ZINC000095423821 375442616 /nfs/dbraw/zinc/44/26/16/375442616.db2.gz VCXPWAHJOLAPIQ-CYBMUJFWSA-N 1 0 278.400 2.572 50 0 CFAARO c1ccc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)nc1 ZINC000095425784 375442720 /nfs/dbraw/zinc/44/27/20/375442720.db2.gz KLPPSXGILJDLRS-BBWFWOEESA-N 1 0 250.345 2.757 50 0 CFAARO c1ncn(CC[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000095426354 375444233 /nfs/dbraw/zinc/44/42/33/375444233.db2.gz BKTFDQBXFAUFBV-IAGOWNOFSA-N 1 0 282.391 2.679 50 0 CFAARO Fc1ccc2c(c1)C[N@@H+](CCc1ccncc1)CC2 ZINC000095432349 375447162 /nfs/dbraw/zinc/44/71/62/375447162.db2.gz MMPLNOQVDFNHJH-UHFFFAOYSA-N 1 0 256.324 2.822 50 0 CFAARO Fc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000095436238 375449777 /nfs/dbraw/zinc/44/97/77/375449777.db2.gz PZBLNCGPCYBKMV-YUELXQCFSA-N 1 0 261.340 2.873 50 0 CFAARO CC(C)[NH+](CCS[C@@H]1C[C@H](C)OC1=O)C(C)C ZINC000095446294 375452073 /nfs/dbraw/zinc/45/20/73/375452073.db2.gz RQMFWISIPBDQLD-NWDGAFQWSA-N 1 0 259.415 2.542 50 0 CFAARO Cc1ncccc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000095448858 375453466 /nfs/dbraw/zinc/45/34/66/375453466.db2.gz WGRNRDVPSYSEPT-RISCZKNCSA-N 1 0 260.337 2.585 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CCOCC2)C[C@@H]1C ZINC000097146607 375531914 /nfs/dbraw/zinc/53/19/14/375531914.db2.gz VPWWILHCIIOHIF-QLFBSQMISA-N 1 0 268.445 2.512 50 0 CFAARO Cn1cc(C[NH2+]Cc2cccs2)c(-c2cccnc2)n1 ZINC000097159682 375533305 /nfs/dbraw/zinc/53/33/05/375533305.db2.gz PPMKAKWSIVEWTA-UHFFFAOYSA-N 1 0 284.388 2.833 50 0 CFAARO CC(C)c1ccc(CC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000097162410 375533914 /nfs/dbraw/zinc/53/39/14/375533914.db2.gz BAPDLIWNUOYDPM-INIZCTEOSA-N 1 0 274.408 2.550 50 0 CFAARO C[C@@H]1CN(C2CC(c3cccc(F)c3)C2)C[C@H](C)[NH2+]1 ZINC000097165801 375535724 /nfs/dbraw/zinc/53/57/24/375535724.db2.gz ADVOKXJUMRZTRF-FFMGESDNSA-N 1 0 262.372 2.754 50 0 CFAARO CCOc1ccc(CN2CC[C@@H](C[NH3+])C2)c(OCC)c1C ZINC000097173316 375536298 /nfs/dbraw/zinc/53/62/98/375536298.db2.gz KQUVATHEJXTBAS-AWEZNQCLSA-N 1 0 292.423 2.573 50 0 CFAARO Fc1ccccc1OCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097203276 375538990 /nfs/dbraw/zinc/53/89/90/375538990.db2.gz HBGATNLSJOPEPY-UHFFFAOYSA-N 1 0 289.354 2.807 50 0 CFAARO Cc1c(NC(=O)[C@H](C)[NH+]2CCCCCC2)n[nH]c1C1CC1 ZINC000096436263 375486648 /nfs/dbraw/zinc/48/66/48/375486648.db2.gz AWYWLKUWDAQTPT-LBPRGKRZSA-N 1 0 290.411 2.799 50 0 CFAARO COC(=O)C(C)(C)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000097081552 375508685 /nfs/dbraw/zinc/50/86/85/375508685.db2.gz MOESVYOMYRJVSJ-UHFFFAOYSA-N 1 0 290.338 2.663 50 0 CFAARO CC(C)[C@@H](CO)[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000097082214 375510376 /nfs/dbraw/zinc/51/03/76/375510376.db2.gz JCBNTMPZRARCJZ-GFCCVEGCSA-N 1 0 266.366 2.510 50 0 CFAARO COc1ccc(F)c(C[N@H+](C)CCc2ccncc2)c1 ZINC000097088544 375513865 /nfs/dbraw/zinc/51/38/65/375513865.db2.gz GUKGMQVDZHZPIT-UHFFFAOYSA-N 1 0 274.339 2.904 50 0 CFAARO Cc1cccc(Cl)c1NC(=O)N(C)CC[NH+](C)C ZINC000097095209 375514569 /nfs/dbraw/zinc/51/45/69/375514569.db2.gz UBVUEEMRQJHMTR-UHFFFAOYSA-N 1 0 269.776 2.674 50 0 CFAARO C[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)CS(C)(=O)=O ZINC000097103596 375518065 /nfs/dbraw/zinc/51/80/65/375518065.db2.gz SKJMCQFHCJMJCI-BMFZPTHFSA-N 1 0 295.448 2.593 50 0 CFAARO Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000097106967 375520265 /nfs/dbraw/zinc/52/02/65/375520265.db2.gz OUCURQZROZNGEQ-CYBMUJFWSA-N 1 0 294.395 2.935 50 0 CFAARO CN(C)C(=O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000097110733 375521286 /nfs/dbraw/zinc/52/12/86/375521286.db2.gz JIARDGGCOFZTIQ-CQSZACIVSA-N 1 0 288.416 2.710 50 0 CFAARO Cc1cc(C[N@H+](C)Cc2ccncc2)ccc1-n1cncn1 ZINC000097113744 375524532 /nfs/dbraw/zinc/52/45/32/375524532.db2.gz ZFSZDSUWBDVODY-UHFFFAOYSA-N 1 0 293.374 2.603 50 0 CFAARO Cc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)s1 ZINC000097113602 375524548 /nfs/dbraw/zinc/52/45/48/375524548.db2.gz RQIIQGSIYKECKV-UHFFFAOYSA-N 1 0 287.432 2.769 50 0 CFAARO COc1ccc(OC)c2c1C[N@H+](CCC(C)C)C[C@H]2O ZINC000097133568 375525566 /nfs/dbraw/zinc/52/55/66/375525566.db2.gz GNRWDQGYYWFQMB-CYBMUJFWSA-N 1 0 279.380 2.599 50 0 CFAARO COc1ccc([C@@H](C)C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000097236801 375545142 /nfs/dbraw/zinc/54/51/42/375545142.db2.gz QGNUAWVYVSYIOI-AWEZNQCLSA-N 1 0 291.391 2.638 50 0 CFAARO O[C@H](C[NH2+][C@H](c1cc(F)ccc1F)C1CC1)C(F)(F)F ZINC000097141849 375528590 /nfs/dbraw/zinc/52/85/90/375528590.db2.gz WFOWRQDTKBARIV-NEPJUHHUSA-N 1 0 295.251 2.929 50 0 CFAARO C[C@](O)(C[NH2+]Cc1cncs1)c1ccccc1Cl ZINC000097142204 375528885 /nfs/dbraw/zinc/52/88/85/375528885.db2.gz YPLQNGJWBACSJI-ZDUSSCGKSA-N 1 0 282.796 2.794 50 0 CFAARO COc1ccc([C@H](C)C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000097236802 375545266 /nfs/dbraw/zinc/54/52/66/375545266.db2.gz QGNUAWVYVSYIOI-CQSZACIVSA-N 1 0 291.391 2.638 50 0 CFAARO C[C@@](O)(C[NH2+]Cc1cncs1)c1ccccc1Cl ZINC000097142203 375529130 /nfs/dbraw/zinc/52/91/30/375529130.db2.gz YPLQNGJWBACSJI-CYBMUJFWSA-N 1 0 282.796 2.794 50 0 CFAARO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000097141577 375529195 /nfs/dbraw/zinc/52/91/95/375529195.db2.gz IDVFDBRLLWXNQP-NEPJUHHUSA-N 1 0 277.261 2.886 50 0 CFAARO CCc1nnc2n1C[C@H](C[NH2+]C/C=C\c1ccccc1)CC2 ZINC000097301498 375548471 /nfs/dbraw/zinc/54/84/71/375548471.db2.gz XOBQPLLOSSYMRE-HWYHOQROSA-N 1 0 296.418 2.706 50 0 CFAARO CC[N@H+](Cc1c(F)c(F)ccc1OC)C1CCOCC1 ZINC000097307821 375548526 /nfs/dbraw/zinc/54/85/26/375548526.db2.gz HLHXXOJOCSGRAT-UHFFFAOYSA-N 1 0 285.334 2.974 50 0 CFAARO CSc1ccccc1C[C@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000097370914 375551735 /nfs/dbraw/zinc/55/17/35/375551735.db2.gz XKPZZXVWQSTFRM-SWLSCSKDSA-N 1 0 297.489 2.797 50 0 CFAARO CCc1ncc(CN(C)Cc2cccc(C[NH+](C)C)c2)cn1 ZINC000097360191 375552140 /nfs/dbraw/zinc/55/21/40/375552140.db2.gz XRVUMYXQVFIFRT-UHFFFAOYSA-N 1 0 298.434 2.733 50 0 CFAARO CC(C)=CC[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000097373691 375552799 /nfs/dbraw/zinc/55/27/99/375552799.db2.gz FGNLALSNYRWRID-PBHICJAKSA-N 1 0 251.395 2.662 50 0 CFAARO COC(=O)[C@H](C)Cc1ccc(NC2CC[NH+](C)CC2)cc1 ZINC000097378091 375555685 /nfs/dbraw/zinc/55/56/85/375555685.db2.gz ZJBQFELXRKKWQH-CYBMUJFWSA-N 1 0 290.407 2.544 50 0 CFAARO Cc1ccc(CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)s1 ZINC000097376107 375555794 /nfs/dbraw/zinc/55/57/94/375555794.db2.gz KFSPDXHKTGJNKD-CQSZACIVSA-N 1 0 278.421 2.547 50 0 CFAARO C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@@H]1CCOC1 ZINC000098060160 375595986 /nfs/dbraw/zinc/59/59/86/375595986.db2.gz OELFFJIHRHPSCM-NXEZZACHSA-N 1 0 257.736 2.994 50 0 CFAARO CC(C)CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000097427866 375558108 /nfs/dbraw/zinc/55/81/08/375558108.db2.gz MYWPYUHQCUCSDF-AWEZNQCLSA-N 1 0 271.449 2.698 50 0 CFAARO COCc1cc(C[N@@H+]2CCCCC[C@H]2CO)ccc1OC ZINC000097436982 375559661 /nfs/dbraw/zinc/55/96/61/375559661.db2.gz XNWZFPALVSXPEO-INIZCTEOSA-N 1 0 293.407 2.579 50 0 CFAARO COc1cc(C)c(C[N@@H+]2CCC[C@H]2CCO)cc1C ZINC000097636734 375575641 /nfs/dbraw/zinc/57/56/41/375575641.db2.gz GNSPIJCPPPIBKO-HNNXBMFYSA-N 1 0 263.381 2.659 50 0 CFAARO OC[C@H]1CCCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000097679961 375577470 /nfs/dbraw/zinc/57/74/70/375577470.db2.gz XMYCFVPMJOFPEC-OAHLLOKOSA-N 1 0 270.376 2.972 50 0 CFAARO Cc1cc2cc(C(=O)NCCCCC[NH3+])ccc2o1 ZINC000097713637 375580270 /nfs/dbraw/zinc/58/02/70/375580270.db2.gz HYUATNPIRQPEHF-UHFFFAOYSA-N 1 0 260.337 2.600 50 0 CFAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000097732877 375582014 /nfs/dbraw/zinc/58/20/14/375582014.db2.gz IXQJXQXDUZKXKE-LBPRGKRZSA-N 1 0 287.411 2.560 50 0 CFAARO C[C@@H](c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000120079573 296232180 /nfs/dbraw/zinc/23/21/80/296232180.db2.gz JCLRAUPHBNMYIV-NSHDSACASA-N 1 0 283.213 2.758 50 0 CFAARO COc1ccccc1/C=C/CN1CC[NH+](CC(C)C)CC1 ZINC000102938663 375703543 /nfs/dbraw/zinc/70/35/43/375703543.db2.gz KUTPVRHOYBSJTO-SOFGYWHQSA-N 1 0 288.435 2.982 50 0 CFAARO CCCOCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103091983 375713396 /nfs/dbraw/zinc/71/33/96/375713396.db2.gz OUPIDFHKEVCPKG-INIZCTEOSA-N 1 0 296.455 2.528 50 0 CFAARO CCc1cnc(C)nc1N1CC[N@H+](C(C)C)[C@@H](CC)C1 ZINC000106240647 375795806 /nfs/dbraw/zinc/79/58/06/375795806.db2.gz SQEGIXNCGWGFII-HNNXBMFYSA-N 1 0 276.428 2.656 50 0 CFAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000106865458 375802340 /nfs/dbraw/zinc/80/23/40/375802340.db2.gz BCLLHURIICTNQZ-YOEHRIQHSA-N 1 0 285.391 2.608 50 0 CFAARO CCc1cccc2c(CC[NH2+]Cc3ncc[nH]3)c[nH]c21 ZINC000111397671 375843112 /nfs/dbraw/zinc/84/31/12/375843112.db2.gz LXFYMNOFLXQPQJ-UHFFFAOYSA-N 1 0 268.364 2.786 50 0 CFAARO CC(C)CCOC[n+]1ccn(CCOc2ccccc2)c1 ZINC000261492970 190039015 /nfs/dbraw/zinc/03/90/15/190039015.db2.gz ROIMORZYFLUVCL-UHFFFAOYSA-N 1 0 289.399 2.875 50 0 CFAARO CC(C)OC[n+]1ccn(Cc2ccccc2Cl)c1 ZINC000261492979 190039232 /nfs/dbraw/zinc/03/92/32/190039232.db2.gz SVOFSCFPTYGZLO-UHFFFAOYSA-N 1 0 265.764 2.860 50 0 CFAARO CC[C@H](C)COC[n+]1ccn(Cc2ccccc2)c1 ZINC000261492773 190039419 /nfs/dbraw/zinc/03/94/19/190039419.db2.gz AZXDSTGDBNHDJQ-HNNXBMFYSA-N 1 0 259.373 2.844 50 0 CFAARO CC(C)CCOCn1cc[n+](COCc2ccccc2)c1 ZINC000261492827 190039474 /nfs/dbraw/zinc/03/94/74/190039474.db2.gz HJGWKACANVIIJP-UHFFFAOYSA-N 1 0 289.399 2.970 50 0 CFAARO C[C@H](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[S@](C)=O ZINC000119209992 376373479 /nfs/dbraw/zinc/37/34/79/376373479.db2.gz MGQMONDQBXSRLZ-CJBCHMDQSA-N 1 0 285.375 2.854 50 0 CFAARO Cn1cc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cn1 ZINC000120167822 376558957 /nfs/dbraw/zinc/55/89/57/376558957.db2.gz WKHSVDYIJCJLJO-OAHLLOKOSA-N 1 0 291.782 2.727 50 0 CFAARO O=C(c1cccc(F)c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058324057 296251099 /nfs/dbraw/zinc/25/10/99/296251099.db2.gz GGLLIVNSTXGPEX-OAHLLOKOSA-N 1 0 276.355 2.526 50 0 CFAARO C[C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)CN1C1CC1 ZINC000131609157 377735553 /nfs/dbraw/zinc/73/55/53/377735553.db2.gz JXPMWCUBTGGWIU-CABCVRRESA-N 1 0 280.456 2.941 50 0 CFAARO Fc1ccc(C[C@H]2CC[N@H+](CCn3ccnc3)C2)cc1 ZINC000131402515 377706942 /nfs/dbraw/zinc/70/69/42/377706942.db2.gz QDRXATSKMKYXIS-OAHLLOKOSA-N 1 0 273.355 2.587 50 0 CFAARO Cn1cncc1C[NH2+]C(C)(C)COCc1ccccc1 ZINC000330032554 378520368 /nfs/dbraw/zinc/52/03/68/378520368.db2.gz PEOVAYJUDYFBEF-UHFFFAOYSA-N 1 0 273.380 2.505 50 0 CFAARO C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1F)[S@](C)=O ZINC000160892610 378807490 /nfs/dbraw/zinc/80/74/90/378807490.db2.gz PFLMGLJQYWZNKH-HUTHGQBESA-N 1 0 277.792 2.726 50 0 CFAARO CC[C@@H](O)CC[NH2+]Cc1sccc1Br ZINC000165010464 379030461 /nfs/dbraw/zinc/03/04/61/379030461.db2.gz KXWFVCKEWLLHJS-MRVPVSSYSA-N 1 0 278.215 2.761 50 0 CFAARO Cn1cc(CN2CCC[N@@H+]([C@@H]3CCC(C)(C)C3)CC2)cn1 ZINC000334320533 379088118 /nfs/dbraw/zinc/08/81/18/379088118.db2.gz ZYONHUWJSFYLND-MRXNPFEDSA-N 1 0 290.455 2.507 50 0 CFAARO O=C(Nc1cccc(C[NH2+]Cc2cccnc2)c1)C1CC1 ZINC000048326073 412902955 /nfs/dbraw/zinc/90/29/55/412902955.db2.gz AMFUKRIFXHWSSK-UHFFFAOYSA-N 1 0 281.359 2.720 50 0 CFAARO Cc1cccc(CN2CC[NH+](CC[C@H]3CCCO3)CC2)c1 ZINC000170605154 379126837 /nfs/dbraw/zinc/12/68/37/379126837.db2.gz QLIKJPUMLJICBM-GOSISDBHSA-N 1 0 288.435 2.682 50 0 CFAARO CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000170639689 379133235 /nfs/dbraw/zinc/13/32/35/379133235.db2.gz BLBNAZJJUPUYML-LBPRGKRZSA-N 1 0 268.401 2.728 50 0 CFAARO CC(C)(O)CC[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000170084451 379116094 /nfs/dbraw/zinc/11/60/94/379116094.db2.gz LKOCJDQOUHWNFT-UHFFFAOYSA-N 1 0 280.387 2.677 50 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QDCMTSNREPSPKI-IAGOWNOFSA-N 1 0 284.403 2.686 50 0 CFAARO CCn1cc(CC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cn1 ZINC000348321117 381506593 /nfs/dbraw/zinc/50/65/93/381506593.db2.gz SHIJKSOLBRMXCB-LBPRGKRZSA-N 1 0 291.370 2.944 50 0 CFAARO Cc1cccc(NC(=O)C2CC[NH+](CC(C)C)CC2)n1 ZINC000049478543 412948444 /nfs/dbraw/zinc/94/84/44/412948444.db2.gz MYBYYAPXPXEODC-UHFFFAOYSA-N 1 0 275.396 2.697 50 0 CFAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+]C(C)C)c1 ZINC000000283920 169596893 /nfs/dbraw/zinc/59/68/93/169596893.db2.gz JROAPJGDJGDCME-CQSZACIVSA-N 1 0 265.397 2.856 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000299742286 382042087 /nfs/dbraw/zinc/04/20/87/382042087.db2.gz AYXQTVPRYRVEGB-HJWJTTGWSA-N 1 0 286.419 2.827 50 0 CFAARO CC[C@@H](NC(=O)C[N@H+](C)C1CCCC1)c1ccc(C)cn1 ZINC000299782906 382046341 /nfs/dbraw/zinc/04/63/41/382046341.db2.gz YTCYNGNQBHPKGI-OAHLLOKOSA-N 1 0 289.423 2.832 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCOC1CCCC1 ZINC000352628124 382423880 /nfs/dbraw/zinc/42/38/80/382423880.db2.gz JEVSOFAKCVOXGE-OAHLLOKOSA-N 1 0 296.455 2.716 50 0 CFAARO CC(C)/C=C/CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000039364674 184546628 /nfs/dbraw/zinc/54/66/28/184546628.db2.gz IWYUHDKQUSGBIA-IPLHWJFFSA-N 1 0 294.483 2.900 50 0 CFAARO COc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cn1 ZINC000390835546 382619396 /nfs/dbraw/zinc/61/93/96/382619396.db2.gz QIXBNQIATBIFPB-UHFFFAOYSA-N 1 0 281.359 2.904 50 0 CFAARO Cn1c(C[NH2+][C@@H]2CCCC2(C)C)nnc1C1CCC1 ZINC000191303048 382698069 /nfs/dbraw/zinc/69/80/69/382698069.db2.gz WIKPQBZIFRHTJL-GFCCVEGCSA-N 1 0 262.401 2.751 50 0 CFAARO CC(C)Cc1ccc([C@H](NCc2nnn(C)n2)C2CC2)cc1 ZINC000193478485 382720298 /nfs/dbraw/zinc/72/02/98/382720298.db2.gz HIBJZOHVRZSGOR-KRWDZBQOSA-N 1 0 299.422 2.650 50 0 CFAARO CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NC1CC[NH+](C)CC1 ZINC000195531202 382769169 /nfs/dbraw/zinc/76/91/69/382769169.db2.gz URAQFXRFZPGAHH-KBMXLJTQSA-N 1 0 296.455 2.571 50 0 CFAARO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](CSc3ccccc3)C2)C(=O)O1 ZINC000195531530 382769336 /nfs/dbraw/zinc/76/93/36/382769336.db2.gz OKRJPCYAESQDOJ-UMVBOHGHSA-N 1 0 291.416 2.805 50 0 CFAARO C(=C\c1ccccc1CNC1=[NH+]CCN1)\c1ccccc1 ZINC000208024728 382774263 /nfs/dbraw/zinc/77/42/63/382774263.db2.gz IVGPSYOVMFVZNW-KHPPLWFESA-N 1 0 277.371 2.906 50 0 CFAARO CCc1nccc(C[N@H+](C)CC[C@H](O)c2ccccc2)n1 ZINC000215072863 382777367 /nfs/dbraw/zinc/77/73/67/382777367.db2.gz GMDPVEGQLOMJCI-INIZCTEOSA-N 1 0 285.391 2.595 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CN2CC(Oc3ccccc3F)C2)C1 ZINC000215363877 382778337 /nfs/dbraw/zinc/77/83/37/382778337.db2.gz FLMJWJKXXCIOPE-CQSZACIVSA-N 1 0 292.398 2.621 50 0 CFAARO Clc1cccc2c1CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000215441392 382778900 /nfs/dbraw/zinc/77/89/00/382778900.db2.gz NUYVLMPJSPEGBX-NSHDSACASA-N 1 0 251.757 2.735 50 0 CFAARO COc1c(F)cccc1CN(C)C[C@@H]1CCCC[N@@H+]1C ZINC000215457054 382779260 /nfs/dbraw/zinc/77/92/60/382779260.db2.gz VWENFDZAHXIHJJ-AWEZNQCLSA-N 1 0 280.387 2.750 50 0 CFAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccncc2Cl)C1 ZINC000215574497 382779538 /nfs/dbraw/zinc/77/95/38/382779538.db2.gz KEJZDRHZSCKUCS-INIZCTEOSA-N 1 0 288.778 2.829 50 0 CFAARO COCC1([N@H+](C)Cc2cc(Cl)cc(OC)c2OC)CC1 ZINC000216107732 382781836 /nfs/dbraw/zinc/78/18/36/382781836.db2.gz WMAIMDYNFDKEPT-UHFFFAOYSA-N 1 0 299.798 2.968 50 0 CFAARO CCc1nn(C)c(Cl)c1C[N@H+](C)C1CCSCC1 ZINC000216266829 382782561 /nfs/dbraw/zinc/78/25/61/382782561.db2.gz LXKALSDVFYWHEP-UHFFFAOYSA-N 1 0 287.860 2.963 50 0 CFAARO Cc1ccc(SCCCN(C)C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000216253876 382782713 /nfs/dbraw/zinc/78/27/13/382782713.db2.gz KSRHWUTWKRBBQB-OAHLLOKOSA-N 1 0 292.448 2.688 50 0 CFAARO CS[C@@H](C)CC[N@@H+]1CCCN(Cc2ccccn2)CC1 ZINC000216438898 382783764 /nfs/dbraw/zinc/78/37/64/382783764.db2.gz STIDZYPIJXVWRJ-HNNXBMFYSA-N 1 0 293.480 2.731 50 0 CFAARO C[NH+]1CCC(CNC(=O)c2ccoc2)(c2ccccc2)CC1 ZINC000220174381 382795450 /nfs/dbraw/zinc/79/54/50/382795450.db2.gz WRLJSWNGZOJOKU-UHFFFAOYSA-N 1 0 298.386 2.673 50 0 CFAARO O=C(CC[NH+]1CCCC1)N1CC[C@H]1c1ccc(F)cc1 ZINC000220317606 382796006 /nfs/dbraw/zinc/79/60/06/382796006.db2.gz JDZUFKJVIQWCKP-HNNXBMFYSA-N 1 0 276.355 2.585 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000221718091 382799130 /nfs/dbraw/zinc/79/91/30/382799130.db2.gz UGDJMGGLEZTWIH-YRGRVCCFSA-N 1 0 264.417 2.911 50 0 CFAARO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000221836152 382799947 /nfs/dbraw/zinc/79/99/47/382799947.db2.gz IDVFDBRLLWXNQP-VXGBXAGGSA-N 1 0 277.261 2.886 50 0 CFAARO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229203110 382850533 /nfs/dbraw/zinc/85/05/33/382850533.db2.gz LFDIQXNWYYONHD-HZPDHXFCSA-N 1 0 277.408 2.652 50 0 CFAARO CCS[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC000225386072 382814929 /nfs/dbraw/zinc/81/49/29/382814929.db2.gz CYOQBFYJJCAQPS-AAEUAGOBSA-N 1 0 266.410 2.854 50 0 CFAARO Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C)O)o1 ZINC000225391737 382815126 /nfs/dbraw/zinc/81/51/26/382815126.db2.gz CFMSXYMUNFVNFM-SNVBAGLBSA-N 1 0 263.312 2.865 50 0 CFAARO Fc1ccc(Cn2cc(C[NH2+]C3CC=CC3)cn2)cc1 ZINC000225438616 382816008 /nfs/dbraw/zinc/81/60/08/382816008.db2.gz XAGAEOIMHQFASC-UHFFFAOYSA-N 1 0 271.339 2.879 50 0 CFAARO COC(=O)[C@@H]1CC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000225412768 382816035 /nfs/dbraw/zinc/81/60/35/382816035.db2.gz KZZJTMLMGYGYIT-HZPDHXFCSA-N 1 0 275.392 2.921 50 0 CFAARO COCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000225479044 382816922 /nfs/dbraw/zinc/81/69/22/382816922.db2.gz LSGYGSZUBINOPW-JTQLQIEISA-N 1 0 277.393 2.811 50 0 CFAARO COC[C@H](O)C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000225549101 382817929 /nfs/dbraw/zinc/81/79/29/382817929.db2.gz FVSKOTFASYYJJT-BXKDBHETSA-N 1 0 283.755 2.744 50 0 CFAARO Cc1nccn1C[C@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000225596688 382819057 /nfs/dbraw/zinc/81/90/57/382819057.db2.gz FINUWYXOKNQRQD-OAHLLOKOSA-N 1 0 256.353 2.564 50 0 CFAARO COCCCNC(=O)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000225626484 382819409 /nfs/dbraw/zinc/81/94/09/382819409.db2.gz CWZJRRWJHNCTJE-HNNXBMFYSA-N 1 0 298.471 2.533 50 0 CFAARO C[N@H+](CCCCC1CCOCC1)C[C@@H]1CCCO1 ZINC000225628577 382819415 /nfs/dbraw/zinc/81/94/15/382819415.db2.gz YZKAELJQORIVHH-HNNXBMFYSA-N 1 0 255.402 2.694 50 0 CFAARO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000229385427 382851621 /nfs/dbraw/zinc/85/16/21/382851621.db2.gz VFIWHWWVHRJLBL-KBPBESRZSA-N 1 0 278.421 2.722 50 0 CFAARO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227795785 382840623 /nfs/dbraw/zinc/84/06/23/382840623.db2.gz ZSQZGBYITNVUTG-LZWOXQAQSA-N 1 0 272.392 2.786 50 0 CFAARO CC(C)c1ccc(N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000236663241 382904365 /nfs/dbraw/zinc/90/43/65/382904365.db2.gz XFJPXIJVOMWQCO-KGLIPLIRSA-N 1 0 260.381 2.900 50 0 CFAARO C[N@@H+]1C[C@H](C(=O)NCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000230104260 382855686 /nfs/dbraw/zinc/85/56/86/382855686.db2.gz ZJWWAGNNJPQPEN-ROUUACIJSA-N 1 0 294.398 2.648 50 0 CFAARO COCc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000230126789 382856063 /nfs/dbraw/zinc/85/60/63/382856063.db2.gz BYCWYPMBQKYTDI-HZPDHXFCSA-N 1 0 293.432 2.539 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nccc(OC)c1OC ZINC000233993943 382872914 /nfs/dbraw/zinc/87/29/14/382872914.db2.gz VZBOYSHMEGXNAX-SMDDNHRTSA-N 1 0 296.436 2.863 50 0 CFAARO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(C)(C)[NH3+] ZINC000237007525 382943689 /nfs/dbraw/zinc/94/36/89/382943689.db2.gz WVFOHFPTJJXZKF-LBPRGKRZSA-N 1 0 278.396 2.526 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237098577 382950189 /nfs/dbraw/zinc/95/01/89/382950189.db2.gz NAOMCFQAPYTBED-GXFFZTMASA-N 1 0 298.789 2.955 50 0 CFAARO C[C@@H]1CC[C@@H](C)N1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237430468 382960010 /nfs/dbraw/zinc/96/00/10/382960010.db2.gz HMCVLPZEUMXQAR-UMVBOHGHSA-N 1 0 260.381 2.866 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000237401516 382960052 /nfs/dbraw/zinc/96/00/52/382960052.db2.gz UCKNIQKRPZYAFE-JUDXGUMMSA-N 1 0 292.810 2.782 50 0 CFAARO CC(C)c1cccc(OCC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000236795048 382918474 /nfs/dbraw/zinc/91/84/74/382918474.db2.gz DNWGXADNNGRNIF-ZFWWWQNUSA-N 1 0 290.407 2.527 50 0 CFAARO O=C(NCCc1ccc2ccccc2c1)[C@@H]1CCCC[NH2+]1 ZINC000237898399 382973391 /nfs/dbraw/zinc/97/33/91/382973391.db2.gz XHUWCKMARRCJPR-KRWDZBQOSA-N 1 0 282.387 2.641 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)C1 ZINC000237932676 382974204 /nfs/dbraw/zinc/97/42/04/382974204.db2.gz JYXOHKUVMRLYMQ-BRWVUGGUSA-N 1 0 286.419 2.738 50 0 CFAARO O=C(NC1(c2ccccc2)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000237983992 382976257 /nfs/dbraw/zinc/97/62/57/382976257.db2.gz BSKZEHKGXDHEHN-CQSZACIVSA-N 1 0 272.392 2.572 50 0 CFAARO C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]CCc2ccccc2)[C@H]1C ZINC000239415229 382981581 /nfs/dbraw/zinc/98/15/81/382981581.db2.gz UALCJLFEJBRVTK-HLLBOEOZSA-N 1 0 288.435 2.760 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCCCO)C1 ZINC000241515517 382983726 /nfs/dbraw/zinc/98/37/26/382983726.db2.gz OFYHBCULHPANFM-SJORKVTESA-N 1 0 282.472 2.735 50 0 CFAARO Cc1ccc(C)c(N2CCN(C[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000244716201 382991233 /nfs/dbraw/zinc/99/12/33/382991233.db2.gz LKNLZYIKBYSRRM-QGZVFWFLSA-N 1 0 287.451 2.520 50 0 CFAARO C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)CC[NH3+] ZINC000237686995 382969090 /nfs/dbraw/zinc/96/90/90/382969090.db2.gz AQIIAAKTMUTEMA-WDEREUQCSA-N 1 0 268.788 2.639 50 0 CFAARO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000246018534 383058420 /nfs/dbraw/zinc/05/84/20/383058420.db2.gz KLUDHUUYDSZNDM-GUTXKFCHSA-N 1 0 260.381 2.816 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000246015321 383059019 /nfs/dbraw/zinc/05/90/19/383059019.db2.gz UHTOFRUNYUKFAK-BPNCWPANSA-N 1 0 265.328 2.806 50 0 CFAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCCC[C@H]1C ZINC000246056081 383060301 /nfs/dbraw/zinc/06/03/01/383060301.db2.gz DDAZDALYJHJOLG-MGPQQGTHSA-N 1 0 252.402 2.650 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247031228 383134531 /nfs/dbraw/zinc/13/45/31/383134531.db2.gz PHNYQWNEOKGUDD-FHLIZLRMSA-N 1 0 298.430 2.699 50 0 CFAARO CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246631160 383088384 /nfs/dbraw/zinc/08/83/84/383088384.db2.gz KJOJWLBLIYRIJI-KFWWJZLASA-N 1 0 292.448 2.819 50 0 CFAARO CC(C)(C)O[C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCC2 ZINC000585116633 383114703 /nfs/dbraw/zinc/11/47/03/383114703.db2.gz CWXRKVZMOTYLFN-YJNKXOJESA-N 1 0 279.424 2.639 50 0 CFAARO Fc1cccc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000585116172 383115195 /nfs/dbraw/zinc/11/51/95/383115195.db2.gz JQMWZGLGKQYROF-OAHLLOKOSA-N 1 0 274.343 2.644 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000248146563 383214268 /nfs/dbraw/zinc/21/42/68/383214268.db2.gz SBPSTKIOKIZLLH-IAGOWNOFSA-N 1 0 297.402 2.867 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCc2ccccc21 ZINC000248116707 383211844 /nfs/dbraw/zinc/21/18/44/383211844.db2.gz IWAAEBDXSPBRLY-RCCFBDPRSA-N 1 0 298.430 2.802 50 0 CFAARO CC(C)=CCN1CC[N@H+](C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000248238009 383220427 /nfs/dbraw/zinc/22/04/27/383220427.db2.gz CXGMBLZHGUTSOL-SJLPKXTDSA-N 1 0 288.435 2.692 50 0 CFAARO COC(=O)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459303431 383283934 /nfs/dbraw/zinc/28/39/34/383283934.db2.gz KUQYXBLOILSVRD-UHFFFAOYSA-N 1 0 275.339 2.697 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249095421 383326561 /nfs/dbraw/zinc/32/65/61/383326561.db2.gz ICKOUAFUHCMKPK-UEABVUSTSA-N 1 0 279.449 2.754 50 0 CFAARO Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000252505351 383415121 /nfs/dbraw/zinc/41/51/21/383415121.db2.gz LJCQJMNXAZJMSS-XIRDDKMYSA-N 1 0 299.418 2.943 50 0 CFAARO O=C1c2ccccc2C(=O)N1C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004731333 285020934 /nfs/dbraw/zinc/02/09/34/285020934.db2.gz IJHKXSCEURLJGJ-CZUORRHYSA-N 1 0 298.386 2.547 50 0 CFAARO c1cc(-c2ccc(N3CC[NH2+]CC3)cc2)cc2c1CCO2 ZINC000426414539 383398808 /nfs/dbraw/zinc/39/88/08/383398808.db2.gz IIRJHICGWNMAIF-UHFFFAOYSA-N 1 0 280.371 2.698 50 0 CFAARO C[C@@H](c1ccc(-c2nc(N(C)C)ns2)cc1)[NH+](C)C ZINC000426604514 383406890 /nfs/dbraw/zinc/40/68/90/383406890.db2.gz OUPRWTQGJIEIAX-JTQLQIEISA-N 1 0 276.409 2.894 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCc2ccsc2)C1 ZINC000426724066 383410107 /nfs/dbraw/zinc/41/01/07/383410107.db2.gz YHDCJBSDTCECIU-GFCCVEGCSA-N 1 0 293.436 2.516 50 0 CFAARO c1ccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CCOCO2)cc1 ZINC000252475154 383410292 /nfs/dbraw/zinc/41/02/92/383410292.db2.gz UXZHACMCGCOXEI-DLBZAZTESA-N 1 0 275.392 2.847 50 0 CFAARO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000252481391 383411343 /nfs/dbraw/zinc/41/13/43/383411343.db2.gz CKJNBFHVKVYIDL-IEBWSBKVSA-N 1 0 297.398 2.903 50 0 CFAARO CNc1nc(C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)cs1 ZINC000252490538 383412713 /nfs/dbraw/zinc/41/27/13/383412713.db2.gz KWSULNDLVHGYCV-NEPJUHHUSA-N 1 0 263.410 2.973 50 0 CFAARO Cn1ccnc1C[NH2+]C(C)(C)COCc1ccccc1 ZINC000252489968 383412987 /nfs/dbraw/zinc/41/29/87/383412987.db2.gz KGIXRHIEMWQFTH-UHFFFAOYSA-N 1 0 273.380 2.505 50 0 CFAARO CCc1cnc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)OC)o1 ZINC000252678560 383427677 /nfs/dbraw/zinc/42/76/77/383427677.db2.gz FIPQRCTUUIKPCW-BNOWGMLFSA-N 1 0 292.379 2.543 50 0 CFAARO CO[C@H](C[NH2+][C@@H]1CCO[C@H]1C)c1ccccc1Cl ZINC000253370133 383452269 /nfs/dbraw/zinc/45/22/69/383452269.db2.gz MLDQLGJZSPEJME-ZLKJLUDKSA-N 1 0 269.772 2.795 50 0 CFAARO COc1cccc(C2=CCN(Cc3c[nH]cn3)CC2)c1 ZINC000253417515 383457632 /nfs/dbraw/zinc/45/76/32/383457632.db2.gz LPDIEXCFCIBEGD-UHFFFAOYSA-N 1 0 269.348 2.708 50 0 CFAARO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000253432414 383459625 /nfs/dbraw/zinc/45/96/25/383459625.db2.gz YYMZOAOKBYQABS-KOZAUXTDSA-N 1 0 272.392 2.549 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)C1 ZINC000255008810 383474360 /nfs/dbraw/zinc/47/43/60/383474360.db2.gz UNFXXXWVHJSTSK-GCLPIYDQSA-N 1 0 298.308 2.526 50 0 CFAARO C/C(=C/C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000255154062 383477484 /nfs/dbraw/zinc/47/74/84/383477484.db2.gz JSPUJQPVLILTPM-NXIHDVOMSA-N 1 0 278.783 2.551 50 0 CFAARO CO[C@H](C[N@@H+]1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000252572433 383419292 /nfs/dbraw/zinc/41/92/92/383419292.db2.gz ZHZBSMOHGWAUKG-QZTJIDSGSA-N 1 0 298.386 2.922 50 0 CFAARO [NH3+][C@@H]1CC[C@@H]2CN(Cc3ncc(-c4ccccc4)s3)C[C@@H]12 ZINC000252552536 383419898 /nfs/dbraw/zinc/41/98/98/383419898.db2.gz UVTCEELAJRNNTR-RBSFLKMASA-N 1 0 299.443 2.979 50 0 CFAARO C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)[S@](C)=O ZINC000252585349 383421134 /nfs/dbraw/zinc/42/11/34/383421134.db2.gz HXSVPSZVPPTQOA-JUIVLLAYSA-N 1 0 279.449 2.925 50 0 CFAARO CN(Cc1ccn(C)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000271096407 385335513 /nfs/dbraw/zinc/33/55/13/385335513.db2.gz LRQMYXFXTVWKLP-GOSISDBHSA-N 1 0 298.434 2.517 50 0 CFAARO O=c1cc(C[NH+]2CCC(OC3CCCC3)CC2)cc[nH]1 ZINC000639472479 385550912 /nfs/dbraw/zinc/55/09/12/385550912.db2.gz KASJHANQWYOMQU-UHFFFAOYSA-N 1 0 276.380 2.711 50 0 CFAARO Cc1cccnc1[C@@H]([NH2+]Cc1cc(=O)c(O)co1)C(C)C ZINC000096424374 256759031 /nfs/dbraw/zinc/75/90/31/256759031.db2.gz WAEBGIQPLQRBAT-HNNXBMFYSA-N 1 0 288.347 2.536 50 0 CFAARO C[NH+](C)CCCCC(=O)NC(C)(C)c1cccs1 ZINC000096420840 256789117 /nfs/dbraw/zinc/78/91/17/256789117.db2.gz WSKFDLUSGUYSNC-UHFFFAOYSA-N 1 0 268.426 2.831 50 0 CFAARO c1ccc(SCC[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000096410321 256790592 /nfs/dbraw/zinc/79/05/92/256790592.db2.gz XGBCLKIRBGUILM-CQSZACIVSA-N 1 0 293.432 2.864 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000016487937 256857022 /nfs/dbraw/zinc/85/70/22/256857022.db2.gz NPFMVLLMEBJEBL-BZUAXINKSA-N 1 0 277.408 2.998 50 0 CFAARO C[C@H](CO)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000095973536 256882020 /nfs/dbraw/zinc/88/20/20/256882020.db2.gz KBBOSWQSGNEBND-SSDOTTSWSA-N 1 0 267.678 2.829 50 0 CFAARO CNc1nc(NCC[C@H]2CCCC[N@@H+]2C(C)C)ncc1F ZINC000824090529 781985794 /nfs/dbraw/zinc/98/57/94/781985794.db2.gz LIJSHBQGRRHROR-GFCCVEGCSA-N 1 0 295.406 2.722 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000824250073 781989055 /nfs/dbraw/zinc/98/90/55/781989055.db2.gz FGKSTGOSZIHJFV-SNVBAGLBSA-N 1 0 279.409 2.985 50 0 CFAARO O[C@H](C[NH2+]C1CCCC1)COC12CC3CC(CC(C3)C1)C2 ZINC000010434710 285354477 /nfs/dbraw/zinc/35/44/77/285354477.db2.gz QOBPLQVGQQBALC-UFPBRMSXSA-N 1 0 293.451 2.865 50 0 CFAARO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000000758201 169678193 /nfs/dbraw/zinc/67/81/93/169678193.db2.gz ATOIFDNGIQBLAA-HUUCEWRRSA-N 1 0 251.345 2.915 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccn(C)n1 ZINC000414059650 533417875 /nfs/dbraw/zinc/41/78/75/533417875.db2.gz WWEJDVMKUUWDTK-HIFRSBDPSA-N 1 0 288.395 2.501 50 0 CFAARO O=C(C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000015304358 393480168 /nfs/dbraw/zinc/48/01/68/393480168.db2.gz ITNJLOUCUYPIBX-UHFFFAOYSA-N 1 0 294.398 2.894 50 0 CFAARO c1ccc2sc(N3CC[C@H]([NH+]4CCCC4)C3)nc2c1 ZINC000072089567 285533584 /nfs/dbraw/zinc/53/35/84/285533584.db2.gz JRYJUQTYQFRJFD-LBPRGKRZSA-N 1 0 273.405 2.971 50 0 CFAARO COc1ccccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811622 393467212 /nfs/dbraw/zinc/46/72/12/393467212.db2.gz ZGDBLSGTBLBMDU-CHWSQXEVSA-N 1 0 276.380 2.612 50 0 CFAARO O=C(CCC1CC[NH+]([C@@H]2CCSC2)CC1)N1CCCC1 ZINC000012455354 393473975 /nfs/dbraw/zinc/47/39/75/393473975.db2.gz GCHBGPUCSYQRMK-OAHLLOKOSA-N 1 0 296.480 2.607 50 0 CFAARO C[C@@H]1CCc2c(C(=O)N3CCC[N@H+](C)CC3)csc2C1 ZINC000020501109 393486555 /nfs/dbraw/zinc/48/65/55/393486555.db2.gz AYSPUXGIUCPVAY-GFCCVEGCSA-N 1 0 292.448 2.651 50 0 CFAARO C/C=C/C=C/C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036398067 393525977 /nfs/dbraw/zinc/52/59/77/393525977.db2.gz JIGWMEBXATXHDS-VYISXOKISA-N 1 0 270.376 2.509 50 0 CFAARO C[C@@H](SCc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000048609125 393590278 /nfs/dbraw/zinc/59/02/78/393590278.db2.gz NPHMBIYMHAVPGN-CYBMUJFWSA-N 1 0 292.448 2.519 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063193569 393630176 /nfs/dbraw/zinc/63/01/76/393630176.db2.gz YLQQQUQECDGTID-HIFRSBDPSA-N 1 0 260.381 2.645 50 0 CFAARO Cc1cnc(N[C@H](C[NH+](C)C)c2ccccc2)nc1N(C)C ZINC000065504120 393630892 /nfs/dbraw/zinc/63/08/92/393630892.db2.gz IYTHGAABZJPDCD-OAHLLOKOSA-N 1 0 299.422 2.566 50 0 CFAARO Cc1ccc(-c2cc(O)c3c(c2)C[NH2+]CCO3)cc1 ZINC000067674253 393633855 /nfs/dbraw/zinc/63/38/55/393633855.db2.gz ZERCCIGGHYFWET-UHFFFAOYSA-N 1 0 255.317 2.850 50 0 CFAARO CC(C)[C@@H]([NH2+]C1CSCCSC1)c1nccn1C ZINC000067894428 393634178 /nfs/dbraw/zinc/63/41/78/393634178.db2.gz PYQOBTOEEFPWDT-GFCCVEGCSA-N 1 0 285.482 2.555 50 0 CFAARO CC(C)c1nn(C)c(Cl)c1CNCC(C)(C)[NH+](C)C ZINC000069645330 393636528 /nfs/dbraw/zinc/63/65/28/393636528.db2.gz CGEAAYSDFHZVTG-UHFFFAOYSA-N 1 0 286.851 2.627 50 0 CFAARO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000069417829 393636790 /nfs/dbraw/zinc/63/67/90/393636790.db2.gz PAYXOQCNESJZGV-ZFWWWQNUSA-N 1 0 290.407 2.560 50 0 CFAARO CCn1cc(C[N@@H+]2CCCN(c3ccccc3C)CC2)cn1 ZINC000072168763 393641973 /nfs/dbraw/zinc/64/19/73/393641973.db2.gz LMKNCYQYBINTEI-UHFFFAOYSA-N 1 0 298.434 2.924 50 0 CFAARO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000072289017 393650040 /nfs/dbraw/zinc/65/00/40/393650040.db2.gz BTNIYVUXEIFSGC-KFWWJZLASA-N 1 0 295.471 2.985 50 0 CFAARO Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193997136 393670615 /nfs/dbraw/zinc/67/06/15/393670615.db2.gz MOSCUTPKIPENCG-OAHLLOKOSA-N 1 0 285.391 2.977 50 0 CFAARO Cc1cc(N2CCCN(C(=O)[C@H]3CC=CCC3)CC2)cc[nH+]1 ZINC000082156149 393739092 /nfs/dbraw/zinc/73/90/92/393739092.db2.gz YIWCRFUGFOUFKB-INIZCTEOSA-N 1 0 299.418 2.785 50 0 CFAARO C[NH+](C)CCCOC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000080346533 393726196 /nfs/dbraw/zinc/72/61/96/393726196.db2.gz XBMXKYAFVZLYME-UHFFFAOYSA-N 1 0 265.397 2.698 50 0 CFAARO C[NH2+]CCN(C)C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000237355936 393792979 /nfs/dbraw/zinc/79/29/79/393792979.db2.gz QXSRWHYRRDNBQL-UHFFFAOYSA-N 1 0 292.379 2.846 50 0 CFAARO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@@H](C)[N@H+](C)C[C@H]2C ZINC000245232371 393799745 /nfs/dbraw/zinc/79/97/45/393799745.db2.gz URLGZASRDBGECB-JDOCFBBISA-N 1 0 289.379 2.515 50 0 CFAARO CCC(=O)N1N=C2[C@@H]([C@H]1c1ccco1)[C@@H](C)[N@H+](C)C[C@H]2C ZINC000245232373 393799776 /nfs/dbraw/zinc/79/97/76/393799776.db2.gz URLGZASRDBGECB-TWINXVHLSA-N 1 0 289.379 2.515 50 0 CFAARO NC(=O)CC[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000096410323 393824034 /nfs/dbraw/zinc/82/40/34/393824034.db2.gz LEOBCSSXBSUDQX-CQSZACIVSA-N 1 0 292.448 2.756 50 0 CFAARO CC[NH+](CC)CC(=O)N1C[C@@H](c2ccsc2)C[C@H]1C ZINC000096421770 393828658 /nfs/dbraw/zinc/82/86/58/393828658.db2.gz GSQLZUGUPORPMH-OCCSQVGLSA-N 1 0 280.437 2.794 50 0 CFAARO COCC1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000096424227 393829468 /nfs/dbraw/zinc/82/94/68/393829468.db2.gz HGLOGFXQHVXLOI-UHFFFAOYSA-N 1 0 277.408 2.986 50 0 CFAARO CNC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000096424515 393829678 /nfs/dbraw/zinc/82/96/78/393829678.db2.gz GUBWTQFUSACUDL-OAHLLOKOSA-N 1 0 260.381 2.576 50 0 CFAARO CC[NH+]1CCC(CCNC(=O)CSC(C)(C)C)CC1 ZINC000096426619 393829709 /nfs/dbraw/zinc/82/97/09/393829709.db2.gz PKHAWEIORDZXLP-UHFFFAOYSA-N 1 0 286.485 2.756 50 0 CFAARO FC(F)(F)c1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000112792953 393894469 /nfs/dbraw/zinc/89/44/69/393894469.db2.gz OXFSANKFBWCECA-LLVKDONJSA-N 1 0 259.271 2.974 50 0 CFAARO CSCCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245966684 393841219 /nfs/dbraw/zinc/84/12/19/393841219.db2.gz ZDIBZCFQUBJLKF-JHJVBQTASA-N 1 0 257.443 2.923 50 0 CFAARO c1csc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)c1 ZINC000072242430 285567456 /nfs/dbraw/zinc/56/74/56/285567456.db2.gz ZCEGJPDRAIAXRO-HNNXBMFYSA-N 1 0 284.388 2.871 50 0 CFAARO Cc1cn2c(n1)CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)C2 ZINC000252510124 393936931 /nfs/dbraw/zinc/93/69/31/393936931.db2.gz ZBVOQQIZZABFRE-OCCSQVGLSA-N 1 0 271.364 2.563 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000249098795 393920603 /nfs/dbraw/zinc/92/06/03/393920603.db2.gz OZHFYBVNJNQYPR-BPUTZDHNSA-N 1 0 297.464 2.630 50 0 CFAARO c1ccc(N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000023283431 134742895 /nfs/dbraw/zinc/74/28/95/134742895.db2.gz KLJQHNMSPBDNPG-UHFFFAOYSA-N 1 0 278.399 2.976 50 0 CFAARO CC1(C)Cc2cccc(C[NH2+]CC3(CCO)CC3)c2O1 ZINC000157310822 394343574 /nfs/dbraw/zinc/34/35/74/394343574.db2.gz REBITIFJQMQYHS-UHFFFAOYSA-N 1 0 275.392 2.652 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(C)C1c2ccccc2-c2ccccc21 ZINC000157396252 394344840 /nfs/dbraw/zinc/34/48/40/394344840.db2.gz GHQLLTDVFORJHO-LLVKDONJSA-N 1 0 266.344 2.562 50 0 CFAARO O=C(Nc1ccccc1OC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000178037378 394385827 /nfs/dbraw/zinc/38/58/27/394385827.db2.gz BBNCLZJHNWJJHU-ZDUSSCGKSA-N 1 0 288.391 2.946 50 0 CFAARO C[C@@H]1CN(c2ccccc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000034823268 135083224 /nfs/dbraw/zinc/08/32/24/135083224.db2.gz FJHCSZVTMARRAT-BETUJISGSA-N 1 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MCZAHWJMGYRWLB-CYBMUJFWSA-N 1 0 279.380 2.610 50 0 CFAARO Cc1nnc(NC[C@@H](c2cccc(C)c2)[NH+](C)C)s1 ZINC000825213810 782004397 /nfs/dbraw/zinc/00/43/97/782004397.db2.gz VUKJOJLSGZAXPT-ZDUSSCGKSA-N 1 0 276.409 2.870 50 0 CFAARO Cc1cccc(-n2ncnc2CCC[NH+]2CCCC2)c1 ZINC000825224380 782006392 /nfs/dbraw/zinc/00/63/92/782006392.db2.gz CWENKTJJQWWTDO-UHFFFAOYSA-N 1 0 270.380 2.604 50 0 CFAARO Cc1nccn1C[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000825284210 782008847 /nfs/dbraw/zinc/00/88/47/782008847.db2.gz XLUNRAHMPICHPG-KRWDZBQOSA-N 1 0 299.418 2.983 50 0 CFAARO C[C@@H](O)CC[NH2+][C@H]1CCCSc2ccccc21 ZINC000089895549 287079881 /nfs/dbraw/zinc/07/98/81/287079881.db2.gz QNSWUJNGKGCFRV-YPMHNXCESA-N 1 0 251.395 2.974 50 0 CFAARO C[C@@H](c1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000069369935 287154167 /nfs/dbraw/zinc/15/41/67/287154167.db2.gz SNAWOHJDNNFVST-AWEZNQCLSA-N 1 0 259.397 2.703 50 0 CFAARO Fc1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1 ZINC000002727649 169822684 /nfs/dbraw/zinc/82/26/84/169822684.db2.gz DDGRQKSOQZJYTQ-UHFFFAOYSA-N 1 0 295.427 2.988 50 0 CFAARO C[NH+](C)CCCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002742802 169824498 /nfs/dbraw/zinc/82/44/98/169824498.db2.gz MIVRIXCZFANEAY-UHFFFAOYSA-N 1 0 262.397 2.666 50 0 CFAARO Cc1cc(OCCCC[NH2+]CCO)cc(C)c1Cl ZINC000002902917 169843174 /nfs/dbraw/zinc/84/31/74/169843174.db2.gz DAWCTUUGFUYRIC-UHFFFAOYSA-N 1 0 271.788 2.698 50 0 CFAARO CCOCCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000002923968 169844530 /nfs/dbraw/zinc/84/45/30/169844530.db2.gz LJFJIPOANMZZGA-UHFFFAOYSA-N 1 0 281.396 2.999 50 0 CFAARO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000004743825 170009655 /nfs/dbraw/zinc/00/96/55/170009655.db2.gz XTSGSHNPNOHSJD-CYBMUJFWSA-N 1 0 276.380 2.756 50 0 CFAARO O=C(c1ccccc1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004745896 170010382 /nfs/dbraw/zinc/01/03/82/170010382.db2.gz PRKJESMQXVZENJ-INIZCTEOSA-N 1 0 284.403 2.801 50 0 CFAARO C[N@H+](CCOC(=O)c1ccccc1)Cc1ccccc1 ZINC000004755703 170012860 /nfs/dbraw/zinc/01/28/60/170012860.db2.gz LNFCVVWJVGIGMB-UHFFFAOYSA-N 1 0 269.344 2.975 50 0 CFAARO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2OC)cc1OC ZINC000004838074 170026914 /nfs/dbraw/zinc/02/69/14/170026914.db2.gz AGSMUKLNMPEAMR-HUUCEWRRSA-N 1 0 293.407 2.794 50 0 CFAARO COc1cc(C)c(C[N@H+](C)C2CCN(C)CC2)cc1C ZINC000004838187 170026945 /nfs/dbraw/zinc/02/69/45/170026945.db2.gz QMJLBLRTFUFKJP-UHFFFAOYSA-N 1 0 276.424 2.838 50 0 CFAARO CC[NH+](CC)CCOc1ccc(C(C)=O)cc1OC ZINC000004870293 170034540 /nfs/dbraw/zinc/03/45/40/170034540.db2.gz FZQKZFFNOYQGMP-UHFFFAOYSA-N 1 0 265.353 2.618 50 0 CFAARO c1ccc(OCCOCC[NH+]2CCCCCC2)cc1 ZINC000004913815 170040823 /nfs/dbraw/zinc/04/08/23/170040823.db2.gz PPLRGOUSBKSPKV-UHFFFAOYSA-N 1 0 263.381 2.958 50 0 CFAARO COC(=O)c1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004985810 170048948 /nfs/dbraw/zinc/04/89/48/170048948.db2.gz NGVRRFNTLUICMV-CHWSQXEVSA-N 1 0 261.365 2.951 50 0 CFAARO COc1cccc(OCCOCC[NH+]2CCCCC2)c1 ZINC000004989774 170049964 /nfs/dbraw/zinc/04/99/64/170049964.db2.gz FNCRXKABVHLATG-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO Cc1cccc2cc(C[NH2+]Cc3cccnc3)c(=O)[nH]c12 ZINC000004993343 170051069 /nfs/dbraw/zinc/05/10/69/170051069.db2.gz AXRLMDDERNBGIG-UHFFFAOYSA-N 1 0 279.343 2.521 50 0 CFAARO COc1ccc(-c2noc(C[NH2+]C(C)(C)C)n2)cc1OC ZINC000005014594 170055603 /nfs/dbraw/zinc/05/56/03/170055603.db2.gz LWOLBIGQNILHRL-UHFFFAOYSA-N 1 0 291.351 2.642 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000005019514 170056490 /nfs/dbraw/zinc/05/64/90/170056490.db2.gz WNIAHURKSJXAEO-LBPRGKRZSA-N 1 0 255.745 2.617 50 0 CFAARO CCC[NH+]1CCN(C(=S)Nc2ccc(F)cc2F)CC1 ZINC000005063026 170062522 /nfs/dbraw/zinc/06/25/22/170062522.db2.gz IKBKWYRFOIYWKY-UHFFFAOYSA-N 1 0 299.390 2.689 50 0 CFAARO Oc1cccc([C@@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000005074061 170064441 /nfs/dbraw/zinc/06/44/41/170064441.db2.gz YAXWJUCCMGIEJI-BMRMXDDPSA-N 1 0 287.403 2.984 50 0 CFAARO Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000005186747 170074908 /nfs/dbraw/zinc/07/49/08/170074908.db2.gz JJONHCYTZQPOEH-HNNXBMFYSA-N 1 0 263.381 2.529 50 0 CFAARO O=C1CS[C@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000005774994 170139731 /nfs/dbraw/zinc/13/97/31/170139731.db2.gz DGFFZZLVGJPRCR-MRXNPFEDSA-N 1 0 290.432 2.747 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1ccccc1C(C)C ZINC000005837768 170145541 /nfs/dbraw/zinc/14/55/41/170145541.db2.gz YXLBZEOCIGIKBD-ZDUSSCGKSA-N 1 0 251.370 2.548 50 0 CFAARO Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000006426823 170200365 /nfs/dbraw/zinc/20/03/65/170200365.db2.gz NBYFHVJOHIUSPW-OAHLLOKOSA-N 1 0 254.333 2.504 50 0 CFAARO CCC[NH2+]Cc1cc(Br)ccc1OC ZINC000006430872 170200974 /nfs/dbraw/zinc/20/09/74/170200974.db2.gz KDPBEEPECHYIEH-UHFFFAOYSA-N 1 0 258.159 2.957 50 0 CFAARO [NH3+]C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000006645715 170221925 /nfs/dbraw/zinc/22/19/25/170221925.db2.gz BDWOJIBKVAHWJJ-CYBMUJFWSA-N 1 0 280.327 2.987 50 0 CFAARO CCOc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000006656849 170222810 /nfs/dbraw/zinc/22/28/10/170222810.db2.gz XKQQCFHVWTWNOK-UHFFFAOYSA-N 1 0 276.380 2.900 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000006667452 170224311 /nfs/dbraw/zinc/22/43/11/170224311.db2.gz BJRJHSIVXVLLHI-CQSZACIVSA-N 1 0 265.397 2.722 50 0 CFAARO CCCCOc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000006699605 170228583 /nfs/dbraw/zinc/22/85/83/170228583.db2.gz GQVATANSQFAQPV-UHFFFAOYSA-N 1 0 290.407 2.643 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccccc2C=O)C1 ZINC000006701091 170229419 /nfs/dbraw/zinc/22/94/19/170229419.db2.gz ZTEAACLPCHETDX-OKILXGFUSA-N 1 0 261.365 2.856 50 0 CFAARO Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC000006731550 170235915 /nfs/dbraw/zinc/23/59/15/170235915.db2.gz JWDNETXXJHCBDL-UHFFFAOYSA-N 1 0 261.369 2.519 50 0 CFAARO Nc1cc(N)[nH+]c(SCc2nc3ccccc3s2)n1 ZINC000006831837 170247921 /nfs/dbraw/zinc/24/79/21/170247921.db2.gz SUALSIWVQXEZEX-UHFFFAOYSA-N 1 0 289.389 2.543 50 0 CFAARO CC(C)(C)[NH2+]CCCNC(=S)Nc1ccccc1F ZINC000006906179 170254343 /nfs/dbraw/zinc/25/43/43/170254343.db2.gz MLMFSLXRWNMMME-UHFFFAOYSA-N 1 0 283.416 2.890 50 0 CFAARO NC(=O)c1ccc[n+](Cc2ccc(-c3ccccc3)cc2)c1 ZINC000006931164 170256358 /nfs/dbraw/zinc/25/63/58/170256358.db2.gz TZCMHQCNGUTKHM-UHFFFAOYSA-O 1 0 289.358 2.788 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000007016218 170262463 /nfs/dbraw/zinc/26/24/63/170262463.db2.gz KXDGCQBVVILKGW-JSGCOSHPSA-N 1 0 283.799 2.954 50 0 CFAARO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000007380714 170281024 /nfs/dbraw/zinc/28/10/24/170281024.db2.gz CVYXKCXVVRPKRK-ZDUSSCGKSA-N 1 0 260.381 2.566 50 0 CFAARO C[N@@H+]1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000007526345 170288854 /nfs/dbraw/zinc/28/88/54/170288854.db2.gz RSFJYZMHFCFEQI-UHFFFAOYSA-N 1 0 283.828 2.674 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000007525335 170289006 /nfs/dbraw/zinc/28/90/06/170289006.db2.gz DTAZZEUVFFBNAW-CQSZACIVSA-N 1 0 299.418 2.701 50 0 CFAARO Cc1[nH]c2ccccc2c(=O)c1C[N@@H+](C)C1CCN(C)CC1 ZINC000008700912 170346846 /nfs/dbraw/zinc/34/68/46/170346846.db2.gz RROQIFFVZFLFDA-UHFFFAOYSA-N 1 0 299.418 2.775 50 0 CFAARO Nc1cc(N)[nH+]c(SCc2cc(-c3ccccc3)no2)n1 ZINC000008727453 170349891 /nfs/dbraw/zinc/34/98/91/170349891.db2.gz YAEDGVONPYDEID-UHFFFAOYSA-N 1 0 299.359 2.588 50 0 CFAARO CCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063189 170362864 /nfs/dbraw/zinc/36/28/64/170362864.db2.gz XFPNOWIJNCUWCD-UHFFFAOYSA-N 1 0 280.799 2.688 50 0 CFAARO Cc1csc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc(=O)n12 ZINC000009254070 170368644 /nfs/dbraw/zinc/36/86/44/170368644.db2.gz ZFPOGZFWMLFWTO-GHMZBOCLSA-N 1 0 291.420 2.542 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(C=O)cc2)C1 ZINC000009261285 170369332 /nfs/dbraw/zinc/36/93/32/170369332.db2.gz RAKUMOBFTRTYFN-ZIAGYGMSSA-N 1 0 261.365 2.856 50 0 CFAARO C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000009500263 170379169 /nfs/dbraw/zinc/37/91/69/170379169.db2.gz IZAUWBRCLCXUJA-AWEZNQCLSA-N 1 0 293.370 2.888 50 0 CFAARO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000012936508 170521843 /nfs/dbraw/zinc/52/18/43/170521843.db2.gz MKZDYEBYAOSKTK-LLVKDONJSA-N 1 0 286.400 2.966 50 0 CFAARO COc1cccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000013771832 170591747 /nfs/dbraw/zinc/59/17/47/170591747.db2.gz UGOAGCAVPCSLHF-QLFBSQMISA-N 1 0 293.407 2.698 50 0 CFAARO Cc1ccc(COC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000016578588 170702603 /nfs/dbraw/zinc/70/26/03/170702603.db2.gz CTVNKDWSXDCUMW-XYJFISCASA-N 1 0 291.435 2.850 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1ccccc1Br ZINC000017009383 170720648 /nfs/dbraw/zinc/72/06/48/170720648.db2.gz VVXYXSNTADFJJY-UHFFFAOYSA-N 1 0 285.185 2.729 50 0 CFAARO c1ccc(CC[NH+]2CCC(NN3CCCCC3)CC2)cc1 ZINC000019170686 170754533 /nfs/dbraw/zinc/75/45/33/170754533.db2.gz PFHVMUHGTPAIKU-UHFFFAOYSA-N 1 0 287.451 2.684 50 0 CFAARO Cc1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000019364369 170776848 /nfs/dbraw/zinc/77/68/48/170776848.db2.gz JATGIVNOAIPGEH-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO CSc1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000020127046 171012456 /nfs/dbraw/zinc/01/24/56/171012456.db2.gz VORCIOIOJHSXFB-UHFFFAOYSA-N 1 0 250.411 2.594 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccncc1 ZINC000020137859 171025141 /nfs/dbraw/zinc/02/51/41/171025141.db2.gz OVHIQOWXRQVDNB-OCCSQVGLSA-N 1 0 270.332 2.572 50 0 CFAARO COc1ccccc1CCC[N@H+](C)Cc1cc(C)n[nH]1 ZINC000020210894 171073688 /nfs/dbraw/zinc/07/36/88/171073688.db2.gz MRGDYSVLMLNFGK-UHFFFAOYSA-N 1 0 273.380 2.791 50 0 CFAARO Cc1cccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000020271461 171126165 /nfs/dbraw/zinc/12/61/65/171126165.db2.gz CMYPGNJEDGFJDQ-SFHVURJKSA-N 1 0 290.451 2.520 50 0 CFAARO Cc1ccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)s1 ZINC000020293785 171134133 /nfs/dbraw/zinc/13/41/33/171134133.db2.gz ZEMAHOYXOAHHGN-HNNXBMFYSA-N 1 0 296.480 2.581 50 0 CFAARO CC[NH+]1CCN(CCOc2cccc3ccccc32)CC1 ZINC000020322955 171150326 /nfs/dbraw/zinc/15/03/26/171150326.db2.gz NWPMWBFDPSIQKB-UHFFFAOYSA-N 1 0 284.403 2.856 50 0 CFAARO CN(C)CC[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000020418781 171183644 /nfs/dbraw/zinc/18/36/44/171183644.db2.gz MUHFCLXBZOBTJC-UHFFFAOYSA-N 1 0 290.329 2.626 50 0 CFAARO CN(C)CC[NH2+]CCOc1ccc(-c2ccccc2)cc1 ZINC000020418868 171184048 /nfs/dbraw/zinc/18/40/48/171184048.db2.gz TWKSPPWABGWIKG-UHFFFAOYSA-N 1 0 284.403 2.884 50 0 CFAARO C[C@H]([NH2+]CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000020445532 171206365 /nfs/dbraw/zinc/20/63/65/171206365.db2.gz IORILOKNTLZJQO-ZDUSSCGKSA-N 1 0 293.370 2.816 50 0 CFAARO CCn1nc(C)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000020535455 171241294 /nfs/dbraw/zinc/24/12/94/171241294.db2.gz ZJVGLWJKDLTTDF-MRXNPFEDSA-N 1 0 290.455 2.580 50 0 CFAARO Cc1noc2ncnc(NCCC[N@H+]3CCCC[C@H]3C)c12 ZINC000020575199 171256111 /nfs/dbraw/zinc/25/61/11/171256111.db2.gz BWGWQKIHMARRLH-LLVKDONJSA-N 1 0 289.383 2.603 50 0 CFAARO Fc1cccc(-c2noc(CC[NH+]3CCCCC3)n2)c1 ZINC000020601105 171266587 /nfs/dbraw/zinc/26/65/87/171266587.db2.gz NIKCXDOCXPUEMV-UHFFFAOYSA-N 1 0 275.327 2.904 50 0 CFAARO CC[C@H](C)Oc1ccccc1OCCCN1CCOCC1 ZINC000020652515 171268784 /nfs/dbraw/zinc/26/87/84/171268784.db2.gz XHRGCGSQTHWDSK-HNNXBMFYSA-N 1 0 293.407 2.965 50 0 CFAARO O[C@H]1CC[N@H+](CCc2ccc(-c3ccccc3)cc2)C1 ZINC000020706811 171269992 /nfs/dbraw/zinc/26/99/92/171269992.db2.gz XPGWZJHRLUGYAO-SFHVURJKSA-N 1 0 267.372 2.963 50 0 CFAARO O=c1c2ccccc2ncn1CCC[NH2+]C1CCCCC1 ZINC000020734244 171270735 /nfs/dbraw/zinc/27/07/35/171270735.db2.gz AOAMEZHOKOJHLR-UHFFFAOYSA-N 1 0 285.391 2.709 50 0 CFAARO CCCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000020931013 171280934 /nfs/dbraw/zinc/28/09/34/171280934.db2.gz LLXWTWKOXDQTNW-CQSZACIVSA-N 1 0 279.380 2.753 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020967728 171281936 /nfs/dbraw/zinc/28/19/36/171281936.db2.gz GLXBPFWFECATSO-ZDUSSCGKSA-N 1 0 282.815 2.923 50 0 CFAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)cc1)C1CCOCC1 ZINC000020998653 171283989 /nfs/dbraw/zinc/28/39/89/171283989.db2.gz LZKCUBGGLMHYSZ-UHFFFAOYSA-N 1 0 271.364 2.688 50 0 CFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000020998479 171284229 /nfs/dbraw/zinc/28/42/29/171284229.db2.gz RADPZLVPRYSAOO-HNNXBMFYSA-N 1 0 269.344 2.789 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(F)c1 ZINC000021938364 171338184 /nfs/dbraw/zinc/33/81/84/171338184.db2.gz KWCJDSAFSDQXSQ-UHFFFAOYSA-N 1 0 286.350 2.817 50 0 CFAARO CC(C)[NH+](C[C@H](O)COc1ccccc1)C(C)C ZINC000022203577 171372647 /nfs/dbraw/zinc/37/26/47/171372647.db2.gz FGTFGAKZNUNYAX-AWEZNQCLSA-N 1 0 251.370 2.545 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000023281868 171418861 /nfs/dbraw/zinc/41/88/61/171418861.db2.gz FCOMFRNUTWRVLE-AWEZNQCLSA-N 1 0 298.386 2.546 50 0 CFAARO OC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1O ZINC000034785135 171867311 /nfs/dbraw/zinc/86/73/11/171867311.db2.gz JPLSIBRFAFEEDC-NVXWUHKLSA-N 1 0 283.371 2.600 50 0 CFAARO OCC1([N@H+](Cc2cnc3ccccc3n2)C2CC2)CCC1 ZINC000660773116 413556371 /nfs/dbraw/zinc/55/63/71/413556371.db2.gz ZFSTXCRDRXDVBF-UHFFFAOYSA-N 1 0 283.375 2.509 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000035358095 172148623 /nfs/dbraw/zinc/14/86/23/172148623.db2.gz NPFMVLLMEBJEBL-XHSDSOJGSA-N 1 0 277.408 2.998 50 0 CFAARO C[C@H](CO)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000035602985 172292109 /nfs/dbraw/zinc/29/21/09/172292109.db2.gz FFORVYYRQNVMFQ-GHMZBOCLSA-N 1 0 273.323 2.580 50 0 CFAARO Cn1c(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc2ccccc21 ZINC000035686508 172354567 /nfs/dbraw/zinc/35/45/67/172354567.db2.gz WWGDLPPTFNEGFS-UHFFFAOYSA-N 1 0 299.418 2.735 50 0 CFAARO C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1cccs1 ZINC000035736799 172389784 /nfs/dbraw/zinc/38/97/84/172389784.db2.gz SFEHPRJRTRTMBM-BXUZGUMPSA-N 1 0 286.400 2.640 50 0 CFAARO Cc1ncccc1C[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000657795765 413948312 /nfs/dbraw/zinc/94/83/12/413948312.db2.gz OEVROAYZYSCCJK-DYVFJYSZSA-N 1 0 270.376 2.644 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(C)(C)C(F)F ZINC000657917296 414050540 /nfs/dbraw/zinc/05/05/40/414050540.db2.gz BYXZZPISZZQOBB-RYUDHWBXSA-N 1 0 298.381 2.715 50 0 CFAARO COCCc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000037429280 173199815 /nfs/dbraw/zinc/19/98/15/173199815.db2.gz REHZBGYCEVQZOW-UHFFFAOYSA-N 1 0 263.381 2.644 50 0 CFAARO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000658015665 414105583 /nfs/dbraw/zinc/10/55/83/414105583.db2.gz STPARFYNLSCYDB-FZKCQIBNSA-N 1 0 274.408 2.572 50 0 CFAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C1CCC1 ZINC000038584327 174148786 /nfs/dbraw/zinc/14/87/86/174148786.db2.gz ZIXZSAKBKLWTDM-UHFFFAOYSA-N 1 0 292.448 2.876 50 0 CFAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)CN1CCCCC1 ZINC000039794768 174173056 /nfs/dbraw/zinc/17/30/56/174173056.db2.gz VYPFKWHOHHGMEE-AWEZNQCLSA-N 1 0 257.381 2.524 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Cl)s1 ZINC000039985580 174181570 /nfs/dbraw/zinc/18/15/70/174181570.db2.gz NVPLFUJKXIJWRD-UHFFFAOYSA-N 1 0 272.801 2.617 50 0 CFAARO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000040050476 174185196 /nfs/dbraw/zinc/18/51/96/174185196.db2.gz HZINDFKNDSIVSL-CYBMUJFWSA-N 1 0 260.381 2.972 50 0 CFAARO Cc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1F ZINC000040074556 174187640 /nfs/dbraw/zinc/18/76/40/174187640.db2.gz VTEXQIOHAJZTHL-UHFFFAOYSA-N 1 0 278.371 2.740 50 0 CFAARO C[N@H+](CC(=O)Nc1ccccc1F)C1CCCC1 ZINC000040477308 174282925 /nfs/dbraw/zinc/28/29/25/174282925.db2.gz HLGOXPYFEHOJOJ-UHFFFAOYSA-N 1 0 250.317 2.639 50 0 CFAARO C[NH+](C)C1(CNC(=O)CCc2cccs2)CCCC1 ZINC000040523085 174311568 /nfs/dbraw/zinc/31/15/68/174311568.db2.gz LGJTXGOODYLQAO-UHFFFAOYSA-N 1 0 280.437 2.671 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]CCN(C)C)cc1Cl ZINC000040719698 174385476 /nfs/dbraw/zinc/38/54/76/174385476.db2.gz VGOAOGUHHSFYHU-UHFFFAOYSA-N 1 0 270.804 2.778 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+]CCCCO)cc1OC ZINC000040721066 174385654 /nfs/dbraw/zinc/38/56/54/174385654.db2.gz XTENJWSACCBWRF-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO COc1cc(Cl)cc(C[NH2+]C[C@H](C)O)c1OC(C)C ZINC000040743916 174391506 /nfs/dbraw/zinc/39/15/06/174391506.db2.gz UIRONDJDEPXLAV-JTQLQIEISA-N 1 0 287.787 2.606 50 0 CFAARO O[C@@H]1CCCc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000044746466 175242799 /nfs/dbraw/zinc/24/27/99/175242799.db2.gz FKEOWMMDDAEMHE-MRXNPFEDSA-N 1 0 261.365 2.531 50 0 CFAARO OCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000046090942 175393072 /nfs/dbraw/zinc/39/30/72/175393072.db2.gz GPJGJCKPUCHXLX-UHFFFAOYSA-N 1 0 273.298 2.910 50 0 CFAARO CCC[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000047891949 175415458 /nfs/dbraw/zinc/41/54/58/175415458.db2.gz IOSYVGUUEHZJED-UHFFFAOYSA-N 1 0 292.398 2.872 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)CCc1c[nH]c2ccccc12)C1CC1 ZINC000047921134 175416277 /nfs/dbraw/zinc/41/62/77/175416277.db2.gz ZYCHHTJXPFCULT-KRWDZBQOSA-N 1 0 299.418 2.557 50 0 CFAARO CCc1ccccc1[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000052200609 175533954 /nfs/dbraw/zinc/53/39/54/175533954.db2.gz QMRUYZAQRFGBDT-CYBMUJFWSA-N 1 0 264.369 2.774 50 0 CFAARO Cc1ccc(CCC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000058007354 175605455 /nfs/dbraw/zinc/60/54/55/175605455.db2.gz BHZZXPKWKGYUNJ-UHFFFAOYSA-N 1 0 288.435 2.918 50 0 CFAARO NC(=[NH2+])NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000058162701 175608757 /nfs/dbraw/zinc/60/87/57/175608757.db2.gz HQGNNYJAJWUZCK-UHFFFAOYSA-N 1 0 291.358 2.522 50 0 CFAARO CCO[C@@H](C)C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000058175485 175609944 /nfs/dbraw/zinc/60/99/44/175609944.db2.gz AYUGPVQDRKZHID-AWEZNQCLSA-N 1 0 292.423 2.570 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000063022331 175681474 /nfs/dbraw/zinc/68/14/74/175681474.db2.gz DMDHVKUYRQYDCO-LBPRGKRZSA-N 1 0 280.799 2.720 50 0 CFAARO O=C1CC2(CN1)CC[NH+](CCCC1CCCC1)CC2 ZINC000065380367 175724635 /nfs/dbraw/zinc/72/46/35/175724635.db2.gz UJBPMEMOKVQZQE-UHFFFAOYSA-N 1 0 264.413 2.559 50 0 CFAARO Cc1csc2nc(C[N@H+]3[C@H](C)CCC[C@@H]3C)cc(=O)n12 ZINC000065479384 175741779 /nfs/dbraw/zinc/74/17/79/175741779.db2.gz SUPKGANDADDWPD-PHIMTYICSA-N 1 0 291.420 2.827 50 0 CFAARO COc1ccc(-c2cccc([C@H](C)[NH+](C)C)c2)nn1 ZINC000065527165 175747027 /nfs/dbraw/zinc/74/70/27/175747027.db2.gz HISMQDMWPTZNOO-NSHDSACASA-N 1 0 257.337 2.775 50 0 CFAARO c1cncc(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000069607822 175842679 /nfs/dbraw/zinc/84/26/79/175842679.db2.gz XDOPKVPDCBXFAB-MRXNPFEDSA-N 1 0 259.397 2.532 50 0 CFAARO CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701407 175848516 /nfs/dbraw/zinc/84/85/16/175848516.db2.gz HKLWRDKEQSPEPS-HOCLYGCPSA-N 1 0 274.408 2.781 50 0 CFAARO Cc1cc(C)c(NC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC000071375992 176141021 /nfs/dbraw/zinc/14/10/21/176141021.db2.gz BCTPBVXNFAXDKC-UHFFFAOYSA-N 1 0 260.381 2.892 50 0 CFAARO c1cc(C2CCCC2)nc(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000071416212 176160408 /nfs/dbraw/zinc/16/04/08/176160408.db2.gz FOBHFAOFYYRMPW-HNNXBMFYSA-N 1 0 272.396 2.640 50 0 CFAARO Cc1cc(C2CCC2)nc(N(C)CC2CC[NH+](C)CC2)n1 ZINC000071551836 176196377 /nfs/dbraw/zinc/19/63/77/176196377.db2.gz QHVKQWPXIJETAQ-UHFFFAOYSA-N 1 0 288.439 2.831 50 0 CFAARO C[NH2+]CC(=O)N[C@H](c1cccs1)C1CCCCC1 ZINC000071750899 176260082 /nfs/dbraw/zinc/26/00/82/176260082.db2.gz ANEWOQWNNHBEHF-AWEZNQCLSA-N 1 0 266.410 2.705 50 0 CFAARO CCN(Cc1ccccc1F)C(=O)[C@H]([NH3+])CC(C)C ZINC000071755142 176260946 /nfs/dbraw/zinc/26/09/46/176260946.db2.gz HAJIRSBYHVPJEJ-CQSZACIVSA-N 1 0 266.360 2.548 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC000071872077 176284264 /nfs/dbraw/zinc/28/42/64/176284264.db2.gz YYBWTLJYXVOXDL-UHFFFAOYSA-N 1 0 267.735 2.774 50 0 CFAARO [NH3+]CCSc1cc(C(F)(F)F)cc(Cl)n1 ZINC000071873561 176284305 /nfs/dbraw/zinc/28/43/05/176284305.db2.gz KUKJUCYJKMTCJD-UHFFFAOYSA-N 1 0 256.680 2.805 50 0 CFAARO COc1ccc(F)cc1C[NH2+][C@@H](C)Cn1cc(C)cn1 ZINC000071872164 176284389 /nfs/dbraw/zinc/28/43/89/176284389.db2.gz XINFDUATDMHPAE-LBPRGKRZSA-N 1 0 277.343 2.518 50 0 CFAARO Cc1cnn(C[C@H]2CCC[N@H+]2[C@@H](C)c2cccnc2)c1 ZINC000071875933 176285707 /nfs/dbraw/zinc/28/57/07/176285707.db2.gz BUSJYNTVXAYMST-GOEBONIOSA-N 1 0 270.380 2.812 50 0 CFAARO CCS[C@H]1CCCC[N@H+](Cc2nccn2C)C1 ZINC000071899661 176293487 /nfs/dbraw/zinc/29/34/87/176293487.db2.gz RRJZJEGVYAVJIH-LBPRGKRZSA-N 1 0 253.415 2.528 50 0 CFAARO CCOCC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000071904340 176295112 /nfs/dbraw/zinc/29/51/12/176295112.db2.gz ZLZNCFTYFORDSD-HXUWFJFHSA-N 1 0 295.448 2.543 50 0 CFAARO Cc1nnc(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)o1 ZINC000071904658 176295525 /nfs/dbraw/zinc/29/55/25/176295525.db2.gz FNDSBJJHTSFBNP-HNNXBMFYSA-N 1 0 271.364 2.894 50 0 CFAARO CC(C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000072116018 176318778 /nfs/dbraw/zinc/31/87/78/176318778.db2.gz WCDXHRRXPXBCSL-UHFFFAOYSA-N 1 0 276.380 2.754 50 0 CFAARO CN(Cc1ccncc1)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000072127412 176320967 /nfs/dbraw/zinc/32/09/67/176320967.db2.gz DNNIDYUUZSBACY-GOSISDBHSA-N 1 0 281.403 2.570 50 0 CFAARO C[NH+]1CCC(N(Cc2ccco2)Cc2cccnc2)CC1 ZINC000072139107 176322565 /nfs/dbraw/zinc/32/25/65/176322565.db2.gz FBVKNGYMEFCAND-UHFFFAOYSA-N 1 0 285.391 2.771 50 0 CFAARO Cc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)o1 ZINC000072140175 176323638 /nfs/dbraw/zinc/32/36/38/176323638.db2.gz AMDNLMQJAWOJJE-UHFFFAOYSA-N 1 0 285.391 2.691 50 0 CFAARO COc1ccc(CC[NH3+])cc1-c1ccnc2c1ccn2C ZINC000072144624 176324489 /nfs/dbraw/zinc/32/44/89/176324489.db2.gz SGMYARZDYQDFRM-UHFFFAOYSA-N 1 0 281.359 2.750 50 0 CFAARO C[NH2+]CCOc1ccc(C)cc1-c1cc(N)nc2[nH]ccc21 ZINC000072149137 176326343 /nfs/dbraw/zinc/32/63/43/176326343.db2.gz SOOFDTHWCRVSQO-UHFFFAOYSA-N 1 0 296.374 2.719 50 0 CFAARO Cn1c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000072156289 176328390 /nfs/dbraw/zinc/32/83/90/176328390.db2.gz MAHPYLYZPJIVFH-OAHLLOKOSA-N 1 0 299.418 2.735 50 0 CFAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000072298372 176363872 /nfs/dbraw/zinc/36/38/72/176363872.db2.gz MUDDUHSGXICGLY-AWEZNQCLSA-N 1 0 299.374 2.799 50 0 CFAARO Cc1cc(Nc2ccccn2)cc(C2CC[NH2+]CC2)n1 ZINC000072343472 176371904 /nfs/dbraw/zinc/37/19/04/176371904.db2.gz FHVAPVHERBJISM-UHFFFAOYSA-N 1 0 268.364 2.996 50 0 CFAARO CCc1cc(NCCCC[NH+]2CCCC2)n2nccc2n1 ZINC000072478036 176407372 /nfs/dbraw/zinc/40/73/72/176407372.db2.gz KESMWHOKILUKGC-UHFFFAOYSA-N 1 0 287.411 2.580 50 0 CFAARO CCCO[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000076409191 177020000 /nfs/dbraw/zinc/02/00/00/177020000.db2.gz LTXRVSUEOPQQGI-HNNXBMFYSA-N 1 0 291.391 2.849 50 0 CFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CC=CC1 ZINC000076943020 177134106 /nfs/dbraw/zinc/13/41/06/177134106.db2.gz YKDTYOJEBVZJCY-UHFFFAOYSA-N 1 0 284.403 2.865 50 0 CFAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000077319242 177251875 /nfs/dbraw/zinc/25/18/75/177251875.db2.gz DIEQHCMZDRIAPJ-CYBMUJFWSA-N 1 0 289.404 2.577 50 0 CFAARO c1ccc2cc(N3CCN(C[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000077357749 177256816 /nfs/dbraw/zinc/25/68/16/177256816.db2.gz IQKZQPFNRGVYFP-MRXNPFEDSA-N 1 0 295.430 2.571 50 0 CFAARO Cn1ccc2c1nccc2-c1ccc(C[NH2+]CCCO)cc1 ZINC000077406464 177263794 /nfs/dbraw/zinc/26/37/94/177263794.db2.gz ZJOQYNCSOLKVMJ-UHFFFAOYSA-N 1 0 295.386 2.712 50 0 CFAARO CCC[N@@H+]1CCCN(c2cccc(F)c2C(C)=O)CC1 ZINC000078251329 177328337 /nfs/dbraw/zinc/32/83/37/177328337.db2.gz RVRIJMSVFGFERL-UHFFFAOYSA-N 1 0 278.371 2.950 50 0 CFAARO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC(C)(C)O ZINC000078489575 177346060 /nfs/dbraw/zinc/34/60/60/177346060.db2.gz VSMSGDHGZOKTAZ-UHFFFAOYSA-N 1 0 261.287 2.908 50 0 CFAARO OCc1cccc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000078553961 177353810 /nfs/dbraw/zinc/35/38/10/177353810.db2.gz MJVCDHNKZHHWEM-UHFFFAOYSA-N 1 0 263.287 2.747 50 0 CFAARO C[NH+]1CCC(CCNC(=O)/C=C/c2ccccc2)CC1 ZINC000078578686 177356225 /nfs/dbraw/zinc/35/62/25/177356225.db2.gz RUAHZLAOIJMRAD-BQYQJAHWSA-N 1 0 272.392 2.548 50 0 CFAARO NC(=O)C1([NH2+]Cc2cccc(Cl)c2)CCCCC1 ZINC000078661067 177367601 /nfs/dbraw/zinc/36/76/01/177367601.db2.gz MWPTWUNBGZNZJJ-UHFFFAOYSA-N 1 0 266.772 2.618 50 0 CFAARO Cc1oc(-c2ccccc2NC(=O)C2CCC2)nc1C[NH3+] ZINC000827469522 782036418 /nfs/dbraw/zinc/03/64/18/782036418.db2.gz AZXLXYAQRIUMQF-UHFFFAOYSA-N 1 0 285.347 2.847 50 0 CFAARO O=C(c1ccnc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195085376 270249941 /nfs/dbraw/zinc/24/99/41/270249941.db2.gz VDYMYOHNTOKGHV-CQSZACIVSA-N 1 0 295.386 2.545 50 0 CFAARO COC(=O)CC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000096026949 265326705 /nfs/dbraw/zinc/32/67/05/265326705.db2.gz CQPGGYVJKBIATJ-UHFFFAOYSA-N 1 0 261.365 2.999 50 0 CFAARO CC1(C(=O)NCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000827654735 782039562 /nfs/dbraw/zinc/03/95/62/782039562.db2.gz REBDBINYXWFCJU-MRXNPFEDSA-N 1 0 290.451 2.971 50 0 CFAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(C)ccc1F ZINC000040099193 273639796 /nfs/dbraw/zinc/63/97/96/273639796.db2.gz BRBWVPHTUVASDA-LBPRGKRZSA-N 1 0 281.375 2.986 50 0 CFAARO COc1ccc2c(c1)OC[C@H](Cc1c[nH+]c(N)cc1C)C2 ZINC000095520630 274130079 /nfs/dbraw/zinc/13/00/79/274130079.db2.gz SYGJCWADJUJQJQ-LBPRGKRZSA-N 1 0 284.359 2.775 50 0 CFAARO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000269227284 274772864 /nfs/dbraw/zinc/77/28/64/274772864.db2.gz RCDHHKUCHOHCOW-RDBSUJKOSA-N 1 0 288.391 2.626 50 0 CFAARO [NH2+]=C1N=C2Sc3ccccc3N2[C@@H](c2ccccc2)N1 ZINC000002353697 274943284 /nfs/dbraw/zinc/94/32/84/274943284.db2.gz ZTVHAYJMTVEMDG-ZDUSSCGKSA-N 1 0 280.356 2.982 50 0 CFAARO O=C1Nc2ccccc2NC12CC[NH+](C1CCCC1)CC2 ZINC000082138976 275026117 /nfs/dbraw/zinc/02/61/17/275026117.db2.gz RHNWXCGXOUFBPQ-UHFFFAOYSA-N 1 0 285.391 2.828 50 0 CFAARO Brc1ccc([C@H]2[NH2+]CCn3cccc32)cc1 ZINC000026423307 275370047 /nfs/dbraw/zinc/37/00/47/275370047.db2.gz FGWVVKIUKMWARH-CYBMUJFWSA-N 1 0 277.165 2.943 50 0 CFAARO CC[NH+](CC)C[C@@H](C)NCc1nc2cc(C)ccc2[nH]1 ZINC000067871635 276104909 /nfs/dbraw/zinc/10/49/09/276104909.db2.gz JHPSYOLRMPCJHF-CYBMUJFWSA-N 1 0 274.412 2.691 50 0 CFAARO CCOC(=O)[C@@H]1C[C@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000004343448 276289377 /nfs/dbraw/zinc/28/93/77/276289377.db2.gz XJCLMIPLNVXPDG-RBSFLKMASA-N 1 0 259.349 2.775 50 0 biogenic,in-vitro CFAARO CC[NH+](CC)C[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000044115823 276334230 /nfs/dbraw/zinc/33/42/30/276334230.db2.gz VVMOYFUZPLENQF-DQGBIZLVSA-N 1 0 251.414 2.906 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+]Cc1cnn(C)c1C)CCC2 ZINC000090888287 276692185 /nfs/dbraw/zinc/69/21/85/276692185.db2.gz VMYMSAAIGZZFTJ-GFCCVEGCSA-N 1 0 290.436 2.915 50 0 CFAARO C[NH2+]CC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@@H]1C ZINC000336117558 277020401 /nfs/dbraw/zinc/02/04/01/277020401.db2.gz PFCKWIPHTKKVKA-QMMMGPOBSA-N 1 0 287.190 2.659 50 0 CFAARO C[NH2+]CC(=O)N[C@@H](c1cccs1)C1CCCCC1 ZINC000071750898 277020815 /nfs/dbraw/zinc/02/08/15/277020815.db2.gz ANEWOQWNNHBEHF-CQSZACIVSA-N 1 0 266.410 2.705 50 0 CFAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(N)=O)s1 ZINC000023430056 277399425 /nfs/dbraw/zinc/39/94/25/277399425.db2.gz QKEOVADXGITEAC-JTQLQIEISA-N 1 0 252.383 2.640 50 0 CFAARO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000095983702 277777773 /nfs/dbraw/zinc/77/77/73/277777773.db2.gz IWGLJBJSJNEISR-RYUDHWBXSA-N 1 0 294.361 2.812 50 0 CFAARO CC(C)c1cncnc1-c1cc(F)cc2c1O[C@H](C[NH3+])C2 ZINC000067786201 278066824 /nfs/dbraw/zinc/06/68/24/278066824.db2.gz SROAKGQNEZKOAI-LBPRGKRZSA-N 1 0 287.338 2.668 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(F)c1 ZINC000090455768 278374689 /nfs/dbraw/zinc/37/46/89/278374689.db2.gz DGRQJPIXUXYDSN-QMTHXVAHSA-N 1 0 259.328 2.757 50 0 CFAARO CC(C)(C)OC(=O)N(CC[NH3+])C1CCCCCC1 ZINC000058040392 278377332 /nfs/dbraw/zinc/37/73/32/278377332.db2.gz XFRXVRQNXPSDOH-UHFFFAOYSA-N 1 0 256.390 2.905 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1C[NH3+] ZINC000070176386 278477479 /nfs/dbraw/zinc/47/74/79/278477479.db2.gz IKOZVBVKFOOADI-NOZJJQNGSA-N 1 0 284.762 2.679 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccco3)CC2)C1 ZINC000000239053 278499110 /nfs/dbraw/zinc/49/91/10/278499110.db2.gz VIVZJZMYIFYJPB-ZIAGYGMSSA-N 1 0 276.380 2.616 50 0 CFAARO C[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)[S@](C)=O ZINC000097033447 279349471 /nfs/dbraw/zinc/34/94/71/279349471.db2.gz XYRBNYANTRFYAO-MAZCYNQFSA-N 1 0 269.385 2.560 50 0 CFAARO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCCOC1 ZINC000345892685 279434466 /nfs/dbraw/zinc/43/44/66/279434466.db2.gz UPJSQRLYJCXTEF-INIZCTEOSA-N 1 0 296.455 2.526 50 0 CFAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000000757777 279570278 /nfs/dbraw/zinc/57/02/78/279570278.db2.gz AGBGGHRFDZPEFJ-TZMCWYRMSA-N 1 0 268.401 2.776 50 0 CFAARO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H](C)[NH3+] ZINC000236708801 279931245 /nfs/dbraw/zinc/93/12/45/279931245.db2.gz ATIKFGGYBGUORR-MFKMUULPSA-N 1 0 268.788 2.843 50 0 CFAARO Cc1c(-c2ccccc2)[n+](=O)c2c(n1O)CCCCC2 ZINC000103727971 280195625 /nfs/dbraw/zinc/19/56/25/280195625.db2.gz DSAHQERRBKPBHN-UHFFFAOYSA-N 1 0 271.340 2.884 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000195113624 280263103 /nfs/dbraw/zinc/26/31/03/280263103.db2.gz OYPLOYSHYXKIHH-NSHDSACASA-N 1 0 292.766 2.958 50 0 CFAARO Cc1cc(-c2cn(O)c3c([n+]2=O)CCCC3)ccc1F ZINC000334157779 280285067 /nfs/dbraw/zinc/28/50/67/280285067.db2.gz XBTGDNCQPXMKPP-UHFFFAOYSA-N 1 0 275.303 2.633 50 0 CFAARO Cc1cc(C(F)(F)F)cc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000067880952 280376211 /nfs/dbraw/zinc/37/62/11/280376211.db2.gz VDYUVMZWGXZARS-CQSZACIVSA-N 1 0 299.340 2.989 50 0 CFAARO c1cc2n(n1)C[C@H](C[NH2+]C1(c3ccccc3)CCC1)CN2 ZINC000058298903 280474360 /nfs/dbraw/zinc/47/43/60/280474360.db2.gz HVTSLMNPOHISAJ-AWEZNQCLSA-N 1 0 282.391 2.594 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@H]2CCOc3ccccc32)n1 ZINC000112716346 280920258 /nfs/dbraw/zinc/92/02/58/280920258.db2.gz PJQHNEIYMOZUFC-ZDUSSCGKSA-N 1 0 270.332 2.709 50 0 CFAARO CC[C@H]1C[N@H+](C)CC[C@]1(OC(C)=O)c1ccccc1 ZINC000005008139 288280473 /nfs/dbraw/zinc/28/04/73/288280473.db2.gz LOWQPSFXEWFNSB-GOEBONIOSA-N 1 0 261.365 2.807 50 0 CFAARO Cc1nc2ccccc2cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000156433357 282075229 /nfs/dbraw/zinc/07/52/29/282075229.db2.gz PUGJRUAHKRQRAK-SWLSCSKDSA-N 1 0 297.402 2.743 50 0 CFAARO C[C@H]1CCCC[C@@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000097108474 290399095 /nfs/dbraw/zinc/39/90/95/290399095.db2.gz ZFILPGGGRGTZSI-WIJYIZELSA-N 1 0 257.443 2.656 50 0 CFAARO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000086485799 295547656 /nfs/dbraw/zinc/54/76/56/295547656.db2.gz UOWXWZSHFCAWDR-ZIAGYGMSSA-N 1 0 273.442 2.655 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCc1cccc2cccnc21 ZINC000097159331 302480269 /nfs/dbraw/zinc/48/02/69/302480269.db2.gz AFAUCBNTPUMICT-UHFFFAOYSA-N 1 0 280.375 2.907 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)c2cccn2C2CC2)CCCC1 ZINC000534592062 328318440 /nfs/dbraw/zinc/31/84/40/328318440.db2.gz AHRMYRWNMVGZTN-UHFFFAOYSA-N 1 0 289.423 2.817 50 0 CFAARO Fc1cccc(-c2cc(C[NH2+]C3CCOCC3)on2)c1 ZINC000534642741 328329111 /nfs/dbraw/zinc/32/91/11/328329111.db2.gz CJIHRLJVPNCYKZ-UHFFFAOYSA-N 1 0 276.311 2.749 50 0 CFAARO CCN(Cc1ccc(C)o1)C(=O)NCC(C)(C)[N@H+](C)CC ZINC000534646501 328329564 /nfs/dbraw/zinc/32/95/64/328329564.db2.gz KOUGJZXZPJLRDN-UHFFFAOYSA-N 1 0 295.427 2.850 50 0 CFAARO C[C@@H]([NH2+]C1CCN(C(=O)C2CCC2)CC1)c1cccnc1 ZINC000534632909 328331982 /nfs/dbraw/zinc/33/19/82/328331982.db2.gz MGSMSOQWOALAKM-CYBMUJFWSA-N 1 0 287.407 2.523 50 0 CFAARO O=C(C1CCCC1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000534634218 328332967 /nfs/dbraw/zinc/33/29/67/328332967.db2.gz RXSUESSUKIAEMN-HNNXBMFYSA-N 1 0 296.480 2.653 50 0 CFAARO C[C@H](CCO)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 ZINC000534637040 328334311 /nfs/dbraw/zinc/33/43/11/328334311.db2.gz DXDZGIRVDVTOHY-LLVKDONJSA-N 1 0 276.380 2.986 50 0 CFAARO C[C@@H]1Cc2cc(C[NH2+]C3CSCCSC3)ccc2O1 ZINC000534650124 328336800 /nfs/dbraw/zinc/33/68/00/328336800.db2.gz LSPHXFCJBBRNNJ-LLVKDONJSA-N 1 0 295.473 2.948 50 0 CFAARO c1ccc(OCC2(C[NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000534674686 328350681 /nfs/dbraw/zinc/35/06/81/328350681.db2.gz VORHYGJGDYOFNB-AWEZNQCLSA-N 1 0 261.365 2.614 50 0 CFAARO CC(=O)N1CCC(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000097098887 323617879 /nfs/dbraw/zinc/61/78/79/323617879.db2.gz RCCNBDISHOJNAW-RHSMWYFYSA-N 1 0 278.440 2.827 50 0 CFAARO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CC[NH3+] ZINC000097228766 323618868 /nfs/dbraw/zinc/61/88/68/323618868.db2.gz JVNSVKFGHVERDK-AWEZNQCLSA-N 1 0 268.788 2.844 50 0 CFAARO CC(C)n1ccnc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000119832715 323620794 /nfs/dbraw/zinc/62/07/94/323620794.db2.gz ZTLNYNZKKOSBEE-LBPRGKRZSA-N 1 0 265.401 2.900 50 0 CFAARO C[C@@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000195542774 324108400 /nfs/dbraw/zinc/10/84/00/324108400.db2.gz SHXLOQGNHKKRKD-ZBFHGGJFSA-N 1 0 289.423 2.504 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000195577399 324109119 /nfs/dbraw/zinc/10/91/19/324109119.db2.gz BOSTUVDLPYWVAS-IVZWLZJFSA-N 1 0 271.348 2.564 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]CCc1nc(C)cs1 ZINC000063132587 328448445 /nfs/dbraw/zinc/44/84/45/328448445.db2.gz RTHPPZSKFZJBCB-JTQLQIEISA-N 1 0 256.415 2.787 50 0 CFAARO C[NH+](C)Cc1ccc(C(=O)Nc2c(O)cccc2F)cc1 ZINC000096436590 329526351 /nfs/dbraw/zinc/52/63/51/329526351.db2.gz BLGVWVPLTBWWIP-UHFFFAOYSA-N 1 0 288.322 2.845 50 0 CFAARO Cc1ccc(CCC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000269257327 330068117 /nfs/dbraw/zinc/06/81/17/330068117.db2.gz IDDCXNKSVXITBB-NVXWUHKLSA-N 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TUUMERWAXPHPQZ-HOTGVXAUSA-N 1 0 254.333 2.701 50 0 CFAARO CC1(C[NH2+]C2CC(c3cccc(F)c3)C2)OCCCO1 ZINC000276837856 520731719 /nfs/dbraw/zinc/73/17/19/520731719.db2.gz BWRSCYRWCMWFLT-UHFFFAOYSA-N 1 0 279.355 2.814 50 0 CFAARO Clc1cccnc1N1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000096462947 534656376 /nfs/dbraw/zinc/65/63/76/534656376.db2.gz IVQZBFLIXQVALJ-LBPRGKRZSA-N 1 0 297.855 2.799 50 0 CFAARO CN(Cc1cccc2ccccc21)c1cc(CC[NH3+])ncn1 ZINC000067981980 523320499 /nfs/dbraw/zinc/32/04/99/523320499.db2.gz VOCRLCIYQLAROL-UHFFFAOYSA-N 1 0 292.386 2.767 50 0 CFAARO CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000179048721 523920921 /nfs/dbraw/zinc/92/09/21/523920921.db2.gz LMHODLXVISKUSA-ZETCQYMHSA-N 1 0 291.153 2.566 50 0 CFAARO Cc1ncc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(C)n1 ZINC000096476346 534750134 /nfs/dbraw/zinc/75/01/34/534750134.db2.gz HJPZDZUFSZDIJC-RISCZKNCSA-N 1 0 299.374 2.584 50 0 CFAARO C[C@@H](CC[N@@H+]1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000193766842 524487800 /nfs/dbraw/zinc/48/78/00/524487800.db2.gz TZSPGXPYHXCEHE-WMZOPIPTSA-N 1 0 288.435 2.587 50 0 CFAARO Cc1ccccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000110083787 534813025 /nfs/dbraw/zinc/81/30/25/534813025.db2.gz UDRZXWKWDYPTQT-UHFFFAOYSA-N 1 0 261.365 2.580 50 0 CFAARO Cc1nc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)n(C)n1 ZINC000426552424 534862020 /nfs/dbraw/zinc/86/20/20/534862020.db2.gz YRGRIMILFJEIJV-LBPRGKRZSA-N 1 0 270.380 2.947 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)nc2ccccc12 ZINC000156201038 526250585 /nfs/dbraw/zinc/25/05/85/526250585.db2.gz QDJLOBMFQUIMSM-KBPBESRZSA-N 1 0 297.402 2.743 50 0 CFAARO Cc1noc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000336463710 526613823 /nfs/dbraw/zinc/61/38/23/526613823.db2.gz JBILWHOPXMCPMC-CQSZACIVSA-N 1 0 257.337 2.758 50 0 CFAARO Brc1ccc(C2([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000096494491 526638907 /nfs/dbraw/zinc/63/89/07/526638907.db2.gz LWZRBWDPRYMZOI-LBPRGKRZSA-N 1 0 282.181 2.817 50 0 CFAARO Clc1ccsc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000336379895 526994014 /nfs/dbraw/zinc/99/40/14/526994014.db2.gz TUUUEEPTZLBKHM-SECBINFHSA-N 1 0 282.800 2.899 50 0 CFAARO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1cccnc1 ZINC000096492929 527342040 /nfs/dbraw/zinc/34/20/40/527342040.db2.gz TUUGSQHLDLETPW-UHFFFAOYSA-N 1 0 270.376 2.855 50 0 CFAARO OCC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000161587071 527565520 /nfs/dbraw/zinc/56/55/20/527565520.db2.gz HSMUVKQKFIACGY-LBPRGKRZSA-N 1 0 284.197 2.653 50 0 CFAARO OC[C@@]1([NH2+]Cc2ccsc2)CCc2ccccc21 ZINC000305125123 527603322 /nfs/dbraw/zinc/60/33/22/527603322.db2.gz CPNUPIUHTXKSTM-HNNXBMFYSA-N 1 0 259.374 2.672 50 0 CFAARO CCS[C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000096451434 529230614 /nfs/dbraw/zinc/23/06/14/529230614.db2.gz RZVCHSSRZLYOAZ-STQMWFEESA-N 1 0 272.458 2.507 50 0 CFAARO CC[C@@H](C(=O)NCc1cccc(Cl)c1C)[N@H+](C)CC ZINC000952965170 615382020 /nfs/dbraw/zinc/38/20/20/615382020.db2.gz FSWJUFUJNMVAMX-AWEZNQCLSA-N 1 0 282.815 2.995 50 0 CFAARO CC[C@@H]1C=CC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000952988750 615551232 /nfs/dbraw/zinc/55/12/32/615551232.db2.gz OVPAUSZRRQBGQG-OAHLLOKOSA-N 1 0 268.360 2.689 50 0 CFAARO CC[C@H](C(=O)N1CCC2(CCCC2)C1)[N@H+](C)CC ZINC000952976358 615600775 /nfs/dbraw/zinc/60/07/75/615600775.db2.gz KEEFWWQVCNKIKP-CYBMUJFWSA-N 1 0 252.402 2.509 50 0 CFAARO COCC1(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CCC1 ZINC000952976068 616774455 /nfs/dbraw/zinc/77/44/55/616774455.db2.gz UVNHTOXCADWJLO-UHFFFAOYSA-N 1 0 299.317 2.914 50 0 CFAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccncc2)CC1 ZINC000022146153 617994463 /nfs/dbraw/zinc/99/44/63/617994463.db2.gz YQKCXKYTYWMMKM-DOTOQJQBSA-N 1 0 273.424 2.778 50 0 CFAARO CC(=O)NC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000092669396 618947651 /nfs/dbraw/zinc/94/76/51/618947651.db2.gz BRLDRILLNNPXHM-UHFFFAOYSA-N 1 0 272.348 2.533 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CC[C@@H](c2ccnn2C)C1 ZINC000888094232 619130255 /nfs/dbraw/zinc/13/02/55/619130255.db2.gz XOEMZAREGJRMNE-VXGBXAGGSA-N 1 0 276.409 2.611 50 0 CFAARO Cc1cc(F)c(C(=O)N2[C@H](C)CC(C[NH3+])C[C@H]2C)cc1F ZINC000888095685 619131047 /nfs/dbraw/zinc/13/10/47/619131047.db2.gz BNFNPRHBSGNQIO-GHMZBOCLSA-N 1 0 296.361 2.861 50 0 CFAARO O=C1C[C@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098638 619132385 /nfs/dbraw/zinc/13/23/85/619132385.db2.gz MDXQXBPORFBZQZ-HZPDHXFCSA-N 1 0 272.392 2.786 50 0 CFAARO c1oc2ccccc2c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261787865 619267769 /nfs/dbraw/zinc/26/77/69/619267769.db2.gz KPLAGRPFMJSSMM-KRWDZBQOSA-N 1 0 293.370 2.974 50 0 CFAARO c1ccc(N[C@@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000012434510 626405656 /nfs/dbraw/zinc/40/56/56/626405656.db2.gz MQUVXBLAQRQFEE-OAHLLOKOSA-N 1 0 260.381 2.742 50 0 CFAARO C[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757211138 630882915 /nfs/dbraw/zinc/88/29/15/630882915.db2.gz JOHIBZFLEHXBNV-KNZXXDILSA-N 1 0 264.335 2.551 50 0 CFAARO C[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090970 637872278 /nfs/dbraw/zinc/87/22/78/637872278.db2.gz HMXSKMMREFBLMP-TZMCWYRMSA-N 1 0 275.396 2.821 50 0 CFAARO COc1cccc(C[NH2+][C@H]2COc3ccccc3C2)c1F ZINC000192675060 650584335 /nfs/dbraw/zinc/58/43/35/650584335.db2.gz OMASETVCEJCKKL-CQSZACIVSA-N 1 0 287.334 2.928 50 0 CFAARO C[C@@H](NC/C=C/c1ccccc1)c1nnc2n1CCCC2 ZINC000084667982 650777520 /nfs/dbraw/zinc/77/75/20/650777520.db2.gz RKNUAASGELULOF-DNGMOHDESA-N 1 0 282.391 2.978 50 0 CFAARO Cc1cc(N2CCC[C@@H](CNC(=O)c3ccoc3)C2)cc[nH+]1 ZINC000952967366 650789991 /nfs/dbraw/zinc/78/99/91/650789991.db2.gz KKWDDNYVUFWDEG-AWEZNQCLSA-N 1 0 299.374 2.629 50 0 CFAARO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000887268678 647256046 /nfs/dbraw/zinc/25/60/46/647256046.db2.gz RJMTUFHKGKGAFG-YVSFHVDLSA-N 1 0 290.451 2.898 50 0 CFAARO CC(C)=CCC[C@@H](C)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000000216997 651101238 /nfs/dbraw/zinc/10/12/38/651101238.db2.gz HOQCKIUZQZMDSN-KGLIPLIRSA-N 1 0 252.402 2.566 50 0 CFAARO Cc1[nH]nc(NC2CC[NH+](Cc3ccco3)CC2)c1C ZINC000019144315 651288066 /nfs/dbraw/zinc/28/80/66/651288066.db2.gz CJZOTWQZJSXPNZ-UHFFFAOYSA-N 1 0 274.368 2.696 50 0 CFAARO C[C@H]1CC[C@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019608779 651291979 /nfs/dbraw/zinc/29/19/79/651291979.db2.gz NCKWDNWFEUMYFJ-RDJZCZTQSA-N 1 0 258.409 2.993 50 0 CFAARO CC[NH+]1CCN(c2cc(C)c3cc(F)ccc3n2)CC1 ZINC000023634580 775531145 /nfs/dbraw/zinc/53/11/45/775531145.db2.gz YKEAIQYADKOLES-UHFFFAOYSA-N 1 0 273.355 2.824 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2(C)CC2)c(C)c1 ZINC000032577537 779064784 /nfs/dbraw/zinc/06/47/84/779064784.db2.gz DJEBNHZETASRGO-GJZGRUSLSA-N 1 0 277.408 2.821 50 0 CFAARO COC(C)(C)CCC[C@H](C)CC[NH2+]C[C@@H]1COCCO1 ZINC000032593126 779073382 /nfs/dbraw/zinc/07/33/82/779073382.db2.gz LAWRPDCZPOXVBA-LSDHHAIUSA-N 1 0 287.444 2.613 50 0 CFAARO CC[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)CC ZINC000822555778 781903132 /nfs/dbraw/zinc/90/31/32/781903132.db2.gz LAVUEWBQYNZUSW-CYBMUJFWSA-N 1 0 268.788 2.687 50 0 CFAARO C[C@](O)(C[NH2+][C@H]1CCc2ccccc2C1)c1ccco1 ZINC000096478476 230379994 /nfs/dbraw/zinc/37/99/94/230379994.db2.gz FXNGIJUYEQBCHK-RDJZCZTQSA-N 1 0 271.360 2.634 50 0 CFAARO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@@H](C)c1ccccc1 ZINC000096479031 230380046 /nfs/dbraw/zinc/38/00/46/230380046.db2.gz LJCGFAIPDKYZIO-OLZOCXBDSA-N 1 0 283.437 2.591 50 0 CFAARO c1cc(N[C@@H]2CCOC2)cc(OCC[NH+]2CCCCC2)c1 ZINC000096482874 230380536 /nfs/dbraw/zinc/38/05/36/230380536.db2.gz UCHWMUOHHOSOKN-MRXNPFEDSA-N 1 0 290.407 2.752 50 0 CFAARO COc1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082133854 177923517 /nfs/dbraw/zinc/92/35/17/177923517.db2.gz DQFNMTJMDUTZFN-HNNXBMFYSA-N 1 0 291.391 2.513 50 0 CFAARO COc1cc(NC(=O)NCC[C@@H]2CCC[N@@H+]2C)ccc1C ZINC000095504263 185000554 /nfs/dbraw/zinc/00/05/54/185000554.db2.gz HWRPBXMTHVRAQM-AWEZNQCLSA-N 1 0 291.395 2.609 50 0 CFAARO CSCc1cccc(C[NH2+]Cc2ccnn2C)c1 ZINC000189477601 230396079 /nfs/dbraw/zinc/39/60/79/230396079.db2.gz OPJNABYLFYAGIK-UHFFFAOYSA-N 1 0 261.394 2.573 50 0 CFAARO [NH3+][C@H]1CCCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426712017 230427496 /nfs/dbraw/zinc/42/74/96/230427496.db2.gz JFBAWBIUYAAAKI-JTQLQIEISA-N 1 0 263.772 2.744 50 0 CFAARO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(Cl)nc1 ZINC000095940600 185035920 /nfs/dbraw/zinc/03/59/20/185035920.db2.gz HEIKUNKRKXPBAI-JTQLQIEISA-N 1 0 270.760 2.539 50 0 CFAARO CC(C)(O)CSCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000095968101 185046162 /nfs/dbraw/zinc/04/61/62/185046162.db2.gz GTHCHBMICPJPSS-OAHLLOKOSA-N 1 0 279.449 2.638 50 0 CFAARO C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)C[NH3+])C1CC1 ZINC000095971060 185048551 /nfs/dbraw/zinc/04/85/51/185048551.db2.gz ANKDDOJPIPLTHV-VIFPVBQESA-N 1 0 286.297 2.716 50 0 CFAARO C[C@@H]1C[NH+](CCCCNc2ncccc2F)C[C@@H](C)O1 ZINC000095970990 185048703 /nfs/dbraw/zinc/04/87/03/185048703.db2.gz WWUUVYCUZGGXRC-CHWSQXEVSA-N 1 0 281.375 2.522 50 0 CFAARO CC(C)n1cc2cc(NC(=O)C3([NH3+])CCCC3)ccc2n1 ZINC000095971128 185048801 /nfs/dbraw/zinc/04/88/01/185048801.db2.gz WDHHSPKDXHLBLM-UHFFFAOYSA-N 1 0 286.379 2.827 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCCO1)CC2 ZINC000095973396 185049261 /nfs/dbraw/zinc/04/92/61/185049261.db2.gz VNJAGSNRPJBAFT-JKSUJKDBSA-N 1 0 275.392 2.711 50 0 CFAARO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCNC1=O ZINC000095978651 185051924 /nfs/dbraw/zinc/05/19/24/185051924.db2.gz MSFGSTNZMSWQBC-LBPRGKRZSA-N 1 0 287.190 2.704 50 0 CFAARO CC(C)=CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000095984805 185054756 /nfs/dbraw/zinc/05/47/56/185054756.db2.gz OCTRSWPDIYGNRY-ZDUSSCGKSA-N 1 0 296.436 2.554 50 0 CFAARO OCC[C@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCOC1 ZINC000095985084 185055058 /nfs/dbraw/zinc/05/50/58/185055058.db2.gz KSWAKXQHLFUHKX-IAGOWNOFSA-N 1 0 293.382 2.582 50 0 CFAARO CC(=O)Nc1cccc(CC[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000095992880 185058904 /nfs/dbraw/zinc/05/89/04/185058904.db2.gz ZGURFUVZRUHDAO-BETUJISGSA-N 1 0 260.381 2.775 50 0 CFAARO CN(C)c1cc[nH+]c(NC(=O)CCc2cccs2)c1 ZINC000096010797 185065146 /nfs/dbraw/zinc/06/51/46/185065146.db2.gz OJLDBLHZRQVJGL-UHFFFAOYSA-N 1 0 275.377 2.780 50 0 CFAARO Fc1ccc(Cc2cnc([C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000096032174 185067262 /nfs/dbraw/zinc/06/72/62/185067262.db2.gz MQMPCDCSFVMEFM-GFCCVEGCSA-N 1 0 260.312 2.872 50 0 CFAARO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000269227987 190479497 /nfs/dbraw/zinc/47/94/97/190479497.db2.gz ROIWZJVOVMDVGL-NFFDBFGFSA-N 1 0 290.382 2.863 50 0 CFAARO C[C@]1(O)CC[N@H+](Cc2ccc(C3CCCC3)s2)C[C@@H]1O ZINC000096139731 185105772 /nfs/dbraw/zinc/10/57/72/185105772.db2.gz KNLIKMDLAQWNJA-HOTGVXAUSA-N 1 0 295.448 2.723 50 0 CFAARO CC[N@H+](C)C1(CNc2nc(C)cnc2C)CCCC1 ZINC000823067748 781919652 /nfs/dbraw/zinc/91/96/52/781919652.db2.gz BZCVPWPJCFXLKI-UHFFFAOYSA-N 1 0 262.401 2.770 50 0 CFAARO CC[C@@](C)([NH2+]CCNC(=O)OC(C)(C)C)c1nccs1 ZINC000097002596 185150548 /nfs/dbraw/zinc/15/05/48/185150548.db2.gz XROMSTCNSMEQPF-CQSZACIVSA-N 1 0 299.440 2.883 50 0 CFAARO CCOc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000097034449 185157350 /nfs/dbraw/zinc/15/73/50/185157350.db2.gz WVKSCYXCZIRZBU-BMFZPTHFSA-N 1 0 275.392 2.988 50 0 CFAARO Cc1ccc([C@H]2CSCC[N@@H+]2CCCn2ccnc2)o1 ZINC000097034126 185157831 /nfs/dbraw/zinc/15/78/31/185157831.db2.gz YEGPGZFQWOVIRU-CQSZACIVSA-N 1 0 291.420 2.965 50 0 CFAARO Cc1nccn1CC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000289029503 282208301 /nfs/dbraw/zinc/20/83/01/282208301.db2.gz OPPMPKZZFXTUES-UHFFFAOYSA-N 1 0 285.391 2.865 50 0 CFAARO C[NH+](C)CCCCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000072294749 346925528 /nfs/dbraw/zinc/92/55/28/346925528.db2.gz QDZBPXWNOSLFAU-ZDUSSCGKSA-N 1 0 295.452 2.929 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000065502693 282268411 /nfs/dbraw/zinc/26/84/11/282268411.db2.gz ZBSCJJXPVCZVFQ-KRWDZBQOSA-N 1 0 298.434 2.880 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)cc1 ZINC000096441612 529937395 /nfs/dbraw/zinc/93/73/95/529937395.db2.gz FKLLEGKOBGXBKF-CABCVRRESA-N 1 0 292.448 2.762 50 0 CFAARO C[C@@H]([NH3+])CCc1ccc(I)cc1 ZINC000083849873 178753622 /nfs/dbraw/zinc/75/36/22/178753622.db2.gz LHYSUCZCJVTCKF-MRVPVSSYSA-N 1 0 275.133 2.571 50 0 CFAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cnc(C2CC2)s1 ZINC000075583837 347085892 /nfs/dbraw/zinc/08/58/92/347085892.db2.gz WDWKWMQEYWHYLJ-LBPRGKRZSA-N 1 0 295.452 2.727 50 0 CFAARO Cc1nnc(C[NH2+][C@@H](Cc2ccc(F)cc2)C(C)C)o1 ZINC000097049023 185515317 /nfs/dbraw/zinc/51/53/17/185515317.db2.gz WYCMJJWZCXWERV-AWEZNQCLSA-N 1 0 277.343 2.874 50 0 CFAARO CCOc1cccc(NC(=O)O[C@H]2C[NH+]3CCC2CC3)c1 ZINC000000354435 346204693 /nfs/dbraw/zinc/20/46/93/346204693.db2.gz KKKICVCVTLISKB-HNNXBMFYSA-N 1 0 290.363 2.728 50 0 CFAARO OCC[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002931805 346207251 /nfs/dbraw/zinc/20/72/51/346207251.db2.gz BLHUSQRAAPQHHN-UHFFFAOYSA-N 1 0 298.597 2.998 50 0 CFAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078345 346247438 /nfs/dbraw/zinc/24/74/38/346247438.db2.gz DTUDASASKRVRRY-ZYHUDNBSSA-N 1 0 299.212 2.711 50 0 CFAARO c1ccc2c(c1)nc([C@H]1CCCO1)n2C1CC[NH2+]CC1 ZINC000036301092 346322675 /nfs/dbraw/zinc/32/26/75/346322675.db2.gz GQIXYGRTFFYAQV-OAHLLOKOSA-N 1 0 271.364 2.812 50 0 CFAARO c1csc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000039348995 346343334 /nfs/dbraw/zinc/34/33/34/346343334.db2.gz HKCIJFJXKPDDOG-GJZGRUSLSA-N 1 0 285.416 2.711 50 0 CFAARO C[NH2+]C[C@H](C)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000048533357 346474728 /nfs/dbraw/zinc/47/47/28/346474728.db2.gz AONRUTIUKXIKAZ-MAUKXSAKSA-N 1 0 269.388 2.972 50 0 CFAARO [NH3+]C[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)CC1 ZINC000100005389 185701095 /nfs/dbraw/zinc/70/10/95/185701095.db2.gz LLEKTCWYUQUZGM-OKILXGFUSA-N 1 0 276.380 2.678 50 0 CFAARO O=C(N[C@H]1CCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066176414 346749269 /nfs/dbraw/zinc/74/92/69/346749269.db2.gz UTZGPSBONYRDNX-WBVHZDCISA-N 1 0 299.418 2.554 50 0 CFAARO COCC[C@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000079072717 347288016 /nfs/dbraw/zinc/28/80/16/347288016.db2.gz KHLQHOPMWPBJIP-NSHDSACASA-N 1 0 284.787 2.635 50 0 CFAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000078898346 347278735 /nfs/dbraw/zinc/27/87/35/347278735.db2.gz XLQAJTVLLVXTMR-LRDDRELGSA-N 1 0 290.382 2.562 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)[C@H](C)C1 ZINC000089570299 347521990 /nfs/dbraw/zinc/52/19/90/347521990.db2.gz GLDCHFXFIMLFFE-CRAIPNDOSA-N 1 0 288.435 2.958 50 0 CFAARO Cn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccc(Cl)o2)cn1 ZINC000089755306 347527345 /nfs/dbraw/zinc/52/73/45/347527345.db2.gz NZCCUSQVWCTTST-QMTHXVAHSA-N 1 0 295.770 2.534 50 0 CFAARO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000093613463 347681004 /nfs/dbraw/zinc/68/10/04/347681004.db2.gz VMPAYBWKKNSWLH-HUUCEWRRSA-N 1 0 295.448 2.808 50 0 CFAARO O=C(NC1CC1)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095434023 347698538 /nfs/dbraw/zinc/69/85/38/347698538.db2.gz ZHQPKEDKFNJVMT-SQWLQELKSA-N 1 0 276.424 2.770 50 0 CFAARO O=C1c2ccccc2OC[C@H]1C[NH2+]Cc1ccccc1 ZINC000096027098 347700408 /nfs/dbraw/zinc/70/04/08/347700408.db2.gz UCOXBLFDCQXGFN-CQSZACIVSA-N 1 0 267.328 2.668 50 0 CFAARO CCCC[NH2+]C[C@@H]1COc2c(C)cc(C)cc2C1=O ZINC000096026803 347700667 /nfs/dbraw/zinc/70/06/67/347700667.db2.gz TVNYZCYJKGKFEQ-CYBMUJFWSA-N 1 0 261.365 2.884 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(CO)c2)C1(C)C ZINC000097231009 347707700 /nfs/dbraw/zinc/70/77/00/347707700.db2.gz AHNPMQOLVBUVLY-HUUCEWRRSA-N 1 0 281.371 2.611 50 0 CFAARO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccncc1 ZINC000097230502 347707953 /nfs/dbraw/zinc/70/79/53/347707953.db2.gz MLRHPNGULYVWEX-RDTXWAMCSA-N 1 0 282.387 2.956 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2[C@H](C)c2cccnc2)n1 ZINC000106908034 347733455 /nfs/dbraw/zinc/73/34/55/347733455.db2.gz ADJDLQBEQVLNMY-WBMJQRKESA-N 1 0 285.395 2.516 50 0 CFAARO C/C(=C/C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1F ZINC000328596416 201950458 /nfs/dbraw/zinc/95/04/58/201950458.db2.gz NVMXPXCIVUVHSJ-XQPOUDKPSA-N 1 0 290.382 2.815 50 0 CFAARO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)C2 ZINC000136386951 347909756 /nfs/dbraw/zinc/90/97/56/347909756.db2.gz BTHDWDVURAJBNZ-BBRMVZONSA-N 1 0 299.418 2.823 50 0 CFAARO C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000155241234 347985574 /nfs/dbraw/zinc/98/55/74/347985574.db2.gz MUNGMBFBZHIUFL-HOCLYGCPSA-N 1 0 297.439 2.857 50 0 CFAARO COc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)ccc1O ZINC000194975003 348145313 /nfs/dbraw/zinc/14/53/13/348145313.db2.gz YVKCVJXREGYMHJ-GHMZBOCLSA-N 1 0 267.394 2.727 50 0 CFAARO COc1ccc([C@H]2C[C@H](C)C[N@@H+]2CCC2OCCO2)cc1 ZINC000195565961 348146853 /nfs/dbraw/zinc/14/68/53/348146853.db2.gz GMNKJOBJMRGVCS-XJKSGUPXSA-N 1 0 291.391 2.841 50 0 CFAARO COC(=O)[C@H]1CCCCC[C@@H]1[NH2+]Cc1nc(C)cs1 ZINC000195568778 348146889 /nfs/dbraw/zinc/14/68/89/348146889.db2.gz NOPBGMLVGPHIET-RYUDHWBXSA-N 1 0 282.409 2.663 50 0 CFAARO OC[C@@H]([NH2+]CCO[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000225531675 348178786 /nfs/dbraw/zinc/17/87/86/348178786.db2.gz IFPXGUMNGVUYPA-CABCVRRESA-N 1 0 299.798 2.506 50 0 CFAARO Clc1cccc(C[n+]2cnn(Cc3ccccc3)c2)c1 ZINC000230518986 348206712 /nfs/dbraw/zinc/20/67/12/348206712.db2.gz XTZIGUMLUSPTIG-UHFFFAOYSA-N 1 0 284.770 2.921 50 0 CFAARO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)C1 ZINC000245339382 348252168 /nfs/dbraw/zinc/25/21/68/348252168.db2.gz SJWDMGQGTMSJTA-OMNBBPDLSA-N 1 0 294.414 2.566 50 0 CFAARO C[C@@H](C(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1)C(C)(C)C ZINC000725264712 539621723 /nfs/dbraw/zinc/62/17/23/539621723.db2.gz MBUKSRMQJFTQMP-JTQLQIEISA-N 1 0 294.361 2.798 50 0 CFAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCN(C(=O)C2CC2)C1 ZINC000409421031 348600610 /nfs/dbraw/zinc/60/06/10/348600610.db2.gz ZMIZLZVUYUBTNK-ZDUSSCGKSA-N 1 0 287.407 2.718 50 0 CFAARO CCc1csc(CC[NH2+]C2CSCCSC2)n1 ZINC000584884187 348726417 /nfs/dbraw/zinc/72/64/17/348726417.db2.gz KRCOOTRRQKQQNJ-UHFFFAOYSA-N 1 0 288.507 2.686 50 0 CFAARO c1ccc2c(c1)CC[C@H]([NH2+]CCc1noc(C3CC3)n1)C2 ZINC000584889698 348728485 /nfs/dbraw/zinc/72/84/85/348728485.db2.gz KXAHQDOGXNMYBJ-HNNXBMFYSA-N 1 0 283.375 2.637 50 0 CFAARO COc1ccc(C2(C[NH2+][C@@H]3CCOC3)CCCC2)cc1 ZINC000584894525 348730055 /nfs/dbraw/zinc/73/00/55/348730055.db2.gz KUDYCRJZJXEOGF-OAHLLOKOSA-N 1 0 275.392 2.886 50 0 CFAARO C[C@H](COc1ccccc1)[NH2+]CCC1(O)CCCC1 ZINC000584901691 348733141 /nfs/dbraw/zinc/73/31/41/348733141.db2.gz XDTUYMSDUYMMFH-CQSZACIVSA-N 1 0 263.381 2.739 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H](c1ccccc1)N(C)C ZINC000585140471 348737382 /nfs/dbraw/zinc/73/73/82/348737382.db2.gz FQNNRIRYQWMOHE-GUYCJALGSA-N 1 0 285.391 2.568 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1nc(C)no1 ZINC000089517981 179808449 /nfs/dbraw/zinc/80/84/49/179808449.db2.gz FQWSZDZUFUIBOA-OAHLLOKOSA-N 1 0 287.363 2.596 50 0 CFAARO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000090663965 180020273 /nfs/dbraw/zinc/02/02/73/180020273.db2.gz LHNVATVPDMROGV-AWEZNQCLSA-N 1 0 297.402 2.705 50 0 CFAARO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000090454498 179987511 /nfs/dbraw/zinc/98/75/11/179987511.db2.gz IIGYYSXJRBUBAI-MEDUHNTESA-N 1 0 298.390 2.576 50 0 CFAARO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc2ccccc21 ZINC000090848556 180045475 /nfs/dbraw/zinc/04/54/75/180045475.db2.gz JMXSMOZLJJTOBQ-DYVFJYSZSA-N 1 0 271.360 2.642 50 0 CFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000091270152 180117765 /nfs/dbraw/zinc/11/77/65/180117765.db2.gz AGSKZTIZWLANHW-AWEZNQCLSA-N 1 0 299.418 2.869 50 0 CFAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC000091426777 180152009 /nfs/dbraw/zinc/15/20/09/180152009.db2.gz STLMIMBWGQHRDQ-KRWDZBQOSA-N 1 0 289.423 2.716 50 0 CFAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091547406 180187656 /nfs/dbraw/zinc/18/76/56/180187656.db2.gz PZBZUIKGUJWUQW-FOGDFJRCSA-N 1 0 282.334 2.612 50 0 CFAARO c1cc(NCC2([NH+]3CCCCC3)CCCC2)ncn1 ZINC000091551900 180189822 /nfs/dbraw/zinc/18/98/22/180189822.db2.gz DUYXQQAABLSVDP-UHFFFAOYSA-N 1 0 260.385 2.687 50 0 CFAARO CC[C@H](Nc1cc(C)[nH+]c(N)n1)c1cc(C)ccn1 ZINC000091649718 180216181 /nfs/dbraw/zinc/21/61/81/180216181.db2.gz POKVLZRRSDSYBF-NSHDSACASA-N 1 0 257.341 2.634 50 0 CFAARO Cc1ccccc1-c1cc(O)c2c(c1)C[NH2+]CCO2 ZINC000091713463 180231318 /nfs/dbraw/zinc/23/13/18/180231318.db2.gz LNQLYWHIYSTBKI-UHFFFAOYSA-N 1 0 255.317 2.850 50 0 CFAARO COCc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091855959 180274774 /nfs/dbraw/zinc/27/47/74/180274774.db2.gz BYCWYPMBQKYTDI-HOTGVXAUSA-N 1 0 293.432 2.539 50 0 CFAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)s1)C2 ZINC000091819380 180263347 /nfs/dbraw/zinc/26/33/47/180263347.db2.gz HZASIXCLHFQGFE-NXEZZACHSA-N 1 0 284.812 2.568 50 0 CFAARO c1cc(NCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ncn1 ZINC000091964531 180293585 /nfs/dbraw/zinc/29/35/85/180293585.db2.gz BQEPMYIXGXAUNL-UONOGXRCSA-N 1 0 260.385 2.543 50 0 CFAARO OCc1ccc(C[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000091907927 180283906 /nfs/dbraw/zinc/28/39/06/180283906.db2.gz ONFSSVQQZCGAPW-MRXNPFEDSA-N 1 0 259.393 2.986 50 0 CFAARO Cc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)o1 ZINC000092055945 180313860 /nfs/dbraw/zinc/31/38/60/180313860.db2.gz VZPRTYINYUFFGW-UHFFFAOYSA-N 1 0 290.407 2.813 50 0 CFAARO CCC[C@H]1CN(C(=O)Cc2ccc(F)cc2Cl)C[C@@H]1[NH3+] ZINC000092028528 180309667 /nfs/dbraw/zinc/30/96/67/180309667.db2.gz PDNWVDZTKBLJBD-FZMZJTMJSA-N 1 0 298.789 2.607 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC(C)CC2)C1 ZINC000092101861 180325904 /nfs/dbraw/zinc/32/59/04/180325904.db2.gz MGOXGWUJKATRED-AVVWSFFYSA-N 1 0 266.429 2.613 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000092195368 180341263 /nfs/dbraw/zinc/34/12/63/180341263.db2.gz POOWIHJNMVMCGY-WCQYABFASA-N 1 0 288.322 2.711 50 0 CFAARO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(F)cc1 ZINC000225452488 282696935 /nfs/dbraw/zinc/69/69/35/282696935.db2.gz UGGROGRDXRHLQA-CQSZACIVSA-N 1 0 259.328 2.726 50 0 CFAARO OCCC[N@H+](C[C@H]1CCOC1)[C@@H]1CCCc2ccccc21 ZINC000108096535 186204605 /nfs/dbraw/zinc/20/46/05/186204605.db2.gz DUTBPJDIUZHNRQ-CRAIPNDOSA-N 1 0 289.419 2.785 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1 ZINC000110641722 186308387 /nfs/dbraw/zinc/30/83/87/186308387.db2.gz FKLLEGKOBGXBKF-HUUCEWRRSA-N 1 0 292.448 2.762 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)c(Cl)c1OC ZINC000110823036 186327777 /nfs/dbraw/zinc/32/77/77/186327777.db2.gz OOTZMUBUJFVREM-NWDGAFQWSA-N 1 0 299.798 2.750 50 0 CFAARO COc1ccccc1/C=C\C[NH2+][C@@H]1CCCC12OCCO2 ZINC000606444605 351270981 /nfs/dbraw/zinc/27/09/81/351270981.db2.gz GMQLBMIQHBEWLW-GMNBZTITSA-N 1 0 289.375 2.594 50 0 CFAARO COc1ccccc1/C=C\CNCC[C@H](C)[NH+](C)C ZINC000606444627 351271254 /nfs/dbraw/zinc/27/12/54/351271254.db2.gz LKHGZHWJNCVCFP-LEJCZOIISA-N 1 0 262.397 2.638 50 0 CFAARO Cc1occc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000122234323 187022260 /nfs/dbraw/zinc/02/22/60/187022260.db2.gz HMHJCWAZTODRSX-UHFFFAOYSA-N 1 0 264.369 2.630 50 0 CFAARO COc1cc([C@@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000002582612 169813735 /nfs/dbraw/zinc/81/37/35/169813735.db2.gz HRAOJJIYIBNNGJ-NSHDSACASA-N 1 0 251.326 2.527 50 0 CFAARO C[C@@H](CC(N)=O)[NH2+][C@H](c1ccccc1)c1cccc(F)c1 ZINC000095969246 295842616 /nfs/dbraw/zinc/84/26/16/295842616.db2.gz GPABZFZZBZITLF-YVEFUNNKSA-N 1 0 286.350 2.769 50 0 CFAARO O=C(C[NH+]1CCCCCC1)NCCCc1ccccc1 ZINC000048418212 539935980 /nfs/dbraw/zinc/93/59/80/539935980.db2.gz AVYFRHCBYXMUAG-UHFFFAOYSA-N 1 0 274.408 2.611 50 0 CFAARO CS(=O)(=O)C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000154985168 188174692 /nfs/dbraw/zinc/17/46/92/188174692.db2.gz NPJAJWOHLWIAHT-HOCLYGCPSA-N 1 0 293.432 2.718 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCN2c3ccccc3CC2=O)[C@@H](C)C1 ZINC000221804351 539988899 /nfs/dbraw/zinc/98/88/99/539988899.db2.gz LNVHOBJFTUGIKN-IJEWVQPXSA-N 1 0 286.419 2.990 50 0 CFAARO CC(C)[C@@H](CO)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000156372096 188258319 /nfs/dbraw/zinc/25/83/19/188258319.db2.gz RPGMFQIHYZIFOQ-CYBMUJFWSA-N 1 0 296.317 2.726 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156459675 188263074 /nfs/dbraw/zinc/26/30/74/188263074.db2.gz WRMIKHABLSAKSM-OHFALNGGSA-N 1 0 286.419 2.684 50 0 CFAARO C/C(=C/C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccc(F)cc1 ZINC000156562221 188269113 /nfs/dbraw/zinc/26/91/13/188269113.db2.gz PDRFUHOOOJYZDF-QQYFDESBSA-N 1 0 290.382 2.815 50 0 CFAARO OC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000157122786 188297752 /nfs/dbraw/zinc/29/77/52/188297752.db2.gz PGJPLZNBBROMEK-KRWDZBQOSA-N 1 0 285.391 2.609 50 0 CFAARO O=C(N[C@H](Cc1ccccc1)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000157165596 188301161 /nfs/dbraw/zinc/30/11/61/188301161.db2.gz FKKLKZDQRSPIDL-DLBZAZTESA-N 1 0 286.419 2.514 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 ZINC000158530012 188380872 /nfs/dbraw/zinc/38/08/72/188380872.db2.gz HWGKIKMLLYADQV-OQHXTRMZSA-N 1 0 298.308 2.668 50 0 CFAARO O=c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)nc2ccccn12 ZINC000685939497 540020427 /nfs/dbraw/zinc/02/04/27/540020427.db2.gz OZEMTDMKEMZKEZ-GJZGRUSLSA-N 1 0 297.402 2.707 50 0 CFAARO OC[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000628117144 354437638 /nfs/dbraw/zinc/43/76/38/354437638.db2.gz UWDWTVAYXYUMNR-ZDUSSCGKSA-N 1 0 287.325 2.952 50 0 CFAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2CC)cc1 ZINC000083823676 540184404 /nfs/dbraw/zinc/18/44/04/540184404.db2.gz RWTDLYPUALDLDF-ZWKOTPCHSA-N 1 0 288.435 2.986 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)N1CCCC1)c1ccc(Cl)cc1 ZINC000083847714 540185690 /nfs/dbraw/zinc/18/56/90/540185690.db2.gz UMOSQUBOPUTHKN-CQSZACIVSA-N 1 0 295.814 2.748 50 0 CFAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1occc1C ZINC000084736265 540207474 /nfs/dbraw/zinc/20/74/74/540207474.db2.gz DSWPNJDWXRIYKD-GJZGRUSLSA-N 1 0 292.423 2.961 50 0 CFAARO CC[N@H+](CCNC(=O)N(C)[C@@H](C)CC(C)C)C(C)C ZINC000084774760 540208308 /nfs/dbraw/zinc/20/83/08/540208308.db2.gz IZSAKBBVOCUXPQ-AWEZNQCLSA-N 1 0 271.449 2.793 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000090882954 540382286 /nfs/dbraw/zinc/38/22/86/540382286.db2.gz AEFVFBAIURCFIT-NSHDSACASA-N 1 0 287.450 2.532 50 0 CFAARO CC(C)[C@H]([NH2+]CCn1ccnc1)c1ccc2c(c1)CCO2 ZINC000091264084 540392746 /nfs/dbraw/zinc/39/27/46/540392746.db2.gz VMXJGTBPHDEWSM-KRWDZBQOSA-N 1 0 285.391 2.805 50 0 CFAARO [NH3+]Cc1cc(Br)cc(F)c1Br ZINC000263623704 283525756 /nfs/dbraw/zinc/52/57/56/283525756.db2.gz JXAPHKCUNLVRIH-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cn1 ZINC000095987803 540726023 /nfs/dbraw/zinc/72/60/23/540726023.db2.gz VQEJXAOQSRRAET-XHSDSOJGSA-N 1 0 272.392 2.827 50 0 CFAARO CN1C[C@H]([NH2+]Cc2cc3ccccc3s2)CCC1=O ZINC000089374924 540717944 /nfs/dbraw/zinc/71/79/44/540717944.db2.gz INLQXRMMGUWYTO-GFCCVEGCSA-N 1 0 274.389 2.612 50 0 CFAARO CC[NH2+]Cc1cccc(NC(=O)c2cc(C3CC3)on2)c1 ZINC000178431557 189115811 /nfs/dbraw/zinc/11/58/11/189115811.db2.gz VOENICASYXTAPV-UHFFFAOYSA-N 1 0 285.347 2.914 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178519040 189123316 /nfs/dbraw/zinc/12/33/16/189123316.db2.gz KSMNFSYKOAARMM-NSHDSACASA-N 1 0 296.798 2.548 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000178975422 189159227 /nfs/dbraw/zinc/15/92/27/189159227.db2.gz ZFJBDQVMXLJAKG-CABCVRRESA-N 1 0 274.408 2.557 50 0 CFAARO C[C@@H]1CC[C@@H](C)N1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000299738869 540983675 /nfs/dbraw/zinc/98/36/75/540983675.db2.gz HMCVLPZEUMXQAR-NFAWXSAZSA-N 1 0 260.381 2.866 50 0 CFAARO CC(C)OCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000328586875 540975597 /nfs/dbraw/zinc/97/55/97/540975597.db2.gz WLYQOWUQGSSTSY-INIZCTEOSA-N 1 0 296.455 2.526 50 0 CFAARO Clc1cccc(OC2C[NH+](C[C@H]3CCCOC3)C2)c1 ZINC000670439068 540994986 /nfs/dbraw/zinc/99/49/86/540994986.db2.gz HLJQXIVDUQPXHC-GFCCVEGCSA-N 1 0 281.783 2.830 50 0 CFAARO Cc1ccc(OC2C[NH+]([C@@H](C)CCn3cccn3)C2)cc1 ZINC000670444352 540996819 /nfs/dbraw/zinc/99/68/19/540996819.db2.gz XUDKAXWCTVMYAW-HNNXBMFYSA-N 1 0 285.391 2.733 50 0 CFAARO Cc1nc2ccc(Cl)cn2c1C[N@H+](C)C[C@H]1CCCO1 ZINC000670444299 540997056 /nfs/dbraw/zinc/99/70/56/540997056.db2.gz NNGPUPYTCGWBSO-CYBMUJFWSA-N 1 0 293.798 2.907 50 0 CFAARO CCC[C@H](C)[NH2+]Cc1nncn1CCc1ccccc1 ZINC000670448451 540998069 /nfs/dbraw/zinc/99/80/69/540998069.db2.gz TWEZBNPLNCBCDK-AWEZNQCLSA-N 1 0 272.396 2.799 50 0 CFAARO CCCOC[C@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000670448963 540998373 /nfs/dbraw/zinc/99/83/73/540998373.db2.gz BROLDHYRRCQITL-LBPRGKRZSA-N 1 0 285.819 2.630 50 0 CFAARO CC[NH+]1CCC(N[C@H](c2nccn2C)c2ccccc2)CC1 ZINC000670451550 540999287 /nfs/dbraw/zinc/99/92/87/540999287.db2.gz TUKBNACKEIGIBY-KRWDZBQOSA-N 1 0 298.434 2.583 50 0 CFAARO CC[NH+]1CCC(N[C@@H](c2nccn2C)c2ccccc2)CC1 ZINC000670451551 540999454 /nfs/dbraw/zinc/99/94/54/540999454.db2.gz TUKBNACKEIGIBY-QGZVFWFLSA-N 1 0 298.434 2.583 50 0 CFAARO Cc1nc(CN2CCOc3ccc(Cl)cc3C2)c[nH]1 ZINC000670455819 541001336 /nfs/dbraw/zinc/00/13/36/541001336.db2.gz HELRUETVWWZVCT-UHFFFAOYSA-N 1 0 277.755 2.766 50 0 CFAARO C[n+]1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000670425658 540989445 /nfs/dbraw/zinc/98/94/45/540989445.db2.gz SDZJCOKVKBRIJQ-UHFFFAOYSA-O 1 0 263.320 2.917 50 0 CFAARO CC(C)(C)C[C@@H](NC(=O)C1([NH3+])CCCC1)c1cccnc1 ZINC000670461910 541004600 /nfs/dbraw/zinc/00/46/00/541004600.db2.gz XIMLRQLMYLBASR-CQSZACIVSA-N 1 0 289.423 2.947 50 0 CFAARO CCn1ccc2cc(C[N@@H+]3CC[C@@H](CC(=O)NC)C3)ccc21 ZINC000670468411 541007148 /nfs/dbraw/zinc/00/71/48/541007148.db2.gz HQLHOAFUEXZMCP-HNNXBMFYSA-N 1 0 299.418 2.619 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000670474373 541011834 /nfs/dbraw/zinc/01/18/34/541011834.db2.gz SQQHUDHQUMCAQI-OMDKTOEGSA-N 1 0 261.365 2.555 50 0 CFAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc2ccccc2n1 ZINC000183582231 189363030 /nfs/dbraw/zinc/36/30/30/189363030.db2.gz KSLIHBGGXMILRT-KCQAQPDRSA-N 1 0 268.360 2.822 50 0 CFAARO COC[C@@H]([NH2+]CCc1ccnn1C)c1ccc(Cl)cc1 ZINC000194177347 189655817 /nfs/dbraw/zinc/65/58/17/189655817.db2.gz UJYYGJCTQJWCKY-OAHLLOKOSA-N 1 0 293.798 2.593 50 0 CFAARO C[Si](C)(CCCOCC[NH3+])c1ccc(Cl)cc1 ZINC000195803433 189682272 /nfs/dbraw/zinc/68/22/72/189682272.db2.gz XLLJTODYWFJTMI-UHFFFAOYSA-N 1 0 271.864 2.621 50 0 CFAARO CC[N@@H+](Cc1cnn(C(C)C)c1)CC1CCOCC1 ZINC000215984598 189698937 /nfs/dbraw/zinc/69/89/37/189698937.db2.gz MAGGCUXWKBGIRL-UHFFFAOYSA-N 1 0 265.401 2.713 50 0 CFAARO C[C@@H](C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)c1ccccc1 ZINC000225636123 189760380 /nfs/dbraw/zinc/76/03/80/189760380.db2.gz YHRLEUCTVDAXSK-WMLDXEAASA-N 1 0 299.418 2.959 50 0 CFAARO Cc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)cc(Cl)n1 ZINC000225639822 189760439 /nfs/dbraw/zinc/76/04/39/189760439.db2.gz ZGVHFOZGICWHPV-PWSUYJOCSA-N 1 0 254.761 2.558 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)c1cnccn1)[C@H](c1ccccc1)N(C)C ZINC000248645886 296152108 /nfs/dbraw/zinc/15/21/08/296152108.db2.gz RMXAWDIIWJKAFG-JJRVBVJISA-N 1 0 284.407 2.819 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2c(s1)CCC2 ZINC000060567791 284199885 /nfs/dbraw/zinc/19/98/85/284199885.db2.gz AEDDVQPWBFHVIR-STQMWFEESA-N 1 0 290.432 2.593 50 0 CFAARO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1 ZINC000000200543 371556129 /nfs/dbraw/zinc/55/61/29/371556129.db2.gz HBVYYELBJJBUGZ-UHFFFAOYSA-N 1 0 256.349 2.765 50 0 CFAARO COc1ccc(C[NH2+]Cc2ccccc2)cc1OC ZINC000000174643 371549436 /nfs/dbraw/zinc/54/94/36/371549436.db2.gz JUVDVCSGIUHGPB-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO C[C@H](C[NH+]1CCCC1)OC(=O)c1ccc(Cl)cc1 ZINC000000210727 371559458 /nfs/dbraw/zinc/55/94/58/371559458.db2.gz LAFOFHUBJDGESJ-LLVKDONJSA-N 1 0 267.756 2.981 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2cccs2)CC1 ZINC000000239299 371564678 /nfs/dbraw/zinc/56/46/78/371564678.db2.gz UBCSCAXMOIOQCO-UHFFFAOYSA-N 1 0 253.367 2.523 50 0 CFAARO CC[NH+](CC)CCn1c2ccccc2n2cc(C)nc21 ZINC000000241481 371566228 /nfs/dbraw/zinc/56/62/28/371566228.db2.gz YSZOZVONWPEGBG-UHFFFAOYSA-N 1 0 270.380 2.939 50 0 CFAARO COc1ccc(C[NH+]2CCSCC2)c(C)c1C ZINC000000240139 371566784 /nfs/dbraw/zinc/56/67/84/371566784.db2.gz UQARVNBQOOPZMY-UHFFFAOYSA-N 1 0 251.395 2.861 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000000246842 371568042 /nfs/dbraw/zinc/56/80/42/371568042.db2.gz IRCTUCGANJLJNZ-SHARSMKWSA-N 1 0 271.445 2.967 50 0 CFAARO COc1cccc(C[NH2+]Cc2ccccc2)c1OC ZINC000000250775 371569654 /nfs/dbraw/zinc/56/96/54/371569654.db2.gz OBJCCOMMARAKOI-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000000254307 371570131 /nfs/dbraw/zinc/57/01/31/371570131.db2.gz ILDCWTQUCKROQJ-LBPRGKRZSA-N 1 0 264.344 2.886 50 0 CFAARO CN(C(=O)C(F)(F)F)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000000266902 371573134 /nfs/dbraw/zinc/57/31/34/371573134.db2.gz IAXUNMOMOHADHK-UHFFFAOYSA-N 1 0 280.334 2.659 50 0 CFAARO CCOC(=O)N1CC[NH+](C2CCCCCCC2)CC1 ZINC000000279569 371576323 /nfs/dbraw/zinc/57/63/23/371576323.db2.gz GONDTTWNVFZOPU-UHFFFAOYSA-N 1 0 268.401 2.873 50 0 CFAARO CCC[N@H+](CCO)Cc1ccccc1C(F)(F)F ZINC000000277601 371576617 /nfs/dbraw/zinc/57/66/17/371576617.db2.gz RGYYHJLINAHYBZ-UHFFFAOYSA-N 1 0 261.287 2.910 50 0 CFAARO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2OC)cc1 ZINC000000292703 371579319 /nfs/dbraw/zinc/57/93/19/371579319.db2.gz KGOUXTPCLRWHSH-CVEARBPZSA-N 1 0 263.381 2.785 50 0 CFAARO O=C(c1ccccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000000300507 371581807 /nfs/dbraw/zinc/58/18/07/371581807.db2.gz BTGYOAWIVUZXPQ-UHFFFAOYSA-N 1 0 276.355 2.526 50 0 CFAARO c1ccc(CSc2n[n+]3cccnc3s2)cc1 ZINC000000523317 371635900 /nfs/dbraw/zinc/63/59/00/371635900.db2.gz SZUAMTPVPZLRQC-UHFFFAOYSA-N 1 0 260.367 2.569 50 0 CFAARO CCCOc1cc(N)ccc1C(=O)OCC[NH+](CC)CC ZINC000001530942 371679078 /nfs/dbraw/zinc/67/90/78/371679078.db2.gz CAJIGINSTLKQMM-UHFFFAOYSA-N 1 0 294.395 2.556 50 0 world CFAARO CCN(CC)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000785833 371649304 /nfs/dbraw/zinc/64/93/04/371649304.db2.gz WLDLDGSUPMQOGI-UHFFFAOYSA-N 1 0 292.398 2.906 50 0 CFAARO CCOc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000000812160 371651194 /nfs/dbraw/zinc/65/11/94/371651194.db2.gz HZSSMCLUJOYWMX-UHFFFAOYSA-N 1 0 276.380 2.900 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000000819571 371652740 /nfs/dbraw/zinc/65/27/40/371652740.db2.gz ZZGOIWAEYNBAAD-CYBMUJFWSA-N 1 0 259.349 2.709 50 0 CFAARO COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[N@H+](C)CC2 ZINC000000895668 371655021 /nfs/dbraw/zinc/65/50/21/371655021.db2.gz BOKVLBSSPUTWLV-INIZCTEOSA-N 1 0 299.370 2.878 50 0 in-man CFAARO COc1cccc(C(=O)OCC[N@H+](C)C(C)(C)C)c1 ZINC000001831158 371707844 /nfs/dbraw/zinc/70/78/44/371707844.db2.gz ZNYYXVIBDKASRO-UHFFFAOYSA-N 1 0 265.353 2.582 50 0 CFAARO C[N@H+](CCOC(=O)/C=C/c1ccccc1)C(C)(C)C ZINC000001830991 371708115 /nfs/dbraw/zinc/70/81/15/371708115.db2.gz YYNKUKLFXJBLLX-ZHACJKMWSA-N 1 0 261.365 2.973 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000002540654 371734811 /nfs/dbraw/zinc/73/48/11/371734811.db2.gz VEXKYYBQZJWWSL-JTQLQIEISA-N 1 0 262.136 2.946 50 0 CFAARO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000002624183 371743076 /nfs/dbraw/zinc/74/30/76/371743076.db2.gz MCYLYLQVTSBYAN-UZYOAWRESA-N 1 0 293.407 2.856 50 0 CFAARO CCOc1ccc(CNCCC[NH+](C)C)cc1OCC ZINC000002647842 371744964 /nfs/dbraw/zinc/74/49/64/371744964.db2.gz UBWAWQMRNDULPY-UHFFFAOYSA-N 1 0 280.412 2.525 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1ccccc1C(C)(C)C ZINC000002674823 371746356 /nfs/dbraw/zinc/74/63/56/371746356.db2.gz WMISHXACHUDUEI-ZDUSSCGKSA-N 1 0 265.397 2.722 50 0 CFAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2F)C1 ZINC000002822921 371756219 /nfs/dbraw/zinc/75/62/19/371756219.db2.gz XBXOBEOHVSQKGU-CQSZACIVSA-N 1 0 281.371 2.953 50 0 CFAARO C[NH+](C)CCCOc1ccc(Br)cc1 ZINC000002824110 371756910 /nfs/dbraw/zinc/75/69/10/371756910.db2.gz CAPNMXRLKVMOOB-UHFFFAOYSA-N 1 0 258.159 2.780 50 0 CFAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(C)cc1OC ZINC000002823578 371757026 /nfs/dbraw/zinc/75/70/26/371757026.db2.gz QCADWUZQBCWTNK-AWEZNQCLSA-N 1 0 281.396 2.787 50 0 CFAARO CCCCOc1ccc(C[NH2+]C(C)(C)CO)cc1OC ZINC000002863695 371761484 /nfs/dbraw/zinc/76/14/84/371761484.db2.gz HDECTQIXWHWWAK-UHFFFAOYSA-N 1 0 281.396 2.735 50 0 CFAARO Cc1cc(C)c(OCCCCC[NH2+]CCO)c(C)c1 ZINC000002901561 371762366 /nfs/dbraw/zinc/76/23/66/371762366.db2.gz SEJLAPHMCNYZHT-UHFFFAOYSA-N 1 0 265.397 2.743 50 0 CFAARO C[NH+](C)CCCNC(=O)c1ccc(Cl)cc1Cl ZINC000002897747 371762610 /nfs/dbraw/zinc/76/26/10/371762610.db2.gz ZGSPGTRUWYILLX-UHFFFAOYSA-N 1 0 275.179 2.675 50 0 CFAARO CCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000003116711 371774848 /nfs/dbraw/zinc/77/48/48/371774848.db2.gz PQQKDGLJFQRCIU-UHFFFAOYSA-N 1 0 275.396 2.567 50 0 CFAARO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000003310762 371788741 /nfs/dbraw/zinc/78/87/41/371788741.db2.gz DKEMWFYEBAUWLY-SWLSCSKDSA-N 1 0 278.371 2.610 50 0 CFAARO CCCCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004028029 371829540 /nfs/dbraw/zinc/82/95/40/371829540.db2.gz DWHBWYUTTWGSGX-UONOGXRCSA-N 1 0 253.386 2.984 50 0 CFAARO CC(C)[NH+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000003391496 371796781 /nfs/dbraw/zinc/79/67/81/371796781.db2.gz VWLWJGGGSBEYRT-MRXNPFEDSA-N 1 0 265.397 2.683 50 0 CFAARO CC(=O)N1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004021140 371828852 /nfs/dbraw/zinc/82/88/52/371828852.db2.gz BOBPXEGRCWIYSM-UHFFFAOYSA-N 1 0 276.424 2.556 50 0 CFAARO O[C@@H](C[NH2+]Cc1cc2ccccc2s1)C(F)(F)F ZINC000004389264 371855912 /nfs/dbraw/zinc/85/59/12/371855912.db2.gz TXJJQFYTLOSLQA-NSHDSACASA-N 1 0 275.295 2.914 50 0 CFAARO CCOc1cc(C[NH2+]Cc2ccco2)ccc1OC ZINC000004488578 371859695 /nfs/dbraw/zinc/85/96/95/371859695.db2.gz UHAUAKZVSMWOEH-UHFFFAOYSA-N 1 0 261.321 2.977 50 0 CFAARO C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000011873289 371934994 /nfs/dbraw/zinc/93/49/94/371934994.db2.gz XOGJDGLHUZSSOF-NSHDSACASA-N 1 0 258.325 2.506 50 0 CFAARO Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000011961855 371938740 /nfs/dbraw/zinc/93/87/40/371938740.db2.gz YHGGNSYKZHCBBQ-HNNXBMFYSA-N 1 0 254.333 2.504 50 0 CFAARO Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000007787557 371894533 /nfs/dbraw/zinc/89/45/33/371894533.db2.gz OLLUPCKNOMJLSM-LBPRGKRZSA-N 1 0 260.381 2.974 50 0 CFAARO CCOc1ccc(CNCCC[NH+](C)C)cc1Cl ZINC000010435610 371908553 /nfs/dbraw/zinc/90/85/53/371908553.db2.gz JVWVKXSNEZYITR-UHFFFAOYSA-N 1 0 270.804 2.780 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)O)cc1Cl ZINC000010474600 371909744 /nfs/dbraw/zinc/90/97/44/371909744.db2.gz ORRFPUOVSSXHRL-MRVPVSSYSA-N 1 0 278.179 2.863 50 0 CFAARO CC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000010474743 371910094 /nfs/dbraw/zinc/91/00/94/371910094.db2.gz ZQPCZNBEQXMZCH-UHFFFAOYSA-N 1 0 258.159 2.957 50 0 CFAARO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000012414211 371960898 /nfs/dbraw/zinc/96/08/98/371960898.db2.gz KSIMRCJXVNOUTP-FHLIZLRMSA-N 1 0 289.419 2.611 50 0 CFAARO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)c(C)s1 ZINC000012905507 371996132 /nfs/dbraw/zinc/99/61/32/371996132.db2.gz FDPGVKBXSMYVSI-UHFFFAOYSA-N 1 0 280.437 2.968 50 0 CFAARO Cc1cccn2c(=O)cc(C[NH+]3CCCCCCC3)nc12 ZINC000012928441 372000702 /nfs/dbraw/zinc/00/07/02/372000702.db2.gz GULYMXRXGQMYQJ-UHFFFAOYSA-N 1 0 285.391 2.769 50 0 CFAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1cccs1)(C3)C2 ZINC000013728166 372044073 /nfs/dbraw/zinc/04/40/73/372044073.db2.gz WBYKKWHAZQXORB-AVJIGQEQSA-N 1 0 263.406 2.921 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000014075530 372058901 /nfs/dbraw/zinc/05/89/01/372058901.db2.gz DERJEJJUSYZBIP-UHFFFAOYSA-N 1 0 281.787 2.947 50 0 CFAARO COc1ccccc1OCCn1c(N)[nH+]c2ccccc21 ZINC000016474749 372106642 /nfs/dbraw/zinc/10/66/42/372106642.db2.gz FGFCLYKICHXLMH-UHFFFAOYSA-N 1 0 283.331 2.706 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000016604942 372112921 /nfs/dbraw/zinc/11/29/21/372112921.db2.gz GQMAFKJGCTXMFD-UHFFFAOYSA-N 1 0 272.801 2.617 50 0 CFAARO CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000016607474 372115142 /nfs/dbraw/zinc/11/51/42/372115142.db2.gz QSAHFTMNSKNHRH-UHFFFAOYSA-N 1 0 274.408 2.733 50 0 CFAARO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(F)cc1 ZINC000014181506 372062621 /nfs/dbraw/zinc/06/26/21/372062621.db2.gz BJWSMVWEQDTBFG-UHFFFAOYSA-N 1 0 279.359 2.823 50 0 CFAARO Brc1cccc(OC2CC[NH2+]CC2)c1 ZINC000014631908 372072208 /nfs/dbraw/zinc/07/22/08/372072208.db2.gz MRKNLUCMGQUPLZ-UHFFFAOYSA-N 1 0 256.143 2.580 50 0 in-vitro CFAARO Brc1ccccc1OCC1CC[NH2+]CC1 ZINC000014631411 372072513 /nfs/dbraw/zinc/07/25/13/372072513.db2.gz FGIVWTSVLVUKOK-UHFFFAOYSA-N 1 0 270.170 2.828 50 0 CFAARO COC(=O)C[C@@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000015440700 372085608 /nfs/dbraw/zinc/08/56/08/372085608.db2.gz ILCMUDOUJORZIK-MRXNPFEDSA-N 1 0 285.343 2.829 50 0 CFAARO COc1ccc(OCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016192922 372101684 /nfs/dbraw/zinc/10/16/84/372101684.db2.gz JVWRRBCVSDUHFD-OKILXGFUSA-N 1 0 279.380 2.573 50 0 CFAARO Fc1ccc(COc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000019688541 372180351 /nfs/dbraw/zinc/18/03/51/372180351.db2.gz LEYOXRMNSMTSHV-UHFFFAOYSA-N 1 0 286.350 2.814 50 0 CFAARO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH2+]CC1 ZINC000019679884 372180967 /nfs/dbraw/zinc/18/09/67/372180967.db2.gz JNALRJOIXRFIQP-UHFFFAOYSA-N 1 0 294.398 2.640 50 0 CFAARO CC(C)(C)c1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000019282609 372154310 /nfs/dbraw/zinc/15/43/10/372154310.db2.gz YFCGQRQRPPAMHU-UHFFFAOYSA-N 1 0 274.408 2.714 50 0 CFAARO CCOc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000019312306 372155029 /nfs/dbraw/zinc/15/50/29/372155029.db2.gz QENPASDKPMILPK-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO C[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000016989264 372123450 /nfs/dbraw/zinc/12/34/50/372123450.db2.gz ONEAULCOXYZRDK-CYBMUJFWSA-N 1 0 252.402 2.557 50 0 CFAARO O=C(C[NH2+]C1CCCCC1)Nc1ccc(F)cc1 ZINC000020035688 372221476 /nfs/dbraw/zinc/22/14/76/372221476.db2.gz CXYLGYRFZJOTJP-UHFFFAOYSA-N 1 0 250.317 2.687 50 0 CFAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100511 372230908 /nfs/dbraw/zinc/23/09/08/372230908.db2.gz UICMXMJIQPFNHL-CYBMUJFWSA-N 1 0 292.398 2.952 50 0 CFAARO Cc1ccc(C)c(OCCCCN2CC[NH2+]CC2)c1C ZINC000020118603 372232521 /nfs/dbraw/zinc/23/25/21/372232521.db2.gz AGGWDYYVQAPCAP-UHFFFAOYSA-N 1 0 276.424 2.676 50 0 CFAARO Cc1ccc(C[N@@H+]2CCc3[nH]c(=S)[nH]c(=O)c3C2)cc1 ZINC000020131758 372234828 /nfs/dbraw/zinc/23/48/28/372234828.db2.gz MTNVYULUZSZEID-UHFFFAOYSA-N 1 0 287.388 2.712 50 0 CFAARO Cc1cccc(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000019789323 372187552 /nfs/dbraw/zinc/18/75/52/372187552.db2.gz OTXNBYLWZDXSNW-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC000019789919 372188008 /nfs/dbraw/zinc/18/80/08/372188008.db2.gz QUJMCKIWJMBVEL-DOTOQJQBSA-N 1 0 273.424 2.778 50 0 CFAARO CC(C)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000019788201 372188038 /nfs/dbraw/zinc/18/80/38/372188038.db2.gz JAQDXFRWINKLSE-UHFFFAOYSA-N 1 0 252.789 2.866 50 0 CFAARO CN1CC[NH+]([C@@H]2c3ccccc3COc3ccccc32)CC1 ZINC000019801860 372190875 /nfs/dbraw/zinc/19/08/75/372190875.db2.gz JEVVLGHVJYXQPQ-LJQANCHMSA-N 1 0 294.398 2.916 50 0 CFAARO CCC(CC)[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019880298 372202245 /nfs/dbraw/zinc/20/22/45/372202245.db2.gz AYUQXCMIQPFKMI-UHFFFAOYSA-N 1 0 290.407 2.722 50 0 CFAARO COc1ccc(CC[NH2+][C@@H](C)c2ccccn2)cc1OC ZINC000019902437 372203613 /nfs/dbraw/zinc/20/36/13/372203613.db2.gz PHYCAAXSTJZPDU-ZDUSSCGKSA-N 1 0 286.375 2.992 50 0 CFAARO O=C(Nc1nccs1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023311631 372258275 /nfs/dbraw/zinc/25/82/75/372258275.db2.gz ARMSMQUKQFMFLA-MRVPVSSYSA-N 1 0 279.390 2.881 50 0 CFAARO Cc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000024013808 372268836 /nfs/dbraw/zinc/26/88/36/372268836.db2.gz BMMXVOQZORMVFT-UHFFFAOYSA-N 1 0 269.348 2.704 50 0 CFAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000025441593 372301418 /nfs/dbraw/zinc/30/14/18/372301418.db2.gz CXXLPWQHQOMCOF-GOSISDBHSA-N 1 0 294.398 2.993 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccs2)C(C)C)on1 ZINC000024241612 372272557 /nfs/dbraw/zinc/27/25/57/372272557.db2.gz JEAOILHISLGAEP-CQSZACIVSA-N 1 0 293.392 2.970 50 0 CFAARO c1ccc2sc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000024660028 372279538 /nfs/dbraw/zinc/27/95/38/372279538.db2.gz QSJAICIFHCYTTG-LLVKDONJSA-N 1 0 259.378 2.581 50 0 CFAARO COc1cc2c(cc1O)[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]2O ZINC000024717708 372280268 /nfs/dbraw/zinc/28/02/68/372280268.db2.gz QVZIJKZJCCSTJP-RDJZCZTQSA-N 1 0 299.370 2.663 50 0 CFAARO COc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000026781070 372329541 /nfs/dbraw/zinc/32/95/41/372329541.db2.gz OXMWHERAWFMKDW-SOUVJXGZSA-N 1 0 293.407 2.698 50 0 CFAARO Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000026895785 372330946 /nfs/dbraw/zinc/33/09/46/372330946.db2.gz RLAPHVKVTWWOCS-ZIAGYGMSSA-N 1 0 276.380 2.657 50 0 CFAARO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000027932324 372353134 /nfs/dbraw/zinc/35/31/34/372353134.db2.gz IKDUAVSPPWPBPZ-CQSZACIVSA-N 1 0 273.380 2.615 50 0 CFAARO CCCC[C@@H](CC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932218 372353172 /nfs/dbraw/zinc/35/31/72/372353172.db2.gz CFBUHKAMPDNOQD-ZIAGYGMSSA-N 1 0 252.402 2.509 50 0 CFAARO C[N@H+](Cc1cccc(F)c1)Cc1cccc(C(N)=O)c1 ZINC000029172948 372374996 /nfs/dbraw/zinc/37/49/96/372374996.db2.gz MQSIWPQKIFYLQL-UHFFFAOYSA-N 1 0 272.323 2.557 50 0 CFAARO CC[NH+]1CCC(NC(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000029606553 372382735 /nfs/dbraw/zinc/38/27/35/372382735.db2.gz TWOMLOGJHKVROI-UHFFFAOYSA-N 1 0 299.418 2.701 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)NC1CCCC1)c1cccs1 ZINC000030986154 372400806 /nfs/dbraw/zinc/40/08/06/372400806.db2.gz AYFZTDGMLAMLHA-GFCCVEGCSA-N 1 0 281.425 2.593 50 0 CFAARO C[NH+](C)Cc1cccc(CNC(=O)NCc2ccccc2)c1 ZINC000031726018 372416174 /nfs/dbraw/zinc/41/61/74/372416174.db2.gz KWRWDNLYSYCHRZ-UHFFFAOYSA-N 1 0 297.402 2.748 50 0 CFAARO COc1ccc(-c2cc(C[NH3+])ccc2F)c(OC)c1OC ZINC000032004254 372425742 /nfs/dbraw/zinc/42/57/42/372425742.db2.gz IICKRNDEKSOVGQ-UHFFFAOYSA-N 1 0 291.322 2.977 50 0 CFAARO Cc1cc(C)nc(NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000032541624 372444823 /nfs/dbraw/zinc/44/48/23/372444823.db2.gz BBSGRKBBFKVFQL-UHFFFAOYSA-N 1 0 297.406 2.565 50 0 CFAARO Nc1cc[nH+]cc1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000032577628 372446214 /nfs/dbraw/zinc/44/62/14/372446214.db2.gz LQISNCOSPCMYLK-UHFFFAOYSA-N 1 0 281.359 2.957 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH2+][C@H](C)C2CC2)ccc1Cl ZINC000032597615 372447097 /nfs/dbraw/zinc/44/70/97/372447097.db2.gz FFPIEKXCBNEKRO-YPMHNXCESA-N 1 0 283.799 2.776 50 0 CFAARO CC(=O)Nc1cccc(-c2ccccc2CC[NH3+])c1 ZINC000032597733 372448035 /nfs/dbraw/zinc/44/80/35/372448035.db2.gz NYGAUWSAQIRXDC-UHFFFAOYSA-N 1 0 254.333 2.813 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000032679666 372453862 /nfs/dbraw/zinc/45/38/62/372453862.db2.gz RQACPVLNPKPBRR-UHFFFAOYSA-N 1 0 274.286 2.821 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000032857634 372470465 /nfs/dbraw/zinc/47/04/65/372470465.db2.gz HEJZUHXTYMFKHM-UHFFFAOYSA-N 1 0 256.296 2.682 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000032888193 372471544 /nfs/dbraw/zinc/47/15/44/372471544.db2.gz DXMIHUUKOFHYQY-GFCCVEGCSA-N 1 0 278.421 2.507 50 0 CFAARO C[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000035009584 372527394 /nfs/dbraw/zinc/52/73/94/372527394.db2.gz YVEOPSFNOZBJNY-CYBMUJFWSA-N 1 0 268.360 2.679 50 0 CFAARO CN(C)C(C)(C)C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052555 372533550 /nfs/dbraw/zinc/53/35/50/372533550.db2.gz FFROTJKQMYGPTQ-UHFFFAOYSA-N 1 0 278.425 2.568 50 0 CFAARO COc1cc(C[N@H+](CCC(C)C)C[C@@H](C)O)cc(OC)c1 ZINC000036095150 372555471 /nfs/dbraw/zinc/55/54/71/372555471.db2.gz NHIKEIKCIJXLED-CQSZACIVSA-N 1 0 295.423 2.933 50 0 CFAARO CCC[N@@H+](Cc1cccs1)C[C@@H](O)COCC(C)C ZINC000036096625 372558782 /nfs/dbraw/zinc/55/87/82/372558782.db2.gz FFEJFRAZISOHKW-CQSZACIVSA-N 1 0 285.453 2.994 50 0 CFAARO CCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COCC(C)C ZINC000036097890 372559040 /nfs/dbraw/zinc/55/90/40/372559040.db2.gz JIAOSVGPMIZPSY-OAHLLOKOSA-N 1 0 283.412 2.834 50 0 CFAARO Nc1cccc(C[N@H+](C[C@@H]2CCCCO2)C2CC2)c1 ZINC000036231154 372568675 /nfs/dbraw/zinc/56/86/75/372568675.db2.gz BJRMIMHQJVVGBB-INIZCTEOSA-N 1 0 260.381 2.802 50 0 CFAARO CCOC(=O)N[C@H](c1ccc(OC)cc1)[C@@H](C[NH3+])C(C)C ZINC000036378496 372574852 /nfs/dbraw/zinc/57/48/52/372574852.db2.gz YLBOQGDTUYPDGE-LSDHHAIUSA-N 1 0 294.395 2.713 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000036901565 372607941 /nfs/dbraw/zinc/60/79/41/372607941.db2.gz DPKYPWJMZHMYFJ-QGZVFWFLSA-N 1 0 284.407 2.645 50 0 CFAARO CC(C)NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000036961361 372617122 /nfs/dbraw/zinc/61/71/22/372617122.db2.gz GNUSGSXMAZZJJK-UHFFFAOYSA-N 1 0 282.387 2.890 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099988 372649401 /nfs/dbraw/zinc/64/94/01/372649401.db2.gz OUBMJFNHXVXRDW-QWRGUYRKSA-N 1 0 261.291 2.929 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc1F ZINC000037898544 372733867 /nfs/dbraw/zinc/73/38/67/372733867.db2.gz SUTXNKVHESNQJZ-SECBINFHSA-N 1 0 263.316 2.717 50 0 CFAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000037862448 372730078 /nfs/dbraw/zinc/73/00/78/372730078.db2.gz ZQKZGTHHPMLETK-MRXNPFEDSA-N 1 0 275.323 2.658 50 0 CFAARO Cc1ncc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000037797103 372711000 /nfs/dbraw/zinc/71/10/00/372711000.db2.gz CUUOTPHTMICVEQ-UHFFFAOYSA-N 1 0 267.442 2.850 50 0 CFAARO COc1ccc([C@H]([NH2+]Cc2c[nH]nc2C)C2CC2)cc1 ZINC000038011488 372763355 /nfs/dbraw/zinc/76/33/55/372763355.db2.gz WRHAYSHMOGZRRB-MRXNPFEDSA-N 1 0 271.364 2.968 50 0 CFAARO CCc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)o1 ZINC000039364416 372777382 /nfs/dbraw/zinc/77/73/82/372777382.db2.gz FRZCHKWBUJHZEP-ZDUSSCGKSA-N 1 0 287.359 2.944 50 0 CFAARO Cc1ccccc1CN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000039437887 372779948 /nfs/dbraw/zinc/77/99/48/372779948.db2.gz FHEORWDDWWSIRR-GOSISDBHSA-N 1 0 290.451 2.520 50 0 CFAARO CO[C@H]1CCCN(CC[N@@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000039447835 372780218 /nfs/dbraw/zinc/78/02/18/372780218.db2.gz FIJPMISJQKYIGK-ROUUACIJSA-N 1 0 288.435 2.587 50 0 CFAARO CNc1nc(Nc2cc[nH+]cc2)nc2ccccc21 ZINC000041146664 372820228 /nfs/dbraw/zinc/82/02/28/372820228.db2.gz JPLSUNGMRXPJBK-UHFFFAOYSA-N 1 0 251.293 2.810 50 0 CFAARO CC[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000041953432 372865874 /nfs/dbraw/zinc/86/58/74/372865874.db2.gz UBGVWOSWFFWGAQ-GHMZBOCLSA-N 1 0 254.399 2.513 50 0 CFAARO Fc1ccc(Br)cc1C[NH2+]CCn1cccn1 ZINC000042351845 372910904 /nfs/dbraw/zinc/91/09/04/372910904.db2.gz JQWFTVPAJLUHBO-UHFFFAOYSA-N 1 0 298.159 2.575 50 0 CFAARO CCOC(=O)c1ccccc1OCCC1CC[NH2+]CC1 ZINC000042771189 372953404 /nfs/dbraw/zinc/95/34/04/372953404.db2.gz UVHLPJQCANLNBY-UHFFFAOYSA-N 1 0 277.364 2.632 50 0 CFAARO Cc1ncsc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048268714 373156747 /nfs/dbraw/zinc/15/67/47/373156747.db2.gz KGLPYITZQDNVDT-RYUDHWBXSA-N 1 0 295.452 2.549 50 0 CFAARO c1cc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2s1 ZINC000047975386 373135334 /nfs/dbraw/zinc/13/53/34/373135334.db2.gz YZXNKGLPNWHMAO-ZYHUDNBSSA-N 1 0 274.393 2.730 50 0 CFAARO c1cnn(CCC[NH2+]Cc2c[nH]nc2-c2cccs2)c1 ZINC000048040390 373140426 /nfs/dbraw/zinc/14/04/26/373140426.db2.gz YVYVWFDBDNGXQD-UHFFFAOYSA-N 1 0 287.392 2.515 50 0 CFAARO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000049423168 373295120 /nfs/dbraw/zinc/29/51/20/373295120.db2.gz CWYOEHVZOYNOJB-CQSZACIVSA-N 1 0 278.371 2.562 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCC=CO1 ZINC000050269009 373368622 /nfs/dbraw/zinc/36/86/22/373368622.db2.gz FARAVOIUSWVAMZ-CZUORRHYSA-N 1 0 261.365 2.996 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000053202021 373470203 /nfs/dbraw/zinc/47/02/03/373470203.db2.gz YRQZBTXVSRQQSK-LBPRGKRZSA-N 1 0 274.389 2.725 50 0 CFAARO CC(C)NC(=O)C[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000054173558 373502451 /nfs/dbraw/zinc/50/24/51/373502451.db2.gz TYVHTQFDYXTQIW-UHFFFAOYSA-N 1 0 282.387 2.968 50 0 CFAARO C[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000057353095 373587345 /nfs/dbraw/zinc/58/73/45/373587345.db2.gz SPCGYLUDOTWWNF-UHFFFAOYSA-N 1 0 278.359 2.713 50 0 CFAARO C[C@H](C[NH2+]CCOc1ccccn1)c1ccccc1 ZINC000057353346 373590270 /nfs/dbraw/zinc/59/02/70/373590270.db2.gz USCPDXNQJBJDJU-CQSZACIVSA-N 1 0 256.349 2.854 50 0 CFAARO C[C@H]([NH2+]CCC1=CCCCC1)C(=O)NC1CCCC1 ZINC000055422002 373551590 /nfs/dbraw/zinc/55/15/90/373551590.db2.gz QOVAGYXJOGIKPL-ZDUSSCGKSA-N 1 0 264.413 2.914 50 0 CFAARO COc1c(C[NH2+][C@H]2CCCc3ccccc32)c(C)nn1C ZINC000058416303 373657085 /nfs/dbraw/zinc/65/70/85/373657085.db2.gz INYYAGRXPALGNB-INIZCTEOSA-N 1 0 285.391 2.904 50 0 CFAARO O=C(NC1CC[NH+](CC2CCCC2)CC1)C1CCCC1 ZINC000058018828 373622859 /nfs/dbraw/zinc/62/28/59/373622859.db2.gz AYGNODNLNVIVGC-UHFFFAOYSA-N 1 0 278.440 2.947 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000058210799 373633400 /nfs/dbraw/zinc/63/34/00/373633400.db2.gz HAWAXXLQJHYCCT-CQSZACIVSA-N 1 0 299.418 2.557 50 0 CFAARO Cc1ccc(CNC(=[NH2+])NCc2ccccc2)s1 ZINC000058329436 373647084 /nfs/dbraw/zinc/64/70/84/373647084.db2.gz WZHVRWYYDGQIMU-UHFFFAOYSA-N 1 0 259.378 2.871 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2s1 ZINC000058391586 373652920 /nfs/dbraw/zinc/65/29/20/373652920.db2.gz SNHAJCRHONSZSF-GFCCVEGCSA-N 1 0 274.389 2.725 50 0 CFAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)CN2 ZINC000058381154 373653265 /nfs/dbraw/zinc/65/32/65/373653265.db2.gz PNMNEOPWTUXSCD-RDTXWAMCSA-N 1 0 296.418 2.974 50 0 CFAARO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000057622594 373604460 /nfs/dbraw/zinc/60/44/60/373604460.db2.gz FGSSSGKYTVAXKL-HNNXBMFYSA-N 1 0 259.353 2.967 50 0 CFAARO CCOCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000057621094 373605045 /nfs/dbraw/zinc/60/50/45/373605045.db2.gz YJCVDRMYWSMIKJ-OAHLLOKOSA-N 1 0 279.380 2.877 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180964 373679219 /nfs/dbraw/zinc/67/92/19/373679219.db2.gz JBQOYQVUEWFWMY-LLVKDONJSA-N 1 0 278.425 2.815 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCSC2)cc1OC ZINC000061571639 373721848 /nfs/dbraw/zinc/72/18/48/373721848.db2.gz IOGFHRIYDRXZQP-LBPRGKRZSA-N 1 0 267.394 2.689 50 0 CFAARO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000062161023 373754069 /nfs/dbraw/zinc/75/40/69/373754069.db2.gz DKMHZZBONYSPOO-OAHLLOKOSA-N 1 0 290.407 2.600 50 0 CFAARO c1cnn(CC[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000064142278 373819560 /nfs/dbraw/zinc/81/95/60/373819560.db2.gz IJJPPWVQZWDQIK-UHFFFAOYSA-N 1 0 259.353 2.921 50 0 CFAARO C[NH2+]CC1CCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000063159473 373789086 /nfs/dbraw/zinc/78/90/86/373789086.db2.gz CQYDLLMPHMYMCR-UHFFFAOYSA-N 1 0 284.762 2.551 50 0 CFAARO C[C@@H](CC(C)(C)O)[NH2+]CCCc1nc2ccccc2n1C ZINC000065499205 373879403 /nfs/dbraw/zinc/87/94/03/373879403.db2.gz NMZGLTSFYBAVEL-ZDUSSCGKSA-N 1 0 289.423 2.645 50 0 CFAARO OCC1([NH2+]Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000065505106 373879726 /nfs/dbraw/zinc/87/97/26/373879726.db2.gz JTAYJOPXAKUPSR-UHFFFAOYSA-N 1 0 290.190 2.625 50 0 CFAARO Cc1[nH+]c(N(C)C)nc(N[C@@H](C)Cc2cccnc2)c1C ZINC000065508894 373882655 /nfs/dbraw/zinc/88/26/55/373882655.db2.gz IOKNRNOABZCVHN-NSHDSACASA-N 1 0 285.395 2.598 50 0 CFAARO C(=C/c1ccccc1)\CN1CC[NH+](CC2CC2)CC1 ZINC000065564724 373886961 /nfs/dbraw/zinc/88/69/61/373886961.db2.gz MXFYHMKEEKGKCR-QPJJXVBHSA-N 1 0 256.393 2.727 50 0 CFAARO Clc1cccc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000065554384 373887878 /nfs/dbraw/zinc/88/78/78/373887878.db2.gz SHTGXESRBVSGNN-UHFFFAOYSA-N 1 0 250.773 2.620 50 0 CFAARO CC[NH+]1CCC(CNC(=O)Nc2cccc(F)c2)CC1 ZINC000065576430 373889663 /nfs/dbraw/zinc/88/96/63/373889663.db2.gz SQVNMYWUALXUMR-UHFFFAOYSA-N 1 0 279.359 2.679 50 0 CFAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H](C)c1ccc(C)s1)CN2 ZINC000065623796 373895307 /nfs/dbraw/zinc/89/53/07/373895307.db2.gz FCSNDHOAHPTAEO-STQMWFEESA-N 1 0 290.436 2.954 50 0 CFAARO C[C@@H](CNC(=O)c1ccccc1Oc1cccnc1)[NH+](C)C ZINC000065626810 373898231 /nfs/dbraw/zinc/89/82/31/373898231.db2.gz NQMBLNRYRHOHOX-ZDUSSCGKSA-N 1 0 299.374 2.554 50 0 CFAARO CCc1ncc(C(=O)NCC[NH+](C(C)C)C(C)C)s1 ZINC000065105540 373843431 /nfs/dbraw/zinc/84/34/31/373843431.db2.gz IEPDGBGOYKOXLR-UHFFFAOYSA-N 1 0 283.441 2.554 50 0 CFAARO CCCn1cnnc1[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000065287929 373852743 /nfs/dbraw/zinc/85/27/43/373852743.db2.gz SSQVULFWLFXTGG-AWEZNQCLSA-N 1 0 274.368 2.661 50 0 CFAARO Cc1noc(C)c1C[N@H+](C)C[C@H]1CCOC(C)(C)C1 ZINC000065394657 373863209 /nfs/dbraw/zinc/86/32/09/373863209.db2.gz OIJVOKCOYPVZHI-ZDUSSCGKSA-N 1 0 266.385 2.928 50 0 CFAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1cc(C)c(C)cc1C ZINC000065393524 373864287 /nfs/dbraw/zinc/86/42/87/373864287.db2.gz SVHUVXWVNXQNDL-CQSZACIVSA-N 1 0 262.397 2.568 50 0 CFAARO CCc1cnc(C)nc1N(C)C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000065406809 373868427 /nfs/dbraw/zinc/86/84/27/373868427.db2.gz VWXFDTIFQXBQOX-AWEZNQCLSA-N 1 0 276.428 2.514 50 0 CFAARO C[C@H]([NH2+]C1CCSCC1)c1ccc(-n2cncn2)cc1 ZINC000065429137 373870601 /nfs/dbraw/zinc/87/06/01/373870601.db2.gz FKQANQAVTGUGGO-LBPRGKRZSA-N 1 0 288.420 2.814 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@@H](C)CC(C)(C)OC)c1C ZINC000065435935 373872549 /nfs/dbraw/zinc/87/25/49/373872549.db2.gz DJRKCMYEYYHDMM-NSHDSACASA-N 1 0 267.417 2.813 50 0 CFAARO C[C@@H](c1nccs1)N(C)C(=O)C[NH+]1CCCCCC1 ZINC000065451195 373873349 /nfs/dbraw/zinc/87/33/49/373873349.db2.gz CZZYIELFLRLMAS-LBPRGKRZSA-N 1 0 281.425 2.539 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000065464456 373874968 /nfs/dbraw/zinc/87/49/68/373874968.db2.gz DMKGBINGVZRDQR-AWEZNQCLSA-N 1 0 275.327 2.861 50 0 CFAARO CCOC(=O)N1CCC([N@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000065465496 373875847 /nfs/dbraw/zinc/87/58/47/373875847.db2.gz MHQCTOWYDRRJSL-ZDUSSCGKSA-N 1 0 291.395 2.695 50 0 CFAARO C[N@@H+]1CC[C@@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000066653128 373944105 /nfs/dbraw/zinc/94/41/05/373944105.db2.gz UFZYQLWOSVSQCD-LBPRGKRZSA-N 1 0 292.448 2.699 50 0 CFAARO CN1CCC[C@]2(CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)C1=O ZINC000067727247 373997383 /nfs/dbraw/zinc/99/73/83/373997383.db2.gz PNFAZRIHGYDEIX-GOSISDBHSA-N 1 0 297.402 2.612 50 0 CFAARO C[NH2+]Cc1cc(-c2ccccc2CO)ccc1OC ZINC000067757100 373998680 /nfs/dbraw/zinc/99/86/80/373998680.db2.gz YSSKIBVQORLJRI-UHFFFAOYSA-N 1 0 257.333 2.574 50 0 CFAARO CCCC[C@H]1C=CC[N@@H+]1Cc1c(O)c(C)ncc1CO ZINC000067821173 374006873 /nfs/dbraw/zinc/00/68/73/374006873.db2.gz BGGJJNMSIZAAPX-AWEZNQCLSA-N 1 0 276.380 2.519 50 0 CFAARO CCn1cc(C[NH2+][C@H](C)Cc2ccc(C)cc2)cn1 ZINC000067981730 374017060 /nfs/dbraw/zinc/01/70/60/374017060.db2.gz AOULXUPYRUFCSM-CQSZACIVSA-N 1 0 257.381 2.932 50 0 CFAARO Cc1nc(C2CC[NH2+]CC2)n(-c2cc(C)ccc2C)n1 ZINC000067473447 373981936 /nfs/dbraw/zinc/98/19/36/373981936.db2.gz RSVCHIXZECOEDV-UHFFFAOYSA-N 1 0 270.380 2.660 50 0 CFAARO CCNC(=O)c1ccnc(Oc2ccccc2C[NH+](C)C)c1 ZINC000067673675 373989354 /nfs/dbraw/zinc/98/93/54/373989354.db2.gz KSJNBRWGXCEJFH-UHFFFAOYSA-N 1 0 299.374 2.685 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CC[C@H](CNC(=O)c2cncs2)C1 ZINC000067675538 373990212 /nfs/dbraw/zinc/99/02/12/373990212.db2.gz GFTRIQPRFWWMPX-YKAQBRKTSA-N 1 0 293.436 2.551 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000069616501 374078965 /nfs/dbraw/zinc/07/89/65/374078965.db2.gz QWYOTPGLUBJPNG-CABCVRRESA-N 1 0 264.413 2.652 50 0 CFAARO Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]3c3ccc[nH]3)cc12 ZINC000069161150 374049492 /nfs/dbraw/zinc/04/94/92/374049492.db2.gz WOXGLHGXYMTJSU-INIZCTEOSA-N 1 0 295.390 2.942 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000069490198 374068063 /nfs/dbraw/zinc/06/80/63/374068063.db2.gz MSTXAYVSHVEGNV-GFCCVEGCSA-N 1 0 299.378 2.661 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2c(C)noc2C)c1 ZINC000069493101 374068197 /nfs/dbraw/zinc/06/81/97/374068197.db2.gz YFXMUPUDFJRLFP-ZYHUDNBSSA-N 1 0 262.357 2.536 50 0 CFAARO CC[N@H+](Cc1ccc(C(=O)N(C)OC)cc1)C(C)C ZINC000069565641 374074556 /nfs/dbraw/zinc/07/45/56/374074556.db2.gz FHATXBSJOXMJAS-UHFFFAOYSA-N 1 0 264.369 2.550 50 0 CFAARO C[C@H](CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)n1cccc1 ZINC000069569049 374075039 /nfs/dbraw/zinc/07/50/39/374075039.db2.gz DWKVCBYVJXQVEZ-OWCLPIDISA-N 1 0 289.423 2.524 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2csc(C)n2)c1 ZINC000069560284 374075200 /nfs/dbraw/zinc/07/52/00/374075200.db2.gz FUHAIOKKQOZGKK-QWRGUYRKSA-N 1 0 264.398 2.696 50 0 CFAARO CC(C)[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H](C)O ZINC000069900613 374109459 /nfs/dbraw/zinc/10/94/59/374109459.db2.gz AIVICZMIZQDHHR-LBPRGKRZSA-N 1 0 298.814 2.760 50 0 CFAARO Cc1cnn(CC[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000069922588 374110030 /nfs/dbraw/zinc/11/00/30/374110030.db2.gz BNXNKQOTBPMJDY-LLVKDONJSA-N 1 0 265.307 2.821 50 0 CFAARO COCCN1CC[N@@H+]([C@@H](C)CCc2ccccc2)C[C@@H]1C ZINC000069976743 374114109 /nfs/dbraw/zinc/11/41/09/374114109.db2.gz WVOWAMIWMAHPIN-IRXDYDNUSA-N 1 0 290.451 2.660 50 0 CFAARO COc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1OC ZINC000070070290 374119971 /nfs/dbraw/zinc/11/99/71/374119971.db2.gz ZIXJRJBICBVIBJ-AWEZNQCLSA-N 1 0 285.343 2.927 50 0 CFAARO Cc1cc(CN2CCC[C@H]([NH+]3CCCCCC3)C2)on1 ZINC000069655603 374083638 /nfs/dbraw/zinc/08/36/38/374083638.db2.gz VCYUGAAEZJPUFA-HNNXBMFYSA-N 1 0 277.412 2.823 50 0 CFAARO Cc1ccsc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069667702 374085830 /nfs/dbraw/zinc/08/58/30/374085830.db2.gz IOVKTXOJMHETEC-STQMWFEESA-N 1 0 278.421 2.755 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000069818305 374102303 /nfs/dbraw/zinc/10/23/03/374102303.db2.gz SUTGPXWJDWWWHH-UONOGXRCSA-N 1 0 289.427 2.882 50 0 CFAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC000069876090 374104432 /nfs/dbraw/zinc/10/44/32/374104432.db2.gz CYCIKKDHUXBJHH-CYBMUJFWSA-N 1 0 296.374 2.691 50 0 CFAARO [NH3+]CCC1CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000070187932 374143111 /nfs/dbraw/zinc/14/31/11/374143111.db2.gz SJSFYOJLPGFOJE-UHFFFAOYSA-N 1 0 283.322 2.558 50 0 CFAARO Cc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000070603197 374199424 /nfs/dbraw/zinc/19/94/24/374199424.db2.gz VKBGYXVUWLHMFN-HOCLYGCPSA-N 1 0 274.408 2.779 50 0 CFAARO CC(C)c1ccc(CSc2nnc(C[NH3+])n2C)cc1 ZINC000071373748 374217363 /nfs/dbraw/zinc/21/73/63/374217363.db2.gz QZUFUGXQTJQGFL-UHFFFAOYSA-N 1 0 276.409 2.690 50 0 CFAARO Cc1c(C)c2ccccc2nc1C[C@@H](O)C[NH2+]C(C)C ZINC000071771748 374221794 /nfs/dbraw/zinc/22/17/94/374221794.db2.gz ZUPAXDYLHNIRBC-CQSZACIVSA-N 1 0 272.392 2.753 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNCc2c[nH]nc2C(C)(C)C)C1 ZINC000071837281 374227314 /nfs/dbraw/zinc/22/73/14/374227314.db2.gz ZVJRQTRVZLVVTM-CYBMUJFWSA-N 1 0 278.444 2.527 50 0 CFAARO CN(Cc1ccc(CCC(C)(C)O)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000072481487 374255349 /nfs/dbraw/zinc/25/53/49/374255349.db2.gz WZJQKQHDZPBAIA-QGZVFWFLSA-N 1 0 290.451 2.526 50 0 CFAARO Cn1ncc(CN2CCCC[C@H]2CC[NH+](C)C)c1C1CC1 ZINC000072469528 374255653 /nfs/dbraw/zinc/25/56/53/374255653.db2.gz IEMQUNOPRICKRA-INIZCTEOSA-N 1 0 290.455 2.604 50 0 CFAARO C[N@@H+]1CCC[C@H](c2ccc(Br)cn2)C1 ZINC000072343671 374246257 /nfs/dbraw/zinc/24/62/57/374246257.db2.gz ZFGBADIVZVYYDX-VIFPVBQESA-N 1 0 255.159 2.653 50 0 CFAARO Cc1cc(C[NH2+]C2CCN(C)CC2)ccc1Br ZINC000073852486 374393027 /nfs/dbraw/zinc/39/30/27/374393027.db2.gz DSTJNKCTGJOYDP-UHFFFAOYSA-N 1 0 297.240 2.941 50 0 CFAARO CC1CC[NH+](CCCCNC(=O)/C=C\c2ccc[nH]2)CC1 ZINC000491992619 246150895 /nfs/dbraw/zinc/15/08/95/246150895.db2.gz VAYJODGCPFFBEX-SREVYHEPSA-N 1 0 289.423 2.656 50 0 CFAARO COc1ccc(CC[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000075118806 374459339 /nfs/dbraw/zinc/45/93/39/374459339.db2.gz SGNCLPWYVXMWAZ-MRXNPFEDSA-N 1 0 299.418 2.851 50 0 CFAARO Cn1cc(CCC[N@H+](C[C@@H](O)c2ccccc2)C2CC2)cn1 ZINC000075140796 374460726 /nfs/dbraw/zinc/46/07/26/374460726.db2.gz RQUHCZHDBSGSCB-GOSISDBHSA-N 1 0 299.418 2.551 50 0 CFAARO CC(C)c1ncc2c(n1)C[N@@H+](CCc1ccccn1)CC2 ZINC000075133713 374462333 /nfs/dbraw/zinc/46/23/33/374462333.db2.gz VBPAJHSRFBJUPV-UHFFFAOYSA-N 1 0 282.391 2.596 50 0 CFAARO CCOc1ccc2nc(NCC[NH+](C)C)sc2c1 ZINC000075172841 374466691 /nfs/dbraw/zinc/46/66/91/374466691.db2.gz FAWPFMFGLLYPRT-UHFFFAOYSA-N 1 0 265.382 2.669 50 0 CFAARO CC[C@@H](O)C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000075748342 374501578 /nfs/dbraw/zinc/50/15/78/374501578.db2.gz HFFRCPGMPGSXHK-ZIAGYGMSSA-N 1 0 251.395 2.547 50 0 CFAARO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2cncn2)o1 ZINC000076145202 374535348 /nfs/dbraw/zinc/53/53/48/374535348.db2.gz ZZMOXGTWEAPLSJ-ZFWWWQNUSA-N 1 0 288.395 2.907 50 0 CFAARO CN1[C@H](Cc2ccccc2)C[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000077010764 374560081 /nfs/dbraw/zinc/56/00/81/374560081.db2.gz POMBAUUTDFDJDN-IXDOHACOSA-N 1 0 258.409 2.834 50 0 CFAARO COc1ccsc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000078966883 374578414 /nfs/dbraw/zinc/57/84/14/374578414.db2.gz PTZIXAWWTAQVCA-UHFFFAOYSA-N 1 0 298.452 2.995 50 0 CFAARO C[C@H]1C[C@@H](NCc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338436 374650897 /nfs/dbraw/zinc/65/08/97/374650897.db2.gz YNSJKKNVCACIEU-HOCLYGCPSA-N 1 0 284.407 2.552 50 0 CFAARO COc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000083953156 374759347 /nfs/dbraw/zinc/75/93/47/374759347.db2.gz FRHJZMAVZXGLFG-HNNXBMFYSA-N 1 0 292.398 2.752 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@@H](CCO)C2)c(Cl)c1 ZINC000083927834 374759427 /nfs/dbraw/zinc/75/94/27/374759427.db2.gz CXEMLBWIIIXIRP-NSHDSACASA-N 1 0 269.772 2.553 50 0 CFAARO Cn1cnnc1CC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000082109142 374726239 /nfs/dbraw/zinc/72/62/39/374726239.db2.gz FEAFSDOAMRDHCN-VMPITWQZSA-N 1 0 296.418 2.783 50 0 CFAARO CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)[NH+](C)C ZINC000084718756 374787967 /nfs/dbraw/zinc/78/79/67/374787967.db2.gz CDPCPWXZPSNJQY-GFCCVEGCSA-N 1 0 254.761 2.927 50 0 CFAARO COc1ccc(CC[NH2+][C@H](C)c2c[nH]nc2C)cc1OC ZINC000089544455 374921924 /nfs/dbraw/zinc/92/19/24/374921924.db2.gz UAPQDQFDCPCTOJ-LLVKDONJSA-N 1 0 289.379 2.629 50 0 CFAARO c1cnn(CCCCC[N@@H+]2CCOc3ccccc3C2)c1 ZINC000089865488 374960998 /nfs/dbraw/zinc/96/09/98/374960998.db2.gz VEJLIAVXGNRGJT-UHFFFAOYSA-N 1 0 285.391 2.948 50 0 CFAARO Cn1ccnc1C[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000090003984 374983594 /nfs/dbraw/zinc/98/35/94/374983594.db2.gz DMFDDORSJNNVBX-AWEZNQCLSA-N 1 0 289.448 2.979 50 0 CFAARO C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)[S@](C)=O ZINC000090518005 375019485 /nfs/dbraw/zinc/01/94/85/375019485.db2.gz VZPMYKGIYHGDSO-VGTOOOLASA-N 1 0 257.374 2.633 50 0 CFAARO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(F)c1 ZINC000090518004 375020394 /nfs/dbraw/zinc/02/03/94/375020394.db2.gz VZPMYKGIYHGDSO-PSVSLLHZSA-N 1 0 257.374 2.633 50 0 CFAARO C[N@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCSC1 ZINC000089939161 374972520 /nfs/dbraw/zinc/97/25/20/374972520.db2.gz AFXIQPBMOQAQQE-JTQLQIEISA-N 1 0 266.341 2.904 50 0 CFAARO O=C1CC[C@]2(CCC[N@@H+](CCCCCF)C2)CN1C1CC1 ZINC000091476753 375050834 /nfs/dbraw/zinc/05/08/34/375050834.db2.gz TZZMIISUHALAND-KRWDZBQOSA-N 1 0 296.430 2.993 50 0 CFAARO Cc1ccc(C[NH+]2CCC(n3cncn3)CC2)c(C)c1 ZINC000092647917 375132370 /nfs/dbraw/zinc/13/23/70/375132370.db2.gz JHHQMFUATMGLQN-UHFFFAOYSA-N 1 0 270.380 2.732 50 0 CFAARO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000092540684 375121804 /nfs/dbraw/zinc/12/18/04/375121804.db2.gz KWPBYZTUQVPKLB-TXEJJXNPSA-N 1 0 278.421 2.971 50 0 CFAARO Cc1cc(C[N@@H+]2CCC[C@](C)(CO)C2)ccc1F ZINC000093340806 375220372 /nfs/dbraw/zinc/22/03/72/375220372.db2.gz NCBOPJOPJQZHLW-HNNXBMFYSA-N 1 0 251.345 2.729 50 0 CFAARO CCOCC1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000093394408 375228902 /nfs/dbraw/zinc/22/89/02/375228902.db2.gz SOUQKKOIHSJNMN-UHFFFAOYSA-N 1 0 290.407 2.894 50 0 CFAARO CCCn1c2ccccc2nc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000093839859 375318474 /nfs/dbraw/zinc/31/84/74/375318474.db2.gz AMBIBMSRWSXHIZ-AWEZNQCLSA-N 1 0 287.407 2.915 50 0 CFAARO CC(C)Cc1ncc(C[N@H+](C)C[C@H]2CCOC2)s1 ZINC000093840457 375321434 /nfs/dbraw/zinc/32/14/34/375321434.db2.gz HLMDLOWOHLMVGG-GFCCVEGCSA-N 1 0 268.426 2.810 50 0 CFAARO CSC[C@H](C)[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000093558130 375265931 /nfs/dbraw/zinc/26/59/31/375265931.db2.gz LVTZPYHXQXDJHP-NSHDSACASA-N 1 0 266.410 2.828 50 0 CFAARO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000094754048 375376341 /nfs/dbraw/zinc/37/63/41/375376341.db2.gz IZWBBRWUXJWPBI-LSDHHAIUSA-N 1 0 264.413 2.543 50 0 CFAARO Cn1cc(CC[N@H+](C)C[C@@H]2CCOc3ccccc3C2)cn1 ZINC000095499169 375461594 /nfs/dbraw/zinc/46/15/94/375461594.db2.gz CNWUYJRDXZWHMT-OAHLLOKOSA-N 1 0 299.418 2.536 50 0 CFAARO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000095988224 375465226 /nfs/dbraw/zinc/46/52/26/375465226.db2.gz YCTWZOQCTDRTSM-RISCZKNCSA-N 1 0 266.360 2.668 50 0 CFAARO CC1(C)CC(Cc2nc([C@H]3CCOC3)no2)CC(C)(C)[NH2+]1 ZINC000096167000 375473521 /nfs/dbraw/zinc/47/35/21/375473521.db2.gz LUWIIYKJSHKPEQ-LBPRGKRZSA-N 1 0 293.411 2.673 50 0 CFAARO CCOCC[N@@H+]1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095362955 375422058 /nfs/dbraw/zinc/42/20/58/375422058.db2.gz MEOTXHHLDLNYJS-CQSZACIVSA-N 1 0 265.401 2.680 50 0 CFAARO CC(C)OCCC[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095390397 375428247 /nfs/dbraw/zinc/42/82/47/375428247.db2.gz QNTOSVCKBWKLOQ-UHFFFAOYSA-N 1 0 292.354 2.572 50 0 CFAARO OC[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000095410521 375434515 /nfs/dbraw/zinc/43/45/15/375434515.db2.gz MACTVPTUGKRJCI-AEFFLSMTSA-N 1 0 299.418 2.903 50 0 CFAARO C[NH+](C)CCCOc1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000095411762 375435795 /nfs/dbraw/zinc/43/57/95/375435795.db2.gz MJQSLHQTVNCYIU-UHFFFAOYSA-N 1 0 293.411 2.937 50 0 CFAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2cccnc2)c1 ZINC000095422446 375441219 /nfs/dbraw/zinc/44/12/19/375441219.db2.gz VLYHRRYAVRIBIX-CYBMUJFWSA-N 1 0 299.374 2.770 50 0 CFAARO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000095421206 375441415 /nfs/dbraw/zinc/44/14/15/375441415.db2.gz KKKMTANBOGKWRZ-MNOVXSKESA-N 1 0 294.786 2.679 50 0 CFAARO COC[C@H](C)[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000095423747 375442397 /nfs/dbraw/zinc/44/23/97/375442397.db2.gz PXICQEMPLYMDRE-CMPLNLGQSA-N 1 0 265.378 2.559 50 0 CFAARO O[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)c1ccsc1 ZINC000095422942 375442433 /nfs/dbraw/zinc/44/24/33/375442433.db2.gz XCMCDJOHDACUJP-HOTGVXAUSA-N 1 0 273.401 2.929 50 0 CFAARO Cc1cccc([C@H](C)C[NH2+][C@H](C)CCn2cncn2)c1 ZINC000095423087 375442454 /nfs/dbraw/zinc/44/24/54/375442454.db2.gz BZVDIAQLQZVTAA-HUUCEWRRSA-N 1 0 272.396 2.758 50 0 CFAARO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000095426363 375443455 /nfs/dbraw/zinc/44/34/55/375443455.db2.gz PAPBWLBFFVLBHD-KBPBESRZSA-N 1 0 288.439 2.695 50 0 CFAARO CC(C)(CO)[C@@H](C[NH2+]Cc1ccccn1)c1ccccc1 ZINC000095431279 375446560 /nfs/dbraw/zinc/44/65/60/375446560.db2.gz VNHVBMWAWOUKNG-KRWDZBQOSA-N 1 0 284.403 2.974 50 0 CFAARO O=C(C[NH2+]C1CC1)Nc1cc(CCc2ccccc2)ccn1 ZINC000095435584 375448228 /nfs/dbraw/zinc/44/82/28/375448228.db2.gz SBSSZSQQJWSIIO-UHFFFAOYSA-N 1 0 295.386 2.557 50 0 CFAARO Cc1nc([C@H]2CC[C@@H]([NH3+])C2)n(Cc2cccc(Cl)c2)n1 ZINC000096162440 375472300 /nfs/dbraw/zinc/47/23/00/375472300.db2.gz FKNFSUFSOXMZSQ-GXTWGEPZSA-N 1 0 290.798 2.883 50 0 CFAARO Fc1cc(N2CC[C@@H]([NH2+]Cc3ncc[nH]3)C2)ccc1Cl ZINC000095448950 375453813 /nfs/dbraw/zinc/45/38/13/375453813.db2.gz WYXBJBZNLVEUPB-SNVBAGLBSA-N 1 0 294.761 2.571 50 0 CFAARO COc1ccccc1Oc1ccc(C[NH2+]C2COC2)cc1 ZINC000095451004 375454917 /nfs/dbraw/zinc/45/49/17/375454917.db2.gz ITLHGLCKCDBYKQ-UHFFFAOYSA-N 1 0 285.343 2.976 50 0 CFAARO C[C@H](OC(=O)c1ccn2c[nH+]cc2c1)c1nccs1 ZINC000095455092 375454974 /nfs/dbraw/zinc/45/49/74/375454974.db2.gz PVUMDKPHTQADLG-VIFPVBQESA-N 1 0 273.317 2.709 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000097159472 375533538 /nfs/dbraw/zinc/53/35/38/375533538.db2.gz NKEKLYCPPJBSMA-AWEZNQCLSA-N 1 0 255.365 2.928 50 0 CFAARO CC[N@@H+]1CC[C@H](Nc2cccc3c2OCCO3)[C@H](C)C1 ZINC000097162703 375535830 /nfs/dbraw/zinc/53/58/30/375535830.db2.gz AIJCHPNYHMWZHA-OLZOCXBDSA-N 1 0 276.380 2.600 50 0 CFAARO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000097200933 375539063 /nfs/dbraw/zinc/53/90/63/375539063.db2.gz HKIUJIPKTPMTSV-INIZCTEOSA-N 1 0 282.391 2.719 50 0 CFAARO C[N@H+](Cc1nc2ccccc2[nH]c1=O)C1CCCCC1 ZINC000097201023 375539314 /nfs/dbraw/zinc/53/93/14/375539314.db2.gz YLEKWOYIWOBYSN-UHFFFAOYSA-N 1 0 271.364 2.688 50 0 CFAARO c1n[nH]cc1C1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000097202760 375539583 /nfs/dbraw/zinc/53/95/83/375539583.db2.gz AUYOBKZEDGTBTD-UHFFFAOYSA-N 1 0 299.374 2.561 50 0 CFAARO OC[C@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230854 375542224 /nfs/dbraw/zinc/54/22/24/375542224.db2.gz CUGHMFSERFBZCK-ZDUSSCGKSA-N 1 0 294.826 2.754 50 0 CFAARO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCN2CCOC2=O)C1 ZINC000096441533 375486728 /nfs/dbraw/zinc/48/67/28/375486728.db2.gz JWIACOQJQILTOG-SWLSCSKDSA-N 1 0 292.354 2.661 50 0 CFAARO Cc1cccc([C@H](C)[NH2+]CCc2cnn(C)c2)c1C ZINC000097228288 375542672 /nfs/dbraw/zinc/54/26/72/375542672.db2.gz RFFYTFARFIHOPM-AWEZNQCLSA-N 1 0 257.381 2.930 50 0 CFAARO C[C@@H](Cc1ccsc1)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000096477183 375489061 /nfs/dbraw/zinc/48/90/61/375489061.db2.gz WDSJZQUNPNELRW-RYUDHWBXSA-N 1 0 252.427 2.751 50 0 CFAARO Cc1ccccc1[C@H]([NH2+]CC(=O)NC1CC1)C(C)C ZINC000096491717 375489348 /nfs/dbraw/zinc/48/93/48/375489348.db2.gz FYXQTLYZGOQQRL-MRXNPFEDSA-N 1 0 260.381 2.560 50 0 CFAARO Cc1cc(C[N@@H+](CCO)C2CCN(C)CC2)ccc1Cl ZINC000097236363 375543323 /nfs/dbraw/zinc/54/33/23/375543323.db2.gz LTWCLMPIOSJYHX-UHFFFAOYSA-N 1 0 296.842 2.537 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000097048984 375502565 /nfs/dbraw/zinc/50/25/65/375502565.db2.gz DRXSFCXBBDWFOS-CHWSQXEVSA-N 1 0 273.384 2.536 50 0 CFAARO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2csnn2)CCO1 ZINC000097048903 375503018 /nfs/dbraw/zinc/50/30/18/375503018.db2.gz MNQTVNFIXCUHCV-AAEUAGOBSA-N 1 0 269.414 2.612 50 0 CFAARO C[N@H+](CCc1ccncc1)C[C@@H](O)c1c(F)cccc1F ZINC000097051134 375504100 /nfs/dbraw/zinc/50/41/00/375504100.db2.gz YCNTVJULCGETJM-OAHLLOKOSA-N 1 0 292.329 2.568 50 0 CFAARO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000097081032 375508815 /nfs/dbraw/zinc/50/88/15/375508815.db2.gz DGRJVBXOWMOTNQ-UONOGXRCSA-N 1 0 295.452 2.659 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000097096422 375516224 /nfs/dbraw/zinc/51/62/24/375516224.db2.gz QVJWLKXCBCVMEN-KBPBESRZSA-N 1 0 264.417 2.911 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000097103597 375518248 /nfs/dbraw/zinc/51/82/48/375518248.db2.gz FCRCDAIKMQHXOG-HUUCEWRRSA-N 1 0 285.395 2.680 50 0 CFAARO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCC(C)(C)C ZINC000097103963 375520070 /nfs/dbraw/zinc/52/00/70/375520070.db2.gz JVSCUTUXGOMOSW-NSHDSACASA-N 1 0 251.418 2.994 50 0 CFAARO C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCCO1 ZINC000097244180 375544809 /nfs/dbraw/zinc/54/48/09/375544809.db2.gz QWDCFRGCSXQIAJ-CYBMUJFWSA-N 1 0 271.364 2.688 50 0 CFAARO O=Cc1c(F)cccc1N1CCN(Cc2ccccc2)CC1 ZINC000097848818 375585685 /nfs/dbraw/zinc/58/56/85/375585685.db2.gz JWQUOAVDCIQLCK-UHFFFAOYSA-N 1 0 298.361 2.960 50 0 CFAARO C[C@H](C[NH+]1CCC(c2nnc[nH]2)CC1)c1ccccc1 ZINC000097307402 375548303 /nfs/dbraw/zinc/54/83/03/375548303.db2.gz DBDNLRXQZHIZNG-CYBMUJFWSA-N 1 0 270.380 2.788 50 0 CFAARO CNC(=O)c1ccnc(-c2ccc([C@@H](C)[NH+](C)C)cc2)c1 ZINC000097495218 375566576 /nfs/dbraw/zinc/56/65/76/375566576.db2.gz MHPZGJASYQFIHY-GFCCVEGCSA-N 1 0 283.375 2.731 50 0 CFAARO CC(C)CC[N@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000097493242 375566681 /nfs/dbraw/zinc/56/66/81/375566681.db2.gz DEAWLUFTJRZCFD-AWEZNQCLSA-N 1 0 254.418 2.611 50 0 CFAARO C[C@H](Cc1cnccn1)[N@H+](C)CCc1ccccc1 ZINC000097515092 375568352 /nfs/dbraw/zinc/56/83/52/375568352.db2.gz ARBOYYAMJZPWNZ-CQSZACIVSA-N 1 0 255.365 2.582 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCCc1ccccc1F ZINC000097594846 375570187 /nfs/dbraw/zinc/57/01/87/375570187.db2.gz ZKXHKPWORVVVHG-MRXNPFEDSA-N 1 0 292.398 2.749 50 0 CFAARO Cc1ccc(-n2cc(CN3CCC[C@H](C[NH3+])C3)cn2)cc1C ZINC000097773077 375583608 /nfs/dbraw/zinc/58/36/08/375583608.db2.gz DFPGBPYMAYUQJM-MRXNPFEDSA-N 1 0 298.434 2.660 50 0 CFAARO COc1cccc(C[NH2+]CCCn2nc(C)cc2C)c1 ZINC000098078541 375600427 /nfs/dbraw/zinc/60/04/27/375600427.db2.gz PDTFVDMYPCRYCS-UHFFFAOYSA-N 1 0 273.380 2.688 50 0 CFAARO CCn1c2[n+](c3ccc(Cl)cc3c1=O)Cc1ccccc1-2 ZINC000100983172 375632371 /nfs/dbraw/zinc/63/23/71/375632371.db2.gz VWCBMQJVBCFEPT-UHFFFAOYSA-N 1 0 297.765 2.991 50 0 CFAARO CCCOC[n+]1ccn(Cc2ccccc2Cl)c1 ZINC000261492813 190039366 /nfs/dbraw/zinc/03/93/66/190039366.db2.gz FIODPJHEUPYLLQ-UHFFFAOYSA-N 1 0 265.764 2.861 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1c(C)cccc1C ZINC000264615888 190123204 /nfs/dbraw/zinc/12/32/04/190123204.db2.gz GVXILKKSRRXXBQ-CQSZACIVSA-N 1 0 275.396 2.909 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 ZINC000132411931 377837998 /nfs/dbraw/zinc/83/79/98/377837998.db2.gz GHNVCJXVIRTCJV-BQTOJVEASA-N 1 0 285.174 2.566 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(F)c(CSC)c2)C1 ZINC000133630038 377944839 /nfs/dbraw/zinc/94/48/39/377944839.db2.gz KBTNQBPSPJGOKA-CYBMUJFWSA-N 1 0 296.411 2.513 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3nc2C)C1 ZINC000133917389 377967603 /nfs/dbraw/zinc/96/76/03/377967603.db2.gz AOQCVYUZVWBDGW-OAHLLOKOSA-N 1 0 297.402 2.676 50 0 CFAARO CCOCc1cccc(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000137490966 378225349 /nfs/dbraw/zinc/22/53/49/378225349.db2.gz OVFIBSAARUAAGQ-UHFFFAOYSA-N 1 0 290.407 2.894 50 0 CFAARO Cc1ccc(N(Cc2ccccc2)C(=O)[C@H](C)[NH3+])cc1 ZINC000151360276 378320344 /nfs/dbraw/zinc/32/03/44/378320344.db2.gz DLWBAALIMGILFL-AWEZNQCLSA-N 1 0 268.360 2.875 50 0 CFAARO Cc1cc(CCCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)s1 ZINC000154275055 378554183 /nfs/dbraw/zinc/55/41/83/378554183.db2.gz TVIVTQXOYLOKAZ-TXEJJXNPSA-N 1 0 294.464 2.896 50 0 CFAARO [NH3+]CC[C@H]1CCCCN1C(=O)c1cccc(F)c1Cl ZINC000165350815 379037097 /nfs/dbraw/zinc/03/70/97/379037097.db2.gz OWWDRDHYMKZZCI-SNVBAGLBSA-N 1 0 284.762 2.823 50 0 CFAARO Cn1cc(CN2CCC[N@@H+]([C@H]3CCC(C)(C)C3)CC2)cn1 ZINC000334320532 379088079 /nfs/dbraw/zinc/08/80/79/379088079.db2.gz ZYONHUWJSFYLND-INIZCTEOSA-N 1 0 290.455 2.507 50 0 CFAARO Cc1ccc2ncc(CNc3ccc(F)cn3)n2c1 ZINC000170592330 379122471 /nfs/dbraw/zinc/12/24/71/379122471.db2.gz IWFKSKQTBVADOF-UHFFFAOYSA-N 1 0 256.284 2.789 50 0 CFAARO CC(C)COC[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000170599667 379125013 /nfs/dbraw/zinc/12/50/13/379125013.db2.gz PGFVWSUKTALBPE-STQMWFEESA-N 1 0 283.437 2.701 50 0 CFAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1F ZINC000170074668 379115719 /nfs/dbraw/zinc/11/57/19/379115719.db2.gz ILYWOVXECRDVIP-JBLDHEPKSA-N 1 0 253.292 2.552 50 0 CFAARO [NH3+]CCC(=O)N(CCc1ccccc1)c1ccccc1 ZINC000170673741 379138139 /nfs/dbraw/zinc/13/81/39/379138139.db2.gz MAPLBYDYQILYLY-UHFFFAOYSA-N 1 0 268.360 2.611 50 0 CFAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000048543937 412908418 /nfs/dbraw/zinc/90/84/18/412908418.db2.gz TXSBXAHMPGSIFX-KRWDZBQOSA-N 1 0 271.335 2.917 50 0 CFAARO Cc1nonc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268048647 190372754 /nfs/dbraw/zinc/37/27/54/190372754.db2.gz UAIQXCYEXSLKOW-GFCCVEGCSA-N 1 0 261.300 2.507 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC000178968084 380496824 /nfs/dbraw/zinc/49/68/24/380496824.db2.gz ABNSWEKOCWWNTF-CYBMUJFWSA-N 1 0 286.375 2.731 50 0 CFAARO NC(=[NH2+])SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000000137780 169550267 /nfs/dbraw/zinc/55/02/67/169550267.db2.gz FOAONBQCGRKHOS-UHFFFAOYSA-N 1 0 268.729 2.517 50 0 in-vitro CFAARO CCCN(CC[NH+]1CCCC1)C(=O)c1ccncc1Cl ZINC000287472154 380839397 /nfs/dbraw/zinc/83/93/97/380839397.db2.gz SMSXKUOPCOMYQS-UHFFFAOYSA-N 1 0 295.814 2.683 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000409420903 380958641 /nfs/dbraw/zinc/95/86/41/380958641.db2.gz BKBBFWUFIVTVMM-INIZCTEOSA-N 1 0 289.423 2.929 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000409421000 380959028 /nfs/dbraw/zinc/95/90/28/380959028.db2.gz VISOAPBWMFSNIL-CYBMUJFWSA-N 1 0 299.374 2.824 50 0 CFAARO CCOc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000000176156 169564814 /nfs/dbraw/zinc/56/48/14/169564814.db2.gz MNGWUMDHANPMRX-UHFFFAOYSA-N 1 0 276.380 2.900 50 0 CFAARO CCOC1CC2(C1)CC[N@H+](Cc1ccc3c[nH]nc3c1)C2 ZINC000289873368 381197595 /nfs/dbraw/zinc/19/75/95/381197595.db2.gz VVYSDISEGXUNBG-UHFFFAOYSA-N 1 0 285.391 2.954 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000348471936 381581292 /nfs/dbraw/zinc/58/12/92/381581292.db2.gz VWYFIAJFFFNVQW-MCIONIFRSA-N 1 0 273.442 2.793 50 0 CFAARO O=C(c1cccc(F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000000285072 169597211 /nfs/dbraw/zinc/59/72/11/169597211.db2.gz SWDVSOBUALJQTB-UHFFFAOYSA-N 1 0 290.382 2.916 50 0 CFAARO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)[C@@H]1C[NH3+] ZINC000299741480 382041433 /nfs/dbraw/zinc/04/14/33/382041433.db2.gz FEKWLICUHGASAC-MSQAHXEGSA-N 1 0 290.382 2.515 50 0 CFAARO [NH3+]C[C@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 ZINC000299782752 382045839 /nfs/dbraw/zinc/04/58/39/382045839.db2.gz GPXIULSJSNTBHF-CYBMUJFWSA-N 1 0 277.327 2.559 50 0 CFAARO COCC1(C[NH2+]Cc2cc(OC)ccc2F)CCC1 ZINC000293180452 382021670 /nfs/dbraw/zinc/02/16/70/382021670.db2.gz HDGJKTVRQIOLPA-UHFFFAOYSA-N 1 0 267.344 2.741 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000188372602 382401006 /nfs/dbraw/zinc/40/10/06/382401006.db2.gz BYKVKTSWYLABTG-RVPKQNPDSA-N 1 0 273.829 2.800 50 0 CFAARO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000188449494 382417811 /nfs/dbraw/zinc/41/78/11/382417811.db2.gz MWWHHDZPULCMKS-DLBZAZTESA-N 1 0 284.407 2.768 50 0 CFAARO CC(C)[NH+]1CCN(C2CC(OCc3ccccc3)C2)CC1 ZINC000328595693 382551401 /nfs/dbraw/zinc/55/14/01/382551401.db2.gz ATWXNXQLHLZNQB-UHFFFAOYSA-N 1 0 288.435 2.760 50 0 CFAARO O=C1OCCN1CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189313452 382590035 /nfs/dbraw/zinc/59/00/35/382590035.db2.gz AXDNOQXRSXXTSF-QWRGUYRKSA-N 1 0 294.317 2.539 50 0 CFAARO Cc1csc([C@@H](C)C[NH2+]Cc2cn(C(C)(C)C)nn2)n1 ZINC000191591453 382701513 /nfs/dbraw/zinc/70/15/13/382701513.db2.gz NOIFSLXHYHWKAG-JTQLQIEISA-N 1 0 293.440 2.691 50 0 CFAARO CC[NH+]1CCN(c2cccc(NCc3cccn3C)c2)CC1 ZINC000191883896 382703064 /nfs/dbraw/zinc/70/30/64/382703064.db2.gz JQVAIDNVMVRUGA-UHFFFAOYSA-N 1 0 298.434 2.779 50 0 CFAARO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000192709027 382711308 /nfs/dbraw/zinc/71/13/08/382711308.db2.gz JHGSRRKEWKZIDG-CYBMUJFWSA-N 1 0 275.392 2.747 50 0 CFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1 ZINC000192770739 382712179 /nfs/dbraw/zinc/71/21/79/382712179.db2.gz BUROFBSKYVBNLJ-INIZCTEOSA-N 1 0 291.354 2.743 50 0 CFAARO Cn1cc(Cl)cc1C[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000193065811 382715109 /nfs/dbraw/zinc/71/51/09/382715109.db2.gz RFDZLDOCUZOQQQ-CQSZACIVSA-N 1 0 286.803 2.654 50 0 CFAARO CC(=O)N1CCC(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193131778 382716341 /nfs/dbraw/zinc/71/63/41/382716341.db2.gz GOEBSPYLULVTBD-SWLSCSKDSA-N 1 0 266.429 2.659 50 0 CFAARO Cc1ccc(C[NH2+]CC2(CCO)CC2)cc1Cl ZINC000193737963 382723819 /nfs/dbraw/zinc/72/38/19/382723819.db2.gz BBMKZAWPVHZHBC-UHFFFAOYSA-N 1 0 253.773 2.901 50 0 CFAARO C[N@H+](CC(=O)NCCCOC1CCCCC1)C1CCCC1 ZINC000194005377 382732312 /nfs/dbraw/zinc/73/23/12/382732312.db2.gz CXDCRWZPCQRFBA-UHFFFAOYSA-N 1 0 296.455 2.716 50 0 CFAARO CCn1cnnc1CN[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000195553487 382769435 /nfs/dbraw/zinc/76/94/35/382769435.db2.gz LCRYYLWUFUOCDB-MLGOLLRUSA-N 1 0 270.380 2.630 50 0 CFAARO CC[C@@H](NC(=O)C[NH+]1CCCCCCC1)c1ccncc1 ZINC000219614810 382794518 /nfs/dbraw/zinc/79/45/18/382794518.db2.gz JZFUBLDEJQTITQ-MRXNPFEDSA-N 1 0 289.423 2.915 50 0 CFAARO Cc1nc2ccccc2nc1C[N@@H+](C)C1CCOCC1 ZINC000215256790 382777875 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CCc1ccccc1C[NH+]1CCN(c2cccnc2)CC1 ZINC000216334761 382783201 /nfs/dbraw/zinc/78/32/01/382783201.db2.gz CZZNNMWDRPTTCG-UHFFFAOYSA-N 1 0 281.403 2.966 50 0 CFAARO Cc1noc(C)c1CN(C)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000216417257 382783432 /nfs/dbraw/zinc/78/34/32/382783432.db2.gz XDNVYWIHYWDLPD-UHFFFAOYSA-N 1 0 285.391 2.869 50 0 CFAARO CN(C)c1ccc(C[N@H+](C)CC[C@H](O)c2ccccc2)cn1 ZINC000216446486 382783687 /nfs/dbraw/zinc/78/36/87/382783687.db2.gz QTTJLNXDWPGXPO-KRWDZBQOSA-N 1 0 299.418 2.703 50 0 CFAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)s1 ZINC000220216517 382795319 /nfs/dbraw/zinc/79/53/19/382795319.db2.gz LSIAXCILCONQHL-ZJUUUORDSA-N 1 0 284.812 2.710 50 0 CFAARO O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1c1nccs1 ZINC000221369192 382798399 /nfs/dbraw/zinc/79/83/99/382798399.db2.gz YVJQWQUFAGKOSD-ZDUSSCGKSA-N 1 0 293.436 2.683 50 0 CFAARO CCS[C@@H]1CC[C@]1(O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000221674803 382799254 /nfs/dbraw/zinc/79/92/54/382799254.db2.gz SGBFMTMLWVLWFE-MCIONIFRSA-N 1 0 255.427 2.579 50 0 CFAARO OCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000229093549 382850587 /nfs/dbraw/zinc/85/05/87/382850587.db2.gz FKACIXYDVJEAQW-LSDHHAIUSA-N 1 0 283.799 2.610 50 0 CFAARO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cncn1C ZINC000225386326 382814909 /nfs/dbraw/zinc/81/49/09/382814909.db2.gz DTYUKSLRACUYJT-NSHDSACASA-N 1 0 259.328 2.899 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1 ZINC000225406791 382815386 /nfs/dbraw/zinc/81/53/86/382815386.db2.gz PJHYIRNUXVYHOX-OLZOCXBDSA-N 1 0 288.370 2.726 50 0 CFAARO C[C@@H]([NH2+]Cc1ccccc1OCCO)c1ccsc1 ZINC000225480679 382816730 /nfs/dbraw/zinc/81/67/30/382816730.db2.gz VTAFZLXQBRWPMW-GFCCVEGCSA-N 1 0 277.389 2.970 50 0 CFAARO COC(=O)CC1([NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CCOCC1 ZINC000225515847 382817823 /nfs/dbraw/zinc/81/78/23/382817823.db2.gz LPHIVDCCDUGPHI-LSDHHAIUSA-N 1 0 295.423 2.681 50 0 CFAARO O=C(c1ccoc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687280 382820684 /nfs/dbraw/zinc/82/06/84/382820684.db2.gz 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/nfs/dbraw/zinc/98/00/83/382980083.db2.gz WDMKSHMULLGORP-MNOVXSKESA-N 1 0 256.143 2.628 50 0 CFAARO Cn1nccc1CC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000241466171 382983850 /nfs/dbraw/zinc/98/38/50/382983850.db2.gz NVFTWMLIRHOSIU-SFHVURJKSA-N 1 0 298.434 2.563 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC000242339064 382985741 /nfs/dbraw/zinc/98/57/41/382985741.db2.gz ZEPVHIXVTXQWKD-UBDQQSCGSA-N 1 0 288.435 2.573 50 0 CFAARO Cc1nc(CCN(C)C[C@H]2CC[N@H+](C)C2(C)C)cs1 ZINC000244646878 382989822 /nfs/dbraw/zinc/98/98/22/382989822.db2.gz GQTSUHOVRRIUEJ-CYBMUJFWSA-N 1 0 281.469 2.656 50 0 CFAARO CN(CCc1nc2ccccc2[nH]1)Cc1nccs1 ZINC000244794673 382992391 /nfs/dbraw/zinc/99/23/91/382992391.db2.gz QRIIFQDFFAMLPG-UHFFFAOYSA-N 1 0 272.377 2.694 50 0 CFAARO Cc1nnc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000245316823 382997648 /nfs/dbraw/zinc/99/76/48/382997648.db2.gz KRXPEHWZHYLIAU-MFKMUULPSA-N 1 0 275.327 2.895 50 0 CFAARO O=C([C@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000237790267 382971312 /nfs/dbraw/zinc/97/13/12/382971312.db2.gz APNQIONQZPVORK-RYUDHWBXSA-N 1 0 299.201 2.529 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)[C@@H]1CC2CCC1CC2 ZINC000585117082 383115077 /nfs/dbraw/zinc/11/50/77/383115077.db2.gz QMBNCJIFOVBFIS-HKKVPVCXSA-N 1 0 274.412 2.917 50 0 CFAARO c1nnc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)n1-c1ccccc1 ZINC000585117824 383115456 /nfs/dbraw/zinc/11/54/56/383115456.db2.gz YFYMOCCZERNGIX-QLFBSQMISA-N 1 0 282.391 2.793 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)c1cccnc1 ZINC000247942021 383201037 /nfs/dbraw/zinc/20/10/37/383201037.db2.gz NRNAWPNJVANNJB-XOKHGSTOSA-N 1 0 287.407 2.618 50 0 CFAARO OC[C@H]([C@@H]([NH2+]Cc1ccccc1F)C1CC1)C1CC1 ZINC000449514792 383349549 /nfs/dbraw/zinc/34/95/49/383349549.db2.gz YXFJSRWUZOLOEK-HOCLYGCPSA-N 1 0 263.356 2.712 50 0 CFAARO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cscn1)C(C)C ZINC000449510701 383346707 /nfs/dbraw/zinc/34/67/07/383346707.db2.gz LSRLTWANPOTKJH-STQMWFEESA-N 1 0 256.415 2.522 50 0 CFAARO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249081285 383324908 /nfs/dbraw/zinc/32/49/08/383324908.db2.gz ABPSUAUUAHMPAA-ZRUFSTJUSA-N 1 0 285.375 2.810 50 0 CFAARO C[C@]1(O)C[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)C[C@H]1O ZINC000252014566 383403729 /nfs/dbraw/zinc/40/37/29/383403729.db2.gz VAKBKORICCUVPK-QRVBRYPASA-N 1 0 297.398 2.746 50 0 CFAARO Cc1cnccc1CN(C)C(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000426641621 383407615 /nfs/dbraw/zinc/40/76/15/383407615.db2.gz XYKNKEBKRUIBNO-HNNXBMFYSA-N 1 0 289.423 2.613 50 0 CFAARO CC1(C)C[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C[C@H]1c1ccccc1 ZINC000426668274 383409067 /nfs/dbraw/zinc/40/90/67/383409067.db2.gz IASQXXYOJKRDKF-AWEZNQCLSA-N 1 0 299.374 2.513 50 0 CFAARO CSc1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])c1 ZINC000426734286 383411082 /nfs/dbraw/zinc/41/10/82/383411082.db2.gz KUDOVXCDTKZRBS-GNXNZQSNSA-N 1 0 291.420 2.610 50 0 CFAARO O=C1CCCN1CC[N@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000252487699 383412933 /nfs/dbraw/zinc/41/29/33/383412933.db2.gz IACZLKFIBGVHIU-INIZCTEOSA-N 1 0 290.382 2.975 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccco1 ZINC000249694647 383356959 /nfs/dbraw/zinc/35/69/59/383356959.db2.gz PKSJFPMRHJWCKP-JKSUJKDBSA-N 1 0 290.407 2.688 50 0 CFAARO CCc1ccc(CN2CC([N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000252500715 383413970 /nfs/dbraw/zinc/41/39/70/383413970.db2.gz TUNRPBGOPLDQCJ-CQSZACIVSA-N 1 0 273.424 2.703 50 0 CFAARO CCN1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000250220493 383374009 /nfs/dbraw/zinc/37/40/09/383374009.db2.gz DRVBCMIKNHMZNH-ZBFHGGJFSA-N 1 0 276.424 2.787 50 0 CFAARO CCSc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000253431727 383459692 /nfs/dbraw/zinc/45/96/92/383459692.db2.gz HZEBDIKSZSDKBX-ZDUSSCGKSA-N 1 0 264.394 2.879 50 0 CFAARO Cc1csc(C(=O)N2CC[C@H](Oc3ccncc3)C2)c1 ZINC000253473595 383461126 /nfs/dbraw/zinc/46/11/26/383461126.db2.gz WQKFRYLMJCIIBQ-ZDUSSCGKSA-N 1 0 288.372 2.745 50 0 CFAARO CCC(=O)N1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257179574 383489595 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ZINC000289357427 197310749 /nfs/dbraw/zinc/31/07/49/197310749.db2.gz GVKWFWSACJUPDB-INIZCTEOSA-N 1 0 273.380 2.975 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280348902 384984062 /nfs/dbraw/zinc/98/40/62/384984062.db2.gz IEGMFNHXAZMZLV-IIAWOOMASA-N 1 0 261.365 2.627 50 0 CFAARO O=C(c1ccc(Cl)s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289090104 197232597 /nfs/dbraw/zinc/23/25/97/197232597.db2.gz BMHRSULLMHDCCJ-ZDUSSCGKSA-N 1 0 284.812 2.617 50 0 CFAARO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000288567069 197113621 /nfs/dbraw/zinc/11/36/21/197113621.db2.gz AXSQPVCOUUYHFC-KBPBESRZSA-N 1 0 286.375 2.934 50 0 CFAARO COc1ccc([C@H](C)C[NH2+]C2(CO)CCCC2)cc1 ZINC000096494087 533157605 /nfs/dbraw/zinc/15/76/05/533157605.db2.gz FVXFQWZEAGDBPU-CYBMUJFWSA-N 1 0 263.381 2.693 50 0 CFAARO OC1(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000162597286 285239964 /nfs/dbraw/zinc/23/99/64/285239964.db2.gz RJDJLNDPZRNWSN-DLBZAZTESA-N 1 0 289.419 2.844 50 0 CFAARO O[C@@H](C[NH2+]C1CCCC1)COC12CC3CC(CC(C3)C1)C2 ZINC000010434707 285304660 /nfs/dbraw/zinc/30/46/60/285304660.db2.gz QOBPLQVGQQBALC-UUMMVJRDSA-N 1 0 293.451 2.865 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000521394150 256855225 /nfs/dbraw/zinc/85/52/25/256855225.db2.gz NQXIZMDQDUQHTP-FAYQHZLMSA-N 1 0 293.382 2.918 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648790 256868041 /nfs/dbraw/zinc/86/80/41/256868041.db2.gz RIJFNUHYNBVLOZ-UKTARXLSSA-N 1 0 284.359 2.655 50 0 CFAARO CCC1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC000095385673 184960194 /nfs/dbraw/zinc/96/01/94/184960194.db2.gz YWRROGNXIVOEBA-UHFFFAOYSA-N 1 0 252.402 2.557 50 0 CFAARO CCc1cnc(NCC2([NH+]3CCCC3)CCCC2)nc1 ZINC000095352787 184951559 /nfs/dbraw/zinc/95/15/59/184951559.db2.gz WMZYWKMNOBFLNL-UHFFFAOYSA-N 1 0 274.412 2.860 50 0 CFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1cnc3ccccc3n1)C2 ZINC000095390078 184963460 /nfs/dbraw/zinc/96/34/60/184963460.db2.gz YWRAULDSKRQJKH-HUUCEWRRSA-N 1 0 296.418 2.940 50 0 CFAARO COc1ccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)cc1 ZINC000095420560 184975291 /nfs/dbraw/zinc/97/52/91/184975291.db2.gz OGSFVHJTUPUMBU-BLLLJJGKSA-N 1 0 262.397 2.686 50 0 CFAARO CC(C)c1noc(CC[NH2+]CC2CCCCC2)n1 ZINC000095433996 184983443 /nfs/dbraw/zinc/98/34/43/184983443.db2.gz WHFYXHMNZDCNKZ-UHFFFAOYSA-N 1 0 251.374 2.905 50 0 CFAARO COc1cccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000002578333 533665473 /nfs/dbraw/zinc/66/54/73/533665473.db2.gz UGOAGCAVPCSLHF-KKUMJFAQSA-N 1 0 293.407 2.698 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000006007722 393462360 /nfs/dbraw/zinc/46/23/60/393462360.db2.gz DBEVPZXXAIKVSS-OKILXGFUSA-N 1 0 266.429 2.803 50 0 CFAARO CCn1cc([C@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)cn1 ZINC000012394316 393473622 /nfs/dbraw/zinc/47/36/22/393473622.db2.gz XTDXYLSDNXQCSZ-MRXNPFEDSA-N 1 0 296.374 2.628 50 0 CFAARO CSCc1cccc(C[NH2+]Cc2cncnc2)c1 ZINC000189476108 393572921 /nfs/dbraw/zinc/57/29/21/393572921.db2.gz FEWLACOZSUBRNT-UHFFFAOYSA-N 1 0 259.378 2.629 50 0 CFAARO C(C1CCC2(CC1)OCCO2)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000190191350 393578488 /nfs/dbraw/zinc/57/84/88/393578488.db2.gz KUKWPYSPMSHOFF-JKSUJKDBSA-N 1 0 295.423 2.563 50 0 CFAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H]1CCCc3ccccc31)CN2 ZINC000065625477 393632647 /nfs/dbraw/zinc/63/26/47/393632647.db2.gz ACWZHVJHFOWKIF-RHSMWYFYSA-N 1 0 296.418 2.900 50 0 CFAARO C[C@H]1CCCN(C(=O)c2ccccc2Cl)[C@H]1C[NH3+] ZINC000070543550 393638384 /nfs/dbraw/zinc/63/83/84/393638384.db2.gz FCGYGDKZRLLBSE-GWCFXTLKSA-N 1 0 266.772 2.539 50 0 CFAARO CC(C)[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CCOCC1 ZINC000077323793 393697164 /nfs/dbraw/zinc/69/71/64/393697164.db2.gz GOXLWVDPLJJINO-ZBFHGGJFSA-N 1 0 296.455 2.571 50 0 CFAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000218959707 393759424 /nfs/dbraw/zinc/75/94/24/393759424.db2.gz ZJXQGAXXZOVGMP-KBMXLJTQSA-N 1 0 278.440 2.898 50 0 CFAARO COCc1ccccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000079721054 393720784 /nfs/dbraw/zinc/72/07/84/393720784.db2.gz GNTGPZLDVYHSMH-UHFFFAOYSA-N 1 0 299.370 2.894 50 0 CFAARO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)nc1 ZINC000095981736 393814073 /nfs/dbraw/zinc/81/40/73/393814073.db2.gz OUZCXDXBGQQGQH-GOEBONIOSA-N 1 0 270.380 2.670 50 0 CFAARO CC(C)c1nn(C)cc1C[N@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000095987309 393814773 /nfs/dbraw/zinc/81/47/73/393814773.db2.gz YUGWOWQRQMPQTR-AEFFLSMTSA-N 1 0 299.418 2.634 50 0 CFAARO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2)C[C@@H]1C ZINC000096295237 393818343 /nfs/dbraw/zinc/81/83/43/393818343.db2.gz QGSPMAVROBEOBD-JEZWAEDTSA-N 1 0 288.435 2.742 50 0 CFAARO C/C=C/C=C\C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000096401546 393820657 /nfs/dbraw/zinc/82/06/57/393820657.db2.gz HXAJAKSCIYLHOR-VAIMCSMNSA-N 1 0 284.403 2.683 50 0 CFAARO CC(C)[NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1 ZINC000097034559 393840563 /nfs/dbraw/zinc/84/05/63/393840563.db2.gz WTQCVHIUEUJMEY-HNNXBMFYSA-N 1 0 276.424 2.884 50 0 CFAARO CC[C@@H]1c2cccn2CCN1Cc1cnn(CC)c1 ZINC000097140634 393840667 /nfs/dbraw/zinc/84/06/67/393840667.db2.gz FSVDFXNDSKCXAU-CQSZACIVSA-N 1 0 258.369 2.671 50 0 CFAARO C[C@H]1CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000252453048 393935003 /nfs/dbraw/zinc/93/50/03/393935003.db2.gz YLLDNFBWFYNMME-YOEHRIQHSA-N 1 0 286.419 2.912 50 0 CFAARO COC(=O)N1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000252487406 393935477 /nfs/dbraw/zinc/93/54/77/393935477.db2.gz WOBIQCBJGXOAHB-IMRBUKKESA-N 1 0 268.401 2.632 50 0 CFAARO Cc1ccc2nc(CN(Cc3cnn(C)c3)C3CC3)cn2c1 ZINC000252495495 393936311 /nfs/dbraw/zinc/93/63/11/393936311.db2.gz ORUCWJWEXGWTSZ-UHFFFAOYSA-N 1 0 295.390 2.541 50 0 CFAARO Clc1ccc2c(c1)C[N@@H+](C[C@H]1CCCOC1)CCO2 ZINC000252510106 393937218 /nfs/dbraw/zinc/93/72/18/393937218.db2.gz ZBLQPZZJSPRXBX-GFCCVEGCSA-N 1 0 281.783 2.961 50 0 CFAARO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000170048009 394371341 /nfs/dbraw/zinc/37/13/41/394371341.db2.gz GHETVOZRGONORR-HUUCEWRRSA-N 1 0 272.392 2.568 50 0 CFAARO COc1ccc(C)cc1CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000178420492 394388189 /nfs/dbraw/zinc/38/81/89/394388189.db2.gz IWXKSMFEASGSAL-MRXNPFEDSA-N 1 0 299.418 2.947 50 0 CFAARO O=C(C1CCCCC1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037915892 543032215 /nfs/dbraw/zinc/03/22/15/543032215.db2.gz KUZRGCAVVFGIGL-OAHLLOKOSA-N 1 0 264.413 2.557 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cn1 ZINC000279795246 292106369 /nfs/dbraw/zinc/10/63/69/292106369.db2.gz VQEJXAOQSRRAET-BZUAXINKSA-N 1 0 272.392 2.827 50 0 CFAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000044977892 397571385 /nfs/dbraw/zinc/57/13/85/397571385.db2.gz WRMMAWBAGZHMEH-AWEZNQCLSA-N 1 0 297.358 2.760 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000046857473 397582705 /nfs/dbraw/zinc/58/27/05/397582705.db2.gz QFJKRIBSYITRKW-PWSUYJOCSA-N 1 0 293.238 2.561 50 0 CFAARO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000047980950 397589166 /nfs/dbraw/zinc/58/91/66/397589166.db2.gz CUGDSFBTDRSBOK-OAHLLOKOSA-N 1 0 290.382 2.564 50 0 CFAARO c1nc2ccccn2c1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000105444485 397596470 /nfs/dbraw/zinc/59/64/70/397596470.db2.gz NCCBWAOJMVKRHZ-CQSZACIVSA-N 1 0 263.344 2.764 50 0 CFAARO Cc1cc(C)nc(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000108474925 397597989 /nfs/dbraw/zinc/59/79/89/397597989.db2.gz PJCCZRKVSFOUIU-OCCSQVGLSA-N 1 0 290.411 2.502 50 0 CFAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2cccnc2)cc1 ZINC000108489354 397598351 /nfs/dbraw/zinc/59/83/51/397598351.db2.gz VKSOMXKVWZBIDT-IIYDPXPESA-N 1 0 286.375 2.863 50 0 CFAARO CCOCCC1(C[NH2+][C@H](C)CCOC)CCCC1 ZINC000095966056 286049657 /nfs/dbraw/zinc/04/96/57/286049657.db2.gz FAFLFOJRSGOLNG-CQSZACIVSA-N 1 0 257.418 2.988 50 0 CFAARO COc1ccc(C(=O)N2c3cc(C[NH3+])ccc3C[C@@H]2C)cc1 ZINC000045795972 286285318 /nfs/dbraw/zinc/28/53/18/286285318.db2.gz PSCGDBGDTVIYAQ-LBPRGKRZSA-N 1 0 296.370 2.745 50 0 CFAARO Cc1nnc(NC[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000825296665 782008212 /nfs/dbraw/zinc/00/82/12/782008212.db2.gz GKIQXLZUAWFHPI-LLVKDONJSA-N 1 0 266.414 2.523 50 0 CFAARO CC(C)n1nccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000367164281 156292013 /nfs/dbraw/zinc/29/20/13/156292013.db2.gz HGKBDLSXTXUVAJ-OAHLLOKOSA-N 1 0 285.391 2.947 50 0 CFAARO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249081281 286713929 /nfs/dbraw/zinc/71/39/29/286713929.db2.gz ABPSUAUUAHMPAA-XWLWVQCSSA-N 1 0 285.375 2.810 50 0 CFAARO CC[NH+](CC)CCOCCOc1ccc(C)cc1 ZINC000002896306 169842492 /nfs/dbraw/zinc/84/24/92/169842492.db2.gz BVRLYDRGJWBSOZ-UHFFFAOYSA-N 1 0 251.370 2.732 50 0 CFAARO COCCC[NH2+]CCOCCOc1cccc(C(C)C)c1 ZINC000002981148 169847036 /nfs/dbraw/zinc/84/70/36/169847036.db2.gz OOLZJMGHOMGWPC-UHFFFAOYSA-N 1 0 295.423 2.832 50 0 CFAARO CC[NH+](CC)CCNC(=O)Nc1ccc(Cl)cc1 ZINC000003159691 169862601 /nfs/dbraw/zinc/86/26/01/169862601.db2.gz IAOZLOOPIDRZIG-UHFFFAOYSA-N 1 0 269.776 2.803 50 0 CFAARO CCCCOc1ccc([C@@H]([NH3+])CC(=O)OCC)cc1 ZINC000004237675 169946829 /nfs/dbraw/zinc/94/68/29/169946829.db2.gz FLGOHNJLZLMFIS-AWEZNQCLSA-N 1 0 265.353 2.819 50 0 CFAARO CCCCNC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004690991 169999425 /nfs/dbraw/zinc/99/94/25/169999425.db2.gz CFIOBCPHUQBVSC-OAHLLOKOSA-N 1 0 278.440 2.971 50 0 CFAARO Cc1cccc2nc(CSC(N)=[NH2+])c(Br)n21 ZINC000004808347 170020646 /nfs/dbraw/zinc/02/06/46/170020646.db2.gz APZKSDJWVXIYBG-UHFFFAOYSA-N 1 0 299.197 2.532 50 0 CFAARO Cc1ccc(OCC[NH2+]C[C@@H](C)O)c(Cc2ccccc2)c1 ZINC000004832068 170026150 /nfs/dbraw/zinc/02/61/50/170026150.db2.gz FCQDLKIFZHHNGS-MRXNPFEDSA-N 1 0 299.414 2.935 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000004837177 170026926 /nfs/dbraw/zinc/02/69/26/170026926.db2.gz PCTOTSPQXJTUKT-JYJNAYRXSA-N 1 0 261.365 2.651 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004842742 170028943 /nfs/dbraw/zinc/02/89/43/170028943.db2.gz HLZQHFHPRJZMDW-LLVKDONJSA-N 1 0 263.312 2.946 50 0 CFAARO C[C@H]1CCC[N@H+](CCOCCOc2ccccc2C=O)C1 ZINC000004842558 170029068 /nfs/dbraw/zinc/02/90/68/170029068.db2.gz MQNFBPLVEPWWGY-HNNXBMFYSA-N 1 0 291.391 2.626 50 0 CFAARO C[N@@H+]1CCC[C@@H](OC(=O)c2ccc(Br)cc2)C1 ZINC000004898901 170037962 /nfs/dbraw/zinc/03/79/62/170037962.db2.gz FPMRLLRMQAZJHO-GFCCVEGCSA-N 1 0 298.180 2.700 50 0 CFAARO OCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004942877 170042943 /nfs/dbraw/zinc/04/29/43/170042943.db2.gz FYPXNLWUCNCFAG-UHFFFAOYSA-N 1 0 251.713 2.682 50 0 CFAARO CCn1c2ccccc2c2cc(C[NH2+]CCO)ccc21 ZINC000004942787 170043148 /nfs/dbraw/zinc/04/31/48/170043148.db2.gz ARKDOGAUBMFFJQ-UHFFFAOYSA-N 1 0 268.360 2.896 50 0 CFAARO COC(=O)c1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004985806 170048789 /nfs/dbraw/zinc/04/87/89/170048789.db2.gz NGVRRFNTLUICMV-STQMWFEESA-N 1 0 261.365 2.951 50 0 CFAARO Cn1c2ccc(C[NH2+]C3CCCCCC3)cc2n(C)c1=O ZINC000004993763 170051617 /nfs/dbraw/zinc/05/16/17/170051617.db2.gz OBIXQJMSLHKMAB-UHFFFAOYSA-N 1 0 287.407 2.689 50 0 CFAARO O=C(c1ccccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000005022442 170057236 /nfs/dbraw/zinc/05/72/36/170057236.db2.gz HBTXVHFCFYFEHX-UHFFFAOYSA-N 1 0 290.382 2.916 50 0 CFAARO CCCC[NH2+]CCOCCOc1ccc(C)cc1 ZINC000005042669 170059544 /nfs/dbraw/zinc/05/95/44/170059544.db2.gz SEACLEIJBVTXIL-UHFFFAOYSA-N 1 0 251.370 2.780 50 0 CFAARO C[C@@H]([NH2+]C[C@@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000005051512 170061535 /nfs/dbraw/zinc/06/15/35/170061535.db2.gz KJRIMWMASAAALK-BXUZGUMPSA-N 1 0 269.410 2.719 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000005446865 170099730 /nfs/dbraw/zinc/09/97/30/170099730.db2.gz VXWCVTFAHVMOOZ-GOEBONIOSA-N 1 0 277.408 2.775 50 0 CFAARO C[NH+](C)CCNC(=O)C1c2ccccc2Oc2ccccc21 ZINC000005452147 170100382 /nfs/dbraw/zinc/10/03/82/170100382.db2.gz ILQLLUVPSDDJQW-UHFFFAOYSA-N 1 0 296.370 2.602 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COCc2ccccc2F)C1 ZINC000005524263 170108123 /nfs/dbraw/zinc/10/81/23/170108123.db2.gz SPIIONDFFFARTK-FMKPAKJESA-N 1 0 295.398 2.681 50 0 CFAARO O[C@H](C[NH+]1CCC(Cc2ccccc2)CC1)C(F)(F)F ZINC000005768756 170139000 /nfs/dbraw/zinc/13/90/00/170139000.db2.gz OVWREYSRRDICFP-CQSZACIVSA-N 1 0 287.325 2.864 50 0 CFAARO CC[N@H+](Cc1cn2cccnc2n1)C1CCCCC1 ZINC000006483229 170205076 /nfs/dbraw/zinc/20/50/76/170205076.db2.gz KZMUGPFWVXOUGC-UHFFFAOYSA-N 1 0 258.369 2.884 50 0 CFAARO COc1cc(C=O)ccc1OCC[NH+]1CCC(C)CC1 ZINC000006681924 170225771 /nfs/dbraw/zinc/22/57/71/170225771.db2.gz ASVJKZKXSARGPZ-UHFFFAOYSA-N 1 0 277.364 2.618 50 0 CFAARO Clc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000006729313 170234226 /nfs/dbraw/zinc/23/42/26/170234226.db2.gz HANVYZGHQSYHHZ-UHFFFAOYSA-N 1 0 267.756 2.679 50 0 CFAARO COc1cccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000006731083 170235477 /nfs/dbraw/zinc/23/54/77/170235477.db2.gz IFAVUKIIXHMDDE-GFCCVEGCSA-N 1 0 262.353 2.508 50 0 CFAARO Cc1ccc(COc2ccc(C[NH2+]CCO)cc2)cc1 ZINC000006746410 170239377 /nfs/dbraw/zinc/23/93/77/170239377.db2.gz GSCCHWKTPKTRAZ-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(F)cc1 ZINC000006992394 170260949 /nfs/dbraw/zinc/26/09/49/170260949.db2.gz CSORIRWPVCPIHW-UHFFFAOYSA-N 1 0 286.350 2.817 50 0 CFAARO C[C@H](NC(=O)C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000007340270 170277999 /nfs/dbraw/zinc/27/79/99/170277999.db2.gz ZBXCGQIQEWFYSE-LBPRGKRZSA-N 1 0 272.348 2.706 50 0 CFAARO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000007380716 170281361 /nfs/dbraw/zinc/28/13/61/170281361.db2.gz CVYXKCXVVRPKRK-CYBMUJFWSA-N 1 0 260.381 2.566 50 0 CFAARO C[NH+](C)C[C@@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000007817786 170304238 /nfs/dbraw/zinc/30/42/38/170304238.db2.gz BQQGLCVBDXELSN-MRXNPFEDSA-N 1 0 286.350 2.858 50 0 CFAARO c1ccc(CSc2nnc(C3CC[NH2+]CC3)o2)cc1 ZINC000008039397 170315548 /nfs/dbraw/zinc/31/55/48/170315548.db2.gz IKDAORILXNWRPR-UHFFFAOYSA-N 1 0 275.377 2.829 50 0 CFAARO CC(C)CNC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000008126997 170320034 /nfs/dbraw/zinc/32/00/34/170320034.db2.gz OQCMPBRPYLGKRN-INIZCTEOSA-N 1 0 274.408 2.768 50 0 CFAARO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@H]1CO ZINC000008553363 170340020 /nfs/dbraw/zinc/34/00/20/170340020.db2.gz BRNHCAQZRAUXMI-OCCSQVGLSA-N 1 0 251.345 2.604 50 0 CFAARO Cc1ccc(CCC2CC[NH+](CCC(N)=O)CC2)cc1 ZINC000012332550 170476177 /nfs/dbraw/zinc/47/61/77/170476177.db2.gz YUDXYWFXYSWNSL-UHFFFAOYSA-N 1 0 274.408 2.515 50 0 CFAARO Cc1n(C)c2ccccc2[n+]1CC(=O)c1ccc(F)cc1 ZINC000012574798 170498725 /nfs/dbraw/zinc/49/87/25/170498725.db2.gz CWEJGKOLZXRRNP-UHFFFAOYSA-N 1 0 283.326 2.796 50 0 CFAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H](C)O1 ZINC000013425534 170549871 /nfs/dbraw/zinc/54/98/71/170549871.db2.gz ZYEQBWIZWOSDMQ-TXEJJXNPSA-N 1 0 296.798 2.778 50 0 CFAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCCC1 ZINC000013682741 170577646 /nfs/dbraw/zinc/57/76/46/170577646.db2.gz LDDNVRRKTNEOMT-UHFFFAOYSA-N 1 0 258.365 2.518 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2cccc(OC)c2)o1 ZINC000015083761 170656691 /nfs/dbraw/zinc/65/66/91/170656691.db2.gz RSAVHTWGGZCLMN-CYBMUJFWSA-N 1 0 275.348 2.816 50 0 CFAARO Cc1ccc(COC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000016579125 170702740 /nfs/dbraw/zinc/70/27/40/170702740.db2.gz SPQIMZWWSLLQAT-QGZVFWFLSA-N 1 0 277.408 2.604 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000016580048 170702795 /nfs/dbraw/zinc/70/27/95/170702795.db2.gz RXVQUVMKGBADSA-UHFFFAOYSA-N 1 0 280.799 2.944 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccnc1 ZINC000020124383 171006048 /nfs/dbraw/zinc/00/60/48/171006048.db2.gz LATCKZCLUYCTGP-LLVKDONJSA-N 1 0 256.305 2.661 50 0 CFAARO Cc1cc2ncc([C@H](C)[NH2+]Cc3cccnc3)c(C)n2n1 ZINC000020141407 171028005 /nfs/dbraw/zinc/02/80/05/171028005.db2.gz XUZOGPLTZAUYGA-LBPRGKRZSA-N 1 0 281.363 2.592 50 0 CFAARO FC(F)(F)c1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000020268589 171125083 /nfs/dbraw/zinc/12/50/83/171125083.db2.gz GHYJRTOWLYPXHK-UHFFFAOYSA-N 1 0 258.287 2.501 50 0 CFAARO NC(=[NH2+])c1ccnc(Oc2ccc3c(c2)CCC3)c1 ZINC000020297075 171137004 /nfs/dbraw/zinc/13/70/04/171137004.db2.gz OOBWSDXRXLDUQO-UHFFFAOYSA-N 1 0 253.305 2.647 50 0 CFAARO Fc1ccccc1CN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000020514392 171231554 /nfs/dbraw/zinc/23/15/54/171231554.db2.gz HAKOHSZLEZVPKB-INIZCTEOSA-N 1 0 292.398 2.559 50 0 CFAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(C)=O)ccc21 ZINC000020893228 171278145 /nfs/dbraw/zinc/27/81/45/171278145.db2.gz PKGHVQGXKVMBOP-UHFFFAOYSA-N 1 0 286.379 2.610 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCCCO)cc1 ZINC000020925351 171280299 /nfs/dbraw/zinc/28/02/99/171280299.db2.gz RQVKSJAZOVGRJW-UHFFFAOYSA-N 1 0 251.370 2.728 50 0 CFAARO CCc1ccc(C[NH2+][C@H]2COc3ccccc3C2)o1 ZINC000020996691 171284155 /nfs/dbraw/zinc/28/41/55/171284155.db2.gz OAOQDVHRTYGGDB-CYBMUJFWSA-N 1 0 257.333 2.935 50 0 CFAARO c1ccc([C@H]2NCC[NH+]=C2NC2CCCCC2)cc1 ZINC000021883576 171335987 /nfs/dbraw/zinc/33/59/87/171335987.db2.gz VURQWQGSTFCRIW-OAHLLOKOSA-N 1 0 257.381 2.652 50 0 CFAARO C[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021961662 171342719 /nfs/dbraw/zinc/34/27/19/171342719.db2.gz YLAUNYJPFWJQNB-RHSMWYFYSA-N 1 0 286.419 2.945 50 0 CFAARO CC[NH+]1CCN(CC[C@@H](C)c2ccc(C)o2)CC1 ZINC000022077645 171352647 /nfs/dbraw/zinc/35/26/47/171352647.db2.gz FPQOGANUUOVALW-CYBMUJFWSA-N 1 0 250.386 2.719 50 0 CFAARO Cc1ccccc1[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000022122418 171353711 /nfs/dbraw/zinc/35/37/11/171353711.db2.gz IZNRYBFUKJNNLH-SFHVURJKSA-N 1 0 266.388 2.990 50 0 CFAARO Cc1ccsc1C[NH2+][C@@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000022356608 171385739 /nfs/dbraw/zinc/38/57/39/171385739.db2.gz SPTINGYTVHDLDY-XHDPSFHLSA-N 1 0 277.389 2.974 50 0 CFAARO Cc1ccoc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000022516748 171389604 /nfs/dbraw/zinc/38/96/04/171389604.db2.gz RFMOVOVDAISHAM-CQSZACIVSA-N 1 0 272.348 2.621 50 0 CFAARO COc1ccc(CC[NH3+])cc1-c1ccc2c(c1)OCO2 ZINC000032534806 171732156 /nfs/dbraw/zinc/73/21/56/171732156.db2.gz UZQUCGYFWNQGDS-UHFFFAOYSA-N 1 0 271.316 2.592 50 0 CFAARO O=C(C[NH2+]CC1CCC1)Nc1ccc(Cl)cc1 ZINC000037180634 173012869 /nfs/dbraw/zinc/01/28/69/173012869.db2.gz FSLVZFMVDQQZKR-UHFFFAOYSA-N 1 0 252.745 2.668 50 0 CFAARO C[NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000037536424 173255196 /nfs/dbraw/zinc/25/51/96/173255196.db2.gz WQKNEXLNENIVOX-UHFFFAOYSA-N 1 0 286.297 2.529 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000655857301 414483107 /nfs/dbraw/zinc/48/31/07/414483107.db2.gz RZHOLEWXNPIDNH-STQMWFEESA-N 1 0 265.426 2.558 50 0 CFAARO CCCCOc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049208 174059827 /nfs/dbraw/zinc/05/98/27/174059827.db2.gz ABANJWRFADNKTM-JKSUJKDBSA-N 1 0 290.407 2.865 50 0 CFAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCC1)c1ccccc1 ZINC000039975662 174180315 /nfs/dbraw/zinc/18/03/15/174180315.db2.gz DKPJNKGLMRBTNM-INIZCTEOSA-N 1 0 274.408 2.986 50 0 CFAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCC[C@H]1C ZINC000040009435 174182549 /nfs/dbraw/zinc/18/25/49/174182549.db2.gz DDAZDALYJHJOLG-MCIONIFRSA-N 1 0 252.402 2.650 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cc(F)ccc2F)C1 ZINC000040107584 174191972 /nfs/dbraw/zinc/19/19/72/174191972.db2.gz LQAYDMMFIIEPIX-TXEJJXNPSA-N 1 0 296.361 2.673 50 0 CFAARO O=C(CSc1cccs1)NC1CC[NH+](C2CC2)CC1 ZINC000040512058 174305000 /nfs/dbraw/zinc/30/50/00/174305000.db2.gz YCOMGIFFSWMDKD-UHFFFAOYSA-N 1 0 296.461 2.583 50 0 CFAARO CC[C@H](CNC(=O)c1ccccc1Cl)[NH+]1CCCC1 ZINC000040522411 174311009 /nfs/dbraw/zinc/31/10/09/174311009.db2.gz PMYNETJZHYWSPC-GFCCVEGCSA-N 1 0 280.799 2.944 50 0 CFAARO CCOc1cc(C[NH2+]CCO)cc(Cl)c1OC(C)C ZINC000040721129 174385523 /nfs/dbraw/zinc/38/55/23/174385523.db2.gz UEXMDFUMMZXLSB-UHFFFAOYSA-N 1 0 287.787 2.608 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]C[C@@H](C)O)cc1Cl ZINC000040743945 174391331 /nfs/dbraw/zinc/39/13/31/174391331.db2.gz NETVUWWTZCBYCG-SNVBAGLBSA-N 1 0 257.761 2.598 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]C[C@H](C)O)cc1Cl ZINC000040743946 174391727 /nfs/dbraw/zinc/39/17/27/174391727.db2.gz NETVUWWTZCBYCG-JTQLQIEISA-N 1 0 257.761 2.598 50 0 CFAARO Nc1c(Cl)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043665714 175086626 /nfs/dbraw/zinc/08/66/26/175086626.db2.gz PRPMMHCYSZZNSB-LBPRGKRZSA-N 1 0 276.771 2.566 50 0 CFAARO CCOc1ccccc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000044535887 175198812 /nfs/dbraw/zinc/19/88/12/175198812.db2.gz QTZNUQMUTCJDFA-AWEZNQCLSA-N 1 0 262.397 2.517 50 0 CFAARO CC[C@H](C)[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000045944843 175387298 /nfs/dbraw/zinc/38/72/98/175387298.db2.gz ZQDQSRPAOXXALJ-LBPRGKRZSA-N 1 0 258.369 2.853 50 0 CFAARO CCC[N@H+](C[C@@H](O)COCc1ccccc1F)CC1CC1 ZINC000046342110 175395677 /nfs/dbraw/zinc/39/56/77/175395677.db2.gz NBKFGAZKOSYAIQ-MRXNPFEDSA-N 1 0 295.398 2.825 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1)c1ccsc1 ZINC000046346808 175396260 /nfs/dbraw/zinc/39/62/60/175396260.db2.gz LHQBMAYRXDWZJK-ZDUSSCGKSA-N 1 0 290.392 2.568 50 0 CFAARO CC[NH+](CC)CCNC(=O)NCc1ccc(Cl)s1 ZINC000047578205 175410294 /nfs/dbraw/zinc/41/02/94/175410294.db2.gz IESXNSICUGFQEB-UHFFFAOYSA-N 1 0 289.832 2.543 50 0 CFAARO Clc1ccc(Br)cc1CN1CC[NH2+]CC1 ZINC000052860969 175539763 /nfs/dbraw/zinc/53/97/63/175539763.db2.gz JLYRZJJOBDMUKN-UHFFFAOYSA-N 1 0 289.604 2.508 50 0 CFAARO CCCCC[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055393615 175577850 /nfs/dbraw/zinc/57/78/50/175577850.db2.gz WUPLOTYDLMRAIA-UHFFFAOYSA-N 1 0 262.401 2.983 50 0 CFAARO COc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000057353435 175594281 /nfs/dbraw/zinc/59/42/81/175594281.db2.gz XZFAHRSVBQGJLR-UHFFFAOYSA-N 1 0 281.359 2.904 50 0 CFAARO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2CCCCO2)C1 ZINC000066473924 175759834 /nfs/dbraw/zinc/75/98/34/175759834.db2.gz LFJKGOXLRFGBGR-XHSDSOJGSA-N 1 0 296.455 2.572 50 0 CFAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ncccn2)c1 ZINC000067712879 175786169 /nfs/dbraw/zinc/78/61/69/175786169.db2.gz IQCPDMRMGGHUER-HNNXBMFYSA-N 1 0 283.375 2.924 50 0 CFAARO COc1cc(-c2cccc(CC[NH3+])c2)cc(OC)c1OC ZINC000067895156 175800472 /nfs/dbraw/zinc/80/04/72/175800472.db2.gz AUMHSLBMRJYARY-UHFFFAOYSA-N 1 0 287.359 2.881 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070173117 175878056 /nfs/dbraw/zinc/87/80/56/175878056.db2.gz XLDDLBFCFXENOI-CMPLNLGQSA-N 1 0 266.410 2.510 50 0 CFAARO CSc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000070251886 175884244 /nfs/dbraw/zinc/88/42/44/175884244.db2.gz INWUCMIDAFETEA-CYBMUJFWSA-N 1 0 276.405 2.737 50 0 CFAARO Cc1nn(C(C)C)cc1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000071278730 176108265 /nfs/dbraw/zinc/10/82/65/176108265.db2.gz SLKVUYPWDOIAJM-ZDUSSCGKSA-N 1 0 271.364 2.702 50 0 CFAARO CCCC(=O)N1CCC([NH2+][C@H](C)c2ncccc2C)CC1 ZINC000071278830 176108321 /nfs/dbraw/zinc/10/83/21/176108321.db2.gz UTFODNBWCUTBLX-CQSZACIVSA-N 1 0 289.423 2.832 50 0 CFAARO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccccc2)C1 ZINC000071609031 176231145 /nfs/dbraw/zinc/23/11/45/176231145.db2.gz FQIROIAIOANJTE-UHFFFAOYSA-N 1 0 276.380 2.643 50 0 CFAARO C[C@H](c1ccc(-c2nccn2CCCO)cc1)[NH+](C)C ZINC000071746935 176258684 /nfs/dbraw/zinc/25/86/84/176258684.db2.gz UNDGTXBJZWWESJ-CYBMUJFWSA-N 1 0 273.380 2.555 50 0 CFAARO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccnc(C(C)C)n3)C2)n1 ZINC000071746772 176258820 /nfs/dbraw/zinc/25/88/20/176258820.db2.gz QJVCBSFKKKSXAJ-INIZCTEOSA-N 1 0 299.422 2.860 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(c3ccccc3)CC2)C1 ZINC000071837414 176274081 /nfs/dbraw/zinc/27/40/81/176274081.db2.gz MJSIFMZTTCULHY-OAHLLOKOSA-N 1 0 286.419 2.565 50 0 CFAARO Cc1noc(C(C)C)c1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000071853876 176278079 /nfs/dbraw/zinc/27/80/79/176278079.db2.gz IBXMOUPBWSEPMU-UHFFFAOYSA-N 1 0 293.411 2.520 50 0 CFAARO C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000071884513 176289120 /nfs/dbraw/zinc/28/91/20/176289120.db2.gz LDEYSSGOEBVYHY-IUODEOHRSA-N 1 0 276.380 2.612 50 0 CFAARO CCC(C)(C)[N@H+](C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000071915678 176299324 /nfs/dbraw/zinc/29/93/24/176299324.db2.gz FWQRAKDIFIOJFT-UHFFFAOYSA-N 1 0 299.436 2.589 50 0 CFAARO CC1(C)C[C@H](C[NH+]2CC(c3ccncc3)C2)CCO1 ZINC000072143151 176324200 /nfs/dbraw/zinc/32/42/00/176324200.db2.gz QSMQDZZVWFHQPK-CYBMUJFWSA-N 1 0 260.381 2.686 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)sc1C ZINC000072154548 176328285 /nfs/dbraw/zinc/32/82/85/176328285.db2.gz SRXKCWXQYFBXDB-ZDUSSCGKSA-N 1 0 280.437 2.921 50 0 CFAARO CSCc1noc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)n1 ZINC000072162490 176330080 /nfs/dbraw/zinc/33/00/80/176330080.db2.gz SRLYHZADJBUPBU-BPNZPQAUSA-N 1 0 293.436 2.801 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(Cc2nc3ccccc3n2C)C1 ZINC000072170195 176332556 /nfs/dbraw/zinc/33/25/56/176332556.db2.gz XFNKKNLKGIDAOE-CQSZACIVSA-N 1 0 298.434 2.632 50 0 CFAARO Cc1cnn(CCC[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000072171392 176333267 /nfs/dbraw/zinc/33/32/67/176333267.db2.gz HHMFXRSOLUEIEL-MRXNPFEDSA-N 1 0 270.380 2.814 50 0 CFAARO CCOc1cc(C(=O)NCCC[NH+](C)C)cc2occc21 ZINC000072240131 176348097 /nfs/dbraw/zinc/34/80/97/176348097.db2.gz OKDBBGBJGAAKDJ-UHFFFAOYSA-N 1 0 290.363 2.513 50 0 CFAARO c1csc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)c1 ZINC000072242429 176349247 /nfs/dbraw/zinc/34/92/47/176349247.db2.gz ZCEGJPDRAIAXRO-OAHLLOKOSA-N 1 0 284.388 2.871 50 0 CFAARO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072272801 176355139 /nfs/dbraw/zinc/35/51/39/176355139.db2.gz UXUSCXCCMLCGJF-JSGCOSHPSA-N 1 0 256.353 2.745 50 0 CFAARO Cc1ncsc1CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072291814 176362195 /nfs/dbraw/zinc/36/21/95/176362195.db2.gz SGWBXSQYBSBJLT-GFCCVEGCSA-N 1 0 276.409 2.597 50 0 CFAARO c1ccc2c(c1)[nH]c1ccc(CN3CC[NH2+]CC3)cc12 ZINC000072333673 176370503 /nfs/dbraw/zinc/37/05/03/176370503.db2.gz RHLPTTWUMIELLB-UHFFFAOYSA-N 1 0 265.360 2.726 50 0 CFAARO Cc1cc(C)nc(Nc2ccc(C3CC[NH2+]CC3)nc2)n1 ZINC000072343471 176372264 /nfs/dbraw/zinc/37/22/64/176372264.db2.gz KRPLLJTTWGSSJH-UHFFFAOYSA-N 1 0 283.379 2.699 50 0 CFAARO CC[C@H](CNc1cc(C)nc2c(C)c(C)nn21)[N@H+](C)CC ZINC000072432555 176402810 /nfs/dbraw/zinc/40/28/10/176402810.db2.gz RANPUAVRXYXUEM-CQSZACIVSA-N 1 0 289.427 2.797 50 0 CFAARO Cc1cc(C[NH+]2CCC3(CN(C)C(=O)O3)CC2)ccc1F ZINC000072431256 176402949 /nfs/dbraw/zinc/40/29/49/176402949.db2.gz NQXURWYXDARYEK-UHFFFAOYSA-N 1 0 292.354 2.551 50 0 CFAARO Cc1cnc(Nc2cc([C@@H]3CCC[NH2+]C3)nc(C)n2)s1 ZINC000077011029 177146824 /nfs/dbraw/zinc/14/68/24/177146824.db2.gz MAZYDYYHKHVDJT-LLVKDONJSA-N 1 0 289.408 2.761 50 0 CFAARO C[C@@H]1CO[C@H](c2ccccc2)CN1CC[NH+]1CCCCC1 ZINC000077173844 177230006 /nfs/dbraw/zinc/23/00/06/177230006.db2.gz PMUDTBRTNUCTGW-AEFFLSMTSA-N 1 0 288.435 2.934 50 0 CFAARO c1cncc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000077358196 177257061 /nfs/dbraw/zinc/25/70/61/177257061.db2.gz INTQYLJARLLPAX-OAHLLOKOSA-N 1 0 257.381 2.560 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000078551498 177353230 /nfs/dbraw/zinc/35/32/30/177353230.db2.gz SGKWYRQEFLRSNU-LLVKDONJSA-N 1 0 278.352 2.834 50 0 CFAARO Cn1ccnc1CC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000078552939 177353491 /nfs/dbraw/zinc/35/34/91/177353491.db2.gz LCAAWELQFBYZJZ-UHFFFAOYSA-N 1 0 278.425 2.506 50 0 CFAARO CSc1ccccc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000078578782 177356323 /nfs/dbraw/zinc/35/63/23/177356323.db2.gz JOKZMXJPGWFXBF-UHFFFAOYSA-N 1 0 292.448 2.870 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1 ZINC000079061194 177424904 /nfs/dbraw/zinc/42/49/04/177424904.db2.gz LTXCWRPPLIQKNZ-CQSZACIVSA-N 1 0 296.461 2.583 50 0 CFAARO OC[C@]1(C[NH2+]Cc2ccccc2)CCc2ccccc21 ZINC000521396644 260099225 /nfs/dbraw/zinc/09/92/25/260099225.db2.gz PPHMYGFXHYQZJH-GOSISDBHSA-N 1 0 267.372 2.653 50 0 CFAARO CC[C@@H](c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000020264367 260117513 /nfs/dbraw/zinc/11/75/13/260117513.db2.gz YSGSLACFKQEPAR-ZDUSSCGKSA-N 1 0 283.213 2.805 50 0 CFAARO COC(=O)c1ccccc1C[NH2+]Cc1ccc(OC)cc1 ZINC000037199080 260158384 /nfs/dbraw/zinc/15/83/84/260158384.db2.gz SIVGOHDMQPGSSQ-UHFFFAOYSA-N 1 0 285.343 2.772 50 0 CFAARO Nc1c(-c2ccc(Cl)cc2)n(O)c2ccccc2[n+]1=O ZINC000368131121 267146402 /nfs/dbraw/zinc/14/64/02/267146402.db2.gz BCHDKBKFACLNEZ-UHFFFAOYSA-N 1 0 288.714 2.696 50 0 CFAARO COc1ccc(-c2ccc(C)c(C[NH3+])c2)c(CO)c1 ZINC000530248968 270780171 /nfs/dbraw/zinc/78/01/71/270780171.db2.gz WXKREWNXOOLNHN-UHFFFAOYSA-N 1 0 257.333 2.622 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(n2cncn2)CC1 ZINC000191059310 273596696 /nfs/dbraw/zinc/59/66/96/273596696.db2.gz PQOLHSWFDDBQRU-HOCLYGCPSA-N 1 0 274.412 2.907 50 0 CFAARO CC[NH+]1CCN(c2ncnc3c4cc(C)ccc4[nH]c32)CC1 ZINC000002268980 273667732 /nfs/dbraw/zinc/66/77/32/273667732.db2.gz INEMITQCLHTGFU-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO C[NH+](C)C1CCN(c2cnccc2C(F)(F)F)CC1 ZINC000169725750 273792041 /nfs/dbraw/zinc/79/20/41/273792041.db2.gz PXGGDAFTJWQFPJ-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(Cl)cc1 ZINC000000210725 274217294 /nfs/dbraw/zinc/21/72/94/274217294.db2.gz LAFOFHUBJDGESJ-NSHDSACASA-N 1 0 267.756 2.981 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470304 274286429 /nfs/dbraw/zinc/28/64/29/274286429.db2.gz IUVKFZVETVUELB-KGLIPLIRSA-N 1 0 292.402 2.707 50 0 CFAARO C[C@H]1CCc2sc3ncnc(NCC[NH+](C)C)c3c2C1 ZINC000004995218 274571952 /nfs/dbraw/zinc/57/19/52/274571952.db2.gz JWWJAHJTZOCJIK-JTQLQIEISA-N 1 0 290.436 2.790 50 0 CFAARO Cc1cc2c(c(-c3cnc4ccccc4n3)c1)O[C@@H](C[NH3+])C2 ZINC000067490867 274725500 /nfs/dbraw/zinc/72/55/00/274725500.db2.gz AVEMOYYTIKPRFZ-CYBMUJFWSA-N 1 0 291.354 2.867 50 0 CFAARO Fc1cnccc1N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000096138735 274916184 /nfs/dbraw/zinc/91/61/84/274916184.db2.gz RQEOTOKPKBUZAQ-CQSZACIVSA-N 1 0 277.387 2.923 50 0 CFAARO CC(C)Cc1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000008608378 275603709 /nfs/dbraw/zinc/60/37/09/275603709.db2.gz CPHARFZXMMXPGS-UHFFFAOYSA-N 1 0 258.369 2.554 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000127932647 275644447 /nfs/dbraw/zinc/64/44/47/275644447.db2.gz BXCBFHSMDCOBIK-SRVKXCTJSA-N 1 0 292.345 2.706 50 0 CFAARO CC(C)c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000012382930 276050525 /nfs/dbraw/zinc/05/05/25/276050525.db2.gz LNUVVRQRHUQQJO-UHFFFAOYSA-N 1 0 260.381 2.634 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000241965700 276373292 /nfs/dbraw/zinc/37/32/92/276373292.db2.gz UVAUSNQMFWZRRF-PMPSAXMXSA-N 1 0 290.382 2.530 50 0 CFAARO C[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000071376041 277052953 /nfs/dbraw/zinc/05/29/53/277052953.db2.gz DRDTZVQFUXXXKQ-GDBMZVCRSA-N 1 0 272.392 2.522 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000020286176 277187097 /nfs/dbraw/zinc/18/70/97/277187097.db2.gz MRJDBVXBFHWXQC-NEPJUHHUSA-N 1 0 254.374 2.528 50 0 CFAARO COC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1C)C(C)C ZINC000096476354 277262108 /nfs/dbraw/zinc/26/21/08/277262108.db2.gz UUDXBNGRBDESBP-AWEZNQCLSA-N 1 0 278.396 2.503 50 0 CFAARO C[NH2+]Cc1c(C(F)(F)F)nn(C)c1Oc1ccccc1 ZINC000012370779 277286772 /nfs/dbraw/zinc/28/67/72/277286772.db2.gz AJQKRVBDVZVOBK-UHFFFAOYSA-N 1 0 285.269 2.951 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC000253369395 277781085 /nfs/dbraw/zinc/78/10/85/277781085.db2.gz CAYRTYGZROLKMR-JHJVBQTASA-N 1 0 275.458 2.614 50 0 CFAARO COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@@H]3[NH2+]CC2 ZINC000019550901 277856564 /nfs/dbraw/zinc/85/65/64/277856564.db2.gz KUECBJOPWMRHEX-AWEZNQCLSA-N 1 0 297.354 2.819 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000237491650 278227718 /nfs/dbraw/zinc/22/77/18/278227718.db2.gz SXUPTQXTIAZSII-KSZJFAHPSA-N 1 0 290.382 2.515 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000000064559 278837015 /nfs/dbraw/zinc/83/70/15/278837015.db2.gz VDZCJZXRDHODAB-INIZCTEOSA-N 1 0 277.408 2.775 50 0 CFAARO CCC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)c1cccnc1 ZINC000195561607 278871221 /nfs/dbraw/zinc/87/12/21/278871221.db2.gz LBEWGCFZKGLFKO-OAHLLOKOSA-N 1 0 291.395 2.743 50 0 CFAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1cnccn1 ZINC000252512329 279366909 /nfs/dbraw/zinc/36/69/09/279366909.db2.gz PINBWMGEABGTND-XHBSWPGZSA-N 1 0 289.354 2.779 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1)n1cccn1 ZINC000069351430 279592506 /nfs/dbraw/zinc/59/25/06/279592506.db2.gz VNTBQQZYUOHRSL-QWHCGFSZSA-N 1 0 275.400 2.574 50 0 CFAARO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000012936503 280136235 /nfs/dbraw/zinc/13/62/35/280136235.db2.gz MKZDYEBYAOSKTK-NSHDSACASA-N 1 0 286.400 2.966 50 0 CFAARO CC(C)[C@H]([NH2+]C[C@H]1CCOCO1)c1cccs1 ZINC000069895105 280327034 /nfs/dbraw/zinc/32/70/34/280327034.db2.gz YLJGRJNOYUJGBB-YPMHNXCESA-N 1 0 255.383 2.798 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000252463977 281076197 /nfs/dbraw/zinc/07/61/97/281076197.db2.gz SVFJZWYZKHWUCV-QKXHPSOXSA-N 1 0 292.810 2.939 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2cc3ccccc3o2)C1 ZINC000255354538 281095369 /nfs/dbraw/zinc/09/53/69/281095369.db2.gz IUAZXTRVQYDOPV-FMFIFOJESA-N 1 0 284.359 2.514 50 0 CFAARO Cc1ccc2cc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)ccc2n1 ZINC000338475247 281142760 /nfs/dbraw/zinc/14/27/60/281142760.db2.gz OQBIQXOCBKDFBW-MRXNPFEDSA-N 1 0 297.402 2.690 50 0 CFAARO Cc1cccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000004741631 281253693 /nfs/dbraw/zinc/25/36/93/281253693.db2.gz WFAMZPJWXIREJC-CQSZACIVSA-N 1 0 277.331 2.632 50 0 CFAARO Cc1nc2c(s1)[C@@H](N(C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000261984109 282029194 /nfs/dbraw/zinc/02/91/94/282029194.db2.gz JMPLMMVYBMQNGC-ZFWWWQNUSA-N 1 0 279.453 2.760 50 0 CFAARO C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237599135 289074429 /nfs/dbraw/zinc/07/44/29/289074429.db2.gz SIEAAFCKJYVUHJ-BPLDGKMQSA-N 1 0 272.392 2.650 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCOc2c3ccccc3ccc21)C(N)=O ZINC000097085771 290008463 /nfs/dbraw/zinc/00/84/63/290008463.db2.gz CSFFGUAMSVUWRA-XHDPSFHLSA-N 1 0 284.359 2.517 50 0 CFAARO [NH3+]CC[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000070073979 295240869 /nfs/dbraw/zinc/24/08/69/295240869.db2.gz UQRYBSNSHPAMPR-SNVBAGLBSA-N 1 0 273.302 2.666 50 0 CFAARO C[C@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C)[S@@](C)=O ZINC000195565470 298786504 /nfs/dbraw/zinc/78/65/04/298786504.db2.gz HXSVPSZVPPTQOA-NMLBAAHISA-N 1 0 279.449 2.925 50 0 CFAARO Cc1ccc(-c2csc3c2c(=O)n2c([n+]3C)CCC2)cc1 ZINC000031773463 301468107 /nfs/dbraw/zinc/46/81/07/301468107.db2.gz QMDHTRDRRVSDDU-UHFFFAOYSA-N 1 0 297.403 2.809 50 0 CFAARO Cc1ccccc1[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1CC1 ZINC000252499418 302199916 /nfs/dbraw/zinc/19/99/16/302199916.db2.gz SAILRKHNPQLPLC-SWLSCSKDSA-N 1 0 260.381 2.512 50 0 CFAARO Cc1csc(C(=O)N2CCCSC[C@@H]2C[NH+](C)C)c1 ZINC000090700164 302416967 /nfs/dbraw/zinc/41/69/67/302416967.db2.gz RNUNMFANKGXTCQ-LBPRGKRZSA-N 1 0 298.477 2.566 50 0 CFAARO Cc1csc(C[N@H+](C)CCCc2cccnc2)n1 ZINC000243914936 328042000 /nfs/dbraw/zinc/04/20/00/328042000.db2.gz BKWUAUAEEIOHAM-UHFFFAOYSA-N 1 0 261.394 2.911 50 0 CFAARO CO[C@H]1CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000243957116 328042210 /nfs/dbraw/zinc/04/22/10/328042210.db2.gz CFZLCLKTHNMEAP-INIZCTEOSA-N 1 0 277.412 2.999 50 0 CFAARO CCN(Cc1ccc(C)o1)C(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000534587161 328315818 /nfs/dbraw/zinc/31/58/18/328315818.db2.gz ZHJJTXXRPAVOMV-HNNXBMFYSA-N 1 0 295.427 2.706 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)CCC(F)(F)F)CCCC1 ZINC000534646546 328330117 /nfs/dbraw/zinc/33/01/17/328330117.db2.gz BLKOKJTXDWIPNK-UHFFFAOYSA-N 1 0 280.334 2.710 50 0 CFAARO O=C1CC[C@H]([NH2+]C2(Cc3ccc(Cl)cc3)CC2)CCN1 ZINC000534633073 328332400 /nfs/dbraw/zinc/33/24/00/328332400.db2.gz CVZOLTXVDORWOS-AWEZNQCLSA-N 1 0 292.810 2.673 50 0 CFAARO C[C@@H](CN(C)C)[NH2+]CC1(c2ccc(Cl)cc2)CC1 ZINC000534650034 328336591 /nfs/dbraw/zinc/33/65/91/328336591.db2.gz UDAMGUPVRQSMFI-LBPRGKRZSA-N 1 0 266.816 2.911 50 0 CFAARO C[C@H](CCO)[NH2+]CC1(c2cccc(F)c2)CCCC1 ZINC000534650428 328336782 /nfs/dbraw/zinc/33/67/82/328336782.db2.gz DOEYFDWVYBERSY-CYBMUJFWSA-N 1 0 265.372 2.998 50 0 CFAARO Clc1cccc(N2CC[C@H](C[NH2+]C3CCOCC3)C2)c1 ZINC000534676954 328352059 /nfs/dbraw/zinc/35/20/59/328352059.db2.gz NUJWMKWMYDPTDY-CYBMUJFWSA-N 1 0 294.826 2.935 50 0 CFAARO C[C@@H]([NH2+]CCc1nccs1)c1cn2ccccc2n1 ZINC000570826384 322554092 /nfs/dbraw/zinc/55/40/92/322554092.db2.gz DBIYMNKXCHFGPL-LLVKDONJSA-N 1 0 272.377 2.684 50 0 CFAARO Cn1c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)nnc1C1CCC1 ZINC000097103320 323618712 /nfs/dbraw/zinc/61/87/12/323618712.db2.gz QTBDXEBJTNNCSK-LBPRGKRZSA-N 1 0 292.427 2.518 50 0 CFAARO CC(C)(C(=O)NCC[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000152688567 323627209 /nfs/dbraw/zinc/62/72/09/323627209.db2.gz SMOZENOTQVFKTF-ZDUSSCGKSA-N 1 0 292.398 2.609 50 0 CFAARO COC(=O)C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000195572795 324109140 /nfs/dbraw/zinc/10/91/40/324109140.db2.gz ZYEKFYVRGUARSV-GFCCVEGCSA-N 1 0 279.355 2.814 50 0 CFAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)o1 ZINC000195571211 324109414 /nfs/dbraw/zinc/10/94/14/324109414.db2.gz MQKHSYQWMAHBMZ-MNOVXSKESA-N 1 0 255.387 2.532 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(CC(N)=O)CC1 ZINC000195575779 324109538 /nfs/dbraw/zinc/10/95/38/324109538.db2.gz QYNUMPSSTAKDHK-DZGCQCFKSA-N 1 0 264.413 2.566 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(c2nncn2C)CC1 ZINC000195575790 324109643 /nfs/dbraw/zinc/10/96/43/324109643.db2.gz XSPSGNDQEZXMNZ-GOEBONIOSA-N 1 0 288.439 2.987 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000195571232 324109648 /nfs/dbraw/zinc/10/96/48/324109648.db2.gz HQLMPJHSIUFVEX-MGPQQGTHSA-N 1 0 284.469 2.650 50 0 CFAARO c1ccc2[nH]c(CCC[NH2+][C@H]3CCCSC3)nc2c1 ZINC000131267487 328449118 /nfs/dbraw/zinc/44/91/18/328449118.db2.gz DYVSCZARASJHCH-LBPRGKRZSA-N 1 0 275.421 2.981 50 0 CFAARO O=C(c1ccc(F)cc1)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000004312775 326811016 /nfs/dbraw/zinc/81/10/16/326811016.db2.gz RTFWXIGEPYHVNZ-UHFFFAOYSA-N 1 0 290.382 2.678 50 0 CFAARO CCOc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC000007447107 326821399 /nfs/dbraw/zinc/82/13/99/326821399.db2.gz UNBNBMHPCGZDKA-UHFFFAOYSA-N 1 0 276.380 2.756 50 0 CFAARO COc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000058203394 327010369 /nfs/dbraw/zinc/01/03/69/327010369.db2.gz IBZVLBTZAKOFKK-ZDUSSCGKSA-N 1 0 291.395 2.547 50 0 CFAARO CNc1nc(N[C@H]2CC[C@@H]3CCC[C@@H]32)[nH+]c2c1CCC2 ZINC000077422257 327132187 /nfs/dbraw/zinc/13/21/87/327132187.db2.gz FRZZJHVGAHHIHA-MJVIPROJSA-N 1 0 272.396 2.998 50 0 CFAARO C[NH2+]Cc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1 ZINC000050478916 522102205 /nfs/dbraw/zinc/10/22/05/522102205.db2.gz MWAUVDLIVGUIFN-UHFFFAOYSA-N 1 0 255.243 2.815 50 0 CFAARO CSC[C@@](C)(O)CNc1cc[nH+]c2cc(F)ccc12 ZINC000096453712 533761376 /nfs/dbraw/zinc/76/13/76/533761376.db2.gz LNVROEVXNWWBNM-AWEZNQCLSA-N 1 0 280.368 2.900 50 0 CFAARO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1=CCCCC1 ZINC000098013169 533895092 /nfs/dbraw/zinc/89/50/92/533895092.db2.gz HQINMAFRBSYHGB-ZFWWWQNUSA-N 1 0 264.413 2.676 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000408519216 533899013 /nfs/dbraw/zinc/89/90/13/533899013.db2.gz UCKNIQKRPZYAFE-QPKOPYBWSA-N 1 0 292.810 2.782 50 0 CFAARO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)o1)C1CCOCC1 ZINC000096492032 533946888 /nfs/dbraw/zinc/94/68/88/533946888.db2.gz IXZFUPICUKSXDM-NSHDSACASA-N 1 0 266.385 2.877 50 0 CFAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nccn1C ZINC000195515419 534124117 /nfs/dbraw/zinc/12/41/17/534124117.db2.gz XRWJUCOMPWDIPV-OAHLLOKOSA-N 1 0 285.391 2.636 50 0 CFAARO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccccn1 ZINC000096486385 534207330 /nfs/dbraw/zinc/20/73/30/534207330.db2.gz DCLBDHALTPNTGC-AAEUAGOBSA-N 1 0 262.378 2.745 50 0 CFAARO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2N)cc1 ZINC000262881428 519839326 /nfs/dbraw/zinc/83/93/26/519839326.db2.gz FMOLDVPTHIIAHE-KRWDZBQOSA-N 1 0 297.402 2.822 50 0 CFAARO C[NH2+]Cc1cc(-c2cccc(Br)c2)n[nH]1 ZINC000050478924 522102759 /nfs/dbraw/zinc/10/27/59/522102759.db2.gz SOULCSNJINJRJL-UHFFFAOYSA-N 1 0 266.142 2.559 50 0 CFAARO Cc1ccc(CCCC(=O)N2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000156933343 524306472 /nfs/dbraw/zinc/30/64/72/524306472.db2.gz KYBBOXHVVVABCF-SWLSCSKDSA-N 1 0 294.464 2.965 50 0 CFAARO Cc1cnc([C@H](C)N2CCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000336532292 526145214 /nfs/dbraw/zinc/14/52/14/526145214.db2.gz XYZQWSGZCAJIMY-UONOGXRCSA-N 1 0 263.385 2.604 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)nc2ccccc12 ZINC000156200791 526250467 /nfs/dbraw/zinc/25/04/67/526250467.db2.gz QDJLOBMFQUIMSM-KGLIPLIRSA-N 1 0 297.402 2.743 50 0 CFAARO Cc1nnc(C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)s1 ZINC000361027355 526344725 /nfs/dbraw/zinc/34/47/25/526344725.db2.gz XZNCOIDAQINTRL-QWRGUYRKSA-N 1 0 269.414 2.528 50 0 CFAARO Cc1nnc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)s1 ZINC000361027356 526345343 /nfs/dbraw/zinc/34/53/43/526345343.db2.gz XZNCOIDAQINTRL-WDEREUQCSA-N 1 0 269.414 2.528 50 0 CFAARO CC(C)(C)Oc1ccc(C[NH2+][C@H]2CCSC2)cn1 ZINC000096499655 526585919 /nfs/dbraw/zinc/58/59/19/526585919.db2.gz WYPBQMPTOAUEJB-LBPRGKRZSA-N 1 0 266.410 2.854 50 0 CFAARO Brc1ccc(C2([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000096494490 526638777 /nfs/dbraw/zinc/63/87/77/526638777.db2.gz LWZRBWDPRYMZOI-GFCCVEGCSA-N 1 0 282.181 2.817 50 0 CFAARO CC(C)=CCC[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000096479035 527425197 /nfs/dbraw/zinc/42/51/97/527425197.db2.gz XWWHMJCAMGVZBT-LBPRGKRZSA-N 1 0 261.431 2.534 50 0 CFAARO Nc1ccccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2[NH2+]1 ZINC000238856652 527528444 /nfs/dbraw/zinc/52/84/44/527528444.db2.gz WSTXBEUFNZYMMG-KYOSRNDESA-N 1 0 273.380 2.518 50 0 CFAARO CC[N@H+](CCCCO)Cc1cccc2ncccc12 ZINC000222577091 528432880 /nfs/dbraw/zinc/43/28/80/528432880.db2.gz UAFGEZRLPFXBGY-UHFFFAOYSA-N 1 0 258.365 2.829 50 0 CFAARO CC1(C)CC[C@@H](C[NH+]2CCC(O)(c3ccccc3)CC2)O1 ZINC000187556968 529019966 /nfs/dbraw/zinc/01/99/66/529019966.db2.gz UHQXZTIFHVDIJE-INIZCTEOSA-N 1 0 289.419 2.928 50 0 CFAARO CC[C@@H](C(=O)N1CCC2(CCCC2)C1)[N@H+](C)CC ZINC000952976367 615369194 /nfs/dbraw/zinc/36/91/94/615369194.db2.gz KEEFWWQVCNKIKP-ZDUSSCGKSA-N 1 0 252.402 2.509 50 0 CFAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C(C)(C)C)C1 ZINC000176775630 618151571 /nfs/dbraw/zinc/15/15/71/618151571.db2.gz VJMJWRAQXJMSCJ-LLVKDONJSA-N 1 0 295.452 2.655 50 0 CFAARO CCCC[N@H+](C)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000019635141 618789439 /nfs/dbraw/zinc/78/94/39/618789439.db2.gz VDHMHJXYDJYIHY-UHFFFAOYSA-N 1 0 287.407 2.716 50 0 CFAARO Cc1nocc1[C@H](C)[NH2+]CCn1c(C)nc2ccccc21 ZINC000888098680 619132407 /nfs/dbraw/zinc/13/24/07/619132407.db2.gz NXLINQRWVWBRHW-NSHDSACASA-N 1 0 284.363 2.992 50 0 CFAARO CC1(C)CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000171924993 623249129 /nfs/dbraw/zinc/24/91/29/623249129.db2.gz BMCHDHSUVJGORO-UHFFFAOYSA-N 1 0 256.349 2.903 50 0 CFAARO OC[C@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000000212843 623602121 /nfs/dbraw/zinc/60/21/21/623602121.db2.gz YZRUHBAGSMUSCT-CQSZACIVSA-N 1 0 256.349 2.582 50 0 CFAARO CN(C(=O)c1cnc(C(C)(C)C)s1)[C@@H]1CCC[N@H+](C)C1 ZINC000153497364 623990364 /nfs/dbraw/zinc/99/03/64/623990364.db2.gz ASFBNENIWKGGNF-LLVKDONJSA-N 1 0 295.452 2.607 50 0 CFAARO Cn1ccc2ccc(C[N@@H+]3CC[C@@H](C(C)(C)O)C3)cc21 ZINC000670449152 626408254 /nfs/dbraw/zinc/40/82/54/626408254.db2.gz WGTGYQYSDDWEAM-OAHLLOKOSA-N 1 0 272.392 2.771 50 0 CFAARO C[NH2+][C@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000012596241 626450072 /nfs/dbraw/zinc/45/00/72/626450072.db2.gz QMOICWARXINKJT-GFCCVEGCSA-N 1 0 262.401 2.836 50 0 CFAARO CC(C)(O)C[N@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000811491273 631570355 /nfs/dbraw/zinc/57/03/55/631570355.db2.gz FJSGZPFJJCKJEE-UHFFFAOYSA-N 1 0 259.393 2.637 50 0 CFAARO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)C1(Cl)CC1 ZINC000863984626 637832848 /nfs/dbraw/zinc/83/28/48/637832848.db2.gz XHQFIAHMTPVGGE-GXTWGEPZSA-N 1 0 267.800 2.902 50 0 CFAARO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1scnc1C ZINC000863983675 637833258 /nfs/dbraw/zinc/83/32/58/637833258.db2.gz LZCILZLPBUGRDT-YPMHNXCESA-N 1 0 256.415 2.871 50 0 CFAARO C[C@H](NC/C=C/c1ccccc1)c1nnc2n1CCCC2 ZINC000084667981 650777659 /nfs/dbraw/zinc/77/76/59/650777659.db2.gz RKNUAASGELULOF-RNVIBTMRSA-N 1 0 282.391 2.978 50 0 CFAARO Fc1cnc(NC[C@@H]2CCCC[C@H]2[NH+]2CCCC2)cn1 ZINC000952992502 650791650 /nfs/dbraw/zinc/79/16/50/650791650.db2.gz GONSAQASKONWAB-QWHCGFSZSA-N 1 0 278.375 2.682 50 0 CFAARO CC1=NO[C@@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000877871320 643613565 /nfs/dbraw/zinc/61/35/65/643613565.db2.gz MXKGUZOOGKDODO-GFCCVEGCSA-N 1 0 252.745 2.903 50 0 CFAARO COCCNc1cncc(-c2ccc(C[NH+](C)C)s2)c1 ZINC000928996578 648972064 /nfs/dbraw/zinc/97/20/64/648972064.db2.gz WOEWELSQKBZKTG-UHFFFAOYSA-N 1 0 291.420 2.930 50 0 CFAARO Cc1ncccc1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187506026 649820213 /nfs/dbraw/zinc/82/02/13/649820213.db2.gz GFOWTWUDRNHYEE-UHFFFAOYSA-N 1 0 270.376 2.907 50 0 CFAARO C[C@]1(CO)CCC[N@H+](Cc2cccc(-c3ncc[nH]3)c2)C1 ZINC000020587300 651299773 /nfs/dbraw/zinc/29/97/73/651299773.db2.gz BHRLTQPAZLROSW-KRWDZBQOSA-N 1 0 285.391 2.671 50 0 CFAARO Cc1cc(N2CC[NH+](C)CC2)nc2cc3c(cc12)CCC3 ZINC000023634675 775531370 /nfs/dbraw/zinc/53/13/70/775531370.db2.gz FAKDUJBQLZRDPU-UHFFFAOYSA-N 1 0 281.403 2.784 50 0 CFAARO CC(C)OCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000821933502 781888235 /nfs/dbraw/zinc/88/82/35/781888235.db2.gz BMNGWKZACLPVLC-HNNXBMFYSA-N 1 0 255.402 2.550 50 0 CFAARO CC(C)OCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000821933503 781888909 /nfs/dbraw/zinc/88/89/09/781888909.db2.gz BMNGWKZACLPVLC-OAHLLOKOSA-N 1 0 255.402 2.550 50 0 CFAARO C[C@@H](C[NH+]1CCCC1)c1ncnn1CCc1ccccc1 ZINC000822279785 781894808 /nfs/dbraw/zinc/89/48/08/781894808.db2.gz LWWIADRSYPFUOF-HNNXBMFYSA-N 1 0 284.407 2.720 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000096444935 230374146 /nfs/dbraw/zinc/37/41/46/230374146.db2.gz MRCUNSDWLKCRET-BZNIZROVSA-N 1 0 280.412 2.958 50 0 CFAARO O[C@@H](C[N@H+](Cc1cccnc1)C1CC1)c1ccc(F)cc1 ZINC000096452805 230376185 /nfs/dbraw/zinc/37/61/85/230376185.db2.gz BUMIQLKXDVWKAF-KRWDZBQOSA-N 1 0 286.350 2.919 50 0 CFAARO COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000096476524 230379718 /nfs/dbraw/zinc/37/97/18/230379718.db2.gz VOZLJHZXOHSTID-FZMZJTMJSA-N 1 0 279.380 2.515 50 0 CFAARO COCCC[C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000096496506 230384073 /nfs/dbraw/zinc/38/40/73/230384073.db2.gz SWCPKCMWHOGDID-JKSUJKDBSA-N 1 0 296.455 2.526 50 0 CFAARO COc1ccccc1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12 ZINC000004064049 230368214 /nfs/dbraw/zinc/36/82/14/230368214.db2.gz DWFHSNCUMBKUCN-BPUTZDHNSA-N 1 0 261.365 2.651 50 0 biogenic,in-vitro CFAARO COc1ccc2c(c1)OC[C@@H](Cc1c[nH+]c(N)c(C)c1)C2 ZINC000095529461 185004520 /nfs/dbraw/zinc/00/45/20/185004520.db2.gz UWBITAKDKXYSJN-ZDUSSCGKSA-N 1 0 284.359 2.775 50 0 CFAARO C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@H]1C)c1cc2ccccc2o1 ZINC000408519232 230404053 /nfs/dbraw/zinc/40/40/53/230404053.db2.gz YVBBBFSQCWHIAM-MBNYWOFBSA-N 1 0 286.375 2.875 50 0 CFAARO CC(C)(C)OC(=O)N1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000095930148 185031696 /nfs/dbraw/zinc/03/16/96/185031696.db2.gz BWFWSLBYPKMSLX-UONOGXRCSA-N 1 0 276.380 2.596 50 0 CFAARO CC(C)N1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1=O ZINC000095963260 185044137 /nfs/dbraw/zinc/04/41/37/185044137.db2.gz XNNBNSVRXODFQO-GPANFISMSA-N 1 0 272.392 2.532 50 0 CFAARO CC(C)[C@H](C)SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000095962053 185044248 /nfs/dbraw/zinc/04/42/48/185044248.db2.gz FLZNCPPFQHYZLJ-LBPRGKRZSA-N 1 0 284.469 2.507 50 0 CFAARO O=C(NCC1CC1)C1([NH2+]Cc2ccccc2F)CCCC1 ZINC000095964666 185045668 /nfs/dbraw/zinc/04/56/68/185045668.db2.gz BODVZGZHVCDQCQ-UHFFFAOYSA-N 1 0 290.382 2.754 50 0 CFAARO CSC[C@@](C)(O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000095968282 185046647 /nfs/dbraw/zinc/04/66/47/185046647.db2.gz UJERFHWRWFALCN-KGLIPLIRSA-N 1 0 269.385 2.517 50 0 CFAARO Cc1ccc(C[C@@H]([NH2+]Cc2cnn(C)c2)C2CC2)cc1 ZINC000095967416 185046653 /nfs/dbraw/zinc/04/66/53/185046653.db2.gz CCBPSSAWFRWGPC-QGZVFWFLSA-N 1 0 269.392 2.839 50 0 CFAARO CC(C)(O)CSCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000095968102 185046986 /nfs/dbraw/zinc/04/69/86/185046986.db2.gz GTHCHBMICPJPSS-HNNXBMFYSA-N 1 0 279.449 2.638 50 0 CFAARO COC[C@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C1CC1 ZINC000095968788 185047501 /nfs/dbraw/zinc/04/75/01/185047501.db2.gz XNJPYRDDKLVDJW-DYVFJYSZSA-N 1 0 285.391 2.948 50 0 CFAARO CCc1nncn1CC[NH2+][C@@H]1CCSc2ccccc21 ZINC000095968730 185047860 /nfs/dbraw/zinc/04/78/60/185047860.db2.gz UZXCVMJADWKQAA-CYBMUJFWSA-N 1 0 288.420 2.667 50 0 CFAARO C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)C[NH3+])C1CC1 ZINC000095971061 185048555 /nfs/dbraw/zinc/04/85/55/185048555.db2.gz ANKDDOJPIPLTHV-SECBINFHSA-N 1 0 286.297 2.716 50 0 CFAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccccn1 ZINC000095978199 185052490 /nfs/dbraw/zinc/05/24/90/185052490.db2.gz MCZXZEQNCQMISU-MLGOLLRUSA-N 1 0 274.339 2.823 50 0 CFAARO O=C(C[NH2+]C1(c2ccc(F)cc2F)CCCC1)NC1CC1 ZINC000095985856 185055881 /nfs/dbraw/zinc/05/58/81/185055881.db2.gz FWVHKLMKDAQSDF-UHFFFAOYSA-N 1 0 294.345 2.602 50 0 CFAARO CCS[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000095990114 185057928 /nfs/dbraw/zinc/05/79/28/185057928.db2.gz LIMOVWBGTKVSEZ-STQMWFEESA-N 1 0 267.442 2.801 50 0 CFAARO C[NH+](C)C[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)nc1 ZINC000034399293 282118413 /nfs/dbraw/zinc/11/84/13/282118413.db2.gz XACXTIXNRHOMPK-GXTWGEPZSA-N 1 0 268.788 2.674 50 0 CFAARO CC[C@H](C(=O)NCc1c(F)ccc(C)c1F)[N@H+](C)CC ZINC000823061352 781919574 /nfs/dbraw/zinc/91/95/74/781919574.db2.gz RPQXWTWEEBTPKO-CYBMUJFWSA-N 1 0 284.350 2.620 50 0 CFAARO COc1ccc([C@@H](CO)[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000097021682 185154107 /nfs/dbraw/zinc/15/41/07/185154107.db2.gz VFHLKDGEPIZWCP-MRXNPFEDSA-N 1 0 293.313 2.797 50 0 CFAARO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000096990492 185148439 /nfs/dbraw/zinc/14/84/39/185148439.db2.gz YDQPJYDFXUNRAD-OAHLLOKOSA-N 1 0 281.371 2.576 50 0 CFAARO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000097034794 185157155 /nfs/dbraw/zinc/15/71/55/185157155.db2.gz WISQZGWBYAHXPH-BONVTDFDSA-N 1 0 295.766 2.888 50 0 CFAARO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](SC)C2)cc1 ZINC000097034940 185157283 /nfs/dbraw/zinc/15/72/83/185157283.db2.gz VWJPUWHRSXHDGP-ZIAGYGMSSA-N 1 0 279.405 2.847 50 0 CFAARO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(CO)c1 ZINC000097035118 185157614 /nfs/dbraw/zinc/15/76/14/185157614.db2.gz LURJPEGHAXEWQV-SUMWQHHRSA-N 1 0 283.371 2.833 50 0 CFAARO Cn1cccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000097035067 185157675 /nfs/dbraw/zinc/15/76/75/185157675.db2.gz DVNASVBIHIUCCY-JKSUJKDBSA-N 1 0 292.329 2.923 50 0 CFAARO Cc1cc(CCCC(=O)N2CC[NH2+]C[C@@H]2C)c(C)s1 ZINC000125575905 187191883 /nfs/dbraw/zinc/19/18/83/187191883.db2.gz QKHWXYKNIAVPCJ-NSHDSACASA-N 1 0 280.437 2.508 50 0 CFAARO CCc1nc(C)sc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC000426399209 529730464 /nfs/dbraw/zinc/73/04/64/529730464.db2.gz KPRHOWYDCMCLEM-UHFFFAOYSA-N 1 0 295.452 2.505 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2CCc2ccccn2)no1 ZINC000074085487 346995814 /nfs/dbraw/zinc/99/58/14/346995814.db2.gz CUTYCVPDGOKIST-OAHLLOKOSA-N 1 0 257.337 2.758 50 0 CFAARO CCCC[C@@H](O)C1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000065288686 539378782 /nfs/dbraw/zinc/37/87/82/539378782.db2.gz IBVRZGGQIJQSSB-MRXNPFEDSA-N 1 0 279.428 2.666 50 0 CFAARO Oc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000000212697 539376334 /nfs/dbraw/zinc/37/63/34/539376334.db2.gz WNYQQHYHUCBUSZ-UHFFFAOYSA-N 1 0 274.408 2.843 50 0 CFAARO C[N@H+](Cc1cccnc1)[C@@H](CCO)c1ccccc1 ZINC000096441572 530006667 /nfs/dbraw/zinc/00/66/67/530006667.db2.gz BPWFRAVHLQVORQ-INIZCTEOSA-N 1 0 256.349 2.637 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCc2c1cnn2C(C)(C)C ZINC000075584108 347085333 /nfs/dbraw/zinc/08/53/33/347085333.db2.gz CKOIRSFKNMUJQQ-CQSZACIVSA-N 1 0 287.411 2.837 50 0 CFAARO COc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1C ZINC000002811169 539436901 /nfs/dbraw/zinc/43/69/01/539436901.db2.gz JVMMMNPBTDPIQB-UHFFFAOYSA-N 1 0 262.397 2.530 50 0 CFAARO CCC(CC)[NH+]1CCC(Nc2ccc(C(N)=O)cc2)CC1 ZINC000097084214 185525326 /nfs/dbraw/zinc/52/53/26/185525326.db2.gz JNZRHKZPPNLAFG-UHFFFAOYSA-N 1 0 289.423 2.850 50 0 CFAARO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000097108867 185535476 /nfs/dbraw/zinc/53/54/76/185535476.db2.gz AVXKNTJCPSUGIS-AAEUAGOBSA-N 1 0 289.404 2.862 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCN2c3ccccc3CC2=O)[C@H](C)C1 ZINC000097373244 185591318 /nfs/dbraw/zinc/59/13/18/185591318.db2.gz LNVHOBJFTUGIKN-FMKPAKJESA-N 1 0 286.419 2.990 50 0 CFAARO COc1ccccc1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@H]12 ZINC000008553096 346224977 /nfs/dbraw/zinc/22/49/77/346224977.db2.gz DWFHSNCUMBKUCN-VNQPRFMTSA-N 1 0 261.365 2.651 50 0 biogenic,in-vitro CFAARO CC1CCC([N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)CC1 ZINC000016672168 346239470 /nfs/dbraw/zinc/23/94/70/346239470.db2.gz BBDBUIQLBLULKV-FYRZTWFESA-N 1 0 286.419 2.846 50 0 CFAARO CN1CCC([NH2+]CCc2nc3ccccc3s2)CC1 ZINC000020128065 346243037 /nfs/dbraw/zinc/24/30/37/346243037.db2.gz CMDNGYYHVYPMFU-UHFFFAOYSA-N 1 0 275.421 2.523 50 0 CFAARO COc1cc(NC(=O)[C@H]([NH3+])C(C)C)cc2ccccc21 ZINC000019892842 346243147 /nfs/dbraw/zinc/24/31/47/346243147.db2.gz GRDPQPREOTZYRW-OAHLLOKOSA-N 1 0 272.348 2.770 50 0 CFAARO Fc1cccc(C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000023634374 346253200 /nfs/dbraw/zinc/25/32/00/346253200.db2.gz JETNMXDHZPMMPP-UHFFFAOYSA-N 1 0 273.307 2.887 50 0 CFAARO CC1(C)CC(NC(=O)CCc2ccco2)CC(C)(C)[NH2+]1 ZINC000025876497 346261920 /nfs/dbraw/zinc/26/19/20/346261920.db2.gz PXGNWUVXTPECLM-UHFFFAOYSA-N 1 0 278.396 2.638 50 0 CFAARO CN(CCCCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368726 179038611 /nfs/dbraw/zinc/03/86/11/179038611.db2.gz JIQWYNKMCRVSCS-CVEARBPZSA-N 1 0 274.408 2.595 50 0 CFAARO CC(=O)c1cn(C2=[NH+]CCN2)c2cc(Cl)c(Cl)cc12 ZINC000039932886 346344570 /nfs/dbraw/zinc/34/45/70/346344570.db2.gz JODGVCZPONFPBE-UHFFFAOYSA-N 1 0 296.157 2.958 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c1 ZINC000043157555 346380153 /nfs/dbraw/zinc/38/01/53/346380153.db2.gz LKOGBRXABVWQOD-PMPSAXMXSA-N 1 0 261.365 2.651 50 0 CFAARO CCOc1cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)ccc1O ZINC000043741601 346386985 /nfs/dbraw/zinc/38/69/85/346386985.db2.gz FJRAFGQYLIQWHC-XOKHGSTOSA-N 1 0 291.391 2.747 50 0 CFAARO Cn1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)cc1=O ZINC000051180495 346501199 /nfs/dbraw/zinc/50/11/99/346501199.db2.gz KMXFESGCYXIPJR-INIZCTEOSA-N 1 0 268.360 2.722 50 0 CFAARO CCn1cc(-c2ccc(C)cc2)cc1C(=O)NCC[NH+](C)C ZINC000065170566 346730620 /nfs/dbraw/zinc/73/06/20/346730620.db2.gz BABFFLFHKLTVRK-UHFFFAOYSA-N 1 0 299.418 2.775 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000076057278 347116918 /nfs/dbraw/zinc/11/69/18/347116918.db2.gz VCFCPRVLJNZDQT-CZUORRHYSA-N 1 0 299.418 2.905 50 0 CFAARO CC(C)(CCO)C[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000080337750 347354700 /nfs/dbraw/zinc/35/47/00/347354700.db2.gz VUNNEEKNHLIEQR-UHFFFAOYSA-N 1 0 291.420 2.703 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000084714906 347470044 /nfs/dbraw/zinc/47/00/44/347470044.db2.gz YZRWGPNTGMHPSC-CXAGYDPISA-N 1 0 297.402 2.581 50 0 CFAARO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000090909729 347561819 /nfs/dbraw/zinc/56/18/19/347561819.db2.gz UACHWTINOAXDQS-XEZPLFJOSA-N 1 0 263.381 2.641 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@@H]1CC ZINC000095882807 347699199 /nfs/dbraw/zinc/69/91/99/347699199.db2.gz UOTCUJGGSUJBJM-ZBFHGGJFSA-N 1 0 261.365 2.949 50 0 CFAARO CSc1cccc(N2CC[NH+](CCCCCO)CC2)c1 ZINC000096026771 347700416 /nfs/dbraw/zinc/70/04/16/347700416.db2.gz LGDFYVBPWQWOFI-UHFFFAOYSA-N 1 0 294.464 2.693 50 0 CFAARO C[C@@H](CCc1ccccc1F)[NH2+]Cc1ccnn1C ZINC000097228283 347707592 /nfs/dbraw/zinc/70/75/92/347707592.db2.gz JMKRYAPYZMKBGE-LBPRGKRZSA-N 1 0 261.344 2.670 50 0 CFAARO COc1cc([C@@H](C)[NH2+]C2(C)CCC2)ccc1S(C)(=O)=O ZINC000097232345 347707855 /nfs/dbraw/zinc/70/78/55/347707855.db2.gz UHWXDXQJXKTAOY-LLVKDONJSA-N 1 0 297.420 2.692 50 0 CFAARO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@H](C)c2cccnc2)c1 ZINC000106843620 347733314 /nfs/dbraw/zinc/73/33/14/347733314.db2.gz BUSJYNTVXAYMST-ZBFHGGJFSA-N 1 0 270.380 2.812 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2SC)o1 ZINC000110642506 347749300 /nfs/dbraw/zinc/74/93/00/347749300.db2.gz JSDFQMKOYPWYCF-DGCLKSJQSA-N 1 0 283.393 2.782 50 0 CFAARO CCOc1ccccc1O[C@@H]1CCC[C@H]1[NH2+][C@H]1CCOC1 ZINC000110703936 347749495 /nfs/dbraw/zinc/74/94/95/347749495.db2.gz SMEQUXUGXUJYAP-RRFJBIMHSA-N 1 0 291.391 2.764 50 0 CFAARO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000123005626 347818084 /nfs/dbraw/zinc/81/80/84/347818084.db2.gz VEYXNNQVXQWRDY-OAHLLOKOSA-N 1 0 299.374 2.757 50 0 CFAARO CC[C@@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000170594068 348055002 /nfs/dbraw/zinc/05/50/02/348055002.db2.gz GGGOIIJARHVGIB-GFCCVEGCSA-N 1 0 258.369 2.707 50 0 CFAARO CC[N@@H+]1CCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC000172019960 348085019 /nfs/dbraw/zinc/08/50/19/348085019.db2.gz QYIWTFFMECCFCF-LBPRGKRZSA-N 1 0 272.348 2.647 50 0 CFAARO C[C@@H](Cc1ccccc1F)[NH2+]CC1(CO)CCC1 ZINC000188452526 348132077 /nfs/dbraw/zinc/13/20/77/348132077.db2.gz YPQZQCFDXDEPSW-LBPRGKRZSA-N 1 0 251.345 2.509 50 0 CFAARO C[C@@H](CCCO)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000195553555 348145938 /nfs/dbraw/zinc/14/59/38/348145938.db2.gz KJHPXEWVWLUHRC-GJZGRUSLSA-N 1 0 268.445 2.534 50 0 CFAARO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000195570210 348146787 /nfs/dbraw/zinc/14/67/87/348146787.db2.gz JJNAFXLXBQRMFO-DTWKUNHWSA-N 1 0 294.342 2.803 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1c[nH]nc1C ZINC000195565395 348146789 /nfs/dbraw/zinc/14/67/89/348146789.db2.gz ITIWHYFFLZQFGL-CQSZACIVSA-N 1 0 285.391 2.936 50 0 CFAARO COc1cccc(OCC[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000195573175 348147344 /nfs/dbraw/zinc/14/73/44/348147344.db2.gz IEVQCVNYZLAGPE-SMDDNHRTSA-N 1 0 267.394 2.558 50 0 CFAARO CC(C)n1cc(C(=O)Nc2cccc3c2CC[N@H+](C)C3)cn1 ZINC000225538363 348178217 /nfs/dbraw/zinc/17/82/17/348178217.db2.gz NTDLXHYMQVWIFV-UHFFFAOYSA-N 1 0 298.390 2.704 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCOC1=O ZINC000249479470 348282946 /nfs/dbraw/zinc/28/29/46/348282946.db2.gz AXXOQCCFKOISLR-RWMBFGLXSA-N 1 0 271.426 2.594 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCOC1=O ZINC000249479471 348282974 /nfs/dbraw/zinc/28/29/74/348282974.db2.gz AXXOQCCFKOISLR-YNEHKIRRSA-N 1 0 271.426 2.594 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCC1OCCO1 ZINC000390833479 348544192 /nfs/dbraw/zinc/54/41/92/348544192.db2.gz IBWKVRXYMDMIGL-INIZCTEOSA-N 1 0 291.391 2.767 50 0 CFAARO O=C(N1CCCC1)C1(F)CC[NH+](Cc2ccccc2)CC1 ZINC000409421523 348600409 /nfs/dbraw/zinc/60/04/09/348600409.db2.gz IABHAHUMTDZCGE-UHFFFAOYSA-N 1 0 290.382 2.613 50 0 CFAARO COc1ccc(C(=O)N2CC[C@H](n3c(C)c[nH+]c3C)C2)cc1 ZINC000409421103 348600668 /nfs/dbraw/zinc/60/06/68/348600668.db2.gz HYDBUIHMCWQDCK-HNNXBMFYSA-N 1 0 299.374 2.596 50 0 CFAARO Cc1nc([C@H](C)[NH2+]C2CSCCSC2)cs1 ZINC000584886530 348727335 /nfs/dbraw/zinc/72/73/35/348727335.db2.gz CLVWHTCPNNYRRV-QMMMGPOBSA-N 1 0 274.480 2.951 50 0 CFAARO CC(C)n1cnnc1CC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000584889233 348727896 /nfs/dbraw/zinc/72/78/96/348727896.db2.gz MHRIQQTXDGNARB-MRXNPFEDSA-N 1 0 284.407 2.549 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1Cl ZINC000584890828 348729024 /nfs/dbraw/zinc/72/90/24/348729024.db2.gz HDMFBGQPLZGOKX-VIFPVBQESA-N 1 0 272.801 2.616 50 0 CFAARO CC[C@@H]([NH2+]C1CSCCSC1)c1ccncc1 ZINC000584895083 348729852 /nfs/dbraw/zinc/72/98/52/348729852.db2.gz MEBJWYYYWXJZML-CYBMUJFWSA-N 1 0 268.451 2.971 50 0 CFAARO COc1ccc(C2(C[NH2+][C@H]3CCOC3)CCCC2)cc1 ZINC000584894523 348730357 /nfs/dbraw/zinc/73/03/57/348730357.db2.gz KUDYCRJZJXEOGF-HNNXBMFYSA-N 1 0 275.392 2.886 50 0 CFAARO CC[C@H](C[NH+](C)C)n1cnc2c(C)cc(Cl)cc2c1=O ZINC000584894039 348730396 /nfs/dbraw/zinc/73/03/96/348730396.db2.gz NAMRCHDILWJULG-GFCCVEGCSA-N 1 0 293.798 2.871 50 0 CFAARO OC1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000584901859 348732671 /nfs/dbraw/zinc/73/26/71/348732671.db2.gz YWHQSNIXAKAGQH-OAHLLOKOSA-N 1 0 295.810 2.802 50 0 CFAARO Brc1ccccc1C[NH2+]CC1CSC1 ZINC000585136278 348735513 /nfs/dbraw/zinc/73/55/13/348735513.db2.gz ZLNJTJZKRYJROM-UHFFFAOYSA-N 1 0 272.211 2.902 50 0 CFAARO Cc1n[nH]cc1C[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000585136317 348735518 /nfs/dbraw/zinc/73/55/18/348735518.db2.gz AMLROMZZIHFOQF-AWEZNQCLSA-N 1 0 263.385 2.642 50 0 CFAARO CCN(C(=O)N1CCc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000585137375 348736229 /nfs/dbraw/zinc/73/62/29/348736229.db2.gz VPNMARQEGZCXMP-OAHLLOKOSA-N 1 0 287.407 2.633 50 0 CFAARO COc1cccc(C)c1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000585140347 348736295 /nfs/dbraw/zinc/73/62/95/348736295.db2.gz CPKLXLUPVDUKCP-KBPBESRZSA-N 1 0 262.397 2.576 50 0 CFAARO CCN(C(=O)N1CCc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000585137374 348736722 /nfs/dbraw/zinc/73/67/22/348736722.db2.gz VPNMARQEGZCXMP-HNNXBMFYSA-N 1 0 287.407 2.633 50 0 CFAARO C[NH+](C)CCc1ccc(NC(=O)c2cc(Cl)no2)cc1 ZINC000585140987 348737122 /nfs/dbraw/zinc/73/71/22/348737122.db2.gz NNZFUWCVTGQMPG-UHFFFAOYSA-N 1 0 293.754 2.684 50 0 CFAARO c1cc(C[NH+]2CCC(Nc3ncnc4c3CCC4)CC2)co1 ZINC000075876952 539721171 /nfs/dbraw/zinc/72/11/71/539721171.db2.gz AHLBGIYQEFMFAB-UHFFFAOYSA-N 1 0 298.390 2.635 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CC1CCOCC1)C(=O)Nc1ccccc1 ZINC000089615153 179829989 /nfs/dbraw/zinc/82/99/89/179829989.db2.gz LQQICLSMIWSVQU-UONOGXRCSA-N 1 0 290.407 2.808 50 0 CFAARO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc2ccccc21 ZINC000090848555 180045051 /nfs/dbraw/zinc/04/50/51/180045051.db2.gz JMXSMOZLJJTOBQ-GUYCJALGSA-N 1 0 271.360 2.642 50 0 CFAARO O=C(OCc1ccccc1)N1CCC[C@@]2(CCC[NH2+]2)C1 ZINC000091302503 180129246 /nfs/dbraw/zinc/12/92/46/180129246.db2.gz RNYKXNHOUZKSHQ-INIZCTEOSA-N 1 0 274.364 2.541 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC000091303642 180130744 /nfs/dbraw/zinc/13/07/44/180130744.db2.gz BIJMEPSIGYURDY-ZDUSSCGKSA-N 1 0 268.401 2.776 50 0 CFAARO CCC[N@@H+]1CC[C@@H](CNc2nnc(C3CC3)s2)C1 ZINC000091457277 180160771 /nfs/dbraw/zinc/16/07/71/180160771.db2.gz WSFMTMQBULSOIG-JTQLQIEISA-N 1 0 266.414 2.559 50 0 CFAARO [NH3+]CCc1ccc(C[C@@H]2COc3ccccc3C2)cc1 ZINC000091586859 180200556 /nfs/dbraw/zinc/20/05/56/180200556.db2.gz STPAVDCQTZRTEI-INIZCTEOSA-N 1 0 267.372 2.982 50 0 CFAARO Cc1[nH+]c(N)nc(N[C@@H](c2cccnc2)C(C)C)c1C ZINC000091526233 180178852 /nfs/dbraw/zinc/17/88/52/180178852.db2.gz CAGDYOXTNZNVDF-CYBMUJFWSA-N 1 0 271.368 2.880 50 0 CFAARO [NH3+]Cc1ccccc1C[C@@H]1COc2ccccc2C1 ZINC000091548036 180187467 /nfs/dbraw/zinc/18/74/67/180187467.db2.gz NANSRCPFPAXLLI-ZDUSSCGKSA-N 1 0 253.345 2.939 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091546761 180187515 /nfs/dbraw/zinc/18/75/15/180187515.db2.gz DWCYFNLCZPETNG-UTUOFQBUSA-N 1 0 280.799 2.987 50 0 CFAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(Cl)cc1F)C2 ZINC000091770045 180249155 /nfs/dbraw/zinc/24/91/55/180249155.db2.gz QRSNUYMUIWABOH-ZYHUDNBSSA-N 1 0 296.773 2.645 50 0 CFAARO COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(OC)c(OC)c1 ZINC000091862121 180275141 /nfs/dbraw/zinc/27/51/41/180275141.db2.gz IXPIARWVUWJYIV-LBPRGKRZSA-N 1 0 299.798 2.968 50 0 CFAARO COCCC[C@@]1(CO)CCC[N@H+](Cc2ccsc2)C1 ZINC000091896215 180281912 /nfs/dbraw/zinc/28/19/12/180281912.db2.gz JFKPXPQXZTUGDB-HNNXBMFYSA-N 1 0 283.437 2.749 50 0 CFAARO COCCC[C@]1(CO)CCC[N@H+](Cc2ccsc2)C1 ZINC000091896210 180282571 /nfs/dbraw/zinc/28/25/71/180282571.db2.gz JFKPXPQXZTUGDB-OAHLLOKOSA-N 1 0 283.437 2.749 50 0 CFAARO OCc1ccc(C[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000091907926 180283755 /nfs/dbraw/zinc/28/37/55/180283755.db2.gz ONFSSVQQZCGAPW-INIZCTEOSA-N 1 0 259.393 2.986 50 0 CFAARO C[NH2+]C[C@H](C)C(=O)Nc1ccc(OC(C)C)cc1C ZINC000092134009 180331471 /nfs/dbraw/zinc/33/14/71/180331471.db2.gz BKRLMTDSTHAXLX-LBPRGKRZSA-N 1 0 264.369 2.576 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC000106135339 186104184 /nfs/dbraw/zinc/10/41/84/186104184.db2.gz SKEQQMGQGOCORZ-GDBMZVCRSA-N 1 0 295.386 2.647 50 0 CFAARO c1ccc(C[C@H]2CCCC[N@H+]2C[C@H]2CCOCO2)cc1 ZINC000106800308 186137121 /nfs/dbraw/zinc/13/71/21/186137121.db2.gz UXZHACMCGCOXEI-IAGOWNOFSA-N 1 0 275.392 2.847 50 0 CFAARO CCOC[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000106853135 186142351 /nfs/dbraw/zinc/14/23/51/186142351.db2.gz JHNOOEYTEMPGBU-DOMZBBRYSA-N 1 0 269.360 2.606 50 0 CFAARO OC[C@@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000092456065 180388393 /nfs/dbraw/zinc/38/83/93/180388393.db2.gz KXAFVBUQVNOQEY-KRWDZBQOSA-N 1 0 298.386 2.617 50 0 CFAARO CC(C)c1ccc(CC[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000123116275 187072438 /nfs/dbraw/zinc/07/24/38/187072438.db2.gz LCFUFTCCBALQRV-INIZCTEOSA-N 1 0 295.448 2.519 50 0 CFAARO CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCNC(=O)C1CC1 ZINC000122782478 187050992 /nfs/dbraw/zinc/05/09/92/187050992.db2.gz LCSUZIGEJFPQPI-CVEARBPZSA-N 1 0 286.419 2.685 50 0 CFAARO CSc1ccc(CN(C)C(=O)[C@H]([NH3+])C(C)(C)C)cc1 ZINC000123338955 187086076 /nfs/dbraw/zinc/08/60/76/187086076.db2.gz CRHXZMVCQTXOCB-ZDUSSCGKSA-N 1 0 280.437 2.740 50 0 CFAARO FC(F)CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000136571500 187881908 /nfs/dbraw/zinc/88/19/08/187881908.db2.gz IFFRYLJGIDCERG-UHFFFAOYSA-N 1 0 268.351 2.548 50 0 CFAARO O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCc2ccc(F)cc21 ZINC000155535361 188212579 /nfs/dbraw/zinc/21/25/79/188212579.db2.gz BVQPOASFVPHAPS-MRXNPFEDSA-N 1 0 290.382 2.709 50 0 CFAARO O=C(N[C@H](Cc1ccccc1)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000157165290 188301278 /nfs/dbraw/zinc/30/12/78/188301278.db2.gz FKKLKZDQRSPIDL-IAGOWNOFSA-N 1 0 286.419 2.514 50 0 CFAARO C[C@H](CNC(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000157217970 188304484 /nfs/dbraw/zinc/30/44/84/188304484.db2.gz OZQVAGJMIFHLKM-LLVKDONJSA-N 1 0 296.361 2.574 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccccc2S1 ZINC000685939679 540020537 /nfs/dbraw/zinc/02/05/37/540020537.db2.gz JXDLMNARVYJALB-MBNYWOFBSA-N 1 0 290.432 2.822 50 0 CFAARO CC[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccccc1F ZINC000166179019 188635764 /nfs/dbraw/zinc/63/57/64/188635764.db2.gz RUVLDPYXCXHSNK-ANTHHZPCSA-N 1 0 257.374 2.633 50 0 CFAARO CC1CC[NH+](CCCCNC(=O)/C=C/c2ccc[nH]2)CC1 ZINC000170603006 188674974 /nfs/dbraw/zinc/67/49/74/188674974.db2.gz VAYJODGCPFFBEX-VOTSOKGWSA-N 1 0 289.423 2.656 50 0 CFAARO CC(C)C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000170664264 188682034 /nfs/dbraw/zinc/68/20/34/188682034.db2.gz GSKAWRLSDSDVIA-UHFFFAOYSA-N 1 0 270.417 2.879 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000630061465 354994511 /nfs/dbraw/zinc/99/45/11/354994511.db2.gz XMVJMJIRVMEINJ-ZYHUDNBSSA-N 1 0 279.334 2.978 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000078316825 540156368 /nfs/dbraw/zinc/15/63/68/540156368.db2.gz FUSCLSLEFKWWKU-HZPDHXFCSA-N 1 0 295.471 2.938 50 0 CFAARO CCc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2CC)cc1 ZINC000083823679 540184447 /nfs/dbraw/zinc/18/44/47/540184447.db2.gz RWTDLYPUALDLDF-MSOLQXFVSA-N 1 0 288.435 2.986 50 0 CFAARO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccnc(Cl)c1 ZINC000083704282 540183549 /nfs/dbraw/zinc/18/35/49/540183549.db2.gz GPMYXZOTTKBVSX-TZMCWYRMSA-N 1 0 279.815 2.794 50 0 CFAARO CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000084544268 540200565 /nfs/dbraw/zinc/20/05/65/540200565.db2.gz BYGBMTHOBCQPLC-IAGOWNOFSA-N 1 0 286.419 2.590 50 0 CFAARO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccncc1Cl ZINC000084721130 540206897 /nfs/dbraw/zinc/20/68/97/540206897.db2.gz UMFWZOSTPZXGKP-ZDUSSCGKSA-N 1 0 270.760 2.556 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccncc2)[C@@H](CC)C1 ZINC000084736179 540207263 /nfs/dbraw/zinc/20/72/63/540207263.db2.gz WIZYPXPECTUFTH-DZKIICNBSA-N 1 0 289.423 2.769 50 0 CFAARO c1ccc(C[N@H+]2CC[C@@H](CN3CCSCC3)C2)cc1 ZINC000252494887 540234287 /nfs/dbraw/zinc/23/42/87/540234287.db2.gz OHLMIHIBZZTAPU-INIZCTEOSA-N 1 0 276.449 2.557 50 0 CFAARO COc1ccc(C[C@H](C)C[NH2+]C2CCN(C)CC2)cc1 ZINC000090909636 540382256 /nfs/dbraw/zinc/38/22/56/540382256.db2.gz OESZTWPTYAXEAF-AWEZNQCLSA-N 1 0 276.424 2.558 50 0 CFAARO CC(C)c1nc(CN[C@H]2CC[C@H]([NH+](C)C)C2)cs1 ZINC000092846728 540412006 /nfs/dbraw/zinc/41/20/06/540412006.db2.gz OCTSAYSBJBBMOO-AAEUAGOBSA-N 1 0 267.442 2.839 50 0 CFAARO C[C@H]([N@H+](C)Cc1nc(-c2ccoc2)no1)C1(C)CC1 ZINC000177254103 189039663 /nfs/dbraw/zinc/03/96/63/189039663.db2.gz MDZKBBXYYJOHCG-JTQLQIEISA-N 1 0 261.325 2.950 50 0 CFAARO COC(=O)N1CCC([NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000095420814 540724379 /nfs/dbraw/zinc/72/43/79/540724379.db2.gz JLZKKHAUMRETRC-MLGOLLRUSA-N 1 0 288.391 2.740 50 0 CFAARO O[C@@H]1C[C@H](C2CCCCC2)[N@H+](Cc2ccncc2)C1 ZINC000095401526 540724924 /nfs/dbraw/zinc/72/49/24/540724924.db2.gz XJAYRKLRCBTBSG-HZPDHXFCSA-N 1 0 260.381 2.597 50 0 CFAARO C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)c2ccccc21 ZINC000095971054 540725756 /nfs/dbraw/zinc/72/57/56/540725756.db2.gz JMIJFBYIZVXSID-XJKSGUPXSA-N 1 0 280.371 2.707 50 0 CFAARO C[C@H]1OCC[C@H]1[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000095991480 540726314 /nfs/dbraw/zinc/72/63/14/540726314.db2.gz HTWLCHYMKNHREK-NOZJJQNGSA-N 1 0 255.308 2.967 50 0 CFAARO C[NH2+]Cc1cc(-c2ccc(Br)cc2F)n[nH]1 ZINC000132191075 540723002 /nfs/dbraw/zinc/72/30/02/540723002.db2.gz WBQMDMIUKDYMGU-UHFFFAOYSA-N 1 0 284.132 2.698 50 0 CFAARO OC[C@H]1CCC[N@@H+]1CC1=Cc2cc(Cl)ccc2OC1 ZINC000092470737 540723045 /nfs/dbraw/zinc/72/30/45/540723045.db2.gz BLRITIVJTINOEY-CQSZACIVSA-N 1 0 279.767 2.573 50 0 CFAARO C/C(=C\C(=O)N1CCCC[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000178494520 189120919 /nfs/dbraw/zinc/12/09/19/189120919.db2.gz ZASGJOHHYVRDOL-PABFRNLHSA-N 1 0 276.355 2.569 50 0 CFAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@H]1c1ccccc1 ZINC000299739009 200849504 /nfs/dbraw/zinc/84/95/04/200849504.db2.gz JKWXJHCLZAASLV-DZUCGIPZSA-N 1 0 286.419 2.766 50 0 CFAARO CCC[N@@H+]1CC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000389285702 540941651 /nfs/dbraw/zinc/94/16/51/540941651.db2.gz VXEWYSLAYNUHOP-GFCCVEGCSA-N 1 0 256.353 2.526 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000299738438 200850663 /nfs/dbraw/zinc/85/06/63/200850663.db2.gz ATCACFKYFYDCKK-WOSRLPQWSA-N 1 0 292.398 2.590 50 0 CFAARO C[NH+](C)[C@H]1CCCN(Cc2c(Cl)cncc2Cl)C1 ZINC000670438581 540995228 /nfs/dbraw/zinc/99/52/28/540995228.db2.gz JSYCUOZGOUAKOR-JTQLQIEISA-N 1 0 288.222 2.914 50 0 CFAARO CC(C)c1nnc(N(C)CC[N@H+](C)C2CCCC2)s1 ZINC000670447787 540997688 /nfs/dbraw/zinc/99/76/88/540997688.db2.gz HSVAVDACYWCHKR-UHFFFAOYSA-N 1 0 282.457 2.972 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CN1CC(Oc2ccc(C)cc2)C1 ZINC000670460704 541002677 /nfs/dbraw/zinc/00/26/77/541002677.db2.gz HHAIPRFVZQSIRT-HNNXBMFYSA-N 1 0 274.408 2.542 50 0 CFAARO O=C(c1ccoc1)N1CCC[N@H+](CC2=CCCCC2)CC1 ZINC000670452753 541000260 /nfs/dbraw/zinc/00/02/60/541000260.db2.gz DORUKECXDYNEIM-UHFFFAOYSA-N 1 0 288.391 2.928 50 0 CFAARO c1cncc(CC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000670458833 541001989 /nfs/dbraw/zinc/00/19/89/541001989.db2.gz OLQGUDAZAKUOHR-HNNXBMFYSA-N 1 0 262.422 2.842 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000299739188 540984612 /nfs/dbraw/zinc/98/46/12/540984612.db2.gz LQPZLHPDCCCFFA-IIDMSEBBSA-N 1 0 286.419 2.699 50 0 CFAARO CC(C)(O)[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000670469734 541008637 /nfs/dbraw/zinc/00/86/37/541008637.db2.gz RYUAAYGSHNLITG-ZDUSSCGKSA-N 1 0 258.365 2.761 50 0 CFAARO FC(F)(F)CCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000670471405 541010001 /nfs/dbraw/zinc/01/00/01/541010001.db2.gz LULRJVPJDNPTJU-UHFFFAOYSA-N 1 0 261.291 2.932 50 0 CFAARO Cc1[nH]nc2c1C[N@H+](C[C@H](C)c1ccccc1)CC2 ZINC000670473133 541011313 /nfs/dbraw/zinc/01/13/13/541011313.db2.gz ZSOFTGYADQOLFN-LBPRGKRZSA-N 1 0 255.365 2.880 50 0 CFAARO COCCCC1CC[NH+]([C@@H](C)CCn2cccn2)CC1 ZINC000670472783 541011342 /nfs/dbraw/zinc/01/13/42/541011342.db2.gz KTVPFWJWWLSFMU-HNNXBMFYSA-N 1 0 279.428 2.800 50 0 CFAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNc1ncccc1F ZINC000823806272 781937273 /nfs/dbraw/zinc/93/72/73/781937273.db2.gz JIXNJAKAENWAOQ-AWEZNQCLSA-N 1 0 271.339 2.689 50 0 CFAARO CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1F ZINC000181024662 189286485 /nfs/dbraw/zinc/28/64/85/189286485.db2.gz SDJSTNLQVPYUHE-OAHLLOKOSA-N 1 0 299.411 2.691 50 0 CFAARO C[NH+]1CCC(c2nnc3sc(-c4ccccc4)nn32)CC1 ZINC000823765922 781938114 /nfs/dbraw/zinc/93/81/14/781938114.db2.gz CNDMSZTZLMPPGI-UHFFFAOYSA-N 1 0 299.403 2.662 50 0 CFAARO C[C@]([NH2+]C1CCCCC1)(C(N)=O)C1CCCCC1 ZINC000000393455 291334426 /nfs/dbraw/zinc/33/44/26/291334426.db2.gz VYFRNIYBZRNUJK-OAHLLOKOSA-N 1 0 252.402 2.733 50 0 CFAARO C1=C(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)CCCC1 ZINC000450402663 242398580 /nfs/dbraw/zinc/39/85/80/242398580.db2.gz KXZAIFQVIRMQQD-KRWDZBQOSA-N 1 0 278.440 2.531 50 0 CFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccncc1 ZINC000012767976 284007999 /nfs/dbraw/zinc/00/79/99/284007999.db2.gz CJYHVCISJZCRKI-UHFFFAOYSA-N 1 0 295.386 2.607 50 0 CFAARO CCn1nncc1C[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000459405053 245166712 /nfs/dbraw/zinc/16/67/12/245166712.db2.gz SNOCBBLWVZMBCA-MRXNPFEDSA-N 1 0 288.370 2.986 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000000200682 371556059 /nfs/dbraw/zinc/55/60/59/371556059.db2.gz OZXIEYSSLNEUEL-GFCCVEGCSA-N 1 0 253.367 2.523 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000000020240 371509689 /nfs/dbraw/zinc/50/96/89/371509689.db2.gz AQHHHDLHHXJYJD-CQSZACIVSA-N 1 0 259.349 2.578 50 0 fda CFAARO CN(C(=O)c1ccco1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000036880 371513772 /nfs/dbraw/zinc/51/37/72/371513772.db2.gz AOHBIGDYRVCIEO-UHFFFAOYSA-N 1 0 264.369 2.661 50 0 CFAARO CN(C(=O)c1ccncc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000000036829 371513819 /nfs/dbraw/zinc/51/38/19/371513819.db2.gz RFAHOXGEVRTOJA-UHFFFAOYSA-N 1 0 289.423 2.805 50 0 CFAARO [NH3+][C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000000042796 371515494 /nfs/dbraw/zinc/51/54/94/371515494.db2.gz QGVBKZRNJLJGFM-AWEZNQCLSA-N 1 0 255.317 2.700 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000078000 371524803 /nfs/dbraw/zinc/52/48/03/371524803.db2.gz BBMNTDYLHOUHAS-UKRRQHHQSA-N 1 0 286.375 2.583 50 0 CFAARO C[NH+](C)CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000094296 371528310 /nfs/dbraw/zinc/52/83/10/371528310.db2.gz FUJVDDLWYRCUSK-UHFFFAOYSA-N 1 0 268.360 2.645 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000000212620 371559270 /nfs/dbraw/zinc/55/92/70/371559270.db2.gz UEKJVXUQMOCLNF-AWEZNQCLSA-N 1 0 252.402 2.509 50 0 CFAARO Cc1ccc(Cc2cnc(C[NH+](C)C)c(O)c2)cc1 ZINC000000186994 371552857 /nfs/dbraw/zinc/55/28/57/371552857.db2.gz FHXCLLBOQQDNRK-UHFFFAOYSA-N 1 0 256.349 2.748 50 0 CFAARO CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000000447899 371616219 /nfs/dbraw/zinc/61/62/19/371616219.db2.gz OJCGXJFLBNZNNN-LBPRGKRZSA-N 1 0 280.799 2.896 50 0 CFAARO O=C(CC[NH+]1CCCCC1)Nc1ccc2c(c1)CCC2 ZINC000000255027 371569867 /nfs/dbraw/zinc/56/98/67/371569867.db2.gz IOEBNDZHYWOTCI-UHFFFAOYSA-N 1 0 272.392 2.990 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000000275032 371575134 /nfs/dbraw/zinc/57/51/34/371575134.db2.gz XOIGPIHILBZHIL-SECBINFHSA-N 1 0 288.185 2.582 50 0 CFAARO Cc1ccccc1C[N@H+](CCO)Cc1ccccc1 ZINC000000277448 371576922 /nfs/dbraw/zinc/57/69/22/371576922.db2.gz HYCHBZXKVGZCLP-UHFFFAOYSA-N 1 0 255.361 2.990 50 0 CFAARO Cc1cc(C)c(OC[C@H](O)C[NH2+]C(C)(C)C)c(C)c1 ZINC000000283959 371577834 /nfs/dbraw/zinc/57/78/34/371577834.db2.gz QBVBSZGSMKFHHH-CQSZACIVSA-N 1 0 265.397 2.740 50 0 CFAARO CCn1c(C)[n+](CCO)c2cc(Cl)c(Cl)cc21 ZINC000000370115 371597677 /nfs/dbraw/zinc/59/76/77/371597677.db2.gz DDZDVJSHCBEVFX-UHFFFAOYSA-N 1 0 274.171 2.556 50 0 CFAARO COc1cc(C[C@H]2CC(C)=CC[N@@H+]2C)cc(OC)c1OC ZINC000000387953 371602548 /nfs/dbraw/zinc/60/25/48/371602548.db2.gz TZHZEVMJGGQMTC-CQSZACIVSA-N 1 0 291.391 2.905 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000000568020 371639850 /nfs/dbraw/zinc/63/98/50/371639850.db2.gz HBGVFZGMIAOPQO-MRXNPFEDSA-N 1 0 277.408 2.775 50 0 CFAARO Cc1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cc1 ZINC000000819310 371652612 /nfs/dbraw/zinc/65/26/12/371652612.db2.gz SRHMETOJWQIBPS-UHFFFAOYSA-N 1 0 274.408 2.732 50 0 CFAARO CCCCNc1ccc(C(=O)OCC[NH+](C)C)cc1 ZINC000001530811 371679682 /nfs/dbraw/zinc/67/96/82/371679682.db2.gz GKCBAIGFKIBETG-UHFFFAOYSA-N 1 0 264.369 2.617 50 0 fda CFAARO C[C@@H](C[NH+](C)C)[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000002018981 371713829 /nfs/dbraw/zinc/71/38/29/371713829.db2.gz KVHHQGIIZCJATJ-FZMZJTMJSA-N 1 0 255.789 2.831 50 0 endogenous,world CFAARO CC1(C)C[C@@](O)(CC[NH2+]Cc2cccs2)CCO1 ZINC000002435393 371726590 /nfs/dbraw/zinc/72/65/90/371726590.db2.gz RIZZOIYOURHFEL-CQSZACIVSA-N 1 0 269.410 2.548 50 0 CFAARO C[C@@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000002580993 371740339 /nfs/dbraw/zinc/74/03/39/371740339.db2.gz SRLKSFOHRPUQLI-AWEZNQCLSA-N 1 0 276.380 2.739 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000002540655 371735084 /nfs/dbraw/zinc/73/50/84/371735084.db2.gz VEXKYYBQZJWWSL-SNVBAGLBSA-N 1 0 262.136 2.946 50 0 CFAARO CC1=C[C@H](C)C(=O)N(C[C@H](C)[NH+]2CCCC2)C(C)=C1 ZINC000001721918 371701648 /nfs/dbraw/zinc/70/16/48/371701648.db2.gz SJFGMTIVTZSZIV-ZFWWWQNUSA-N 1 0 262.397 2.799 50 0 CFAARO COc1ccccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000003318113 371791426 /nfs/dbraw/zinc/79/14/26/371791426.db2.gz XUBRZIFGLLYGQT-MRXNPFEDSA-N 1 0 298.386 2.728 50 0 CFAARO CC(C)c1ccc(OCCOCC[NH+](C)C)cc1 ZINC000002822626 371757527 /nfs/dbraw/zinc/75/75/27/371757527.db2.gz PBAHDIDEXBYUEP-UHFFFAOYSA-N 1 0 251.370 2.767 50 0 CFAARO OCC[NH2+]CCCCCCOc1ccccc1Cl ZINC000002903025 371763516 /nfs/dbraw/zinc/76/35/16/371763516.db2.gz OTLRBHFTVFVPLD-UHFFFAOYSA-N 1 0 271.788 2.861 50 0 CFAARO CCC[C@](O)(CC[NH+](C)C)c1ccc(OC)cc1 ZINC000002922699 371765101 /nfs/dbraw/zinc/76/51/01/371765101.db2.gz XRWKTLGPGSHZEC-HNNXBMFYSA-N 1 0 251.370 2.635 50 0 CFAARO CC(=O)Nc1sc2c(c1C[NH+](C)C)CCCC2 ZINC000003158786 371777793 /nfs/dbraw/zinc/77/77/93/371777793.db2.gz UNOUIWFMXQEEAH-UHFFFAOYSA-N 1 0 252.383 2.647 50 0 CFAARO CC(C)CC[C@@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000002638544 371742832 /nfs/dbraw/zinc/74/28/32/371742832.db2.gz JQQDZROAGUYIFI-ZIAGYGMSSA-N 1 0 269.385 2.571 50 0 CFAARO CCCC[C@H](O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000004105186 371832970 /nfs/dbraw/zinc/83/29/70/371832970.db2.gz RWHFAMLHBCFRGK-SFHVURJKSA-N 1 0 290.451 2.792 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@H](C)C1 ZINC000003684013 371816332 /nfs/dbraw/zinc/81/63/32/371816332.db2.gz DJQARZCZCLCJFV-CZUORRHYSA-N 1 0 261.365 2.949 50 0 CFAARO COc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004019251 371828949 /nfs/dbraw/zinc/82/89/49/371828949.db2.gz DAGGEUHIWOTDNG-VNHYZAJKSA-N 1 0 292.423 2.522 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000004258264 371845553 /nfs/dbraw/zinc/84/55/53/371845553.db2.gz OWOUQCWHIZRHBO-UHFFFAOYSA-N 1 0 297.349 2.961 50 0 CFAARO CC(=O)N(CC[NH+](C)C)c1nc2c(cccc2Cl)s1 ZINC000004359300 371853255 /nfs/dbraw/zinc/85/32/55/371853255.db2.gz MOKULDJOMDHUJQ-UHFFFAOYSA-N 1 0 297.811 2.864 50 0 CFAARO COc1ccc(CC(=O)OCC[N@H+](C)C(C)(C)C)cc1 ZINC000004515158 371860934 /nfs/dbraw/zinc/86/09/34/371860934.db2.gz NQOOMGPTVUFFKA-UHFFFAOYSA-N 1 0 279.380 2.511 50 0 CFAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccc(OC)c(OC)c1 ZINC000004664883 371871537 /nfs/dbraw/zinc/87/15/37/371871537.db2.gz VWMLZFLHOTVGEL-GFCCVEGCSA-N 1 0 295.379 2.591 50 0 CFAARO Cc1ccccc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000004705394 371874313 /nfs/dbraw/zinc/87/43/13/371874313.db2.gz UWJMWQSMLMAMEF-CQSZACIVSA-N 1 0 277.331 2.632 50 0 CFAARO C[N@@H+]1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000006741669 371891035 /nfs/dbraw/zinc/89/10/35/371891035.db2.gz XVYYAZVUPLHVSS-UHFFFAOYSA-N 1 0 292.448 2.795 50 0 CFAARO CCOc1c(C[NH2+][C@@H](CC)CO)cc(Cl)cc1OC ZINC000010474289 371910035 /nfs/dbraw/zinc/91/00/35/371910035.db2.gz OHVNVFLPPUMCCK-LBPRGKRZSA-N 1 0 287.787 2.608 50 0 CFAARO CC1CC[NH+](CCCNC(=O)c2cccs2)CC1 ZINC000010540306 371910160 /nfs/dbraw/zinc/91/01/60/371910160.db2.gz VYTXGBAJSXCSLS-UHFFFAOYSA-N 1 0 266.410 2.600 50 0 CFAARO Cc1cc(Br)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000012404753 371960747 /nfs/dbraw/zinc/96/07/47/371960747.db2.gz GNVQSAGZPLQDNV-NSHDSACASA-N 1 0 269.186 2.921 50 0 CFAARO C/C=C(\C)C[NH2+][C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012470466 371964659 /nfs/dbraw/zinc/96/46/59/371964659.db2.gz RYEBLKYZVGGGER-JUNHHFQASA-N 1 0 290.382 2.525 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1cccc(F)c1)c1cccs1 ZINC000012874171 371992844 /nfs/dbraw/zinc/99/28/44/371992844.db2.gz GCHIGYUTUKNUJK-CYBMUJFWSA-N 1 0 292.379 2.920 50 0 CFAARO CCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3ccco3)CC[C@@H]21 ZINC000012125753 371945687 /nfs/dbraw/zinc/94/56/87/371945687.db2.gz VPHYIXCHSAJDRL-ZBFHGGJFSA-N 1 0 290.407 2.893 50 0 CFAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1=CCCC1 ZINC000012192508 371947476 /nfs/dbraw/zinc/94/74/76/371947476.db2.gz JWNSGSMBQWUBKL-SFHVURJKSA-N 1 0 298.430 2.920 50 0 CFAARO CN1CC[N@H+](Cc2cccc3ccccc32)CCC1=O ZINC000012213119 371947740 /nfs/dbraw/zinc/94/77/40/371947740.db2.gz GBDSFKBADREYBU-UHFFFAOYSA-N 1 0 268.360 2.504 50 0 CFAARO COc1ccc(CC[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000012243859 371950800 /nfs/dbraw/zinc/95/08/00/371950800.db2.gz HGHJDDRQDDJMLV-CQSZACIVSA-N 1 0 263.381 2.785 50 0 CFAARO CCC(C)(C)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000013718097 372042597 /nfs/dbraw/zinc/04/25/97/372042597.db2.gz SZIPJJYZSSLNRA-UHFFFAOYSA-N 1 0 267.369 2.991 50 0 CFAARO COc1ccc(C[NH2+]CCC(C)C)c(OC)c1OC ZINC000013718133 372042792 /nfs/dbraw/zinc/04/27/92/372042792.db2.gz RXCPMLQRWYFIIV-UHFFFAOYSA-N 1 0 267.369 2.848 50 0 CFAARO O=C1CCCN1CCC[NH2+]Cc1cccc2ccccc21 ZINC000013727407 372044270 /nfs/dbraw/zinc/04/42/70/372044270.db2.gz UQWWEHSFIOBPKR-UHFFFAOYSA-N 1 0 282.387 2.942 50 0 CFAARO OCCOc1ccc(C[NH2+]CCc2ccccc2F)cc1 ZINC000013731049 372044974 /nfs/dbraw/zinc/04/49/74/372044974.db2.gz FSCYXTYJNDYPQC-UHFFFAOYSA-N 1 0 289.350 2.529 50 0 CFAARO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OC ZINC000013722452 372045099 /nfs/dbraw/zinc/04/50/99/372045099.db2.gz LKRLKJKHLOWJCG-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H](C)O1 ZINC000013880475 372053547 /nfs/dbraw/zinc/05/35/47/372053547.db2.gz VZXVISRXDAIVJZ-TXEJJXNPSA-N 1 0 296.798 2.778 50 0 CFAARO OC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1O ZINC000014007971 372056863 /nfs/dbraw/zinc/05/68/63/372056863.db2.gz JPLSIBRFAFEEDC-WBVHZDCISA-N 1 0 283.371 2.600 50 0 CFAARO CSc1ccc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc1 ZINC000016447488 372106902 /nfs/dbraw/zinc/10/69/02/372106902.db2.gz IKWSMIGWZGHVKY-IPJDOKCGSA-N 1 0 261.390 2.836 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(OCC)cc2)CC1 ZINC000016580805 372112084 /nfs/dbraw/zinc/11/20/84/372112084.db2.gz CDSPPGAPFDSLIX-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO Cc1cccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000016607049 372113126 /nfs/dbraw/zinc/11/31/26/372113126.db2.gz WQQBJBGDUWRAAE-UHFFFAOYSA-N 1 0 286.419 2.829 50 0 CFAARO C[NH+]1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000016604323 372113592 /nfs/dbraw/zinc/11/35/92/372113592.db2.gz CUBZBLOMIPVKEA-UHFFFAOYSA-N 1 0 268.360 2.664 50 0 CFAARO C[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000016663228 372116124 /nfs/dbraw/zinc/11/61/24/372116124.db2.gz FWYRCAYEZAECOT-IYBDPMFKSA-N 1 0 288.435 2.760 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000016662731 372116647 /nfs/dbraw/zinc/11/66/47/372116647.db2.gz GFERWCPUELFWDB-CQSZACIVSA-N 1 0 253.386 2.842 50 0 CFAARO c1cnn(CCC[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000014969044 372076700 /nfs/dbraw/zinc/07/67/00/372076700.db2.gz YMYPIBCTEQSJTP-SFHVURJKSA-N 1 0 299.418 2.607 50 0 CFAARO [NH3+]C[C@H](c1ccccc1)N1CCC(c2ccccc2)=N1 ZINC000015109896 372080297 /nfs/dbraw/zinc/08/02/97/372080297.db2.gz FFEOKROBRASMSL-QGZVFWFLSA-N 1 0 265.360 2.796 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000016286689 372102743 /nfs/dbraw/zinc/10/27/43/372102743.db2.gz YFSDLIXTIDZVDO-HZSPNIEDSA-N 1 0 281.371 2.543 50 0 CFAARO COc1cc(C)ccc1OCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247675 372102806 /nfs/dbraw/zinc/10/28/06/372102806.db2.gz NIVHJNMGHVCROT-GASCZTMLSA-N 1 0 293.407 2.882 50 0 CFAARO CCCn1ncc(C[NH2+][C@H]2COc3ccccc3C2)c1C ZINC000019225143 372151315 /nfs/dbraw/zinc/15/13/15/372151315.db2.gz LWQPRLNPLBTVFU-MRXNPFEDSA-N 1 0 285.391 2.695 50 0 CFAARO CO[C@@H]1CCCN(CC[N@@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000019228968 372151951 /nfs/dbraw/zinc/15/19/51/372151951.db2.gz FIJPMISJQKYIGK-QZTJIDSGSA-N 1 0 288.435 2.587 50 0 CFAARO CSc1ccc(CN2CC[NH+](C(C)C)CC2)cc1 ZINC000019359607 372156727 /nfs/dbraw/zinc/15/67/27/372156727.db2.gz SNBMSJOGJXNNHJ-UHFFFAOYSA-N 1 0 264.438 2.935 50 0 CFAARO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000019339737 372156819 /nfs/dbraw/zinc/15/68/19/372156819.db2.gz CEUHWYAQJMJVOF-KRWDZBQOSA-N 1 0 258.409 2.993 50 0 CFAARO C[NH2+]C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000019367449 372158322 /nfs/dbraw/zinc/15/83/22/372158322.db2.gz FQFKVNTZBGKHLL-UHFFFAOYSA-N 1 0 252.361 2.680 50 0 CFAARO COc1ccccc1OCc1cc(C[NH3+])ccc1F ZINC000019406078 372160144 /nfs/dbraw/zinc/16/01/44/372160144.db2.gz VLJYAIKKHRSXGT-UHFFFAOYSA-N 1 0 261.296 2.872 50 0 CFAARO CC1CCC([NH+]2CCN(Cc3ccncc3)CC2)CC1 ZINC000019495955 372168173 /nfs/dbraw/zinc/16/81/73/372168173.db2.gz IIICGYOSUCJRBF-UHFFFAOYSA-N 1 0 273.424 2.778 50 0 CFAARO CC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000019595411 372176626 /nfs/dbraw/zinc/17/66/26/372176626.db2.gz YBZAOWXNMVXOPO-UHFFFAOYSA-N 1 0 287.432 2.948 50 0 CFAARO CC[NH+](CC)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000019990171 372220363 /nfs/dbraw/zinc/22/03/63/372220363.db2.gz PAQHZPCDYMLTKK-HNNXBMFYSA-N 1 0 288.391 2.784 50 0 CFAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000020102909 372233064 /nfs/dbraw/zinc/23/30/64/372233064.db2.gz DPELQOMGIMLYDU-UHFFFAOYSA-N 1 0 286.419 2.829 50 0 CFAARO CN1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC000020738912 372240167 /nfs/dbraw/zinc/24/01/67/372240167.db2.gz CXWYDGJANTVQOB-UHFFFAOYSA-N 1 0 288.782 2.549 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)CC2CC2)c(C)c1 ZINC000019758108 372184013 /nfs/dbraw/zinc/18/40/13/372184013.db2.gz AKBFESUUCTTYRR-GDBMZVCRSA-N 1 0 277.408 2.821 50 0 CFAARO c1cc(CN2CC[NH+](C3CCCCCC3)CC2)ccn1 ZINC000019790158 372187655 /nfs/dbraw/zinc/18/76/55/372187655.db2.gz ODGYMZDOHPPOFG-UHFFFAOYSA-N 1 0 273.424 2.922 50 0 CFAARO COc1cccc(C(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000023127908 372252619 /nfs/dbraw/zinc/25/26/19/372252619.db2.gz GAFZHYNZAYWUIG-UHFFFAOYSA-N 1 0 290.407 2.545 50 0 CFAARO O=C(Nc1nccs1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023311626 372258584 /nfs/dbraw/zinc/25/85/84/372258584.db2.gz ARMSMQUKQFMFLA-QMMMGPOBSA-N 1 0 279.390 2.881 50 0 CFAARO COc1ccc([C@H](CNC(=O)C(C)C)[NH+]2CCCC2)cc1 ZINC000025435092 372301146 /nfs/dbraw/zinc/30/11/46/372301146.db2.gz LSVPMIPQKKBZMF-INIZCTEOSA-N 1 0 290.407 2.604 50 0 CFAARO COc1ccc([C@@H](CNC(=O)C(C)C)[NH+]2CCCC2)cc1 ZINC000025435090 372301692 /nfs/dbraw/zinc/30/16/92/372301692.db2.gz LSVPMIPQKKBZMF-MRXNPFEDSA-N 1 0 290.407 2.604 50 0 CFAARO C[C@@H](CNC(=O)[C@H]1CC=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025632465 372304782 /nfs/dbraw/zinc/30/47/82/372304782.db2.gz QLKATBRDSZLUFA-RDJZCZTQSA-N 1 0 298.430 2.906 50 0 CFAARO NC(=O)[C@@H]([NH2+]CCc1ccc(Cl)cc1)c1ccccc1 ZINC000026162392 372314171 /nfs/dbraw/zinc/31/41/71/372314171.db2.gz FJTPKVHSLMXAMO-HNNXBMFYSA-N 1 0 288.778 2.699 50 0 CFAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000026807533 372329744 /nfs/dbraw/zinc/32/97/44/372329744.db2.gz OKGXSLRNMYELCR-QGZVFWFLSA-N 1 0 271.335 2.917 50 0 CFAARO CCC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027667640 372347021 /nfs/dbraw/zinc/34/70/21/372347021.db2.gz NPUFXSSOUNDUMW-MRXNPFEDSA-N 1 0 290.407 2.748 50 0 CFAARO C[C@H]1CCN(C(=O)CSC(N)=[NH2+])c2ccccc2S1 ZINC000029335275 372377450 /nfs/dbraw/zinc/37/74/50/372377450.db2.gz WHFJLDFKPIMIQG-VIFPVBQESA-N 1 0 295.433 2.531 50 0 CFAARO CC[C@H]1CCC[N@H+](Cc2cc(=O)n3c(C)csc3n2)C1 ZINC000030142792 372390286 /nfs/dbraw/zinc/39/02/86/372390286.db2.gz YOWAFMVDCAWCLV-LBPRGKRZSA-N 1 0 291.420 2.686 50 0 CFAARO Cc1csc2nc(C[N@@H+](C)[C@H](C)C(C)C)cc(=O)n12 ZINC000030149096 372391071 /nfs/dbraw/zinc/39/10/71/372391071.db2.gz PJEUUAGLXNFDSW-LLVKDONJSA-N 1 0 279.409 2.541 50 0 CFAARO Cc1csc2nc(C[N@@H+](C)[C@@H](C)C(C)C)cc(=O)n12 ZINC000030149097 372391082 /nfs/dbraw/zinc/39/10/82/372391082.db2.gz PJEUUAGLXNFDSW-NSHDSACASA-N 1 0 279.409 2.541 50 0 CFAARO Cc1ccc(-c2nc(CSC(N)=[NH2+])cs2)o1 ZINC000030515751 372393505 /nfs/dbraw/zinc/39/35/05/372393505.db2.gz LIOGKAMQCXAZOH-UHFFFAOYSA-N 1 0 253.352 2.838 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3C)s1 ZINC000030908806 372401128 /nfs/dbraw/zinc/40/11/28/372401128.db2.gz MEHGTARRUGVPKC-CYBMUJFWSA-N 1 0 261.394 2.957 50 0 CFAARO CCC(CC)(CNC(=O)NCc1ccc(C)cc1)[NH+](C)C ZINC000031094548 372404481 /nfs/dbraw/zinc/40/44/81/372404481.db2.gz MLXXLLMJRVKTEW-UHFFFAOYSA-N 1 0 291.439 2.915 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cc(C)nc2c(C)cccc12 ZINC000032961525 372479911 /nfs/dbraw/zinc/47/99/11/372479911.db2.gz DXJZTCBDQYCDQY-UHFFFAOYSA-N 1 0 299.418 2.923 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000032130758 372430993 /nfs/dbraw/zinc/43/09/93/372430993.db2.gz NLCJBDQRNTWMRV-IUODEOHRSA-N 1 0 285.343 2.800 50 0 CFAARO O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000032141503 372432664 /nfs/dbraw/zinc/43/26/64/372432664.db2.gz RFYDLJCTMXWPKN-CYBMUJFWSA-N 1 0 288.391 2.946 50 0 CFAARO COc1ccccc1Oc1ccc(NC(=O)[C@@H](C)[NH3+])cc1 ZINC000032133183 372432898 /nfs/dbraw/zinc/43/28/98/372432898.db2.gz HLUQXCJRLMGIAJ-LLVKDONJSA-N 1 0 286.331 2.773 50 0 CFAARO Cc1ccc(C(N)=O)c(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000032558259 372445016 /nfs/dbraw/zinc/44/50/16/372445016.db2.gz WETCGCCMAMMMKB-GFCCVEGCSA-N 1 0 283.375 2.779 50 0 CFAARO C[N@H+](CC(=O)NCc1ccco1)C1CCCCCC1 ZINC000032858118 372470117 /nfs/dbraw/zinc/47/01/17/372470117.db2.gz RGDUKWWCCWGQMT-UHFFFAOYSA-N 1 0 264.369 2.550 50 0 CFAARO COc1cc(C[NH2+]C2CCSCC2)cc(OC)c1OC ZINC000035120916 372541830 /nfs/dbraw/zinc/54/18/30/372541830.db2.gz HDTANPROONRIEP-UHFFFAOYSA-N 1 0 297.420 2.698 50 0 CFAARO C[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000034657486 372512683 /nfs/dbraw/zinc/51/26/83/372512683.db2.gz SQWLJSJJIXRQOR-UHFFFAOYSA-N 1 0 284.359 2.732 50 0 CFAARO CCC[N@@H+](Cc1ccco1)C[C@H](O)COc1ccccc1 ZINC000036030960 372554661 /nfs/dbraw/zinc/55/46/61/372554661.db2.gz UQTVQFOIKZMINA-HNNXBMFYSA-N 1 0 289.375 2.932 50 0 CFAARO Cc1ccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C)o1 ZINC000036097723 372559076 /nfs/dbraw/zinc/55/90/76/372559076.db2.gz MRJYILJYQBNSMW-AWEZNQCLSA-N 1 0 283.412 2.974 50 0 CFAARO CC(C)C[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036876832 372606679 /nfs/dbraw/zinc/60/66/79/372606679.db2.gz OVKLKCRHCWWCLO-NSHDSACASA-N 1 0 273.336 2.851 50 0 CFAARO c1ccc(Cc2noc(C[NH2+]C3CCCC3)n2)cc1 ZINC000036900925 372608119 /nfs/dbraw/zinc/60/81/19/372608119.db2.gz OAXLLCNASZMYFC-UHFFFAOYSA-N 1 0 257.337 2.693 50 0 CFAARO CC[N@@H+]1CC[C@H](CNCc2ccccc2Cl)C1 ZINC000037643727 372678072 /nfs/dbraw/zinc/67/80/72/372678072.db2.gz NOUVZWDQMCBKRU-GFCCVEGCSA-N 1 0 252.789 2.771 50 0 CFAARO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766354 372702502 /nfs/dbraw/zinc/70/25/02/372702502.db2.gz MJYIPFKTHWAITB-DOMZBBRYSA-N 1 0 275.396 2.599 50 0 CFAARO COc1ccc([C@H](C)[NH2+]Cc2c[nH]nc2C)cc1F ZINC000037898542 372733363 /nfs/dbraw/zinc/73/33/63/372733363.db2.gz SUTXNKVHESNQJZ-VIFPVBQESA-N 1 0 263.316 2.717 50 0 CFAARO O[C@@H](C[NH2+]Cc1ccc(F)cc1)c1ccccc1F ZINC000037862400 372727695 /nfs/dbraw/zinc/72/76/95/372727695.db2.gz YKBUWQVJFFGUKY-HNNXBMFYSA-N 1 0 263.287 2.788 50 0 CFAARO COc1ccc([C@H](C)[NH2+]Cc2c[nH]nc2C)cc1OC ZINC000038011194 372762781 /nfs/dbraw/zinc/76/27/81/372762781.db2.gz ORGIBQNDTSYZEL-JTQLQIEISA-N 1 0 275.352 2.586 50 0 CFAARO C/C=C/C=C/C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000039977602 372779995 /nfs/dbraw/zinc/77/99/95/372779995.db2.gz YRYKMZDNDTXUEX-TWTPFVCWSA-N 1 0 299.418 2.899 50 0 CFAARO CC/C=C(\C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000042726296 372952552 /nfs/dbraw/zinc/95/25/52/372952552.db2.gz HBPGZMIGFSPPPU-VIZOYTHASA-N 1 0 286.419 2.907 50 0 CFAARO C[C@@H]([NH2+]CCn1cccn1)c1ccc(F)c(F)c1 ZINC000042538915 372933732 /nfs/dbraw/zinc/93/37/32/372933732.db2.gz QSLYOBDYIXGUOX-SNVBAGLBSA-N 1 0 251.280 2.512 50 0 CFAARO CCOC(=O)c1ccccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042771196 372953616 /nfs/dbraw/zinc/95/36/16/372953616.db2.gz QDKVPCCAGFSCOV-CYBMUJFWSA-N 1 0 277.364 2.632 50 0 CFAARO Cc1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042772207 372954067 /nfs/dbraw/zinc/95/40/67/372954067.db2.gz VTOMBADNBHBIIH-JTQLQIEISA-N 1 0 270.170 2.746 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)c2ccccc2)o1 ZINC000042926481 372968899 /nfs/dbraw/zinc/96/88/99/372968899.db2.gz AXJFQTIGBZJQCX-HNNXBMFYSA-N 1 0 297.358 2.801 50 0 CFAARO COC[C@H]1CCC[N@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000043131169 372977707 /nfs/dbraw/zinc/97/77/07/372977707.db2.gz QTJRTZZZOZKBGA-GJZGRUSLSA-N 1 0 287.407 2.956 50 0 CFAARO Fc1ccc(COCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000042773933 372954706 /nfs/dbraw/zinc/95/47/06/372954706.db2.gz ZNPCLHKQSABSJQ-LLVKDONJSA-N 1 0 255.308 2.871 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Nc1cccnc1)c1cccs1 ZINC000048235964 373154523 /nfs/dbraw/zinc/15/45/23/373154523.db2.gz ADGGFULHCQOBEP-GFCCVEGCSA-N 1 0 290.392 2.568 50 0 CFAARO c1coc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 ZINC000048681095 373213996 /nfs/dbraw/zinc/21/39/96/373213996.db2.gz ZKABCGVBHDWTEJ-UHFFFAOYSA-N 1 0 297.314 2.688 50 0 CFAARO COc1ccc2cc(C[NH2+]CCn3cccn3)ccc2c1 ZINC000048449672 373184466 /nfs/dbraw/zinc/18/44/66/373184466.db2.gz WTCYKPFIDMUFMF-UHFFFAOYSA-N 1 0 281.359 2.835 50 0 CFAARO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048614555 373207811 /nfs/dbraw/zinc/20/78/11/373207811.db2.gz VFLYNYHINWGPMG-ZNMIVQPWSA-N 1 0 266.429 2.611 50 0 CFAARO CNC(=O)c1cc([C@H]2CC[C@H](C[NH3+])CC2)nc2ccccc21 ZINC000245204735 189916103 /nfs/dbraw/zinc/91/61/03/189916103.db2.gz GPMCHRMNRKHAMF-JOCQHMNTSA-N 1 0 297.402 2.827 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2F)C1 ZINC000049479566 373302099 /nfs/dbraw/zinc/30/20/99/373302099.db2.gz JVHJNFWYEPDBFK-CYBMUJFWSA-N 1 0 278.371 2.676 50 0 CFAARO CC(C)[N@H+](CCO)Cc1ccc(Br)cc1 ZINC000049802023 373318998 /nfs/dbraw/zinc/31/89/98/373318998.db2.gz IGMDWDJDPQOQPW-UHFFFAOYSA-N 1 0 272.186 2.652 50 0 CFAARO C[N@H+](CCc1ccccc1)CC(=O)N1CCc2ccccc21 ZINC000051998331 373426215 /nfs/dbraw/zinc/42/62/15/373426215.db2.gz CJICVXJOVFPUQG-UHFFFAOYSA-N 1 0 294.398 2.750 50 0 CFAARO O[C@@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000051203929 373388095 /nfs/dbraw/zinc/38/80/95/373388095.db2.gz VSIPJRKEEBBXHO-GFCCVEGCSA-N 1 0 276.767 2.845 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCC(C)C ZINC000051451257 373396977 /nfs/dbraw/zinc/39/69/77/373396977.db2.gz NTLJVWSVOCHAFO-OAHLLOKOSA-N 1 0 265.397 2.713 50 0 CFAARO OCCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000052213966 373441139 /nfs/dbraw/zinc/44/11/39/373441139.db2.gz HUPCYXMAKSZWKI-ZDUSSCGKSA-N 1 0 284.197 2.968 50 0 CFAARO CN(C(=O)c1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC000052537367 373444195 /nfs/dbraw/zinc/44/41/95/373444195.db2.gz SVAJHYOFVIDUKW-UHFFFAOYSA-N 1 0 284.762 2.645 50 0 CFAARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)on1 ZINC000054225366 373506129 /nfs/dbraw/zinc/50/61/29/373506129.db2.gz HKBDFWLQPHQUKP-DZGCQCFKSA-N 1 0 299.374 2.548 50 0 CFAARO c1ccc(CC[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000057353447 373589618 /nfs/dbraw/zinc/58/96/18/373589618.db2.gz FMXDVIUKBAASNR-UHFFFAOYSA-N 1 0 265.360 2.938 50 0 CFAARO Cc1cc(N)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057381072 373592329 /nfs/dbraw/zinc/59/23/29/373592329.db2.gz BOCASUBGRHAHHZ-UHFFFAOYSA-N 1 0 281.403 2.899 50 0 CFAARO CC[C@H](C)Oc1ccc(C[NH2+]CCNC(C)=O)cc1Cl ZINC000055211353 373544965 /nfs/dbraw/zinc/54/49/65/373544965.db2.gz AZGDLHYGGGVKRS-NSHDSACASA-N 1 0 298.814 2.743 50 0 CFAARO CCn1cc(C[N@@H+](Cc2ccc(CO)o2)CC(C)C)cn1 ZINC000055282929 373547706 /nfs/dbraw/zinc/54/77/06/373547706.db2.gz QGLVDQYRWVNVIN-UHFFFAOYSA-N 1 0 291.395 2.647 50 0 CFAARO CC[C@H](C)[N@H+](Cc1ccncc1)Cc1cnc(OC)nc1 ZINC000055414199 373551412 /nfs/dbraw/zinc/55/14/12/373551412.db2.gz WYNSBBWBBAEZPH-ZDUSSCGKSA-N 1 0 286.379 2.681 50 0 CFAARO CC(=O)Oc1c(C)cc(C[NH2+]C2(CO)CCCC2)cc1C ZINC000055404157 373551727 /nfs/dbraw/zinc/55/17/27/373551727.db2.gz BDKNZGNBQIPLTK-UHFFFAOYSA-N 1 0 291.391 2.623 50 0 CFAARO COc1cccc(-n2ccnc2SCC[NH+](C)C)c1 ZINC000058140558 373627510 /nfs/dbraw/zinc/62/75/10/373627510.db2.gz LPRXMZGJJYPVMN-UHFFFAOYSA-N 1 0 277.393 2.535 50 0 CFAARO C[NH+](C)C[C@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000058177648 373629235 /nfs/dbraw/zinc/62/92/35/373629235.db2.gz HQWUCVKLUBMZNG-OAHLLOKOSA-N 1 0 292.398 2.701 50 0 CFAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)CN2 ZINC000058381153 373652113 /nfs/dbraw/zinc/65/21/13/373652113.db2.gz PNMNEOPWTUXSCD-KBXCAEBGSA-N 1 0 296.418 2.974 50 0 CFAARO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000059182783 373678461 /nfs/dbraw/zinc/67/84/61/373678461.db2.gz JJZRERDJXSZNIT-KGLIPLIRSA-N 1 0 265.328 2.647 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@@]23c2ccccc2NC3=O)c1 ZINC000062001345 373742964 /nfs/dbraw/zinc/74/29/64/373742964.db2.gz FZBOBMBMYJZHKX-FUHWJXTLSA-N 1 0 294.354 2.620 50 0 CFAARO CCC[N@H+](Cc1cccnc1)Cc1nc(C)ccc1O ZINC000063855825 373817071 /nfs/dbraw/zinc/81/70/71/373817071.db2.gz QECNWWOSTBSSIS-UHFFFAOYSA-N 1 0 271.364 2.903 50 0 CFAARO Cc1c(C[N@H+](C)CCCc2ccccc2)cnn1C ZINC000065501102 373880482 /nfs/dbraw/zinc/88/04/82/373880482.db2.gz HFUBDLIUTZOCOD-UHFFFAOYSA-N 1 0 257.381 2.793 50 0 CFAARO COc1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ncn1 ZINC000065532921 373884105 /nfs/dbraw/zinc/88/41/05/373884105.db2.gz PHNCYWFJYDSTTA-UHFFFAOYSA-N 1 0 278.400 2.549 50 0 CFAARO CCCc1nc(C)cc(NCC23CCC[NH+]2CCC3)n1 ZINC000065535904 373885234 /nfs/dbraw/zinc/88/52/34/373885234.db2.gz OJQVSSPSERIDCF-UHFFFAOYSA-N 1 0 274.412 2.778 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000065539184 373885593 /nfs/dbraw/zinc/88/55/93/373885593.db2.gz QMWSHWXZSAGCFC-KRWDZBQOSA-N 1 0 299.374 2.730 50 0 CFAARO CC[C@@H](C)NC(=O)c1cc(C)n(CC[NH+]2CCCC2)c1C ZINC000065178101 373848163 /nfs/dbraw/zinc/84/81/63/373848163.db2.gz WLZUIJUYULVXNE-CYBMUJFWSA-N 1 0 291.439 2.729 50 0 CFAARO CCn1cnnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065287810 373853611 /nfs/dbraw/zinc/85/36/11/373853611.db2.gz DGISDRUXYFRNKC-CYBMUJFWSA-N 1 0 262.401 2.810 50 0 CFAARO COCC[NH+]1CCC(c2[nH]cnc2-c2ccccc2)CC1 ZINC000065369730 373859453 /nfs/dbraw/zinc/85/94/53/373859453.db2.gz XDIGKQRIPWANOF-UHFFFAOYSA-N 1 0 285.391 2.903 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1C ZINC000065396962 373866233 /nfs/dbraw/zinc/86/62/33/373866233.db2.gz JOMMRXFHGSTTFT-LBPRGKRZSA-N 1 0 296.386 2.866 50 0 CFAARO CCOc1ccc(CN(C)C[C@]2(C)CC[N@H+](C)C2)cc1 ZINC000065456073 373872206 /nfs/dbraw/zinc/87/22/06/373872206.db2.gz XAFMMHDHPYMDFU-QGZVFWFLSA-N 1 0 276.424 2.859 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000065459173 373875337 /nfs/dbraw/zinc/87/53/37/373875337.db2.gz JGAQDKRYBRHFEJ-UHFFFAOYSA-N 1 0 286.379 2.724 50 0 CFAARO COc1ccc(C)cc1CC[NH2+]Cc1c(C)n[nH]c1C ZINC000065474807 373877401 /nfs/dbraw/zinc/87/74/01/373877401.db2.gz MKSUTUTVFYHXQO-UHFFFAOYSA-N 1 0 273.380 2.676 50 0 CFAARO C[C@H]1CN(Cc2cccc(C[NH2+]C3CCCC3)c2)CCO1 ZINC000066875192 373960819 /nfs/dbraw/zinc/96/08/19/373960819.db2.gz VFOXXPVJXONHQT-HNNXBMFYSA-N 1 0 288.435 2.940 50 0 CFAARO COCC[N@H+](C)[C@H](c1ccccc1)c1ccccn1 ZINC000066540363 373937240 /nfs/dbraw/zinc/93/72/40/373937240.db2.gz GPGGFJASOCJSRO-MRXNPFEDSA-N 1 0 256.349 2.749 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(O)c(C)c2)C1 ZINC000067772303 374002285 /nfs/dbraw/zinc/00/22/85/374002285.db2.gz TZRWMMBZPUCHDK-AWEZNQCLSA-N 1 0 290.407 2.552 50 0 CFAARO C[NH+](C)CCCn1ccnc1-c1c(F)cccc1F ZINC000067821485 374006508 /nfs/dbraw/zinc/00/65/08/374006508.db2.gz PAJHANAKBOIMDR-UHFFFAOYSA-N 1 0 265.307 2.780 50 0 CFAARO Cn1ccnc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000067818559 374007321 /nfs/dbraw/zinc/00/73/21/374007321.db2.gz HSRLUKQEGMZDAK-OAHLLOKOSA-N 1 0 285.391 2.867 50 0 CFAARO C[NH+](C)Cc1ccccc1Oc1ccc(C(N)=O)cc1 ZINC000067852412 374009119 /nfs/dbraw/zinc/00/91/19/374009119.db2.gz GYXIYSQXGCVVPX-UHFFFAOYSA-N 1 0 270.332 2.639 50 0 CFAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1[nH]c2ccc(F)cc2c1C ZINC000067884444 374013163 /nfs/dbraw/zinc/01/31/63/374013163.db2.gz DPGFSQIOUTUOBU-SNVBAGLBSA-N 1 0 291.370 2.572 50 0 CFAARO CCn1ccc2ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C)cc21 ZINC000067967192 374017708 /nfs/dbraw/zinc/01/77/08/374017708.db2.gz IEUYRTCMIRXVMN-CYBMUJFWSA-N 1 0 287.407 2.570 50 0 CFAARO C[C@@H](c1cccnc1)N(C)Cc1cnc(N2CCCC2)nc1 ZINC000067964803 374017848 /nfs/dbraw/zinc/01/78/48/374017848.db2.gz PDDJEISPGNBDJK-AWEZNQCLSA-N 1 0 297.406 2.665 50 0 CFAARO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000067983035 374020431 /nfs/dbraw/zinc/02/04/31/374020431.db2.gz QMIMYVAKGDNFMH-HNNXBMFYSA-N 1 0 278.440 2.805 50 0 CFAARO COc1cccc2ccc(-c3nccn3CC[NH+](C)C)nc21 ZINC000067459971 373979328 /nfs/dbraw/zinc/97/93/28/373979328.db2.gz FWZGMDLAZCVEQF-UHFFFAOYSA-N 1 0 296.374 2.669 50 0 CFAARO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000067472756 373981146 /nfs/dbraw/zinc/98/11/46/373981146.db2.gz OOZNGGDRTZEAMH-CQSZACIVSA-N 1 0 299.418 2.856 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(CCOCc2ccccc2)C1 ZINC000067491380 373981947 /nfs/dbraw/zinc/98/19/47/373981947.db2.gz PDMXBNCITQACAB-INIZCTEOSA-N 1 0 288.435 2.762 50 0 CFAARO COc1ccc(F)cc1-c1cc2c(c(F)c1)O[C@@H](C[NH3+])C2 ZINC000067542040 373983302 /nfs/dbraw/zinc/98/33/02/373983302.db2.gz MZRJRBKONFVLTJ-GFCCVEGCSA-N 1 0 291.297 2.903 50 0 CFAARO COc1ccc2[nH]c(C[NH2+][C@@H](C)Cn3ccnc3)cc2c1 ZINC000067541795 373983957 /nfs/dbraw/zinc/98/39/57/373983957.db2.gz YPUREYZAULHRBO-LBPRGKRZSA-N 1 0 284.363 2.551 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2nc3ccccc3[nH]2)n1 ZINC000067649260 373987098 /nfs/dbraw/zinc/98/70/98/373987098.db2.gz QTBKCYDVPKDUSR-ZDUSSCGKSA-N 1 0 297.406 2.597 50 0 CFAARO CCn1ccc2ccc(C[N@@H+]3CC[C@@H](CNC(C)=O)C3)cc21 ZINC000067674995 373989473 /nfs/dbraw/zinc/98/94/73/373989473.db2.gz ZGIYGTXHGNKTMY-INIZCTEOSA-N 1 0 299.418 2.619 50 0 CFAARO CSCCc1nc(C(C)C)nn1-c1cc[nH+]cc1C ZINC000067677240 373991634 /nfs/dbraw/zinc/99/16/34/373991634.db2.gz RTHKTGNEDLYZGK-UHFFFAOYSA-N 1 0 276.409 3.000 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)Cn2cc(C)cn2)cc1F ZINC000069599055 374079316 /nfs/dbraw/zinc/07/93/16/374079316.db2.gz XTTXWEZWEIMCRN-LBPRGKRZSA-N 1 0 277.343 2.518 50 0 CFAARO CCc1noc([C@@H](C)N2CC[NH+](CC3CCCC3)CC2)n1 ZINC000069626578 374080403 /nfs/dbraw/zinc/08/04/03/374080403.db2.gz JVTCKFNMWBRWAR-CYBMUJFWSA-N 1 0 292.427 2.501 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000069645147 374080831 /nfs/dbraw/zinc/08/08/31/374080831.db2.gz OTDBFALOTYPTPI-INIZCTEOSA-N 1 0 286.375 2.521 50 0 CFAARO CC[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000069322697 374053472 /nfs/dbraw/zinc/05/34/72/374053472.db2.gz UKYLHAJIMZXLGT-MRXNPFEDSA-N 1 0 274.408 2.733 50 0 CFAARO COCC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000069663555 374082435 /nfs/dbraw/zinc/08/24/35/374082435.db2.gz WNGAVCPJHMFUAN-UHFFFAOYSA-N 1 0 269.772 2.582 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000069490128 374067574 /nfs/dbraw/zinc/06/75/74/374067574.db2.gz YCWMERQZGNZEOZ-HNNXBMFYSA-N 1 0 295.390 2.556 50 0 CFAARO CC[N@H+](C)[C@@H](C(=O)NCCc1ccco1)c1ccccc1 ZINC000069487899 374068377 /nfs/dbraw/zinc/06/83/77/374068377.db2.gz VPMDIMDRXIDHBG-MRXNPFEDSA-N 1 0 286.375 2.631 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069654228 374083001 /nfs/dbraw/zinc/08/30/01/374083001.db2.gz KQYKDJGMALWGDI-CVEARBPZSA-N 1 0 290.382 2.915 50 0 CFAARO Cc1noc(C)c1CN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000069538295 374073145 /nfs/dbraw/zinc/07/31/45/374073145.db2.gz JUXWTWKJWRKKHU-HNNXBMFYSA-N 1 0 277.412 2.742 50 0 CFAARO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000069922585 374109622 /nfs/dbraw/zinc/10/96/22/374109622.db2.gz BNXNKQOTBPMJDY-NSHDSACASA-N 1 0 265.307 2.821 50 0 CFAARO FC(F)(F)COc1cccc(C[NH2+]CCn2cccn2)c1 ZINC000069927279 374110095 /nfs/dbraw/zinc/11/00/95/374110095.db2.gz LSIPTEIBVYYDES-UHFFFAOYSA-N 1 0 299.296 2.614 50 0 CFAARO C[C@H]([NH2+]Cc1nc2ccccc2o1)[C@H](C)n1cccn1 ZINC000069951422 374111580 /nfs/dbraw/zinc/11/15/80/374111580.db2.gz VILMUCGSTRUVFM-RYUDHWBXSA-N 1 0 270.336 2.764 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000070011001 374113788 /nfs/dbraw/zinc/11/37/88/374113788.db2.gz IZRUSOBGAIFWDV-HOTGVXAUSA-N 1 0 264.413 2.652 50 0 CFAARO O[C@H](CN1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000069668339 374084702 /nfs/dbraw/zinc/08/47/02/374084702.db2.gz UKKHXZPANGNSCE-ZWKOTPCHSA-N 1 0 288.435 2.670 50 0 CFAARO CCC(CC)NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069701452 374086870 /nfs/dbraw/zinc/08/68/70/374086870.db2.gz LVBOKVLJGORWTE-OAHLLOKOSA-N 1 0 274.408 2.781 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000069820184 374102170 /nfs/dbraw/zinc/10/21/70/374102170.db2.gz HCMPXLRGRKOJNT-SFHVURJKSA-N 1 0 298.434 2.850 50 0 CFAARO C[C@H]([NH2+]C(C)(C)CNCc1cnn(C)c1)c1ccccc1 ZINC000069898373 374106896 /nfs/dbraw/zinc/10/68/96/374106896.db2.gz MNFUAXJDAJIBLS-AWEZNQCLSA-N 1 0 286.423 2.639 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000070177094 374141259 /nfs/dbraw/zinc/14/12/59/374141259.db2.gz TZLZEYGUTCMCEZ-JQWIXIFHSA-N 1 0 266.410 2.510 50 0 CFAARO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1nccn1C ZINC000070443516 374176097 /nfs/dbraw/zinc/17/60/97/374176097.db2.gz PDCXDFPEHGMFEV-LBPRGKRZSA-N 1 0 268.364 2.795 50 0 CFAARO Cc1ncsc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000071212766 374214533 /nfs/dbraw/zinc/21/45/33/374214533.db2.gz ZNAUWSPZBZHDIX-UHFFFAOYSA-N 1 0 288.420 2.605 50 0 CFAARO Cc1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000071335279 374215828 /nfs/dbraw/zinc/21/58/28/374215828.db2.gz AIOMUVZJDREUTB-UHFFFAOYSA-N 1 0 276.380 2.704 50 0 CFAARO CC[N@@H+]1CCC[C@@H](c2nccn2CC2(O)CCCCC2)C1 ZINC000071721500 374218889 /nfs/dbraw/zinc/21/88/89/374218889.db2.gz DNUVCUFDDFITBF-OAHLLOKOSA-N 1 0 291.439 2.778 50 0 CFAARO c1ncc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)[nH]1 ZINC000072447198 374252909 /nfs/dbraw/zinc/25/29/09/374252909.db2.gz DDVVJUBAWBWBNL-LBPRGKRZSA-N 1 0 281.363 2.666 50 0 CFAARO Cc1ncsc1CC[N@@H+](C)Cc1cccc2nonc21 ZINC000072459071 374253749 /nfs/dbraw/zinc/25/37/49/374253749.db2.gz GEVRHKHEAZRVKG-UHFFFAOYSA-N 1 0 288.376 2.662 50 0 CFAARO CO[C@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072475016 374255131 /nfs/dbraw/zinc/25/51/31/374255131.db2.gz KJBGHHWBVSQIOW-INIZCTEOSA-N 1 0 277.408 2.611 50 0 CFAARO CC[NH+]1CCC(N(C)Cc2ccccc2N(C)C)CC1 ZINC000072559159 374265260 /nfs/dbraw/zinc/26/52/60/374265260.db2.gz LAXNFDPQRZMAFU-UHFFFAOYSA-N 1 0 275.440 2.669 50 0 CFAARO C[C@@H]1CCC[C@@H](CC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000072273298 374240040 /nfs/dbraw/zinc/24/00/40/374240040.db2.gz XDRCHXIBLMXJAU-KFWWJZLASA-N 1 0 266.429 2.661 50 0 CFAARO Cc1ccc(F)cc1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000072293069 374242103 /nfs/dbraw/zinc/24/21/03/374242103.db2.gz GCQVDCAGBDVYGC-LLVKDONJSA-N 1 0 250.317 2.557 50 0 CFAARO COCC[N@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801597 374286994 /nfs/dbraw/zinc/28/69/94/374286994.db2.gz OBHPTLHODKQCBU-UHFFFAOYSA-N 1 0 282.815 2.887 50 0 CFAARO C[C@@H]1C[C@@H]([N@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181992 374328479 /nfs/dbraw/zinc/32/84/79/374328479.db2.gz QWXTXFFZGWJHRO-QDCKZUPOSA-N 1 0 277.408 2.839 50 0 CFAARO Cc1cc(C[NH2+]CC(C)(C)O)ccc1Br ZINC000073852769 374392828 /nfs/dbraw/zinc/39/28/28/374392828.db2.gz VSTHHRDSRXONBZ-UHFFFAOYSA-N 1 0 272.186 2.618 50 0 CFAARO CC[C@@H](NC(=O)CCC[NH+]1CCCCC1)c1nccs1 ZINC000073859704 374392859 /nfs/dbraw/zinc/39/28/59/374392859.db2.gz GUSUMNOPOJJYEK-CYBMUJFWSA-N 1 0 295.452 2.977 50 0 CFAARO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000075132244 374460171 /nfs/dbraw/zinc/46/01/71/374460171.db2.gz XSAVNRBSNHCAPL-OAHLLOKOSA-N 1 0 288.395 2.979 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2SC)cc1 ZINC000076147384 374538227 /nfs/dbraw/zinc/53/82/27/374538227.db2.gz IZCUKMUINVPBRC-CABCVRRESA-N 1 0 292.448 2.762 50 0 CFAARO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccccc2)cc1 ZINC000079091226 374594086 /nfs/dbraw/zinc/59/40/86/374594086.db2.gz WXAJABABIRSYGO-QGZVFWFLSA-N 1 0 271.360 2.861 50 0 CFAARO C[C@@H]1C[C@@H](NCc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338361 374649846 /nfs/dbraw/zinc/64/98/46/374649846.db2.gz MZSLYYFQKYPXIQ-ZBFHGGJFSA-N 1 0 284.407 2.552 50 0 CFAARO Cc1nc2[nH]ccc2c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000081008894 374680925 /nfs/dbraw/zinc/68/09/25/374680925.db2.gz PPUUBHQIPZTQHR-KGLIPLIRSA-N 1 0 299.422 2.718 50 0 CFAARO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000083704389 374754356 /nfs/dbraw/zinc/75/43/56/374754356.db2.gz KGQDKQBTTVUIMI-XJKSGUPXSA-N 1 0 262.372 2.884 50 0 CFAARO CCc1[nH]c2c(cc(C)cc2CNC(=O)C[NH+](C)C)c1C ZINC000082115005 374726104 /nfs/dbraw/zinc/72/61/04/374726104.db2.gz GCUJLXVFNPVELU-UHFFFAOYSA-N 1 0 287.407 2.525 50 0 CFAARO C[NH2+]C(C)(C)CNc1ncnc2sc(C)c(C)c21 ZINC000084065523 374762714 /nfs/dbraw/zinc/76/27/14/374762714.db2.gz GWNDAYRGECVVBM-UHFFFAOYSA-N 1 0 264.398 2.718 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC(C2CC2)C2CC2)C1 ZINC000084597487 374783218 /nfs/dbraw/zinc/78/32/18/374783218.db2.gz GKARATYDYVGKNL-ZDUSSCGKSA-N 1 0 293.455 2.595 50 0 CFAARO [NH3+][C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000087859017 374833889 /nfs/dbraw/zinc/83/38/89/374833889.db2.gz MEDMOVJGPKLNJJ-BBRMVZONSA-N 1 0 273.307 2.536 50 0 CFAARO Cc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)c1 ZINC000089629279 374929531 /nfs/dbraw/zinc/92/95/31/374929531.db2.gz PTBGFUABEMZARC-CYBMUJFWSA-N 1 0 283.437 2.859 50 0 CFAARO Cc1csc(C2([NH2+]C[C@@H](O)COC(C)C)CCCC2)n1 ZINC000089705458 374940570 /nfs/dbraw/zinc/94/05/70/374940570.db2.gz POAAYGNGKKJGIZ-CYBMUJFWSA-N 1 0 298.452 2.596 50 0 CFAARO C(C1CC1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000089819271 374957839 /nfs/dbraw/zinc/95/78/39/374957839.db2.gz ZCYQXAKHDBGLRJ-CQSZACIVSA-N 1 0 274.412 2.594 50 0 CFAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000089948948 374974817 /nfs/dbraw/zinc/97/48/17/374974817.db2.gz PKFNFGBCXMGKIT-GOEBONIOSA-N 1 0 292.423 2.961 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000090201433 375001919 /nfs/dbraw/zinc/00/19/19/375001919.db2.gz TYVNWNIOYGXHNN-ZDUSSCGKSA-N 1 0 279.384 2.504 50 0 CFAARO C[S@](=O)c1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000090221003 375003861 /nfs/dbraw/zinc/00/38/61/375003861.db2.gz LDDKOWJYECPVER-JLTOFOAXSA-N 1 0 295.448 2.860 50 0 CFAARO Cc1csc(C(=O)N2CCCSC[C@H]2C[NH+](C)C)c1 ZINC000090700165 375023657 /nfs/dbraw/zinc/02/36/57/375023657.db2.gz RNUNMFANKGXTCQ-GFCCVEGCSA-N 1 0 298.477 2.566 50 0 CFAARO c1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cs1 ZINC000093134499 375191482 /nfs/dbraw/zinc/19/14/82/375191482.db2.gz ZDQZHIBKABKSCI-CYBMUJFWSA-N 1 0 288.420 2.665 50 0 CFAARO Clc1cnccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094266986 375348732 /nfs/dbraw/zinc/34/87/32/375348732.db2.gz STLKZQAMSGBZTP-WDEREUQCSA-N 1 0 251.761 2.774 50 0 CFAARO CC(C)c1cc(-c2nc(CC3CC[NH+](C)CC3)no2)on1 ZINC000096165965 375473418 /nfs/dbraw/zinc/47/34/18/375473418.db2.gz TUJOOEZEMLVSLI-UHFFFAOYSA-N 1 0 290.367 2.732 50 0 CFAARO CCc1noc(C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000095358492 375419124 /nfs/dbraw/zinc/41/91/24/375419124.db2.gz PASLSUOWKZHWCM-UHFFFAOYSA-N 1 0 261.325 2.605 50 0 CFAARO CCc1c(C)[nH+]c(N)nc1NCCOCc1ccccc1 ZINC000095360027 375419385 /nfs/dbraw/zinc/41/93/85/375419385.db2.gz WQRIWIURSKDCKR-UHFFFAOYSA-N 1 0 286.379 2.558 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1Cn1sc2ccccc2c1=O ZINC000095366415 375421205 /nfs/dbraw/zinc/42/12/05/375421205.db2.gz NPODVIUTFCBYEZ-LLVKDONJSA-N 1 0 262.378 2.547 50 0 CFAARO CC[NH+]1CCC(CC(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000095365392 375421503 /nfs/dbraw/zinc/42/15/03/375421503.db2.gz QNMVRGKJXCOMBN-IXDOHACOSA-N 1 0 290.451 2.827 50 0 CFAARO Cc1ccc(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)o1 ZINC000095372096 375422815 /nfs/dbraw/zinc/42/28/15/375422815.db2.gz GXFVKUAALYDXHN-AWEZNQCLSA-N 1 0 278.396 2.511 50 0 CFAARO Cc1cnc(NC[C@H](c2cccnc2)[NH+]2CCCCC2)nc1 ZINC000095368755 375422999 /nfs/dbraw/zinc/42/29/99/375422999.db2.gz ZKWHZFHNXWYCJK-MRXNPFEDSA-N 1 0 297.406 2.819 50 0 CFAARO Clc1ccc([C@H]2CN(CC[NH+]3CCCC3)CCO2)cc1 ZINC000095369463 375423821 /nfs/dbraw/zinc/42/38/21/375423821.db2.gz HTBFWCSAADXXGZ-MRXNPFEDSA-N 1 0 294.826 2.809 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1c1nc(-c2cn3ccccc3n2)no1 ZINC000095384693 375427458 /nfs/dbraw/zinc/42/74/58/375427458.db2.gz ZVAGTSOZXZXJDM-ZDUSSCGKSA-N 1 0 297.362 2.931 50 0 CFAARO COc1cccc(OC2CN(c3cc(C)[nH+]c(C)c3)C2)c1 ZINC000096151581 375470613 /nfs/dbraw/zinc/47/06/13/375470613.db2.gz BWTKUWWGWCCDFZ-UHFFFAOYSA-N 1 0 284.359 2.975 50 0 CFAARO C[C@@H](Cc1nc2ccccc2s1)[NH2+]Cc1ccnn1C ZINC000095420190 375440225 /nfs/dbraw/zinc/44/02/25/375440225.db2.gz ZLCKBVWMKJVVKI-NSHDSACASA-N 1 0 286.404 2.751 50 0 CFAARO c1ccc2c(c1)CC[C@@H]2[NH2+]CCOc1cccnc1 ZINC000095422452 375440710 /nfs/dbraw/zinc/44/07/10/375440710.db2.gz OZKWWPSEBNGTBS-INIZCTEOSA-N 1 0 254.333 2.738 50 0 CFAARO C[C@H]([NH2+]CCCn1cccn1)c1ccc(F)cc1N(C)C ZINC000095419835 375440793 /nfs/dbraw/zinc/44/07/93/375440793.db2.gz OXWLUEZAEXPJDQ-ZDUSSCGKSA-N 1 0 290.386 2.829 50 0 CFAARO C[C@@H](CC(=O)N(C)C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000095422193 375441018 /nfs/dbraw/zinc/44/10/18/375441018.db2.gz ZALDKVHDTPEJCU-ZBEGNZNMSA-N 1 0 278.371 2.733 50 0 CFAARO CC1(C)C[C@@H]([NH2+]CCCCn2ccccc2=O)C(C)(C)O1 ZINC000095421249 375441076 /nfs/dbraw/zinc/44/10/76/375441076.db2.gz GOHHVLUPJVNPKY-CQSZACIVSA-N 1 0 292.423 2.564 50 0 CFAARO Fc1ccc2c(c1)[C@@H]([NH2+]CCCn1cccn1)CC2 ZINC000095419827 375441414 /nfs/dbraw/zinc/44/14/14/375441414.db2.gz QCQFGTYWDZNZJS-HNNXBMFYSA-N 1 0 259.328 2.689 50 0 CFAARO c1ncn(CC[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)n1 ZINC000095426353 375443698 /nfs/dbraw/zinc/44/36/98/375443698.db2.gz BKTFDQBXFAUFBV-SJORKVTESA-N 1 0 282.391 2.679 50 0 CFAARO Cc1c(Cl)ccc(NC(=O)N2CC[C@@H]([NH3+])C2)c1Cl ZINC000096162118 375471885 /nfs/dbraw/zinc/47/18/85/375471885.db2.gz XOQXWRALDQIYPY-MRVPVSSYSA-N 1 0 288.178 2.867 50 0 CFAARO CC(C)(CO)[C@H](C[NH2+]Cc1ccccn1)c1ccccc1 ZINC000095431280 375446675 /nfs/dbraw/zinc/44/66/75/375446675.db2.gz VNHVBMWAWOUKNG-QGZVFWFLSA-N 1 0 284.403 2.974 50 0 CFAARO C[C@@H]1CCCCN1C(=O)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000095433944 375447123 /nfs/dbraw/zinc/44/71/23/375447123.db2.gz UIMHUKKOGBYEFX-HUUCEWRRSA-N 1 0 264.413 2.723 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCSc1ccccc1S(C)(=O)=O ZINC000095442175 375451307 /nfs/dbraw/zinc/45/13/07/375451307.db2.gz RTKUQMIOMLWJIQ-LBPRGKRZSA-N 1 0 299.461 2.667 50 0 CFAARO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cscn1 ZINC000095448914 375453146 /nfs/dbraw/zinc/45/31/46/375453146.db2.gz OILBUJGMFYPHLY-MWLCHTKSSA-N 1 0 268.407 2.806 50 0 CFAARO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000095455550 375454815 /nfs/dbraw/zinc/45/48/15/375454815.db2.gz TVOJGFLZPQZDPO-GXTWGEPZSA-N 1 0 279.380 2.751 50 0 CFAARO COc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000097162245 375533236 /nfs/dbraw/zinc/53/32/36/375533236.db2.gz POUYSNQQOSQOCF-UHFFFAOYSA-N 1 0 289.297 2.584 50 0 CFAARO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CC[NH3+])cc1 ZINC000097228799 375542332 /nfs/dbraw/zinc/54/23/32/375542332.db2.gz DYMGOWRFWZZNKW-HNNXBMFYSA-N 1 0 274.408 2.996 50 0 CFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000097019167 375497075 /nfs/dbraw/zinc/49/70/75/375497075.db2.gz IXZBTJBELFLBJX-INIZCTEOSA-N 1 0 286.419 2.739 50 0 CFAARO COC[C@H](C)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000097038055 375497972 /nfs/dbraw/zinc/49/79/72/375497972.db2.gz ZZBWTEBKYGQAMK-RRFJBIMHSA-N 1 0 292.423 2.743 50 0 CFAARO COC[C@H](C)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000097038052 375498585 /nfs/dbraw/zinc/49/85/85/375498585.db2.gz ZZBWTEBKYGQAMK-SOUVJXGZSA-N 1 0 292.423 2.743 50 0 CFAARO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000097234093 375543581 /nfs/dbraw/zinc/54/35/81/375543581.db2.gz KZHDCTHZAUZDRM-UKRRQHHQSA-N 1 0 271.364 2.775 50 0 CFAARO CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2csnn2)CCO1 ZINC000097048904 375502721 /nfs/dbraw/zinc/50/27/21/375502721.db2.gz MNQTVNFIXCUHCV-WCQYABFASA-N 1 0 269.414 2.612 50 0 CFAARO COc1ccc(C2(C[NH2+][C@H](C)CCn3cccn3)CC2)cc1 ZINC000097049750 375503687 /nfs/dbraw/zinc/50/36/87/375503687.db2.gz VHGFKEFKMHAXLE-OAHLLOKOSA-N 1 0 299.418 2.992 50 0 CFAARO CCc1ccc(NC(=O)N2CCC[N@H+](C)CC2)cc1F ZINC000097052282 375504358 /nfs/dbraw/zinc/50/43/58/375504358.db2.gz KZENNXFOWJFCCB-UHFFFAOYSA-N 1 0 279.359 2.558 50 0 CFAARO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@H]2C)c1 ZINC000097094658 375514489 /nfs/dbraw/zinc/51/44/89/375514489.db2.gz MZAHHXKNYBXLQO-CQSZACIVSA-N 1 0 281.421 2.643 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000097096421 375516423 /nfs/dbraw/zinc/51/64/23/375516423.db2.gz QVJWLKXCBCVMEN-UONOGXRCSA-N 1 0 264.417 2.911 50 0 CFAARO CC(=O)N1CCC(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000097098885 375517258 /nfs/dbraw/zinc/51/72/58/375517258.db2.gz RCCNBDISHOJNAW-YOEHRIQHSA-N 1 0 278.440 2.827 50 0 CFAARO CC(C)(C)CC[NH2+][C@@H]1CCCN(c2cccnc2)C1=O ZINC000097103996 375519901 /nfs/dbraw/zinc/51/99/01/375519901.db2.gz GBDLJJNFCFJJCY-CQSZACIVSA-N 1 0 275.396 2.603 50 0 CFAARO [NH3+]CCCN(Cc1cscn1)c1ccccc1F ZINC000097108655 375521882 /nfs/dbraw/zinc/52/18/82/375521882.db2.gz XVJXWSOEBFMWOQ-UHFFFAOYSA-N 1 0 265.357 2.638 50 0 CFAARO C[C@@H]1CCCC[C@@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000097108473 375522035 /nfs/dbraw/zinc/52/20/35/375522035.db2.gz ZFILPGGGRGTZSI-GXZXJKLZSA-N 1 0 257.443 2.656 50 0 CFAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097139200 375527762 /nfs/dbraw/zinc/52/77/62/375527762.db2.gz TUVVMUPIHSCSPM-ZDUSSCGKSA-N 1 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ARBOYYAMJZPWNZ-AWEZNQCLSA-N 1 0 255.365 2.582 50 0 CFAARO C[N@@H+]1CCCC[C@H]1C(=O)NCCCSc1ccccc1 ZINC000097575076 375568766 /nfs/dbraw/zinc/56/87/66/375568766.db2.gz QVMYGEZMRGWVQQ-HNNXBMFYSA-N 1 0 292.448 2.769 50 0 CFAARO CCCn1ncc(C[N@H+](C)C2CCSCC2)c1C ZINC000097674319 375577400 /nfs/dbraw/zinc/57/74/00/375577400.db2.gz VAOISROIEJCEQP-UHFFFAOYSA-N 1 0 267.442 2.929 50 0 CFAARO Cc1ccc(-c2nnc([C@H]3CC[C@H](C[NH3+])CC3)o2)cn1 ZINC000100652348 375626044 /nfs/dbraw/zinc/62/60/44/375626044.db2.gz CTFNUOBRMISUAN-TXEJJXNPSA-N 1 0 272.352 2.673 50 0 CFAARO C[C@@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000104011326 375764366 /nfs/dbraw/zinc/76/43/66/375764366.db2.gz YRHUUZVOZRYUGB-FRRDWIJNSA-N 1 0 280.437 2.903 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCC(=O)NCc2cccnc2)C[C@@H]1C ZINC000129209553 377400609 /nfs/dbraw/zinc/40/06/09/377400609.db2.gz XTIJTZFFCJHQNY-YCPHGPKFSA-N 1 0 289.423 2.502 50 0 CFAARO CC(=O)NC1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000132752367 377874097 /nfs/dbraw/zinc/87/40/97/377874097.db2.gz RVLVMSBZXHMTQP-QGLTVNCISA-N 1 0 278.396 2.994 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cncc(F)c1 ZINC000134793685 378049666 /nfs/dbraw/zinc/04/96/66/378049666.db2.gz OGOYOIRALYDIKH-HPEDKQMDSA-N 1 0 276.355 2.829 50 0 CFAARO CCCNC(=O)C1([NH2+]Cc2cccnc2C)CCCCC1 ZINC000154541432 378577579 /nfs/dbraw/zinc/57/75/79/378577579.db2.gz ZVUTVIDTNJDXOL-UHFFFAOYSA-N 1 0 289.423 2.709 50 0 CFAARO COC1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000130253242 284730364 /nfs/dbraw/zinc/73/03/64/284730364.db2.gz ZGGKJLOCBCQAKX-RYUDHWBXSA-N 1 0 295.345 2.893 50 0 CFAARO CC(=O)Nc1ccccc1CN(C)Cc1ccncc1 ZINC000170594875 379122654 /nfs/dbraw/zinc/12/26/54/379122654.db2.gz QBPIPSQCQXFTMM-UHFFFAOYSA-N 1 0 269.348 2.672 50 0 CFAARO CCCc1nc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)cs1 ZINC000170607222 379126526 /nfs/dbraw/zinc/12/65/26/379126526.db2.gz QRUGONRZGVJHGI-OCCSQVGLSA-N 1 0 268.426 2.736 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000172575611 379598560 /nfs/dbraw/zinc/59/85/60/379598560.db2.gz LFKRFSRBTDZNQA-MRXNPFEDSA-N 1 0 284.403 2.939 50 0 CFAARO Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000000002276 169503643 /nfs/dbraw/zinc/50/36/43/169503643.db2.gz HQIRNZOQPUAHHV-LLVKDONJSA-N 1 0 271.788 2.776 50 0 world CFAARO CC(=O)N1CCC[N@H+](Cc2cc3ccccc3s2)CC1 ZINC000179811276 380583595 /nfs/dbraw/zinc/58/35/95/380583595.db2.gz GFEPAANAMBQRGX-UHFFFAOYSA-N 1 0 288.416 2.956 50 0 CFAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)C2CCCC2)CC1 ZINC000409421012 380960066 /nfs/dbraw/zinc/96/00/66/380960066.db2.gz WQQMFNUVPNVVBQ-UHFFFAOYSA-N 1 0 289.423 2.929 50 0 CFAARO COC1CC([N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000408514970 380936044 /nfs/dbraw/zinc/93/60/44/380936044.db2.gz CXWVASZZUZWHRR-UHFFFAOYSA-N 1 0 283.375 2.829 50 0 CFAARO CCc1ccc([C@H](C)C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000408519210 380937798 /nfs/dbraw/zinc/93/77/98/380937798.db2.gz SHJFTEZMWZFQNM-DVOMOZLQSA-N 1 0 274.408 2.691 50 0 CFAARO OCC[C@H]1CC[N@H+](CCCc2cncc3ccccc32)C1 ZINC000408525509 380942969 /nfs/dbraw/zinc/94/29/69/380942969.db2.gz LWKYZNIOCFRYFV-OAHLLOKOSA-N 1 0 284.403 2.872 50 0 CFAARO Cc1c(C[N@H+]2CCC[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000000165155 169560158 /nfs/dbraw/zinc/56/01/58/169560158.db2.gz HTCXILRWISWNFQ-CQSZACIVSA-N 1 0 299.418 2.716 50 0 CFAARO CC(C)(C)[N@@H+]1CC[C@@](F)(c2nc(-c3ccncc3)no2)C1 ZINC000289666340 381091760 /nfs/dbraw/zinc/09/17/60/381091760.db2.gz ACOPMZAULXIWIJ-HNNXBMFYSA-N 1 0 290.342 2.801 50 0 CFAARO OC[C@@H]1CCCC[N@H+](Cc2sccc2Cl)C1 ZINC000373256261 381962821 /nfs/dbraw/zinc/96/28/21/381962821.db2.gz AIFOJMSDHJAXMM-SNVBAGLBSA-N 1 0 259.802 2.996 50 0 CFAARO COCC[NH2+]Cc1cc2ccc(Cl)cc2nc1N(C)C ZINC000299777551 382045993 /nfs/dbraw/zinc/04/59/93/382045993.db2.gz FFFJQKNURJTALO-UHFFFAOYSA-N 1 0 293.798 2.690 50 0 CFAARO c1csc(C2CN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)n1 ZINC000299773496 382046958 /nfs/dbraw/zinc/04/69/58/382046958.db2.gz DDNZQCMDHDIJLH-DZGCQCFKSA-N 1 0 291.464 2.807 50 0 CFAARO O=C(NC1CCC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299791988 382047614 /nfs/dbraw/zinc/04/76/14/382047614.db2.gz DCRZOUZMKHTQEQ-BBWFWOEESA-N 1 0 284.403 2.881 50 0 CFAARO O=C(CC[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000000453196 169644557 /nfs/dbraw/zinc/64/45/57/169644557.db2.gz WCPHOHCVISFQHF-UHFFFAOYSA-N 1 0 297.196 2.874 50 0 CFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(C)c(C)o1)C2 ZINC000039388174 184546301 /nfs/dbraw/zinc/54/63/01/184546301.db2.gz MUMWNQKOTCQDPD-AWEZNQCLSA-N 1 0 287.359 2.998 50 0 CFAARO C[NH+](C)CC(=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000328587156 382550732 /nfs/dbraw/zinc/55/07/32/382550732.db2.gz ZHHOWLNQEOPKHE-UHFFFAOYSA-N 1 0 280.371 2.627 50 0 CFAARO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189060584 382533658 /nfs/dbraw/zinc/53/36/58/382533658.db2.gz KMYQREVSDNVTDC-JTQLQIEISA-N 1 0 284.762 2.567 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000191363908 382699076 /nfs/dbraw/zinc/69/90/76/382699076.db2.gz ULLZZGMDYFTKLL-VWYCJHECSA-N 1 0 296.773 2.532 50 0 CFAARO CC[NH+]1CCN(c2cccc(NCc3ccncc3)c2)CC1 ZINC000191884658 382703060 /nfs/dbraw/zinc/70/30/60/382703060.db2.gz HDJLALRYARPERZ-UHFFFAOYSA-N 1 0 296.418 2.836 50 0 CFAARO CC(=O)N1CCC(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193131748 382716198 /nfs/dbraw/zinc/71/61/98/382716198.db2.gz GOEBSPYLULVTBD-WFASDCNBSA-N 1 0 266.429 2.659 50 0 CFAARO Cc1ccc(N2CCC([NH2+]C[C@H]3CCC=CO3)CC2)nc1 ZINC000191101093 382691444 /nfs/dbraw/zinc/69/14/44/382691444.db2.gz FDXINKMJZYAOGO-MRXNPFEDSA-N 1 0 287.407 2.641 50 0 CFAARO CC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000195549525 382769544 /nfs/dbraw/zinc/76/95/44/382769544.db2.gz URWBSVFZEIGXOS-KGLIPLIRSA-N 1 0 287.407 2.822 50 0 CFAARO Cc1c(C[NH2+]CCCc2ccccc2C)cnn1C ZINC000195546027 382769801 /nfs/dbraw/zinc/76/98/01/382769801.db2.gz BHVHLLGAMLGZJZ-UHFFFAOYSA-N 1 0 257.381 2.759 50 0 CFAARO COc1ccnc(CN[C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000195559725 382769812 /nfs/dbraw/zinc/76/98/12/382769812.db2.gz SSUXUIVDOYZOHH-GFCCVEGCSA-N 1 0 299.374 2.899 50 0 CFAARO Cc1cccc(-n2cc(C[N@@H+](C)C3CCOCC3)cn2)c1 ZINC000215198042 382778172 /nfs/dbraw/zinc/77/81/72/382778172.db2.gz OQQDSODDVFCONQ-UHFFFAOYSA-N 1 0 285.391 2.792 50 0 CFAARO C[C@H](C[NH+]1CCC(c2ccncn2)CC1)C(F)(F)F ZINC000215377391 382778372 /nfs/dbraw/zinc/77/83/72/382778372.db2.gz DNILYHFGYMBXEI-SNVBAGLBSA-N 1 0 273.302 2.854 50 0 CFAARO CCCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)o1 ZINC000215422677 382778475 /nfs/dbraw/zinc/77/84/75/382778475.db2.gz KRWKYVMGRSQWEH-UONOGXRCSA-N 1 0 262.397 2.758 50 0 CFAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000215571361 382779561 /nfs/dbraw/zinc/77/95/61/382779561.db2.gz NENKHRGSSUZAQY-HNNXBMFYSA-N 1 0 295.390 2.974 50 0 CFAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc4cc[nH]c43)C2)[nH]1 ZINC000215571320 382779849 /nfs/dbraw/zinc/77/98/49/382779849.db2.gz NENKHRGSSUZAQY-OAHLLOKOSA-N 1 0 295.390 2.974 50 0 CFAARO COc1cc(C[N@H+](C)CC2(CO)CCCC2)ccc1F ZINC000215600152 382779876 /nfs/dbraw/zinc/77/98/76/382779876.db2.gz AJWLKODSLPMXMI-UHFFFAOYSA-N 1 0 281.371 2.819 50 0 CFAARO Cc1ccc(CCCNC(=O)C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000215771133 382780151 /nfs/dbraw/zinc/78/01/51/382780151.db2.gz LHTBHTKQNRANRO-KRWDZBQOSA-N 1 0 288.435 2.918 50 0 CFAARO C[N@H+](Cc1cccc(Cn2cccn2)c1)C1CCOCC1 ZINC000215744942 382780175 /nfs/dbraw/zinc/78/01/75/382780175.db2.gz WSVRCQVKYWDAIB-UHFFFAOYSA-N 1 0 285.391 2.542 50 0 CFAARO COc1ccccc1C1CC[NH+](Cc2cncn2C)CC1 ZINC000215664058 382780391 /nfs/dbraw/zinc/78/03/91/382780391.db2.gz FUSIPALMIAAFAK-UHFFFAOYSA-N 1 0 285.391 2.808 50 0 CFAARO CCc1nccc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000215859894 382780556 /nfs/dbraw/zinc/78/05/56/382780556.db2.gz OBKXHQJKOIZEBV-KRWDZBQOSA-N 1 0 296.418 2.528 50 0 CFAARO Cc1c(F)cccc1C[N@H+](C)CCCn1cccn1 ZINC000215812591 382780869 /nfs/dbraw/zinc/78/08/69/382780869.db2.gz DPMKMSJMRKFDSO-UHFFFAOYSA-N 1 0 261.344 2.853 50 0 CFAARO CCc1nnc(C[N@H+](CC)C[C@@H]2CCOC(C)(C)C2)o1 ZINC000216011543 382781678 /nfs/dbraw/zinc/78/16/78/382781678.db2.gz FCCWPAFDJOQUPW-GFCCVEGCSA-N 1 0 281.400 2.659 50 0 CFAARO CCc1ccc(CN(C)Cc2ccncc2C)nc1 ZINC000216188935 382782123 /nfs/dbraw/zinc/78/21/23/382782123.db2.gz NYCJMYBZMIUGAN-UHFFFAOYSA-N 1 0 255.365 2.979 50 0 CFAARO CS[C@@H](C)CC[N@H+](C)CCc1c(C)n[nH]c1C ZINC000216213599 382782653 /nfs/dbraw/zinc/78/26/53/382782653.db2.gz HDADJGMQBMKRAW-JTQLQIEISA-N 1 0 255.431 2.642 50 0 CFAARO CC(C)Cc1ccc(C[N@H+](C)C[C@@H]2CC(=O)N(C)C2)cc1 ZINC000216292656 382783016 /nfs/dbraw/zinc/78/30/16/382783016.db2.gz MIJCFSUOKIXILJ-KRWDZBQOSA-N 1 0 288.435 2.795 50 0 CFAARO CC(=O)c1cc(CN(C)Cc2ccncc2C)n(C)c1 ZINC000216440994 382783746 /nfs/dbraw/zinc/78/37/46/382783746.db2.gz MTBVYTVLTHTGNV-UHFFFAOYSA-N 1 0 271.364 2.563 50 0 CFAARO O=C(c1ccc2ncccc2c1)N1CC([NH+]2CCCCC2)C1 ZINC000219921076 382795110 /nfs/dbraw/zinc/79/51/10/382795110.db2.gz WVGZGBWPDMPJFA-UHFFFAOYSA-N 1 0 295.386 2.545 50 0 CFAARO CSc1ncc(CN(C)CC[N@H+](C)C2CCCC2)cn1 ZINC000219206976 382792787 /nfs/dbraw/zinc/79/27/87/382792787.db2.gz JLFFSTXLFWNWCQ-UHFFFAOYSA-N 1 0 294.468 2.505 50 0 CFAARO Cc1ccc(N2CCC([NH2+][C@H]3C[C@@H]4OCC[C@H]34)CC2)cc1 ZINC000222762981 382803363 /nfs/dbraw/zinc/80/33/63/382803363.db2.gz FPEFDALZQINYIM-SQNIBIBYSA-N 1 0 286.419 2.731 50 0 CFAARO Fc1cccc(O[C@@H]2COCC[C@H]2[NH2+]C2CCCC2)c1 ZINC000223743175 382806612 /nfs/dbraw/zinc/80/66/12/382806612.db2.gz NGUQTQDOWQDPJJ-HZPDHXFCSA-N 1 0 279.355 2.894 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000225272583 382813890 /nfs/dbraw/zinc/81/38/90/382813890.db2.gz WGWDMBICIBRNAI-PBHICJAKSA-N 1 0 285.391 2.729 50 0 CFAARO Cc1cccc(-c2n[nH]cc2C[NH2+]C2CCC(O)CC2)c1 ZINC000225541551 382818124 /nfs/dbraw/zinc/81/81/24/382818124.db2.gz MVUPLMSQTPIFQV-UHFFFAOYSA-N 1 0 285.391 2.778 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000225563660 382818286 /nfs/dbraw/zinc/81/82/86/382818286.db2.gz MHWLXAGRVWUKOX-ZIAGYGMSSA-N 1 0 255.402 2.944 50 0 CFAARO Fc1cccc(OCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000230065932 382855090 /nfs/dbraw/zinc/85/50/90/382855090.db2.gz BLOYDQPNXRMDOQ-HZPDHXFCSA-N 1 0 279.355 2.848 50 0 CFAARO C/C(=C/C(=O)N1CCC(C[NH3+])CC1)c1ccc(F)cc1F ZINC000236620991 382899189 /nfs/dbraw/zinc/89/91/89/382899189.db2.gz TUZCHDDBPKXVDP-FLIBITNWSA-N 1 0 294.345 2.565 50 0 CFAARO CC(C)(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236629023 382900118 /nfs/dbraw/zinc/90/01/18/382900118.db2.gz YLHNJBOWPHNYOF-UPJWGTAASA-N 1 0 252.402 2.541 50 0 CFAARO CN(C(=O)[C@H]1C[C@@H]1c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000237091703 382950080 /nfs/dbraw/zinc/95/00/80/382950080.db2.gz RQAQOUVFHVZMPG-KGLIPLIRSA-N 1 0 292.810 2.654 50 0 CFAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000237487609 382961871 /nfs/dbraw/zinc/96/18/71/382961871.db2.gz SQCBPAKVNTWMML-AAEUAGOBSA-N 1 0 296.361 2.626 50 0 CFAARO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237497055 382962979 /nfs/dbraw/zinc/96/29/79/382962979.db2.gz PTWHZCLKKZBZHQ-ILXRZTDVSA-N 1 0 274.408 2.827 50 0 CFAARO CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236878772 382926067 /nfs/dbraw/zinc/92/60/67/382926067.db2.gz MJUIVTBTOXCHIM-UKRRQHHQSA-N 1 0 290.407 2.527 50 0 CFAARO Cc1cccc(NC(=O)CC[N@@H+](C)C2CCOCC2)c1C ZINC000240499932 382982563 /nfs/dbraw/zinc/98/25/63/382982563.db2.gz NPCQDBOIDDMXKY-UHFFFAOYSA-N 1 0 290.407 2.743 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2cccs2)C[C@H](C)O1 ZINC000241383082 382984046 /nfs/dbraw/zinc/98/40/46/382984046.db2.gz MSLOZIINFUGZID-RNJOBUHISA-N 1 0 269.410 2.717 50 0 CFAARO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccncc1 ZINC000242339002 382986038 /nfs/dbraw/zinc/98/60/38/382986038.db2.gz ZECYFNBJTFMRMD-CVEARBPZSA-N 1 0 259.397 2.530 50 0 CFAARO Cc1cccnc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000243892760 382987566 /nfs/dbraw/zinc/98/75/66/382987566.db2.gz AKUDUGGPEBPWLR-UHFFFAOYSA-N 1 0 278.359 2.866 50 0 CFAARO Cc1ccc2[nH]c(CN3CC([N@H+]4CCCC[C@H]4C)C3)nc2c1 ZINC000244691715 382988940 /nfs/dbraw/zinc/98/89/40/382988940.db2.gz JHYKSOZYIJFTBV-CQSZACIVSA-N 1 0 298.434 2.930 50 0 CFAARO Fc1ccc(C2=CC[N@H+](C[C@@H]3CCOC3)CC2)cc1 ZINC000244748656 382991254 /nfs/dbraw/zinc/99/12/54/382991254.db2.gz OLVRCPJMXLVRHN-ZDUSSCGKSA-N 1 0 261.340 2.951 50 0 CFAARO CCn1cncc1C[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000244734660 382991670 /nfs/dbraw/zinc/99/16/70/382991670.db2.gz NJQBJCKHGOCCRQ-AWEZNQCLSA-N 1 0 287.407 2.975 50 0 CFAARO COCCN(CC[C@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000244795206 382993023 /nfs/dbraw/zinc/99/30/23/382993023.db2.gz RBMKKKKROZRZDU-CQSZACIVSA-N 1 0 282.453 2.681 50 0 CFAARO c1ccc(CO[C@H]2CCC[N@@H+](C3CCSCC3)C2)nc1 ZINC000244852797 382993094 /nfs/dbraw/zinc/99/30/94/382993094.db2.gz UZEWATHUHSMVBV-INIZCTEOSA-N 1 0 292.448 2.958 50 0 CFAARO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCn1cncn1 ZINC000244811746 382993271 /nfs/dbraw/zinc/99/32/71/382993271.db2.gz SKLFVVGIOAEICC-NSHDSACASA-N 1 0 264.760 2.625 50 0 CFAARO Cc1nnc([C@@H]2CCC[N@H+](CCCc3ccco3)C2)[nH]1 ZINC000244874128 382994475 /nfs/dbraw/zinc/99/44/75/382994475.db2.gz WUWKUXOGHUNPIP-CYBMUJFWSA-N 1 0 274.368 2.518 50 0 CFAARO COc1ccc(Cl)cc1C[N@H+](C)CCc1cn[nH]c1 ZINC000244882902 382994645 /nfs/dbraw/zinc/99/46/45/382994645.db2.gz YBGMLBOZBPXTCX-UHFFFAOYSA-N 1 0 279.771 2.746 50 0 CFAARO c1n[nH]cc1CC[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000244900047 382995797 /nfs/dbraw/zinc/99/57/97/382995797.db2.gz ZVDPURHPBDKLOA-QGZVFWFLSA-N 1 0 284.407 2.835 50 0 CFAARO CC[C@H](C)N(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245550426 383005537 /nfs/dbraw/zinc/00/55/37/383005537.db2.gz HRFBMPZCSBIENV-CAOSSQGBSA-N 1 0 280.456 2.654 50 0 CFAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1 ZINC000237590512 382965560 /nfs/dbraw/zinc/96/55/60/382965560.db2.gz IXHZXLJJEKJGTI-SMDDNHRTSA-N 1 0 280.799 2.611 50 0 CFAARO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(C[NH3+])cc1 ZINC000237634814 382967350 /nfs/dbraw/zinc/96/73/50/382967350.db2.gz WMFQKIQVFXYSFD-CYBMUJFWSA-N 1 0 296.370 2.881 50 0 CFAARO Cc1ccc2cc(C(=O)N3CC[C@@H]([NH3+])C[C@@H]3C)c(C)nc2c1 ZINC000237619562 382967768 /nfs/dbraw/zinc/96/77/68/382967768.db2.gz MESOFNFHJHBBLC-SWLSCSKDSA-N 1 0 297.402 2.803 50 0 CFAARO Cc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH3+])C3)c(F)c2)cc1 ZINC000237713815 382970250 /nfs/dbraw/zinc/97/02/50/382970250.db2.gz FCDPQYRTDOHUPG-HNNXBMFYSA-N 1 0 298.361 2.974 50 0 CFAARO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000245906169 383046426 /nfs/dbraw/zinc/04/64/26/383046426.db2.gz TZDRFZOXRJREJY-YABSGUDNSA-N 1 0 291.420 2.670 50 0 CFAARO C[C@]1(C[NH2+]Cc2nncn2-c2ccccc2)CCCS1 ZINC000583650740 383091331 /nfs/dbraw/zinc/09/13/31/383091331.db2.gz ABABZGVCTKHIIL-OAHLLOKOSA-N 1 0 288.420 2.643 50 0 CFAARO CNc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1F ZINC000585121418 383115991 /nfs/dbraw/zinc/11/59/91/383115991.db2.gz OWRJNDRWYXHZLZ-UHFFFAOYSA-N 1 0 295.402 2.718 50 0 CFAARO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000585132334 383116625 /nfs/dbraw/zinc/11/66/25/383116625.db2.gz ULRCFFVEGJVDJE-HBUWYVDXSA-N 1 0 286.419 2.768 50 0 CFAARO Cn1cccc1C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000248131439 383212706 /nfs/dbraw/zinc/21/27/06/383212706.db2.gz NFNNGSVLJPULFU-KBPBESRZSA-N 1 0 260.381 2.720 50 0 CFAARO Fc1ccc(F)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000247545404 383182917 /nfs/dbraw/zinc/18/29/17/383182917.db2.gz UKHDZFLSTJLHBB-AWEZNQCLSA-N 1 0 266.335 2.635 50 0 CFAARO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000248001950 383206176 /nfs/dbraw/zinc/20/61/76/383206176.db2.gz OBJGQKDFHUGAFB-VXGBXAGGSA-N 1 0 294.361 2.956 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000248010675 383206300 /nfs/dbraw/zinc/20/63/00/383206300.db2.gz XUUHWBJKVBJCFR-ZNMIVQPWSA-N 1 0 266.429 2.946 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccccc1F ZINC000248148515 383214583 /nfs/dbraw/zinc/21/45/83/383214583.db2.gz SNGIBDXFNZKJDM-LSDHHAIUSA-N 1 0 276.355 2.525 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000248122927 383211498 /nfs/dbraw/zinc/21/14/98/383211498.db2.gz KPZKKQMSCCAWDR-DLBZAZTESA-N 1 0 297.402 2.867 50 0 CFAARO CC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)C1CCC1 ZINC000449078910 383165174 /nfs/dbraw/zinc/16/51/74/383165174.db2.gz WTNOUPNKWPDDML-OAHLLOKOSA-N 1 0 270.380 2.936 50 0 CFAARO C[N@H+](CCn1cc(Cl)cn1)C(C1CC1)C1CC1 ZINC000252502439 383415442 /nfs/dbraw/zinc/41/54/42/383415442.db2.gz UQILBUGSEHMNAI-UHFFFAOYSA-N 1 0 253.777 2.657 50 0 CFAARO CSc1nc(N)cc(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000426479808 383401181 /nfs/dbraw/zinc/40/11/81/383401181.db2.gz UHCXBVKITDBLAF-SNVBAGLBSA-N 1 0 288.420 2.901 50 0 CFAARO Cc1nnc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)[nH]1 ZINC000426518314 383404271 /nfs/dbraw/zinc/40/42/71/383404271.db2.gz LKWQDQZWHSGGKG-CQSZACIVSA-N 1 0 270.380 2.739 50 0 CFAARO C[C@H](c1cccc(-c2cnc3nncn3c2)c1)[NH+]1CCCC1 ZINC000426615461 383406322 /nfs/dbraw/zinc/40/63/22/383406322.db2.gz KYENASRIOLBQEJ-CYBMUJFWSA-N 1 0 293.374 2.948 50 0 CFAARO Cc1ccccc1CNC(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000426738984 383410925 /nfs/dbraw/zinc/41/09/25/383410925.db2.gz DPTIYPYRTYDXKR-OAHLLOKOSA-N 1 0 274.408 2.876 50 0 CFAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000252481390 383411732 /nfs/dbraw/zinc/41/17/32/383411732.db2.gz CKJNBFHVKVYIDL-HKUYNNGSSA-N 1 0 297.398 2.903 50 0 CFAARO Cc1ccc(Cn2c[n+](Cc3ccccc3C)cn2)cc1 ZINC000252487470 383412582 /nfs/dbraw/zinc/41/25/82/383412582.db2.gz HWNVXFWJTGXQHX-UHFFFAOYSA-N 1 0 278.379 2.884 50 0 CFAARO Clc1cnccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250186249 383372846 /nfs/dbraw/zinc/37/28/46/383372846.db2.gz STLKZQAMSGBZTP-MNOVXSKESA-N 1 0 251.761 2.774 50 0 CFAARO CO[C@H](C[NH2+][C@H]1CCO[C@H]1C)c1ccccc1Cl ZINC000253370132 383452135 /nfs/dbraw/zinc/45/21/35/383452135.db2.gz MLDQLGJZSPEJME-LEWSCRJBSA-N 1 0 269.772 2.795 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCn1ccnc1-c1ccccn1 ZINC000253416114 383455957 /nfs/dbraw/zinc/45/59/57/383455957.db2.gz PGPOOVHVQPVLOX-AWEZNQCLSA-N 1 0 270.380 2.820 50 0 CFAARO Cc1noc(C)c1CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000253416038 383456032 /nfs/dbraw/zinc/45/60/32/383456032.db2.gz OQEPJQZUIAJTNH-ARFHVFGLSA-N 1 0 290.407 2.771 50 0 CFAARO CC[NH+]1C[C@@H](C)N(Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000253427220 383458814 /nfs/dbraw/zinc/45/88/14/383458814.db2.gz DOWHGKVTUDNDCO-ZIAGYGMSSA-N 1 0 289.423 2.560 50 0 CFAARO C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000253432415 383459793 /nfs/dbraw/zinc/45/97/93/383459793.db2.gz YYMZOAOKBYQABS-MPTQWLOMSA-N 1 0 272.392 2.549 50 0 CFAARO Cc1c[nH]c(C[N@@H+](C)C2CCSCC2)c(C)c1=O ZINC000253536632 383462370 /nfs/dbraw/zinc/46/23/70/383462370.db2.gz IXWFFDKCPWCRSW-UHFFFAOYSA-N 1 0 266.410 2.731 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC000252537780 383417688 /nfs/dbraw/zinc/41/76/88/383417688.db2.gz MHWLXAGRVWUKOX-KBPBESRZSA-N 1 0 255.402 2.944 50 0 CFAARO Cc1ccsc1C[N@@H+]1CCCCCCNC(=O)CC1 ZINC000257177518 383489901 /nfs/dbraw/zinc/48/99/01/383489901.db2.gz DXUPUTOHHXVCIY-UHFFFAOYSA-N 1 0 280.437 2.939 50 0 CFAARO CCCOc1cc(C)ccc1NC(=O)CCC1C[NH2+]C1 ZINC000636440584 383817817 /nfs/dbraw/zinc/81/78/17/383817817.db2.gz RRRLSQPFRBAUJE-UHFFFAOYSA-N 1 0 276.380 2.722 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(\C)c2cccc(F)c2)C1 ZINC000269103102 384725079 /nfs/dbraw/zinc/72/50/79/384725079.db2.gz GWBVGUHBJRVLIB-KADHNRKRSA-N 1 0 290.382 2.687 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280348900 384983572 /nfs/dbraw/zinc/98/35/72/384983572.db2.gz IEGMFNHXAZMZLV-FMKPAKJESA-N 1 0 261.365 2.627 50 0 CFAARO CCCn1nnnc1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000119472736 412995604 /nfs/dbraw/zinc/99/56/04/412995604.db2.gz PHNMJOXJYDAQFK-STQMWFEESA-N 1 0 279.432 2.778 50 0 CFAARO COc1cccc(C[N@@H+]2CC[C@@H](CSC)C2)c1 ZINC000096417917 256789736 /nfs/dbraw/zinc/78/97/36/256789736.db2.gz JKSNOEZEKAQGID-CYBMUJFWSA-N 1 0 251.395 2.880 50 0 CFAARO COc1ccccc1C[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000000757876 169678265 /nfs/dbraw/zinc/67/82/65/169678265.db2.gz CRPCKFZUPSWQSR-GRTSSRMGSA-N 1 0 263.381 2.519 50 0 CFAARO C[C@H](CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000093984226 184747743 /nfs/dbraw/zinc/74/77/43/184747743.db2.gz LOWZDVJSAOBSGV-UPJWGTAASA-N 1 0 295.452 2.634 50 0 CFAARO O[C@H](C[NH2+]Cc1ccccc1C(F)(F)F)C(F)(F)F ZINC000000170283 285355324 /nfs/dbraw/zinc/35/53/24/285355324.db2.gz CBPHMWQVYCPSIP-SECBINFHSA-N 1 0 287.203 2.718 50 0 CFAARO CC1CC[NH+](C[C@@H](O)Cn2ccc3ccccc32)CC1 ZINC000000938179 169683109 /nfs/dbraw/zinc/68/31/09/169683109.db2.gz SRLRZQHWBSQUKZ-MRXNPFEDSA-N 1 0 272.392 2.734 50 0 CFAARO CC[N@H+](C)C(C)(C)CNc1ncnc2nc(C)cc(C)c21 ZINC000095358584 184952102 /nfs/dbraw/zinc/95/21/02/184952102.db2.gz YSLGXVRNFWZOOS-UHFFFAOYSA-N 1 0 287.411 2.784 50 0 CFAARO O=C(CCC[NH+]1CCCCC1)NCC1=CCCCC1 ZINC000095382343 184960795 /nfs/dbraw/zinc/96/07/95/184960795.db2.gz BPEYCEKEZDAPGA-UHFFFAOYSA-N 1 0 264.413 2.869 50 0 CFAARO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000095419377 184975192 /nfs/dbraw/zinc/97/51/92/184975192.db2.gz PJHZEFPWOSJAHC-NWDGAFQWSA-N 1 0 290.329 2.827 50 0 CFAARO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[NH2+]C2 ZINC000067473422 285380592 /nfs/dbraw/zinc/38/05/92/285380592.db2.gz MOCFUYQRMMCOED-UHFFFAOYSA-N 1 0 276.723 2.590 50 0 CFAARO CC[C@@H]([NH2+]CC1(C)CCC1)c1cccc(S(N)(=O)=O)c1 ZINC000283683550 195900037 /nfs/dbraw/zinc/90/00/37/195900037.db2.gz GDTDVOULAUSEPZ-CQSZACIVSA-N 1 0 296.436 2.565 50 0 CFAARO C/C=C/C=C\C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000096871195 533445678 /nfs/dbraw/zinc/44/56/78/533445678.db2.gz YRYKMZDNDTXUEX-WZWXSLMZSA-N 1 0 299.418 2.899 50 0 CFAARO c1cc2c(o1)CCC[C@@H]2[NH2+]C1CCN(c2ncccn2)CC1 ZINC000178493384 285455389 /nfs/dbraw/zinc/45/53/89/285455389.db2.gz YNZXNGVTIXDFRL-HNNXBMFYSA-N 1 0 298.390 2.706 50 0 CFAARO c1ccc2c(c1)CCC[C@]21C[C@@H]1C[NH2+]Cc1cncnc1 ZINC000151404980 285502664 /nfs/dbraw/zinc/50/26/64/285502664.db2.gz KALNASUXUJYUKF-SJLPKXTDSA-N 1 0 279.387 2.860 50 0 CFAARO Cc1cnc(C)c(N2CCC([C@H](C)[NH+]3CCCC3)CC2)n1 ZINC000077353912 292886026 /nfs/dbraw/zinc/88/60/26/292886026.db2.gz GRJXMPIPDRIYAY-HNNXBMFYSA-N 1 0 288.439 2.794 50 0 CFAARO Cc1cnc(C)c(N2CCC([C@@H](C)[NH+]3CCCC3)CC2)n1 ZINC000077353911 292886042 /nfs/dbraw/zinc/88/60/42/292886042.db2.gz GRJXMPIPDRIYAY-OAHLLOKOSA-N 1 0 288.439 2.794 50 0 CFAARO c1ccc2nc(-c3cccc4c3CC[NH2+]C4)cnc2c1 ZINC000071764747 285528453 /nfs/dbraw/zinc/52/84/53/285528453.db2.gz JHHMCSVRYXCQKN-UHFFFAOYSA-N 1 0 261.328 2.943 50 0 CFAARO [NH3+]C1(C(=O)NC2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000015414291 393481093 /nfs/dbraw/zinc/48/10/93/393481093.db2.gz ZGTULQNOBLRVME-UHFFFAOYSA-N 1 0 276.424 2.589 50 0 CFAARO c1ccc2c(c1)cccc2OCCCN1CC[NH2+]CC1 ZINC000019728676 393483601 /nfs/dbraw/zinc/48/36/01/393483601.db2.gz PWYIZLMBVBXHLC-UHFFFAOYSA-N 1 0 270.376 2.514 50 0 CFAARO [NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000022875214 393490549 /nfs/dbraw/zinc/49/05/49/393490549.db2.gz FNLFYBHUAIQAHA-GFCCVEGCSA-N 1 0 258.287 2.801 50 0 CFAARO Cc1ccnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000032593138 393514408 /nfs/dbraw/zinc/51/44/08/393514408.db2.gz AAAMTSWYSMQRJO-MRXNPFEDSA-N 1 0 282.391 2.719 50 0 CFAARO CCC[C@H]1COCC[N@@H+]1CCC(=O)NC1CCCCCC1 ZINC000065372821 393630970 /nfs/dbraw/zinc/63/09/70/393630970.db2.gz SOJYTCBQLLTLDW-INIZCTEOSA-N 1 0 296.455 2.716 50 0 CFAARO C[C@@H](COc1ccccc1)[NH2+]Cc1cn2ccccc2n1 ZINC000065530755 393631176 /nfs/dbraw/zinc/63/11/76/393631176.db2.gz FCOXJKZXWSGDIQ-AWEZNQCLSA-N 1 0 281.359 2.891 50 0 CFAARO Cc1nc(N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)nc2ccccc12 ZINC000067964926 393634379 /nfs/dbraw/zinc/63/43/79/393634379.db2.gz GPCSPGYZVIJLKZ-UONOGXRCSA-N 1 0 282.391 2.611 50 0 CFAARO CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000069417830 393637377 /nfs/dbraw/zinc/63/73/77/393637377.db2.gz PAYXOQCNESJZGV-UKRRQHHQSA-N 1 0 290.407 2.560 50 0 CFAARO CC[NH+](CC)CCCN(C)Cc1ccc(OC)cc1 ZINC000193456892 393652145 /nfs/dbraw/zinc/65/21/45/393652145.db2.gz TYNVMHOABSGPAT-UHFFFAOYSA-N 1 0 264.413 2.859 50 0 CFAARO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000073853491 393652787 /nfs/dbraw/zinc/65/27/87/393652787.db2.gz MLRZQFDJQSNDLK-JTQLQIEISA-N 1 0 272.270 2.704 50 0 CFAARO CC(C)=CC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082134635 393738931 /nfs/dbraw/zinc/73/89/31/393738931.db2.gz PSKJHGWTJISRRH-UHFFFAOYSA-N 1 0 285.391 2.851 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C ZINC000239782584 393797871 /nfs/dbraw/zinc/79/78/71/393797871.db2.gz CPLGFGVZGNQBRG-HPZZRFSDSA-N 1 0 284.403 2.785 50 0 CFAARO CNC(=O)CC1CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000093588223 393802876 /nfs/dbraw/zinc/80/28/76/393802876.db2.gz UNMMRYJPYIFPPN-IUODEOHRSA-N 1 0 290.407 2.751 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000095414976 393811455 /nfs/dbraw/zinc/81/14/55/393811455.db2.gz OPDKDOHXJPELCO-WBVHZDCISA-N 1 0 272.392 2.665 50 0 CFAARO CCc1nncn1CC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000095975528 393813934 /nfs/dbraw/zinc/81/39/34/393813934.db2.gz PJOREYIXDOIECR-UHFFFAOYSA-N 1 0 292.814 2.901 50 0 CFAARO CC(C)CO[C@@H]1C[C@H]([N@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009222 393814626 /nfs/dbraw/zinc/81/46/26/393814626.db2.gz QEYALEIOZVTYGS-LSDHHAIUSA-N 1 0 296.455 2.556 50 0 CFAARO c1cc(-c2nc([C@@H]3CCOC3)no2)ccc1C[NH+]1CCCC1 ZINC000096150579 393815942 /nfs/dbraw/zinc/81/59/42/393815942.db2.gz TVBXCYPIWGLYLX-OAHLLOKOSA-N 1 0 299.374 2.836 50 0 CFAARO Cc1ccc(Cl)c(C)c1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000096150895 393815962 /nfs/dbraw/zinc/81/59/62/393815962.db2.gz LVPJDAXQGLIOHF-NSHDSACASA-N 1 0 281.787 2.830 50 0 CFAARO CSCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000096407272 393821269 /nfs/dbraw/zinc/82/12/69/393821269.db2.gz UKTWENDUCWOZMQ-ZDUSSCGKSA-N 1 0 292.448 2.691 50 0 CFAARO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000096414984 393825885 /nfs/dbraw/zinc/82/58/85/393825885.db2.gz KYLMXVANZPRWHC-ZBFHGGJFSA-N 1 0 291.366 2.899 50 0 CFAARO Cc1nc(N2CCOCC2)ccc1N[C@H]1CCCSC1 ZINC000097084760 393840878 /nfs/dbraw/zinc/84/08/78/393840878.db2.gz GXOZOOABNSOBDQ-ZDUSSCGKSA-N 1 0 293.436 2.534 50 0 CFAARO c1cncc(CCCN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000252486894 393935543 /nfs/dbraw/zinc/93/55/43/393935543.db2.gz HQBLWPPCESYKES-UHFFFAOYSA-N 1 0 287.451 2.965 50 0 CFAARO C[C@H]1CC[N@H+](Cc2cnc(N(C)C)s2)CCS1 ZINC000276989895 394053779 /nfs/dbraw/zinc/05/37/79/394053779.db2.gz GQAASOJGCQVSCY-JTQLQIEISA-N 1 0 271.455 2.537 50 0 CFAARO CC[C@@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)C1CCC1 ZINC000449116704 394218029 /nfs/dbraw/zinc/21/80/29/394218029.db2.gz QPAFTJQJQYKDAV-MRXNPFEDSA-N 1 0 295.448 2.900 50 0 CFAARO CN(C(=O)/C=C\c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000493782303 394314916 /nfs/dbraw/zinc/31/49/16/394314916.db2.gz PVKLARPLRCNVLP-SREVYHEPSA-N 1 0 278.783 2.564 50 0 CFAARO [NH3+]CCOc1ccc(-c2ccc3c(c2)CCOC3)cc1 ZINC000530247874 394496717 /nfs/dbraw/zinc/49/67/17/394496717.db2.gz DBINZTYGSNDWDU-UHFFFAOYSA-N 1 0 269.344 2.764 50 0 CFAARO Fc1cccnc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000530366032 394509055 /nfs/dbraw/zinc/50/90/55/394509055.db2.gz VJWYNZFPNXIYQE-KCPJHIHWSA-N 1 0 276.355 2.658 50 0 CFAARO Cc1ccc(C[NH2+][C@@H](CCO)C2CCCCC2)nc1 ZINC000096486312 292106161 /nfs/dbraw/zinc/10/61/61/292106161.db2.gz AESUXGRMLICWKE-INIZCTEOSA-N 1 0 262.397 2.811 50 0 CFAARO C[NH+](C)C1(CNC(=O)CCCc2ccccc2)CCCC1 ZINC000046788258 397583053 /nfs/dbraw/zinc/58/30/53/397583053.db2.gz QCUCMHVZEIUDOA-UHFFFAOYSA-N 1 0 288.435 3.000 50 0 CFAARO CCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000000525729 397535370 /nfs/dbraw/zinc/53/53/70/397535370.db2.gz BZYJTNJQADRYCE-HOCLYGCPSA-N 1 0 272.392 2.929 50 0 CFAARO Cc1cc2c(cc1Cl)C(=O)CC1(CC[NH2+]CC1)O2 ZINC000011849204 397538194 /nfs/dbraw/zinc/53/81/94/397538194.db2.gz SGBUDKRTJXFGHF-UHFFFAOYSA-N 1 0 265.740 2.736 50 0 CFAARO C[C@@H](c1ccccc1Cl)[NH+]1CCC(CC(N)=O)CC1 ZINC000048025432 397588951 /nfs/dbraw/zinc/58/89/51/397588951.db2.gz KRUCDXDPXCUOSD-NSHDSACASA-N 1 0 280.799 2.988 50 0 CFAARO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000108323694 397598107 /nfs/dbraw/zinc/59/81/07/397598107.db2.gz XDMCTKREUFRIEM-DOTOQJQBSA-N 1 0 290.451 2.505 50 0 CFAARO C[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)[S@@](C)=O ZINC000108461557 397598124 /nfs/dbraw/zinc/59/81/24/397598124.db2.gz XYRBNYANTRFYAO-RUHJCQMXSA-N 1 0 269.385 2.560 50 0 CFAARO COc1nc(-c2ccc([C@@H](C)[NH+](C)C)cc2)ncc1F ZINC000215096942 397619087 /nfs/dbraw/zinc/61/90/87/397619087.db2.gz GSJGMBWLWNIBCO-SNVBAGLBSA-N 1 0 275.327 2.914 50 0 CFAARO CCc1ccc(C[NH+]2CCC(c3nccn3C)CC2)nc1 ZINC000215094651 397619301 /nfs/dbraw/zinc/61/93/01/397619301.db2.gz PXCJMJCGBNCXAU-UHFFFAOYSA-N 1 0 284.407 2.757 50 0 CFAARO OCc1cccc(-c2nc3c([nH]2)C[N@@H+](C2CCCC2)CC3)c1 ZINC000220287006 397621487 /nfs/dbraw/zinc/62/14/87/397621487.db2.gz NCALWQMRTMSWJF-UHFFFAOYSA-N 1 0 297.402 2.870 50 0 CFAARO Cc1ccc2ncccc2c1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000252485220 397628514 /nfs/dbraw/zinc/62/85/14/397628514.db2.gz GPEOWUTUJTVLNV-OAHLLOKOSA-N 1 0 285.391 2.533 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000007166527 292168348 /nfs/dbraw/zinc/16/83/48/292168348.db2.gz YQOVOYVJMBRRQX-HRCADAONSA-N 1 0 277.408 2.713 50 0 CFAARO OC(c1ccccc1)(c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000003632771 304820520 /nfs/dbraw/zinc/82/05/20/304820520.db2.gz OGCGXUGBDJGFFY-MRXNPFEDSA-N 1 0 253.345 2.675 50 0 in-vitro CFAARO COc1cccc(NC2CC[NH+](C[C@@H](O)C(C)C)CC2)c1 ZINC000374092388 157067978 /nfs/dbraw/zinc/06/79/78/157067978.db2.gz DIVKRTSKZAWUQI-QGZVFWFLSA-N 1 0 292.423 2.588 50 0 CFAARO C[C@@H]([NH3+])CC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261867803 286908446 /nfs/dbraw/zinc/90/84/46/286908446.db2.gz QIAISWIVAQWDLD-KDOFPFPSSA-N 1 0 286.419 2.620 50 0 CFAARO C[C@@H](OCC[NH+](C)C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003900108 287117117 /nfs/dbraw/zinc/11/71/17/287117117.db2.gz WAKDMVXEUWPADN-JISDDCRVSA-N 1 0 279.424 2.739 50 0 CFAARO O[C@@H](COCc1cccs1)C[NH+]1CCCCCC1 ZINC000003264576 169873472 /nfs/dbraw/zinc/87/34/72/169873472.db2.gz YGFIQIOMLFMCKG-CYBMUJFWSA-N 1 0 269.410 2.502 50 0 CFAARO C[C@H](C[NH+]1CCCCC1)OC(=O)/C=C/c1ccco1 ZINC000004723171 170005226 /nfs/dbraw/zinc/00/52/26/170005226.db2.gz GVNDKMWDRWOECD-SBDDDAINSA-N 1 0 263.337 2.710 50 0 CFAARO CC[NH+](CC)C[C@H](C)OC(=O)c1cccc(F)c1 ZINC000004742536 170009562 /nfs/dbraw/zinc/00/95/62/170009562.db2.gz SFFFHPJRJWZKMT-NSHDSACASA-N 1 0 253.317 2.713 50 0 CFAARO COc1ccc(OC[C@H](O)C[NH+](C(C)C)C(C)C)cc1 ZINC000004819469 170022527 /nfs/dbraw/zinc/02/25/27/170022527.db2.gz VIHMBMJNUWGNBD-CQSZACIVSA-N 1 0 281.396 2.554 50 0 CFAARO CC(C)(CO)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004841703 170028467 /nfs/dbraw/zinc/02/84/67/170028467.db2.gz QJPCVZHKXKZASD-UHFFFAOYSA-N 1 0 263.312 2.946 50 0 CFAARO CC(=O)CCc1ccc(OCC[NH2+]Cc2ccco2)cc1 ZINC000004842623 170028864 /nfs/dbraw/zinc/02/88/64/170028864.db2.gz UQKGXFXRKLWJEW-UHFFFAOYSA-N 1 0 287.359 2.970 50 0 CFAARO OCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000004942898 170043469 /nfs/dbraw/zinc/04/34/69/170043469.db2.gz QAVVTQGPSPWTKA-UHFFFAOYSA-N 1 0 296.164 2.791 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1OC ZINC000004949668 170044359 /nfs/dbraw/zinc/04/43/59/170044359.db2.gz IWVGVUFXHMKTRI-COXVUDFISA-N 1 0 291.391 2.660 50 0 CFAARO CCC[NH+]1CCC(NCc2ccccc2OC)CC1 ZINC000004989338 170049928 /nfs/dbraw/zinc/04/99/28/170049928.db2.gz JUUQYHAQEQGVQS-UHFFFAOYSA-N 1 0 262.397 2.659 50 0 CFAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1 ZINC000005050881 170061460 /nfs/dbraw/zinc/06/14/60/170061460.db2.gz QTLALZRQGOWUFL-HNNXBMFYSA-N 1 0 291.391 2.551 50 0 CFAARO Cc1ccc(-c2ccc(=O)n(CC[NH+]3CCCCC3)n2)cc1 ZINC000005396766 170094633 /nfs/dbraw/zinc/09/46/33/170094633.db2.gz YFKXZRADTHEMOK-UHFFFAOYSA-N 1 0 297.402 2.705 50 0 CFAARO C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCCCC1 ZINC000005674908 170126908 /nfs/dbraw/zinc/12/69/08/170126908.db2.gz NWHQDHLGPCUEJD-QGZVFWFLSA-N 1 0 277.408 2.829 50 0 CFAARO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH+]1CCCC1 ZINC000005720678 170132764 /nfs/dbraw/zinc/13/27/64/170132764.db2.gz LPNFMFMSFYVYKQ-NSHDSACASA-N 1 0 250.317 2.639 50 0 CFAARO COc1ccc(C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000006484658 170205303 /nfs/dbraw/zinc/20/53/03/170205303.db2.gz PKTLIDMRTCKHIM-AWEZNQCLSA-N 1 0 257.333 2.946 50 0 CFAARO CCCc1ccc(OCCC[NH+](C)C)c(OC)c1 ZINC000006701141 170229490 /nfs/dbraw/zinc/22/94/90/170229490.db2.gz VUULHBKYMDCXKQ-UHFFFAOYSA-N 1 0 251.370 2.978 50 0 CFAARO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000006703970 170230557 /nfs/dbraw/zinc/23/05/57/170230557.db2.gz SNCYBWOFZADRNM-UHFFFAOYSA-N 1 0 260.381 2.974 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000006742253 170238135 /nfs/dbraw/zinc/23/81/35/170238135.db2.gz JQQARALDCYEZJM-UHFFFAOYSA-N 1 0 279.359 2.822 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1C=CCC1 ZINC000006847246 170248651 /nfs/dbraw/zinc/24/86/51/170248651.db2.gz CYHCPUOYEVPMDI-CQSZACIVSA-N 1 0 272.392 2.721 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000007340219 170277870 /nfs/dbraw/zinc/27/78/70/170277870.db2.gz XXLVFMRQKYFOPJ-CQSZACIVSA-N 1 0 286.419 2.838 50 0 CFAARO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCC ZINC000008253901 170327527 /nfs/dbraw/zinc/32/75/27/170327527.db2.gz DPHQXJFQNMONLP-JTQLQIEISA-N 1 0 287.787 2.608 50 0 CFAARO CCCCOC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000008844773 170357408 /nfs/dbraw/zinc/35/74/08/170357408.db2.gz YSFRYRBWSCCMKY-CYBMUJFWSA-N 1 0 259.434 2.968 50 0 CFAARO COc1cc(C[NH2+]C(C)C)cc(Br)c1OC ZINC000010436108 170406795 /nfs/dbraw/zinc/40/67/95/170406795.db2.gz AUPMUDBWPXSLIA-UHFFFAOYSA-N 1 0 288.185 2.964 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000012382491 170482552 /nfs/dbraw/zinc/48/25/52/170482552.db2.gz UKUJRQLRFCGUQI-UHFFFAOYSA-N 1 0 252.402 2.556 50 0 CFAARO CC(C)(C)C[NH2+][C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012595831 170499951 /nfs/dbraw/zinc/49/99/51/170499951.db2.gz SBPBOSHTHVPFSR-AWEZNQCLSA-N 1 0 278.371 2.562 50 0 CFAARO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)s1 ZINC000012918467 170520156 /nfs/dbraw/zinc/52/01/56/170520156.db2.gz ZDBBOBPTCCEMQD-UHFFFAOYSA-N 1 0 266.410 2.659 50 0 CFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccoc1 ZINC000013013083 170528535 /nfs/dbraw/zinc/52/85/35/170528535.db2.gz LIOSGCOZYGMYRQ-UHFFFAOYSA-N 1 0 284.359 2.805 50 0 CFAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100513 170997211 /nfs/dbraw/zinc/99/72/11/170997211.db2.gz UICMXMJIQPFNHL-ZDUSSCGKSA-N 1 0 292.398 2.952 50 0 CFAARO CC(C)C(=O)NCC[NH2+]Cc1ccc2ccccc2c1 ZINC000020125098 171007744 /nfs/dbraw/zinc/00/77/44/171007744.db2.gz XESFDEXHHBFIKD-UHFFFAOYSA-N 1 0 270.376 2.702 50 0 CFAARO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc2ccccc2o1 ZINC000020141908 171028228 /nfs/dbraw/zinc/02/82/28/171028228.db2.gz KGVSMRJDDOVDOL-CQSZACIVSA-N 1 0 288.391 2.806 50 0 CFAARO O[C@H](CN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020218790 171081969 /nfs/dbraw/zinc/08/19/69/171081969.db2.gz OMKPBKIXBACXLH-LJQANCHMSA-N 1 0 296.414 2.538 50 0 CFAARO CC[C@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000020256017 171110266 /nfs/dbraw/zinc/11/02/66/171110266.db2.gz XSDSFBQKBOUZOH-INIZCTEOSA-N 1 0 284.407 2.603 50 0 CFAARO CCN1CC[NH+](CCSc2ccc(C)cc2)CC1 ZINC000020390108 171178918 /nfs/dbraw/zinc/17/89/18/171178918.db2.gz LUZICMKSJCWFHG-UHFFFAOYSA-N 1 0 264.438 2.725 50 0 CFAARO CC[NH+]1CCN(CCCOc2cccc(C)c2C)CC1 ZINC000020390190 171179207 /nfs/dbraw/zinc/17/92/07/171179207.db2.gz AWNLAHWDXSRCGO-UHFFFAOYSA-N 1 0 276.424 2.710 50 0 CFAARO Cc1nc(-c2ccccc2)[nH]c1C[N@@H+]1CCCOCC1 ZINC000020455755 171208431 /nfs/dbraw/zinc/20/84/31/171208431.db2.gz QKMFXBREWZSGIQ-UHFFFAOYSA-N 1 0 271.364 2.607 50 0 CFAARO COC[C@@H]1CCC[N@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020515104 171232113 /nfs/dbraw/zinc/23/21/13/171232113.db2.gz QTJRTZZZOZKBGA-HUUCEWRRSA-N 1 0 287.407 2.956 50 0 CFAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000020534123 171240811 /nfs/dbraw/zinc/24/08/11/171240811.db2.gz XEEAHHONRAKSOO-QGZVFWFLSA-N 1 0 298.434 2.549 50 0 CFAARO CCCCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000020581994 171257422 /nfs/dbraw/zinc/25/74/22/171257422.db2.gz QEZPUUNHJKUTEC-UHFFFAOYSA-N 1 0 252.402 2.654 50 0 CFAARO CC(=O)c1ccccc1OCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020653305 171269107 /nfs/dbraw/zinc/26/91/07/171269107.db2.gz YRNSWJKBRZCTGV-KBPBESRZSA-N 1 0 291.391 2.767 50 0 CFAARO CC[N@H+](CCOC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000020864020 171276980 /nfs/dbraw/zinc/27/69/80/171276980.db2.gz NPOCJONUKIHYMP-UHFFFAOYSA-N 1 0 259.353 2.545 50 0 CFAARO c1cc([C@@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)n[nH]1 ZINC000020992244 171283740 /nfs/dbraw/zinc/28/37/40/171283740.db2.gz BVJMONLBXWTBKK-GFCCVEGCSA-N 1 0 285.347 2.518 50 0 CFAARO c1ccc(C[NH+]2CCC(Nc3ncccn3)CC2)cc1 ZINC000021061162 171297190 /nfs/dbraw/zinc/29/71/90/171297190.db2.gz OATGOOHGVPUVME-UHFFFAOYSA-N 1 0 268.364 2.553 50 0 CFAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc1C ZINC000022078323 171352665 /nfs/dbraw/zinc/35/26/65/171352665.db2.gz WDDAKVWJJVGPSO-GOEBONIOSA-N 1 0 274.408 2.672 50 0 CFAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1c(F)cccc1F ZINC000022078397 171352686 /nfs/dbraw/zinc/35/26/86/171352686.db2.gz UNZAXWODHKWUBV-XHDPSFHLSA-N 1 0 266.335 2.633 50 0 CFAARO CN(C)CC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000022995819 171406227 /nfs/dbraw/zinc/40/62/27/171406227.db2.gz IXBOMJXMSAXPEA-UHFFFAOYSA-N 1 0 290.432 2.978 50 0 CFAARO O=C(Nc1ccncc1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023214864 171416109 /nfs/dbraw/zinc/41/61/09/171416109.db2.gz KQSKSIXQEYFGOH-NSHDSACASA-N 1 0 273.361 2.820 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccccc1 ZINC000025076117 171448892 /nfs/dbraw/zinc/44/88/92/171448892.db2.gz GAPUVRGWPSWGOP-HNNXBMFYSA-N 1 0 289.423 2.750 50 0 CFAARO C[C@@H]1CCCC[N@H+]1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000105707803 287262558 /nfs/dbraw/zinc/26/25/58/287262558.db2.gz DDAZDALYJHJOLG-RDBSUJKOSA-N 1 0 252.402 2.650 50 0 CFAARO Cc1cccc(NC(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000034928755 171895443 /nfs/dbraw/zinc/89/54/43/171895443.db2.gz LFKJNACLRSRKAH-UHFFFAOYSA-N 1 0 261.369 2.588 50 0 CFAARO CC(C)C(=O)N1CCC([NH2+]Cc2c(F)cccc2F)CC1 ZINC000035258725 172091083 /nfs/dbraw/zinc/09/10/83/172091083.db2.gz IJDAZBNOOKEKKH-UHFFFAOYSA-N 1 0 296.361 2.701 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1 ZINC000035287281 172105013 /nfs/dbraw/zinc/10/50/13/172105013.db2.gz ZSYVYGAYTVSBSA-UHFFFAOYSA-N 1 0 260.362 2.785 50 0 CFAARO COCc1ccccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000037505520 173240655 /nfs/dbraw/zinc/24/06/55/173240655.db2.gz VSJRLSHWICIFIK-UHFFFAOYSA-N 1 0 285.343 2.852 50 0 CFAARO Fc1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000038580884 174148733 /nfs/dbraw/zinc/14/87/33/174148733.db2.gz QNEGHFDEVKQVMR-QMMMGPOBSA-N 1 0 274.133 2.577 50 0 CFAARO CC1CC[NH+](C[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000039794770 174173014 /nfs/dbraw/zinc/17/30/14/174173014.db2.gz WWYICTGGCFWOCN-HNNXBMFYSA-N 1 0 271.408 2.770 50 0 CFAARO Cc1cc(OCCCC[NH2+]CCN)ccc1C(C)C ZINC000039960869 174179895 /nfs/dbraw/zinc/17/98/95/174179895.db2.gz JZDKCWYXQCVZDM-UHFFFAOYSA-N 1 0 264.413 2.826 50 0 CFAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000040009436 174182674 /nfs/dbraw/zinc/18/26/74/174182674.db2.gz DDAZDALYJHJOLG-MELADBBJSA-N 1 0 252.402 2.650 50 0 CFAARO CC(C)[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000040088704 174188651 /nfs/dbraw/zinc/18/86/51/174188651.db2.gz OOZKZLRKHXSIEV-UHFFFAOYSA-N 1 0 281.469 2.967 50 0 CFAARO Cc1cnc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cn1 ZINC000040090880 174189445 /nfs/dbraw/zinc/18/94/45/174189445.db2.gz KQQQFTCMLCNFMN-UHFFFAOYSA-N 1 0 296.374 2.633 50 0 CFAARO Cc1ccccc1NC(=O)NCC[NH+]1CCCCCC1 ZINC000040095262 174190153 /nfs/dbraw/zinc/19/01/53/174190153.db2.gz RYRSSURGBIEUTL-UHFFFAOYSA-N 1 0 275.396 2.993 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccc(F)cc1 ZINC000040107545 174192126 /nfs/dbraw/zinc/19/21/26/174192126.db2.gz LYJJHBBDTQTUJO-RNVIBTMRSA-N 1 0 290.382 2.830 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccc(F)cc1 ZINC000040267476 174218708 /nfs/dbraw/zinc/21/87/08/174218708.db2.gz BNICUKNNERIXLW-WBVHZDCISA-N 1 0 282.318 2.750 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cccs1 ZINC000040464838 174274505 /nfs/dbraw/zinc/27/45/05/174274505.db2.gz IKRQVVQDCRKMAS-UHFFFAOYSA-N 1 0 274.389 2.740 50 0 CFAARO CC[C@@H](C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040498962 174295911 /nfs/dbraw/zinc/29/59/11/174295911.db2.gz RMOGPGTUBUZGIC-PWSUYJOCSA-N 1 0 254.399 2.513 50 0 CFAARO CCN1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000040502910 174299071 /nfs/dbraw/zinc/29/90/71/174299071.db2.gz PSZVCHKUSYTWRQ-CYBMUJFWSA-N 1 0 290.436 2.712 50 0 CFAARO Cc1ccc(NC(=O)NCCC[NH+]2CCCC2)c(F)c1 ZINC000040526212 174314254 /nfs/dbraw/zinc/31/42/54/174314254.db2.gz WETWCAOEAOGWNH-UHFFFAOYSA-N 1 0 279.359 2.742 50 0 CFAARO CCCOc1c(C[NH2+]CCOC)cc(Cl)cc1OC ZINC000040722206 174385268 /nfs/dbraw/zinc/38/52/68/174385268.db2.gz DWMNPHKFMIFULY-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO CC(C)CC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944795 175387545 /nfs/dbraw/zinc/38/75/45/175387545.db2.gz OHDHHLHPDTYTOZ-UHFFFAOYSA-N 1 0 258.369 2.618 50 0 CFAARO COc1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000045945435 175388167 /nfs/dbraw/zinc/38/81/67/175388167.db2.gz NZVKDZYIVGLGGX-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO CC/C=C(\C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000046042313 175390834 /nfs/dbraw/zinc/39/08/34/175390834.db2.gz QSBWBJHXOXCWAE-MDWZMJQESA-N 1 0 260.381 2.721 50 0 CFAARO C[C@@H](C(N)=O)[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000046054966 175391143 /nfs/dbraw/zinc/39/11/43/175391143.db2.gz MRDZRNNDCOVKEW-GUYCJALGSA-N 1 0 280.371 2.508 50 0 CFAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCCCC1 ZINC000046089356 175392840 /nfs/dbraw/zinc/39/28/40/175392840.db2.gz KNDJSPZNMFAPGY-CQSZACIVSA-N 1 0 278.421 2.898 50 0 CFAARO C[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CCC1)[NH+](C)C ZINC000046272121 175395303 /nfs/dbraw/zinc/39/53/03/175395303.db2.gz VNQGEEYVJLCOLJ-LBPRGKRZSA-N 1 0 294.826 2.828 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccn1)c1ccsc1 ZINC000046346812 175396356 /nfs/dbraw/zinc/39/63/56/175396356.db2.gz SEYJXOHZHABJJY-LBPRGKRZSA-N 1 0 290.392 2.568 50 0 CFAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCC1)Cc1ccccc1 ZINC000047508407 175409080 /nfs/dbraw/zinc/40/90/80/175409080.db2.gz RWRJGEXJRIVAIF-QGZVFWFLSA-N 1 0 288.435 2.856 50 0 CFAARO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC000049079345 175462545 /nfs/dbraw/zinc/46/25/45/175462545.db2.gz LRBPFUVMTBMKKK-UHFFFAOYSA-N 1 0 289.423 2.584 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000054181229 175554975 /nfs/dbraw/zinc/55/49/75/175554975.db2.gz ZCKGTYZGFLOSME-GFCCVEGCSA-N 1 0 289.354 2.732 50 0 CFAARO CC(C)c1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)nn1 ZINC000067879817 175799347 /nfs/dbraw/zinc/79/93/47/175799347.db2.gz FCBSTVSIOIKSMD-GFCCVEGCSA-N 1 0 269.348 2.529 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000069560275 175838983 /nfs/dbraw/zinc/83/89/83/175838983.db2.gz KYIFALPDJYUQFC-AWEZNQCLSA-N 1 0 283.375 2.646 50 0 CFAARO C[NH+]1CCC(CC(=O)NCCC2=CCCCC2)CC1 ZINC000071376267 176141091 /nfs/dbraw/zinc/14/10/91/176141091.db2.gz OUDMNTWJURAYRJ-UHFFFAOYSA-N 1 0 264.413 2.725 50 0 CFAARO Cn1nccc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000071808723 176267853 /nfs/dbraw/zinc/26/78/53/176267853.db2.gz YPTOLZBXDPVYKK-INIZCTEOSA-N 1 0 269.392 2.842 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000071878659 176286902 /nfs/dbraw/zinc/28/69/02/176286902.db2.gz IESRYGRUBDHULQ-KRWDZBQOSA-N 1 0 284.407 2.602 50 0 CFAARO Cc1ccc(-c2cc(C[NH2+]CCn3cccn3)on2)cc1 ZINC000071879225 176287313 /nfs/dbraw/zinc/28/73/13/176287313.db2.gz CKPIELMZNXXIEJ-UHFFFAOYSA-N 1 0 282.347 2.636 50 0 CFAARO CC[C@@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000071919811 176299878 /nfs/dbraw/zinc/29/98/78/176299878.db2.gz SNVIQEZPEVIMIF-QLFBSQMISA-N 1 0 283.460 2.842 50 0 CFAARO COc1ccnc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)c1 ZINC000072137371 176323074 /nfs/dbraw/zinc/32/30/74/176323074.db2.gz IGDPKRJAYMRESA-QDIASNEPSA-N 1 0 272.392 2.958 50 0 CFAARO CC1(C)C[C@@H](C[NH+]2CC(c3ccncc3)C2)CCO1 ZINC000072143152 176323861 /nfs/dbraw/zinc/32/38/61/176323861.db2.gz QSMQDZZVWFHQPK-ZDUSSCGKSA-N 1 0 260.381 2.686 50 0 CFAARO C[NH+](C)[C@H]1CCCN(C(=O)CCc2cccs2)CC1 ZINC000072165973 176331251 /nfs/dbraw/zinc/33/12/51/176331251.db2.gz KGXYYEWTLPYPDS-ZDUSSCGKSA-N 1 0 280.437 2.623 50 0 CFAARO Cc1ccccc1CC[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000072174146 176333549 /nfs/dbraw/zinc/33/35/49/176333549.db2.gz YNKDPVZXAKANAB-QGZVFWFLSA-N 1 0 291.435 2.649 50 0 CFAARO Cc1ccc(NCC[NH2+]Cc2cccc(Cl)c2)nn1 ZINC000072231648 176344202 /nfs/dbraw/zinc/34/42/02/176344202.db2.gz MTNRKBJIQMPHKH-UHFFFAOYSA-N 1 0 276.771 2.640 50 0 CFAARO Cc1ccccc1OC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072410765 176398339 /nfs/dbraw/zinc/39/83/39/176398339.db2.gz SGIVLGIXRYEJEE-OAHLLOKOSA-N 1 0 275.392 2.875 50 0 CFAARO Nc1ccnc(N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000072434889 176403415 /nfs/dbraw/zinc/40/34/15/176403415.db2.gz FJBMCAPAETYHKC-CQSZACIVSA-N 1 0 289.427 2.515 50 0 CFAARO O=C(OCc1ccccc1)N1CCC[C@]12CCC[NH2+]C2 ZINC000076914436 177132820 /nfs/dbraw/zinc/13/28/20/177132820.db2.gz FCORNWMUPZYZIJ-INIZCTEOSA-N 1 0 274.364 2.541 50 0 CFAARO Cc1cc(N2CC[C@@H](O)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077217427 177235801 /nfs/dbraw/zinc/23/58/01/177235801.db2.gz JAHHDQUPEISQHS-SNVBAGLBSA-N 1 0 294.301 2.716 50 0 CFAARO c1ncn(C[C@@H]([NH2+]Cc2ccccc2)c2ccccc2)n1 ZINC000077404748 177263135 /nfs/dbraw/zinc/26/31/35/177263135.db2.gz PAMRLZGODMJGKY-QGZVFWFLSA-N 1 0 278.359 2.809 50 0 CFAARO c1cc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)cs1 ZINC000077404733 177263209 /nfs/dbraw/zinc/26/32/09/177263209.db2.gz NOJCORVRCKGLCC-OAHLLOKOSA-N 1 0 284.388 2.871 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccccc3)C2)o1 ZINC000078553560 177353835 /nfs/dbraw/zinc/35/38/35/177353835.db2.gz OYPKBPJUKUZJLF-MRXNPFEDSA-N 1 0 298.386 2.982 50 0 CFAARO NC(=O)c1cccc(CC[NH2+]Cc2cccc(Cl)c2)c1 ZINC000078553654 177353939 /nfs/dbraw/zinc/35/39/39/177353939.db2.gz PJXGJUVHRZYWBX-UHFFFAOYSA-N 1 0 288.778 2.771 50 0 CFAARO OC1(C[NH+]2CCC(Cc3ccccc3)CC2)CCC1 ZINC000079096575 177432787 /nfs/dbraw/zinc/43/27/87/177432787.db2.gz UPRBARHIPOKHAK-UHFFFAOYSA-N 1 0 259.393 2.856 50 0 CFAARO CCOC(=O)N1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000000279794 259999707 /nfs/dbraw/zinc/99/97/07/259999707.db2.gz RIOABTFIOCQRDS-CHWSQXEVSA-N 1 0 268.401 2.585 50 0 CFAARO Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(C)n1 ZINC000024754462 260127776 /nfs/dbraw/zinc/12/77/76/260127776.db2.gz HIYFAUVECWDSLA-UHFFFAOYSA-N 1 0 262.401 2.815 50 0 CFAARO CC(C)n1ccc(C(=O)Nc2ccccc2C[NH+](C)C)n1 ZINC000408512926 261068481 /nfs/dbraw/zinc/06/84/81/261068481.db2.gz DQISALVGFHFTOW-UHFFFAOYSA-N 1 0 286.379 2.778 50 0 CFAARO CON1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000323390592 261631374 /nfs/dbraw/zinc/63/13/74/261631374.db2.gz RNABQVOIMMKZTB-UHFFFAOYSA-N 1 0 260.790 2.517 50 0 CFAARO CCC[C@@H](CNc1nccc(C(C)C)n1)[NH+](C)C ZINC000095372701 273616930 /nfs/dbraw/zinc/61/69/30/273616930.db2.gz XBEDDEWUMZRZPZ-LBPRGKRZSA-N 1 0 250.390 2.742 50 0 CFAARO CS[C@H]1CCC[C@H]1[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000076146645 274184622 /nfs/dbraw/zinc/18/46/22/274184622.db2.gz XKCGMGUBELMIQY-NEPJUHHUSA-N 1 0 297.424 2.528 50 0 CFAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000252012397 274205510 /nfs/dbraw/zinc/20/55/10/274205510.db2.gz SWXQSJBSIVRICS-GUYCJALGSA-N 1 0 286.419 2.911 50 0 CFAARO Cc1ccc([C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000058309898 274757189 /nfs/dbraw/zinc/75/71/89/274757189.db2.gz PYXHYHCLQAZLER-RDTXWAMCSA-N 1 0 296.418 2.974 50 0 CFAARO Clc1ccc(Br)c(N2CC[NH2+]CC2)c1 ZINC000084666656 274880759 /nfs/dbraw/zinc/88/07/59/274880759.db2.gz RVEYCMIYANBBER-UHFFFAOYSA-N 1 0 275.577 2.512 50 0 CFAARO CC(C)c1cc(N[C@@H]2COC3(CCCC3)C2)nc(N)[nH+]1 ZINC000095365458 275731375 /nfs/dbraw/zinc/73/13/75/275731375.db2.gz FCXBEPWTYFCSMD-NSHDSACASA-N 1 0 276.384 2.696 50 0 CFAARO CC(C)(C)[NH2+]C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005439522 275821019 /nfs/dbraw/zinc/82/10/19/275821019.db2.gz SCKCXSZBBBPOIJ-KUNBBXKYSA-N 1 0 295.467 2.968 50 0 CFAARO CCCOc1ccc2c(c1)c1c3n2CCN(C)C3=[NH+]CC1 ZINC000016606223 276019705 /nfs/dbraw/zinc/01/97/05/276019705.db2.gz SKUWFSYALUMHKB-UHFFFAOYSA-N 1 0 283.375 2.678 50 0 CFAARO CCC[n+]1c(C)sc2c1c(OC)ccc2OC ZINC000000343707 276054238 /nfs/dbraw/zinc/05/42/38/276054238.db2.gz STTGGIQUYSICRH-UHFFFAOYSA-N 1 0 252.359 2.924 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C ZINC000264615887 276185915 /nfs/dbraw/zinc/18/59/15/276185915.db2.gz GVXILKKSRRXXBQ-AWEZNQCLSA-N 1 0 275.396 2.909 50 0 CFAARO CCS[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156132380 276399328 /nfs/dbraw/zinc/39/93/28/276399328.db2.gz KEQRRASUIVHBCO-ZIAGYGMSSA-N 1 0 285.453 2.936 50 0 CFAARO CC(C)(C)OC(=O)N1CCC2(CCCC[NH2+]2)CC1 ZINC000033414799 277182022 /nfs/dbraw/zinc/18/20/22/277182022.db2.gz FYXOOJBRPNJJRP-UHFFFAOYSA-N 1 0 254.374 2.530 50 0 CFAARO CC(C)(C)OC(=O)N1CCCCC12CC[NH2+]CC2 ZINC000052507717 277182693 /nfs/dbraw/zinc/18/26/93/277182693.db2.gz HIKNQHIQQLZTQF-UHFFFAOYSA-N 1 0 254.374 2.530 50 0 CFAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000054959985 277189169 /nfs/dbraw/zinc/18/91/69/277189169.db2.gz DVOURBIBCQYVCC-ZDUSSCGKSA-N 1 0 262.353 2.568 50 0 CFAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nncn2CC1 ZINC000011870994 277324069 /nfs/dbraw/zinc/32/40/69/277324069.db2.gz KLIMHZJCOYNFPG-AWEZNQCLSA-N 1 0 262.401 2.519 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000095973394 277962117 /nfs/dbraw/zinc/96/21/17/277962117.db2.gz VNJAGSNRPJBAFT-HOTGVXAUSA-N 1 0 275.392 2.711 50 0 CFAARO CC(C)c1cncnc1N1CCC2(CC[NH2+]CC2)CC1 ZINC000071760820 278066789 /nfs/dbraw/zinc/06/67/89/278066789.db2.gz PQVJMVGKABGEKM-UHFFFAOYSA-N 1 0 274.412 2.570 50 0 CFAARO CSCCC[NH+]1CCC(c2ncncc2C)CC1 ZINC000097636554 278128509 /nfs/dbraw/zinc/12/85/09/278128509.db2.gz NPLKFZIHPJBCRM-UHFFFAOYSA-N 1 0 265.426 2.718 50 0 CFAARO C[C@@H](C1CCN(c2ccncc2F)CC1)[NH+]1CCCC1 ZINC000095523727 278220157 /nfs/dbraw/zinc/22/01/57/278220157.db2.gz CNHHYBULFVDCSX-ZDUSSCGKSA-N 1 0 277.387 2.921 50 0 CFAARO CC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000004192320 278248836 /nfs/dbraw/zinc/24/88/36/278248836.db2.gz AXQKWRMPCYVYQL-CJNGLKHVSA-N 1 0 291.391 2.503 50 0 CFAARO CC(C)(C)OC(=O)N1CCC2(C1)CCC([NH3+])CC2 ZINC000095084612 278383165 /nfs/dbraw/zinc/38/31/65/278383165.db2.gz XBDRCLQJGBXXHV-UHFFFAOYSA-N 1 0 254.374 2.515 50 0 CFAARO C[C@@H](O)C[NH+](Cc1cccc(Cl)c1Cl)C[C@@H](C)O ZINC000000757487 278394737 /nfs/dbraw/zinc/39/47/37/278394737.db2.gz PFJLXTCPXDZCLR-NXEZZACHSA-N 1 0 292.206 2.557 50 0 CFAARO C[C@@H]1CCCN(C(=O)C2CCCCCC2)[C@H]1C[NH3+] ZINC000070176716 278473581 /nfs/dbraw/zinc/47/35/81/278473581.db2.gz CPJWOUBAKSRLCF-OCCSQVGLSA-N 1 0 252.402 2.543 50 0 CFAARO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1F ZINC000163467273 288087806 /nfs/dbraw/zinc/08/78/06/288087806.db2.gz QUQPCIDJUYVCIT-KBPBESRZSA-N 1 0 264.344 2.535 50 0 CFAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000230229544 279241790 /nfs/dbraw/zinc/24/17/90/279241790.db2.gz ZJXQGAXXZOVGMP-VNQPRFMTSA-N 1 0 278.440 2.898 50 0 CFAARO C[C@H](CO)[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000089697579 279361046 /nfs/dbraw/zinc/36/10/46/279361046.db2.gz XQTOXBOAMWVUJO-HQJQHLMTSA-N 1 0 288.160 2.546 50 0 CFAARO C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000002867344 279393229 /nfs/dbraw/zinc/39/32/29/279393229.db2.gz CITBTXVQVHJQMK-JTQLQIEISA-N 1 0 252.317 2.544 50 0 CFAARO C[C@H]1CC(CC[NH+]2CCC(NC(N)=O)CC2)C[C@H](C)C1 ZINC000089131695 279636107 /nfs/dbraw/zinc/63/61/07/279636107.db2.gz YXVVSALASUBEAM-CHWSQXEVSA-N 1 0 281.444 2.582 50 0 CFAARO CC[C@@H]([NH3+])C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000097019104 280164023 /nfs/dbraw/zinc/16/40/23/280164023.db2.gz GFIWZFYYLRNCKP-CQSZACIVSA-N 1 0 260.381 2.827 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000237757133 280263150 /nfs/dbraw/zinc/26/31/50/280263150.db2.gz TWFNBWWEYUEEJY-NSHDSACASA-N 1 0 292.766 2.958 50 0 CFAARO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1Cl ZINC000135221393 280323942 /nfs/dbraw/zinc/32/39/42/280323942.db2.gz PRNCSMPDMJCPTE-LBPRGKRZSA-N 1 0 266.772 2.602 50 0 CFAARO c1csc([C@@H]2[NH2+]CCc3nc4ccccc4n32)c1 ZINC000019772817 280506107 /nfs/dbraw/zinc/50/61/07/280506107.db2.gz AVRUDJDRFKBSQO-CQSZACIVSA-N 1 0 255.346 2.790 50 0 CFAARO COc1ccccc1/C=C\CN1CC[NH+](CC(C)C)CC1 ZINC000254971575 281082867 /nfs/dbraw/zinc/08/28/67/281082867.db2.gz KUTPVRHOYBSJTO-VURMDHGXSA-N 1 0 288.435 2.982 50 0 CFAARO CCn1nncc1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000459387385 281260740 /nfs/dbraw/zinc/26/07/40/281260740.db2.gz CWQVLVIQCLXKBZ-JTQLQIEISA-N 1 0 264.398 2.827 50 0 CFAARO CC1(C)C[C@H]([NH2+]C2CCN(C3CC3)CC2)C(C)(C)O1 ZINC000089917914 281356374 /nfs/dbraw/zinc/35/63/74/281356374.db2.gz JQYWDEXWQBIDCC-AWEZNQCLSA-N 1 0 266.429 2.549 50 0 CFAARO C[NH+](C)CC[C@@H](c1ccccc1)n1ccnc1-c1c[nH]cn1 ZINC000077504996 289180146 /nfs/dbraw/zinc/18/01/46/289180146.db2.gz LDPPVVQAMBHNED-INIZCTEOSA-N 1 0 295.390 2.814 50 0 CFAARO Fc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)c(F)c1 ZINC000022125654 294746003 /nfs/dbraw/zinc/74/60/03/294746003.db2.gz FLARRGJTZCPWEX-QGZVFWFLSA-N 1 0 288.341 2.959 50 0 CFAARO Fc1ccccc1[C@H]1[NH2+]CCc2cc3c(cc21)OCCO3 ZINC000019626172 294771679 /nfs/dbraw/zinc/77/16/79/294771679.db2.gz FEURQXBOKPILAB-QGZVFWFLSA-N 1 0 285.318 2.832 50 0 CFAARO [NH3+][C@@H](CCO)c1ccc(OCc2ccccc2)cc1 ZINC000004089656 295294454 /nfs/dbraw/zinc/29/44/54/295294454.db2.gz LTGQQRZGPYYPNY-INIZCTEOSA-N 1 0 257.333 2.648 50 0 CFAARO Nc1ccccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000238856653 295364744 /nfs/dbraw/zinc/36/47/44/295364744.db2.gz WSTXBEUFNZYMMG-LNSITVRQSA-N 1 0 273.380 2.518 50 0 CFAARO O=C(NC1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065515227 295616117 /nfs/dbraw/zinc/61/61/17/295616117.db2.gz AAMLNKQPYZUOAB-HNNXBMFYSA-N 1 0 279.428 2.589 50 0 CFAARO C[C@H](C(=O)N1CCC[C@H]1c1ccc[nH]1)[NH+]1CCCCCC1 ZINC000098014310 298041626 /nfs/dbraw/zinc/04/16/26/298041626.db2.gz WLDDUYHALVCARR-ZBFHGGJFSA-N 1 0 289.423 2.943 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@]2(C)CC[NH2+]C2)C1 ZINC000299739187 302167864 /nfs/dbraw/zinc/16/78/64/302167864.db2.gz LQPZLHPDCCCFFA-HDMKZQKVSA-N 1 0 286.419 2.699 50 0 CFAARO Cc1nc2ccccc2nc1N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000070178614 302668297 /nfs/dbraw/zinc/66/82/97/302668297.db2.gz YYVWQRVXWOEFGD-ABAIWWIYSA-N 1 0 270.380 2.502 50 0 CFAARO C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1=CCCCC1 ZINC000827989697 782064858 /nfs/dbraw/zinc/06/48/58/782064858.db2.gz WEMMZXDUPIUJHQ-CQSZACIVSA-N 1 0 264.413 2.868 50 0 CFAARO CC1(C)CC(CC(=O)NC2CCC2)CC(C)(C)[NH2+]1 ZINC000828007220 782064393 /nfs/dbraw/zinc/06/43/93/782064393.db2.gz INBUNHHFFIWEKV-UHFFFAOYSA-N 1 0 252.402 2.602 50 0 CFAARO CC[NH+](CC)CC1(NC(=O)c2cc(C)c(O)c(C)c2)CC1 ZINC000534644142 328330065 /nfs/dbraw/zinc/33/00/65/328330065.db2.gz BWIWUZAFVAYMFC-UHFFFAOYSA-N 1 0 290.407 2.613 50 0 CFAARO C[C@@H](CC[NH+](C)C)NCc1nn(C)c2cccc(Cl)c12 ZINC000534632416 328331912 /nfs/dbraw/zinc/33/19/12/328331912.db2.gz JZSSKNBEHFXQHO-NSHDSACASA-N 1 0 294.830 2.657 50 0 CFAARO COc1ccc(-c2cc(C[NH2+][C@@H]3CCCOC3)no2)cc1 ZINC000534650012 328336490 /nfs/dbraw/zinc/33/64/90/328336490.db2.gz ZZNNJIDPCONXDQ-CYBMUJFWSA-N 1 0 288.347 2.619 50 0 CFAARO CCOc1ccnc(NC[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000534655194 328339357 /nfs/dbraw/zinc/33/93/57/328339357.db2.gz FBKCSNDFRPJORK-ZDUSSCGKSA-N 1 0 290.411 2.552 50 0 CFAARO CCCC[C@H](NC(=O)C[NH+]1CCCC1)c1cccnc1 ZINC000534665372 328344682 /nfs/dbraw/zinc/34/46/82/328344682.db2.gz OJOABRDDUJPBOQ-HNNXBMFYSA-N 1 0 275.396 2.525 50 0 CFAARO CCOC(C)(C)C(=O)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000534669042 328346478 /nfs/dbraw/zinc/34/64/78/328346478.db2.gz SKGOZTULYLKGPI-CQSZACIVSA-N 1 0 296.455 2.572 50 0 CFAARO O=C1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CCN1 ZINC000534669364 328346600 /nfs/dbraw/zinc/34/66/00/328346600.db2.gz FCIHZTUFFFVWCK-CYBMUJFWSA-N 1 0 278.783 2.587 50 0 CFAARO CCC[C@H](CNc1ccc2cccc(OC)c2n1)[NH+](C)C ZINC000534676928 328352004 /nfs/dbraw/zinc/35/20/04/328352004.db2.gz SFOFKKBTKZHZHJ-CQSZACIVSA-N 1 0 287.407 2.808 50 0 CFAARO CCc1noc(C)c1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000125477261 323623182 /nfs/dbraw/zinc/62/31/82/323623182.db2.gz YIRFHBBIRRNRLO-SNVBAGLBSA-N 1 0 279.384 2.510 50 0 CFAARO C[C@H]1CCC[C@@H](C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000195542773 324108242 /nfs/dbraw/zinc/10/82/42/324108242.db2.gz SHXLOQGNHKKRKD-GOEBONIOSA-N 1 0 289.423 2.504 50 0 CFAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000195573493 324109313 /nfs/dbraw/zinc/10/93/13/324109313.db2.gz QUTHFQTYLLSWOJ-KRWDZBQOSA-N 1 0 298.390 2.506 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000195568528 324109760 /nfs/dbraw/zinc/10/97/60/324109760.db2.gz SJUGKKUPKSZGGH-KKUMJFAQSA-N 1 0 264.413 2.579 50 0 CFAARO C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000060131683 327018529 /nfs/dbraw/zinc/01/85/29/327018529.db2.gz IKGREBAJZFBXNC-CYBMUJFWSA-N 1 0 277.364 2.916 50 0 CFAARO CCC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000069321921 519851994 /nfs/dbraw/zinc/85/19/94/519851994.db2.gz WHLPZHWHHQMTCS-CYBMUJFWSA-N 1 0 262.401 2.594 50 0 CFAARO Cc1cc(Cl)ccc1C[NH2+]CCn1cnnc1C1CC1 ZINC000129762769 500958902 /nfs/dbraw/zinc/95/89/02/500958902.db2.gz WOKOZVBHLIIVER-UHFFFAOYSA-N 1 0 290.798 2.907 50 0 CFAARO C[C@@H](c1cccc(-c2cnn(CCO)c2)c1)[NH+]1CCCC1 ZINC000426667458 534074662 /nfs/dbraw/zinc/07/46/62/534074662.db2.gz LBXXGRHIGCQZKC-AWEZNQCLSA-N 1 0 285.391 2.699 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000096478090 534155964 /nfs/dbraw/zinc/15/59/64/534155964.db2.gz BJTPNQCWZRTZIG-MRVWCRGKSA-N 1 0 253.411 2.820 50 0 CFAARO CC(C)Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000338625660 519438823 /nfs/dbraw/zinc/43/88/23/519438823.db2.gz JHUWDHNJNAPYEH-INIZCTEOSA-N 1 0 265.372 2.791 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCCC[NH2+]1 ZINC000156887641 523255974 /nfs/dbraw/zinc/25/59/74/523255974.db2.gz XCNQLMUMZSZSIO-CYBMUJFWSA-N 1 0 284.762 2.580 50 0 CFAARO CC[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1 ZINC000340681114 523264603 /nfs/dbraw/zinc/26/46/03/523264603.db2.gz PJTZRRUWHOKYLJ-OAHLLOKOSA-N 1 0 260.381 2.519 50 0 CFAARO CCc1ccc2[nH]c(=O)c(C[NH2+]Cc3cccnc3)cc2c1 ZINC000004993346 524058503 /nfs/dbraw/zinc/05/85/03/524058503.db2.gz FYYAGFXAHPEHIR-UHFFFAOYSA-N 1 0 293.370 2.775 50 0 CFAARO Cc1ccc(CCCC(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000156933195 524308125 /nfs/dbraw/zinc/30/81/25/524308125.db2.gz KYBBOXHVVVABCF-DOMZBBRYSA-N 1 0 294.464 2.965 50 0 CFAARO COc1ccccc1/C=C/C[N@@H+]1CCCC[C@H]1CO ZINC000016663075 524315487 /nfs/dbraw/zinc/31/54/87/524315487.db2.gz PWTNKKDAYSEBFQ-VFADXPBXSA-N 1 0 261.365 2.555 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1CO)c1cccc(CO)c1 ZINC000241316963 525551532 /nfs/dbraw/zinc/55/15/32/525551532.db2.gz LWLQNHNSMRXRQH-RRQGHBQHSA-N 1 0 277.408 2.771 50 0 CFAARO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)oc2c1c(C)ccc2C ZINC000178588799 525592191 /nfs/dbraw/zinc/59/21/91/525592191.db2.gz SHLMNLGHALDCHM-CYBMUJFWSA-N 1 0 286.375 2.779 50 0 CFAARO Oc1cccc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000055543168 526357661 /nfs/dbraw/zinc/35/76/61/526357661.db2.gz HZMCPYNCRFAQGY-UHFFFAOYSA-N 1 0 268.360 2.714 50 0 CFAARO Fc1ccccc1CSc1nnc([C@H]2CCC[NH2+]2)o1 ZINC000001249891 526412427 /nfs/dbraw/zinc/41/24/27/526412427.db2.gz LOFWHLUNKRFUDM-LLVKDONJSA-N 1 0 279.340 2.926 50 0 CFAARO c1ccc(C[N@@H+]2CC[C@H](Nc3ccccn3)C2)cc1 ZINC000067948701 526470105 /nfs/dbraw/zinc/47/01/05/526470105.db2.gz LGCIACACYCTERW-HNNXBMFYSA-N 1 0 253.349 2.768 50 0 CFAARO OCCCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000051019796 527534305 /nfs/dbraw/zinc/53/43/05/527534305.db2.gz JDBXGONWTRXKEL-UHFFFAOYSA-N 1 0 282.815 2.625 50 0 CFAARO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)CC1CC1 ZINC000124905373 528771331 /nfs/dbraw/zinc/77/13/31/528771331.db2.gz HZKVIAKUQJRQAZ-UHFFFAOYSA-N 1 0 260.381 2.620 50 0 CFAARO CC1(C)CC[C@H](C[NH+]2CCC(O)(c3ccccc3)CC2)O1 ZINC000187556946 529038422 /nfs/dbraw/zinc/03/84/22/529038422.db2.gz UHQXZTIFHVDIJE-MRXNPFEDSA-N 1 0 289.419 2.928 50 0 CFAARO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccc(Cl)s1 ZINC000096477060 529167310 /nfs/dbraw/zinc/16/73/10/529167310.db2.gz UDNGWWFKAIEOSN-SECBINFHSA-N 1 0 295.857 2.877 50 0 CFAARO C[N@H+](C[C@@H](O)c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000240744090 536420872 /nfs/dbraw/zinc/42/08/72/536420872.db2.gz HULHJXZUEGRJGY-QWHCGFSZSA-N 1 0 271.813 2.811 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCN(C)C1)CCC2 ZINC000098020460 545572125 /nfs/dbraw/zinc/57/21/25/545572125.db2.gz VYIZHTMXZXSWQP-WCQYABFASA-N 1 0 265.426 2.513 50 0 CFAARO CCCCc1nc(CN(C)C[C@]2(C)CC[N@H+](C)C2)c[nH]1 ZINC000952981728 614491242 /nfs/dbraw/zinc/49/12/42/614491242.db2.gz JXPNRIBMVTYTAA-MRXNPFEDSA-N 1 0 278.444 2.526 50 0 CFAARO CC[C@H](C(=O)NCc1ccc(C)cc1C)[N@H+](C)CC ZINC000952964188 615607230 /nfs/dbraw/zinc/60/72/30/615607230.db2.gz MZHNGNHFPPRGCH-OAHLLOKOSA-N 1 0 262.397 2.650 50 0 CFAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCC[C@@H](C)C1 ZINC000023283251 617841571 /nfs/dbraw/zinc/84/15/71/617841571.db2.gz XGSFSMOKZNRERD-MCIONIFRSA-N 1 0 253.386 2.983 50 0 CFAARO c1ccc(NCCC[NH2+][C@H]2COCc3ncccc32)cc1 ZINC000888101019 619133259 /nfs/dbraw/zinc/13/32/59/619133259.db2.gz OBWAQEBCIROWQE-KRWDZBQOSA-N 1 0 283.375 2.745 50 0 CFAARO Cc1cc(C[NH3+])cc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000837306361 619877126 /nfs/dbraw/zinc/87/71/26/619877126.db2.gz GBXATMPOWILQHD-CYBMUJFWSA-N 1 0 296.461 2.631 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000229475782 623208190 /nfs/dbraw/zinc/20/81/90/623208190.db2.gz VZOFCGUVUCUHGV-HZPDHXFCSA-N 1 0 278.440 2.923 50 0 CFAARO Cc1ccoc1C(=O)NC[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000952968258 626114504 /nfs/dbraw/zinc/11/45/04/626114504.db2.gz FLJMTHQNAJDQOX-AWEZNQCLSA-N 1 0 299.374 2.629 50 0 CFAARO O[C@H]1CCC[N@H+](CCc2c[nH]c3ccccc23)CC1 ZINC000670449182 626408113 /nfs/dbraw/zinc/40/81/13/626408113.db2.gz WTEXVLBGGIXVES-AWEZNQCLSA-N 1 0 258.365 2.557 50 0 CFAARO C[C@@H]1C[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@@H](C)C1 ZINC000757211130 630883076 /nfs/dbraw/zinc/88/30/76/630883076.db2.gz JOHIBZFLEHXBNV-HGCLJGPKSA-N 1 0 264.335 2.551 50 0 CFAARO COC1([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)CCCC1 ZINC000817578402 632668509 /nfs/dbraw/zinc/66/85/09/632668509.db2.gz VOTRLEZALDDTCG-GXTWGEPZSA-N 1 0 283.437 2.893 50 0 CFAARO CC1=NO[C@@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)C1 ZINC000863950283 637820867 /nfs/dbraw/zinc/82/08/67/637820867.db2.gz JEZSZOADSJNLLY-CYBMUJFWSA-N 1 0 286.335 2.636 50 0 CFAARO CSC1CC([NH2+]C[C@@H](CCO)c2ccccc2)C1 ZINC000863984569 637832713 /nfs/dbraw/zinc/83/27/13/637832713.db2.gz WKICLCTVNVVOQT-WLYUNCDWSA-N 1 0 265.422 2.636 50 0 CFAARO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)C1(Cl)CC1 ZINC000863984629 637833052 /nfs/dbraw/zinc/83/30/52/637833052.db2.gz XHQFIAHMTPVGGE-OCCSQVGLSA-N 1 0 267.800 2.902 50 0 CFAARO C[C@](O)(C[NH2+][C@@H]1CCCC[C@H]1CCCO)c1ccsc1 ZINC000863984258 637833290 /nfs/dbraw/zinc/83/32/90/637833290.db2.gz PMCMFKSPSZRXEJ-IMJJTQAJSA-N 1 0 297.464 2.877 50 0 CFAARO Cc1ccc2[nH+]ccc(N[C@@H]3CCN(C)C(=O)C3)c2c1 ZINC000192856202 650603303 /nfs/dbraw/zinc/60/33/03/650603303.db2.gz MQCOOXWICHOMKX-GFCCVEGCSA-N 1 0 269.348 2.576 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[N@H+](C)CCc2scnc2C)n1 ZINC000952983850 650791917 /nfs/dbraw/zinc/79/19/17/650791917.db2.gz YDHFWALSZPWODC-ZDUSSCGKSA-N 1 0 292.452 2.828 50 0 CFAARO OC[C@H]1CCC[N@H+](CCCNc2nccc3ccccc32)C1 ZINC000952968576 650790057 /nfs/dbraw/zinc/79/00/57/650790057.db2.gz MKFUWIKLVIHJIS-HNNXBMFYSA-N 1 0 299.418 2.741 50 0 CFAARO CN(Cc1ccc(Br)o1)C1CC[NH+](C)CC1 ZINC000000200283 651100289 /nfs/dbraw/zinc/10/02/89/651100289.db2.gz ICOLCTVQARDCSH-UHFFFAOYSA-N 1 0 287.201 2.568 50 0 CFAARO Cc1ccc(C[N@H+](C)CCc2nc3ccccc3[nH]2)cn1 ZINC000020452276 651299162 /nfs/dbraw/zinc/29/91/62/651299162.db2.gz GMRCTWWTRQGBRP-UHFFFAOYSA-N 1 0 280.375 2.941 50 0 CFAARO O=C(NC1CCCC1)N1CCCCC[C@H]1C[NH+]1CCCC1 ZINC000581788041 775468020 /nfs/dbraw/zinc/46/80/20/775468020.db2.gz QEPGNTFTHDUCDH-INIZCTEOSA-N 1 0 293.455 2.979 50 0 CFAARO Cc1nc(CO[C@H]2CCC[N@H+](CC3CCCCC3)C2)no1 ZINC000675016128 775983399 /nfs/dbraw/zinc/98/33/99/775983399.db2.gz GUHHWAVMRVGHAA-HNNXBMFYSA-N 1 0 293.411 2.939 50 0 CFAARO CC(C)N1CCC[N@H+](C[C@H]2CCOC(C)(C)C2)CC1 ZINC000821751134 781885540 /nfs/dbraw/zinc/88/55/40/781885540.db2.gz HXVGXMLUKTZDDS-HNNXBMFYSA-N 1 0 268.445 2.608 50 0 CFAARO CC(C)n1nc(-c2ccccc2)nc1[C@@H]1CCC[NH2+]C1 ZINC000822288462 781896856 /nfs/dbraw/zinc/89/68/56/781896856.db2.gz LQIGXBMHJSIHFZ-CQSZACIVSA-N 1 0 270.380 2.993 50 0 CFAARO C[C@H](NC(=O)c1ccc2[nH]ccc2c1)C(C)(C)C[NH+](C)C ZINC000096449592 230375496 /nfs/dbraw/zinc/37/54/96/230375496.db2.gz ORJQHFYSHWTUGB-LBPRGKRZSA-N 1 0 287.407 2.874 50 0 CFAARO CSC[C@](C)(O)CNc1cc[nH+]c2cc(F)ccc12 ZINC000096453711 230376454 /nfs/dbraw/zinc/37/64/54/230376454.db2.gz LNVROEVXNWWBNM-CQSZACIVSA-N 1 0 280.368 2.900 50 0 CFAARO OCC[N@H+](Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000096455346 230377168 /nfs/dbraw/zinc/37/71/68/230377168.db2.gz KRGAGBKKZWJCRQ-QGZVFWFLSA-N 1 0 268.360 2.563 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000097831095 230387880 /nfs/dbraw/zinc/38/78/80/230387880.db2.gz HGKKLKALTUHFHG-CQSZACIVSA-N 1 0 278.444 2.623 50 0 CFAARO Cc1nn(C)c2nc(NCC[C@@H]3CCCC[N@@H+]3C)sc12 ZINC000095501071 185000053 /nfs/dbraw/zinc/00/00/53/185000053.db2.gz GHJQTAMNOKJFCJ-NSHDSACASA-N 1 0 293.440 2.625 50 0 CFAARO CC(=O)c1cc(CN2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cs1 ZINC000095512124 185002074 /nfs/dbraw/zinc/00/20/74/185002074.db2.gz PUSJRSQZXDRLEI-LSDHHAIUSA-N 1 0 294.464 2.969 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[NH2+]2)CC1 ZINC000095743205 185024684 /nfs/dbraw/zinc/02/46/84/185024684.db2.gz OWZXTCUXFLJUDF-CQSZACIVSA-N 1 0 254.374 2.530 50 0 CFAARO C[C@H](CO)[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000095968674 185047813 /nfs/dbraw/zinc/04/78/13/185047813.db2.gz ZYQHZJVPPXAIAO-RKDXNWHRSA-N 1 0 263.259 2.617 50 0 CFAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccnc(Cl)c1 ZINC000095971614 185048465 /nfs/dbraw/zinc/04/84/65/185048465.db2.gz GEAUXFLICHYARO-UHFFFAOYSA-N 1 0 287.750 2.633 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)OC)CC2 ZINC000095973600 185050390 /nfs/dbraw/zinc/05/03/90/185050390.db2.gz VASSTQCDEFTGQA-AWEZNQCLSA-N 1 0 263.381 2.567 50 0 CFAARO Clc1cccc(N2CC[C@H]([NH2+]C[C@@H]3CCOC3)C2)c1 ZINC000095983564 185054319 /nfs/dbraw/zinc/05/43/19/185054319.db2.gz SNYLHQQGHKBDMJ-JSGCOSHPSA-N 1 0 280.799 2.545 50 0 CFAARO CC(C)(C[NH2+]C[C@H](O)c1ccncc1)c1ccccc1 ZINC000095984305 185055053 /nfs/dbraw/zinc/05/50/53/185055053.db2.gz FWRBIAXBZPKXQT-INIZCTEOSA-N 1 0 270.376 2.682 50 0 CFAARO C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1F ZINC000095984089 185055098 /nfs/dbraw/zinc/05/50/98/185055098.db2.gz KEIVAAMBNCCVEC-UHFFFAOYSA-N 1 0 265.307 2.683 50 0 CFAARO COC[C@H]1CCC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000095986722 185056004 /nfs/dbraw/zinc/05/60/04/185056004.db2.gz HIMHGVPDXZUKFT-ZDUSSCGKSA-N 1 0 279.428 2.576 50 0 CFAARO C[C@@H]([NH2+]CCn1ccnc1)c1cccc(F)c1F ZINC000095986039 185056709 /nfs/dbraw/zinc/05/67/09/185056709.db2.gz CDRAITWTFHBQQE-SNVBAGLBSA-N 1 0 251.280 2.512 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)C12CCC2 ZINC000095987971 185057151 /nfs/dbraw/zinc/05/71/51/185057151.db2.gz FVVQERVYGKRJJO-OLZOCXBDSA-N 1 0 295.452 2.646 50 0 CFAARO CCS[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2OC)C1 ZINC000095990135 185057747 /nfs/dbraw/zinc/05/77/47/185057747.db2.gz DMDGKZCJBJDDBU-VXGBXAGGSA-N 1 0 283.441 2.501 50 0 CFAARO C[NH+]1CCC(CC(=O)NC2(c3ccccc3F)CC2)CC1 ZINC000096012417 185065832 /nfs/dbraw/zinc/06/58/32/185065832.db2.gz NIGWLONUHWAGMZ-UHFFFAOYSA-N 1 0 290.382 2.663 50 0 CFAARO COc1ccc(Cc2cnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000096032191 185067277 /nfs/dbraw/zinc/06/72/77/185067277.db2.gz ZVNZTCUFOOKOJV-CQSZACIVSA-N 1 0 258.321 2.699 50 0 CFAARO OC[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000125363893 187181174 /nfs/dbraw/zinc/18/11/74/187181174.db2.gz QHRWAIAEEHRRBY-GOEBONIOSA-N 1 0 269.429 2.867 50 0 CFAARO C[NH2+]Cc1cccc(NC(=O)c2ccnc(Cl)c2)c1 ZINC000097019510 185153078 /nfs/dbraw/zinc/15/30/78/185153078.db2.gz MSEDZQOLJKTKBC-UHFFFAOYSA-N 1 0 275.739 2.707 50 0 CFAARO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000097033156 185156243 /nfs/dbraw/zinc/15/62/43/185156243.db2.gz MYRAQZGQAZUVDI-JTQLQIEISA-N 1 0 286.778 2.998 50 0 CFAARO CNC(=O)CC[NH2+][C@H](c1cccc(F)c1)C(C)(C)C ZINC000097033616 185156394 /nfs/dbraw/zinc/15/63/94/185156394.db2.gz KYQVIULKRPPITR-CQSZACIVSA-N 1 0 266.360 2.639 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1CO)c1cccc(CO)c1 ZINC000097035132 185157740 /nfs/dbraw/zinc/15/77/40/185157740.db2.gz LWLQNHNSMRXRQH-IAOVAPTHSA-N 1 0 277.408 2.771 50 0 CFAARO C[C@@H](OC(=O)c1ccn2c[nH+]cc2c1)c1ccccn1 ZINC000097034302 185157865 /nfs/dbraw/zinc/15/78/65/185157865.db2.gz PEYRQQRYFBKIJO-LLVKDONJSA-N 1 0 267.288 2.647 50 0 CFAARO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)c(C)n1 ZINC000089614916 282164438 /nfs/dbraw/zinc/16/44/38/282164438.db2.gz IEPBTOKNMOPYOC-YPMHNXCESA-N 1 0 298.390 2.771 50 0 CFAARO Cc1ccccc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000105801956 136378965 /nfs/dbraw/zinc/37/89/65/136378965.db2.gz LGZBWWZIHXYOBB-MRXNPFEDSA-N 1 0 282.391 2.544 50 0 CFAARO CCc1cc(C[NH2+][C@H]2CCN([C@@H](C)c3ccccc3)C2)[nH]n1 ZINC000075093203 347054157 /nfs/dbraw/zinc/05/41/57/347054157.db2.gz MUXRBSDRRBQCPV-YOEHRIQHSA-N 1 0 298.434 2.897 50 0 CFAARO CC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CCC[C@@H]21 ZINC000075566910 347085529 /nfs/dbraw/zinc/08/55/29/347085529.db2.gz GHVDXGOQIROAKN-CABCVRRESA-N 1 0 258.365 2.539 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCc2ccncc2)n1 ZINC000075605699 347086508 /nfs/dbraw/zinc/08/65/08/347086508.db2.gz GHTYKLIINOJHOR-GOSISDBHSA-N 1 0 298.434 2.992 50 0 CFAARO CC(C)[NH2+]C1CCN(c2nc3ccccc3cc2CO)CC1 ZINC000095399226 136516569 /nfs/dbraw/zinc/51/65/69/136516569.db2.gz GKCBATQXEUNXHE-UHFFFAOYSA-N 1 0 299.418 2.694 50 0 CFAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(C(N)=O)CC1 ZINC000000757155 346205778 /nfs/dbraw/zinc/20/57/78/346205778.db2.gz HOARYMSXLCHYIH-ZDUSSCGKSA-N 1 0 252.402 2.566 50 0 CFAARO CCc1cccc(CC)c1NC(=O)OCC[NH+](C)C ZINC000019861832 346243061 /nfs/dbraw/zinc/24/30/61/346243061.db2.gz IFUZMCMLGIEKFD-UHFFFAOYSA-N 1 0 264.369 2.922 50 0 CFAARO [NH3+]CC[C@H]1Cc2ccccc2C(=O)c2ccccc21 ZINC000019865882 346243078 /nfs/dbraw/zinc/24/30/78/346243078.db2.gz RVQFRQQMKWATCG-ZDUSSCGKSA-N 1 0 251.329 2.906 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)OCCC12CC3CC(CC(C3)C1)C2 ZINC000032106148 346300452 /nfs/dbraw/zinc/30/04/52/346300452.db2.gz UVECCAUJNOJTMG-KLZNEWFBSA-N 1 0 281.440 2.926 50 0 CFAARO C[NH+]1CCN(CCOc2cccc(Cl)c2Cl)CC1 ZINC000039425365 346343554 /nfs/dbraw/zinc/34/35/54/346343554.db2.gz AGABWUZLGZPHJI-UHFFFAOYSA-N 1 0 289.206 2.620 50 0 CFAARO Cc1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)s1 ZINC000128405948 187368430 /nfs/dbraw/zinc/36/84/30/187368430.db2.gz AHQIDETWPJPZQR-GFCCVEGCSA-N 1 0 261.394 2.780 50 0 CFAARO CSCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048199075 346469014 /nfs/dbraw/zinc/46/90/14/346469014.db2.gz LNLPRCQCJKXBLH-UHFFFAOYSA-N 1 0 278.421 2.974 50 0 CFAARO CNC(=O)c1cc([C@H]2CC[C@H](C[NH3+])CC2)nc2ccccc21 ZINC000100652501 185721475 /nfs/dbraw/zinc/72/14/75/185721475.db2.gz GPMCHRMNRKHAMF-BETUJISGSA-N 1 0 297.402 2.827 50 0 CFAARO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000061040252 346674926 /nfs/dbraw/zinc/67/49/26/346674926.db2.gz BPZXEFRJVIZNSD-IRXDYDNUSA-N 1 0 291.439 2.679 50 0 CFAARO Fc1ccc([C@@H]2CCC[N@@H+]2CCn2cccn2)cc1 ZINC000064140235 346715735 /nfs/dbraw/zinc/71/57/35/346715735.db2.gz SLHQVUHPIJMPSN-HNNXBMFYSA-N 1 0 259.328 2.859 50 0 CFAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000079020805 347285322 /nfs/dbraw/zinc/28/53/22/347285322.db2.gz FRYFPIYYAUVTTP-OLZOCXBDSA-N 1 0 253.415 2.574 50 0 CFAARO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CC ZINC000078467463 347255551 /nfs/dbraw/zinc/25/55/51/347255551.db2.gz SSUNIEBHQGPUCV-GJZGRUSLSA-N 1 0 261.365 2.708 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)[C@H](C)C1 ZINC000084714904 347470161 /nfs/dbraw/zinc/47/01/61/347470161.db2.gz YZRWGPNTGMHPSC-DYVFJYSZSA-N 1 0 297.402 2.581 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000089937625 347532642 /nfs/dbraw/zinc/53/26/42/347532642.db2.gz FETYDQSHNXRJNQ-BLLLJJGKSA-N 1 0 285.391 2.514 50 0 CFAARO COc1ccc2c(c1)OC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C2 ZINC000097231105 347707995 /nfs/dbraw/zinc/70/79/95/347707995.db2.gz YAJDBMRSEQFPDR-SLEUVZQESA-N 1 0 291.391 2.544 50 0 CFAARO Cc1cccnc1C[NH+]1CCC(c2nncn2C(C)C)CC1 ZINC000097238686 347708543 /nfs/dbraw/zinc/70/85/43/347708543.db2.gz RDWAUOXTDTXWMF-UHFFFAOYSA-N 1 0 299.422 2.942 50 0 CFAARO CCc1[nH]nc(NC2CC[NH+](C(C)C)CC2)c1C ZINC000097238327 347708750 /nfs/dbraw/zinc/70/87/50/347708750.db2.gz ANUWYLYZXQAMLM-UHFFFAOYSA-N 1 0 250.390 2.565 50 0 CFAARO Cc1ncsc1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000097377032 347709567 /nfs/dbraw/zinc/70/95/67/347709567.db2.gz VHTDSKVIFCLAIN-CYBMUJFWSA-N 1 0 290.436 2.640 50 0 CFAARO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000097374111 347709615 /nfs/dbraw/zinc/70/96/15/347709615.db2.gz UEYKUYOQHGHUJN-HUBLWGQQSA-N 1 0 294.370 2.618 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2)C[N@@H+](C)C[C@H]1CC ZINC000102190434 347716842 /nfs/dbraw/zinc/71/68/42/347716842.db2.gz VFVRCUAINDTTOF-CJNGLKHVSA-N 1 0 261.365 2.807 50 0 CFAARO Cc1nnc(CCC[N@@H+](C)[C@@H]2CCCC[C@@H]2C)o1 ZINC000120010215 347805393 /nfs/dbraw/zinc/80/53/93/347805393.db2.gz QCUFXDALUKBVLR-WCQYABFASA-N 1 0 251.374 2.821 50 0 CFAARO CCS[C@@H]1CC[C@@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000133100333 347890148 /nfs/dbraw/zinc/89/01/48/347890148.db2.gz BNVFAPZTWKTTDQ-NEXFUWMNSA-N 1 0 284.469 2.698 50 0 CFAARO CC[C@@H](C)[N@@H+](Cc1cccn1C)C[C@@H](O)COC(C)(C)C ZINC000169677300 348051637 /nfs/dbraw/zinc/05/16/37/348051637.db2.gz VUTLPXRKTSBDFA-GDBMZVCRSA-N 1 0 296.455 2.802 50 0 CFAARO C(=C\c1ccccc1)\C[NH2+]CCOc1ccccn1 ZINC000169620296 348051730 /nfs/dbraw/zinc/05/17/30/348051730.db2.gz NBIIKFWVIBCDDR-TWGQIWQCSA-N 1 0 254.333 2.763 50 0 CFAARO c1[nH]nc2c1cccc2C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000170656638 348058695 /nfs/dbraw/zinc/05/86/95/348058695.db2.gz NYADOPWVFXKGQD-HNNXBMFYSA-N 1 0 263.344 2.992 50 0 CFAARO C[C@H](C[NH2+][C@H](C1CC1)C1CCCCC1)[S@@](C)=O ZINC000195558172 348146249 /nfs/dbraw/zinc/14/62/49/348146249.db2.gz WDSKGVLFJKKSIW-HYSWKAIVSA-N 1 0 257.443 2.702 50 0 CFAARO Cc1cccc2nc(C[NH2+][C@@H]3CCCC3(C)C)cc(=O)n12 ZINC000225570106 348178662 /nfs/dbraw/zinc/17/86/62/348178662.db2.gz HLKHVADLYABKME-CQSZACIVSA-N 1 0 285.391 2.671 50 0 CFAARO C[C@H](C[NH2+][C@H](C1CC1)C1CCCCC1)[S@](C)=O ZINC000230467377 348205929 /nfs/dbraw/zinc/20/59/29/348205929.db2.gz WDSKGVLFJKKSIW-WHCBVINPSA-N 1 0 257.443 2.702 50 0 CFAARO C[C@H](C[N@@H+]1CCC[C@H](CCC(N)=O)C1)c1ccc(F)cc1 ZINC000230469743 348206054 /nfs/dbraw/zinc/20/60/54/348206054.db2.gz HOTWVCPWLUFHAV-ZIAGYGMSSA-N 1 0 292.398 2.907 50 0 CFAARO CC1(C)CCCN(C(=O)CCCCCC[NH3+])CC1 ZINC000087657825 179464034 /nfs/dbraw/zinc/46/40/34/179464034.db2.gz QVTRRDUKFZEMGA-UHFFFAOYSA-N 1 0 254.418 2.934 50 0 CFAARO Cc1cnc([C@H](C)NCCOc2ccc(C#N)cc2)o1 ZINC000390834000 348544113 /nfs/dbraw/zinc/54/41/13/348544113.db2.gz QFJFHTKIFBLDJZ-LBPRGKRZSA-N 1 0 271.320 2.584 50 0 CFAARO Fc1cccc(-n2cc(C[NH2+][C@@H]3CCSC3)cn2)c1 ZINC000584893323 348730483 /nfs/dbraw/zinc/73/04/83/348730483.db2.gz QQNWDQODIRNTAJ-CYBMUJFWSA-N 1 0 277.368 2.607 50 0 CFAARO Cc1nc(CC2CC[NH+](C)CC2)nn1CCc1ccccc1 ZINC000584896768 348731371 /nfs/dbraw/zinc/73/13/71/348731371.db2.gz NAPSQZPDNZIFRD-UHFFFAOYSA-N 1 0 298.434 2.714 50 0 CFAARO CCc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCC2)[nH]1 ZINC000584898367 348731503 /nfs/dbraw/zinc/73/15/03/348731503.db2.gz YUALPOSHPLPDTB-UHFFFAOYSA-N 1 0 277.412 2.524 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCCOC2)c2cccnc12 ZINC000584900276 348732187 /nfs/dbraw/zinc/73/21/87/348732187.db2.gz WEABMDXUSFCJJM-AWEZNQCLSA-N 1 0 256.349 2.812 50 0 CFAARO CCC1CCN(CC[NH2+]C2CSCCSC2)CC1 ZINC000584901496 348733062 /nfs/dbraw/zinc/73/30/62/348733062.db2.gz LDTDTXRXKXPTQH-UHFFFAOYSA-N 1 0 288.526 2.547 50 0 CFAARO C[C@@H]([NH2+]Cc1noc2c1CCCC2)[C@H]1CCCCO1 ZINC000585136529 348736446 /nfs/dbraw/zinc/73/64/46/348736446.db2.gz JQOAHWLBYYBEFP-BXUZGUMPSA-N 1 0 264.369 2.601 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H](c1ccccc1)N(C)C ZINC000585140472 348737189 /nfs/dbraw/zinc/73/71/89/348737189.db2.gz FQNNRIRYQWMOHE-SUMWQHHRSA-N 1 0 285.391 2.568 50 0 CFAARO CN1C(=O)C[C@H]([NH2+]CCCF)[C@H]1c1ccc(Cl)cc1 ZINC000192159723 282644824 /nfs/dbraw/zinc/64/48/24/282644824.db2.gz QBRWSCLSIYPEJN-GXTWGEPZSA-N 1 0 284.762 2.561 50 0 CFAARO O=C(C1CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000089818990 179870577 /nfs/dbraw/zinc/87/05/77/179870577.db2.gz OREZFVVBVUYHQU-AWEZNQCLSA-N 1 0 264.413 2.511 50 0 CFAARO Cc1cccc(C[N@@H+]2CC[C@@](O)(C3CCC3)[C@H](C)C2)n1 ZINC000091270199 180118126 /nfs/dbraw/zinc/11/81/26/180118126.db2.gz MYEWLLMKEPYSMG-DYVFJYSZSA-N 1 0 274.408 2.763 50 0 CFAARO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000091378164 180143618 /nfs/dbraw/zinc/14/36/18/180143618.db2.gz GPORYBCAQMYEFS-HZPDHXFCSA-N 1 0 287.407 2.531 50 0 CFAARO CCCc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)cs1 ZINC000091390712 180143707 /nfs/dbraw/zinc/14/37/07/180143707.db2.gz BMVFKYUNDIFHIP-KGLIPLIRSA-N 1 0 278.421 2.510 50 0 CFAARO Cc1cc(C)c(C[N@@H+](C)C2CCS(=O)(=O)CC2)c(C)c1 ZINC000079470379 539769158 /nfs/dbraw/zinc/76/91/58/539769158.db2.gz FRMPFYSGTDULLR-UHFFFAOYSA-N 1 0 295.448 2.621 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@](CO)(CCOC)C2)cc1 ZINC000091427152 180151741 /nfs/dbraw/zinc/15/17/41/180151741.db2.gz DTRLKYGSNIYNAB-SFHVURJKSA-N 1 0 291.435 2.860 50 0 CFAARO Cc1ccc(C2(C(=O)N3C[C@H]4CC[C@H](C[N@H+]4C)C3)CC2)cc1 ZINC000091526719 180178625 /nfs/dbraw/zinc/17/86/25/180178625.db2.gz KVGQWMRKIREOJZ-NVXWUHKLSA-N 1 0 298.430 2.579 50 0 CFAARO Cc1nonc1C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000091535649 180182457 /nfs/dbraw/zinc/18/24/57/180182457.db2.gz MAWLRMIBWHQHOC-INIZCTEOSA-N 1 0 271.364 2.932 50 0 CFAARO Cc1cccc(CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C2CC2)c1 ZINC000091545912 180186556 /nfs/dbraw/zinc/18/65/56/180186556.db2.gz QEQREERQSJFVOG-LSDHHAIUSA-N 1 0 272.392 2.613 50 0 CFAARO c1ccc(C[N@H+]2CCC[C@@H](CNc3ccncn3)C2)cc1 ZINC000091680116 180226689 /nfs/dbraw/zinc/22/66/89/180226689.db2.gz SJEXHLOBZMBODV-INIZCTEOSA-N 1 0 282.391 2.801 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1ccc(Cl)s1 ZINC000091792919 180256988 /nfs/dbraw/zinc/25/69/88/180256988.db2.gz RIEBMFMXEAFHJF-LLVKDONJSA-N 1 0 286.828 2.892 50 0 CFAARO Cc1c(C(=O)NC[C@H]2CCC[NH2+]2)[nH]c2c1c(C)ccc2C ZINC000091736560 180244036 /nfs/dbraw/zinc/24/40/36/180244036.db2.gz YNESLUGYEXGPDJ-CYBMUJFWSA-N 1 0 285.391 2.575 50 0 CFAARO CN(C(=O)C1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091845713 180270345 /nfs/dbraw/zinc/27/03/45/180270345.db2.gz ADEJZRISSVHGLJ-UHFFFAOYSA-N 1 0 252.402 2.685 50 0 CFAARO Cc1ncnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000091876473 180278715 /nfs/dbraw/zinc/27/87/15/180278715.db2.gz XQIVOPJSQAKASV-INIZCTEOSA-N 1 0 282.391 2.780 50 0 CFAARO Cc1[nH]c2c(c1CC(=O)N1CCC[C@H]([NH3+])C1)c(C)ccc2C ZINC000091907649 180283840 /nfs/dbraw/zinc/28/38/40/180283840.db2.gz WVQCSDRSVMVLGL-AWEZNQCLSA-N 1 0 299.418 2.585 50 0 CFAARO COc1cc(C)ccc1C[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000092045734 180311072 /nfs/dbraw/zinc/31/10/72/180311072.db2.gz WHYYOKHDCGDUJX-CJNGLKHVSA-N 1 0 263.381 2.596 50 0 CFAARO CCc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)o1 ZINC000091985945 180298585 /nfs/dbraw/zinc/29/85/85/180298585.db2.gz VNTVSHGPICATME-WBMJQRKESA-N 1 0 263.381 2.825 50 0 CFAARO CCCOc1ccccc1C(=O)N1C[C@H]([NH3+])[C@@H](CCC)C1 ZINC000091997223 180302941 /nfs/dbraw/zinc/30/29/41/180302941.db2.gz ILKCLNRHOYTYNT-ZFWWWQNUSA-N 1 0 290.407 2.675 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC000092101343 180325518 /nfs/dbraw/zinc/32/55/18/180325518.db2.gz QZFOVHCQDHCICM-KRWDZBQOSA-N 1 0 274.408 2.604 50 0 CFAARO CC(C)(C)C(=O)NCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129746403 187451417 /nfs/dbraw/zinc/45/14/17/187451417.db2.gz ZNHSGCQAQCNOHD-MNOVXSKESA-N 1 0 294.361 2.859 50 0 CFAARO CC(C)C[C@H](C[NH3+])NC(=O)Cc1cccc2ccccc21 ZINC000111366731 186406988 /nfs/dbraw/zinc/40/69/88/186406988.db2.gz KAGBLFIXBMZNIZ-MRXNPFEDSA-N 1 0 284.403 2.872 50 0 CFAARO C[C@H]([NH2+]Cc1cc(Cl)ccc1F)[C@@H]1CCOC1 ZINC000119360223 186822371 /nfs/dbraw/zinc/82/23/71/186822371.db2.gz DLYBYTQGHDPIOD-VHSXEESVSA-N 1 0 257.736 2.994 50 0 CFAARO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000131585909 187575075 /nfs/dbraw/zinc/57/50/75/187575075.db2.gz XTZZDGAGSLXOLZ-ZJUUUORDSA-N 1 0 253.367 2.817 50 0 CFAARO Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000152255326 188005284 /nfs/dbraw/zinc/00/52/84/188005284.db2.gz SBGBINZNIXVLST-GFCCVEGCSA-N 1 0 271.307 2.865 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000154698561 188158013 /nfs/dbraw/zinc/15/80/13/188158013.db2.gz MHFZEUXIRZSATF-DJJJIMSYSA-N 1 0 294.445 2.661 50 0 CFAARO Cc1c2ccccc2oc1C[N@@H+](C)[C@@H]1CCN(C)C1 ZINC000223380327 539992879 /nfs/dbraw/zinc/99/28/79/539992879.db2.gz ORFRXHQPLGSOSZ-CYBMUJFWSA-N 1 0 258.365 2.877 50 0 CFAARO O=C(NCCc1cccc(-c2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000158859095 188397017 /nfs/dbraw/zinc/39/70/17/188397017.db2.gz ZLNONUMWSJZFIV-SFHVURJKSA-N 1 0 294.398 2.622 50 0 CFAARO CCC(F)(F)C(C)(C)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000623350833 353621953 /nfs/dbraw/zinc/62/19/53/353621953.db2.gz VGXRBMJMNVMBLH-LBPRGKRZSA-N 1 0 284.350 2.874 50 0 CFAARO Cc1c(C(=O)N[C@H](C)C(C)(C)C)ccc2c[nH+]cn21 ZINC000685939758 540020959 /nfs/dbraw/zinc/02/09/59/540020959.db2.gz LWBJVVDAPFUZNI-LLVKDONJSA-N 1 0 259.353 2.807 50 0 CFAARO CN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000083847688 540185746 /nfs/dbraw/zinc/18/57/46/540185746.db2.gz NMHZWHRKJUFAQJ-AWEZNQCLSA-N 1 0 295.814 2.747 50 0 CFAARO C[N@@H+]1CC[C@H](CNC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000066653127 283115259 /nfs/dbraw/zinc/11/52/59/283115259.db2.gz UFZYQLWOSVSQCD-GFCCVEGCSA-N 1 0 292.448 2.699 50 0 CFAARO CN1C[C@@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CCC1=O ZINC000095968245 283203699 /nfs/dbraw/zinc/20/36/99/283203699.db2.gz CVSXWBFDWFDPHF-WCQYABFASA-N 1 0 276.380 2.504 50 0 CFAARO Cc1ncc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)s1 ZINC000090399558 540361527 /nfs/dbraw/zinc/36/15/27/540361527.db2.gz FMCZLNOFUIMBHH-JQWIXIFHSA-N 1 0 290.388 2.942 50 0 CFAARO C[C@H]([C@H](C)[NH2+]C[C@@H](O)c1ccccc1Cl)n1cccn1 ZINC000229566783 540363927 /nfs/dbraw/zinc/36/39/27/540363927.db2.gz FVRMCZYCHFNMFI-YWPYICTPSA-N 1 0 293.798 2.809 50 0 CFAARO CN(C(=O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052945309 540384275 /nfs/dbraw/zinc/38/42/75/540384275.db2.gz PTXQLIWJIKUOOC-YIONKMFJSA-N 1 0 292.810 2.624 50 0 CFAARO CCOC1CC([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329195352 202227229 /nfs/dbraw/zinc/22/72/29/202227229.db2.gz UERFXNZMJOMBMZ-UAKHECDHSA-N 1 0 268.401 2.677 50 0 CFAARO O[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)c1ccncc1 ZINC000091402513 540395396 /nfs/dbraw/zinc/39/53/96/540395396.db2.gz BVPKOTPVYHZQNR-SJORKVTESA-N 1 0 268.360 2.856 50 0 CFAARO C[N@H+](CCCC1CCCC1)CC[C@@H]1CCS(=O)(=O)C1 ZINC000823693043 781936321 /nfs/dbraw/zinc/93/63/21/781936321.db2.gz HFMWSQSTVHMTPT-OAHLLOKOSA-N 1 0 287.469 2.713 50 0 CFAARO Cc1cc(C)c(C[N@@H+](C)CC2(C)COC2)c(-n2cccn2)c1 ZINC000823683719 781936370 /nfs/dbraw/zinc/93/63/70/781936370.db2.gz BCQNTPDQLGTMGZ-UHFFFAOYSA-N 1 0 299.418 2.957 50 0 CFAARO COCc1ccc(C[N@@H+]2CCC[C@H](c3cn[nH]c3)C2)cc1 ZINC000092809712 540412033 /nfs/dbraw/zinc/41/20/33/540412033.db2.gz JSMJQTJWECPSLF-INIZCTEOSA-N 1 0 285.391 2.936 50 0 CFAARO C[NH2+]Cc1cccc(NC(=O)C[C@H]2CSCCS2)c1 ZINC000296829282 200008799 /nfs/dbraw/zinc/00/87/99/200008799.db2.gz BABQHWBHQNDSLL-ZDUSSCGKSA-N 1 0 296.461 2.583 50 0 CFAARO C[NH2+]Cc1cccc(NC(=O)c2cn(C)nc2C(C)C)c1 ZINC000297349335 200157868 /nfs/dbraw/zinc/15/78/68/200157868.db2.gz ZBVYEYRXDZOHPO-UHFFFAOYSA-N 1 0 286.379 2.515 50 0 CFAARO CN1CCC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000675768660 540687537 /nfs/dbraw/zinc/68/75/37/540687537.db2.gz ZTAQURGHGIAELD-HIFRSBDPSA-N 1 0 260.381 2.584 50 0 CFAARO CCC[C@@H](CNc1cc(C(C)C)nc2ccnn21)[NH+](C)C ZINC000072429674 283523079 /nfs/dbraw/zinc/52/30/79/283523079.db2.gz GSLOFFVUBKJJJC-ZDUSSCGKSA-N 1 0 289.427 2.995 50 0 CFAARO CN1C[C@@H]([NH2+]Cc2cc3ccccc3s2)CCC1=O ZINC000089374926 540717928 /nfs/dbraw/zinc/71/79/28/540717928.db2.gz INLQXRMMGUWYTO-LBPRGKRZSA-N 1 0 274.389 2.612 50 0 CFAARO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccccc1 ZINC000089745437 540719346 /nfs/dbraw/zinc/71/93/46/540719346.db2.gz VNOXWLWWCXPODZ-OAHLLOKOSA-N 1 0 255.365 2.930 50 0 CFAARO CCOCc1cccc(NC(=O)[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000252484065 540745784 /nfs/dbraw/zinc/74/57/84/540745784.db2.gz FNJWJLRCEIWMIQ-SWLSCSKDSA-N 1 0 276.380 2.502 50 0 CFAARO C/C(=C\C(=O)N(C)[C@@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000179113777 189170611 /nfs/dbraw/zinc/17/06/11/189170611.db2.gz JNSCTGORJAVNQI-LMMOQWNQSA-N 1 0 278.783 2.564 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](CC)[C@H]1C ZINC000261361524 540973667 /nfs/dbraw/zinc/97/36/67/540973667.db2.gz KGSIZJJFTPHZGH-XJKSGUPXSA-N 1 0 261.365 2.949 50 0 CFAARO CC[C@@H](NC(=O)CC[NH+]1CCCCC1)c1ccc(C)cn1 ZINC000299794987 200876205 /nfs/dbraw/zinc/87/62/05/200876205.db2.gz KSWVEJWBWZFESP-OAHLLOKOSA-N 1 0 289.423 2.833 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](n2cnc3c(Cl)ccc(Cl)c3c2=O)C1 ZINC000670438335 540994759 /nfs/dbraw/zinc/99/47/59/540994759.db2.gz ZHDTWFUIPNZBDH-HTQZYQBOSA-N 1 0 298.173 2.756 50 0 CFAARO Clc1cccc(OC2C[NH+](C[C@@H]3CCCOC3)C2)c1 ZINC000670439069 540995313 /nfs/dbraw/zinc/99/53/13/540995313.db2.gz HLJQXIVDUQPXHC-LBPRGKRZSA-N 1 0 281.783 2.830 50 0 CFAARO CN(Cc1cc(F)c(F)cc1F)CC1(CO)CCC1 ZINC000670438894 540995415 /nfs/dbraw/zinc/99/54/15/540995415.db2.gz ZPQSUUKFYVOTBJ-UHFFFAOYSA-N 1 0 273.298 2.698 50 0 CFAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC3(CCC(=O)N3)CC1)=CC2 ZINC000670440153 540995821 /nfs/dbraw/zinc/99/58/21/540995821.db2.gz QZYJAUDGHSLSOY-GJZGRUSLSA-N 1 0 288.435 2.723 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cnc(C)c(C)c2)n1 ZINC000670449728 540998695 /nfs/dbraw/zinc/99/86/95/540998695.db2.gz RADQVPBNCZGBHM-ZDUSSCGKSA-N 1 0 272.396 2.690 50 0 CFAARO C[N@H+](C[C@@H]1CCCO1)C1CCN(c2ccccc2F)CC1 ZINC000670450058 540998748 /nfs/dbraw/zinc/99/87/48/540998748.db2.gz VUORPWZGTCPGSU-HNNXBMFYSA-N 1 0 292.398 2.905 50 0 CFAARO CC(C)(O)[C@@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670450518 540998944 /nfs/dbraw/zinc/99/89/44/540998944.db2.gz LJORNOOYGCXQPU-CYBMUJFWSA-N 1 0 258.365 2.761 50 0 CFAARO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1nc(C)c(C)s1 ZINC000670460694 541002707 /nfs/dbraw/zinc/00/27/07/541002707.db2.gz RGMYYTNPSMNMQV-CQSZACIVSA-N 1 0 295.452 2.812 50 0 CFAARO C[N@@H+](Cc1cnc(-c2cccs2)nc1)C[C@H]1CCOC1 ZINC000670454158 541000339 /nfs/dbraw/zinc/00/03/39/541000339.db2.gz XFMMWGLSOAZRMB-GFCCVEGCSA-N 1 0 289.404 2.673 50 0 CFAARO Fc1ccccc1OC[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000670456184 541001486 /nfs/dbraw/zinc/00/14/86/541001486.db2.gz UVGSTTHOHYKQGB-ZDUSSCGKSA-N 1 0 289.354 2.840 50 0 CFAARO CCCOc1ccc(CN2CCOC(C)(C)C2)cc1CO ZINC000670455806 541001503 /nfs/dbraw/zinc/00/15/03/541001503.db2.gz IIWZWUQCMGHALZ-UHFFFAOYSA-N 1 0 293.407 2.579 50 0 CFAARO OCCOc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000670462621 541004526 /nfs/dbraw/zinc/00/45/26/541004526.db2.gz NATOLLFYAJJNMT-UHFFFAOYSA-N 1 0 275.392 2.824 50 0 CFAARO c1ccc(N2CCC[N@@H+]([C@@H]3CCSC3)CC2)cc1 ZINC000670465092 541005852 /nfs/dbraw/zinc/00/58/52/541005852.db2.gz URLNSQBREAGAHF-OAHLLOKOSA-N 1 0 262.422 2.704 50 0 CFAARO COc1ccc(CC[C@@H](C)[N@H+](C)CC2(C)COC2)cc1 ZINC000670467522 541006865 /nfs/dbraw/zinc/00/68/65/541006865.db2.gz JMRRKUAWFIZWEP-CQSZACIVSA-N 1 0 277.408 2.985 50 0 CFAARO CC/C(C)=C/CC[N@@H+](C)C[C@H]1CC(=O)N(CC)C1 ZINC000670469959 541008892 /nfs/dbraw/zinc/00/88/92/541008892.db2.gz LMXGTPJBUWNXIN-MAUPQMMJSA-N 1 0 252.402 2.533 50 0 CFAARO C[N@@H+]1Cc2ccccc2C[C@@H]1CNc1ncccc1F ZINC000823806273 781937623 /nfs/dbraw/zinc/93/76/23/781937623.db2.gz JIXNJAKAENWAOQ-CQSZACIVSA-N 1 0 271.339 2.689 50 0 CFAARO Cc1ncc(C(C)C)c(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000823770657 781938161 /nfs/dbraw/zinc/93/81/61/781938161.db2.gz YHWRVALXDUMOJR-CYBMUJFWSA-N 1 0 262.401 2.662 50 0 CFAARO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000182074083 189313117 /nfs/dbraw/zinc/31/31/17/189313117.db2.gz YPAHDPQOXBJPJQ-SJKOYZFVSA-N 1 0 289.375 2.797 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CCC2 ZINC000183576074 189363114 /nfs/dbraw/zinc/36/31/14/189363114.db2.gz GFBFASJQCIGHDV-QJPTWQEYSA-N 1 0 278.421 2.610 50 0 CFAARO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)on1 ZINC000184557479 189389293 /nfs/dbraw/zinc/38/92/93/189389293.db2.gz TZLKWKBHQHXVSS-STQMWFEESA-N 1 0 295.383 2.518 50 0 CFAARO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1 ZINC000186786475 189450692 /nfs/dbraw/zinc/45/06/92/189450692.db2.gz FMLLJHKXHLTSJM-IAOVAPTHSA-N 1 0 293.407 2.666 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076960398 541331756 /nfs/dbraw/zinc/33/17/56/541331756.db2.gz PHNYQWNEOKGUDD-WBAXXEDZSA-N 1 0 298.430 2.699 50 0 CFAARO C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cnccn1 ZINC000248645885 299344572 /nfs/dbraw/zinc/34/45/72/299344572.db2.gz RMXAWDIIWJKAFG-GRDNDAEWSA-N 1 0 284.407 2.819 50 0 CFAARO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCc2ccc(Cl)cc2)C1 ZINC000215640572 189696118 /nfs/dbraw/zinc/69/61/18/189696118.db2.gz JZNXTYBGYZYEMB-HIFRSBDPSA-N 1 0 294.826 2.906 50 0 CFAARO Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc(Cl)n1 ZINC000225639792 189760459 /nfs/dbraw/zinc/76/04/59/189760459.db2.gz ZGVHFOZGICWHPV-CMPLNLGQSA-N 1 0 254.761 2.558 50 0 CFAARO Cc1cc2occ(C(=O)N[C@H]3CC[NH2+]C3(C)C)c2cc1C ZINC000331747502 204117498 /nfs/dbraw/zinc/11/74/98/204117498.db2.gz ZFKRCBJUXYQXHK-HNNXBMFYSA-N 1 0 286.375 2.920 50 0 CFAARO CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1 ZINC000000004413 371508085 /nfs/dbraw/zinc/50/80/85/371508085.db2.gz XSVMFMHYUFZWBK-NSHDSACASA-N 1 0 250.342 2.760 50 0 fda CFAARO Brc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000000056522 371518685 /nfs/dbraw/zinc/51/86/85/371518685.db2.gz YDWKSSWZGXRQET-UHFFFAOYSA-N 1 0 270.170 2.924 50 0 CFAARO Cc1c[nH]c2cccc(OC[C@H](O)C[NH2+]C(C)(C)C)c12 ZINC000000185556 371552972 /nfs/dbraw/zinc/55/29/72/371552972.db2.gz XAIVBZMKIMCTMO-GFCCVEGCSA-N 1 0 276.380 2.604 50 0 CFAARO C[C@@H]1C(c2ccccc2)[N+](=O)C2(CCCCC2)N1O ZINC000000443245 371616733 /nfs/dbraw/zinc/61/67/33/371616733.db2.gz KBZFTZJYMLOYLC-GFCCVEGCSA-N 1 0 260.337 2.740 50 0 CFAARO CC1(C)CC(NC(=O)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000000217350 371561076 /nfs/dbraw/zinc/56/10/76/371561076.db2.gz COAKRIYNRADYLV-UHFFFAOYSA-N 1 0 274.408 2.655 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000000236077 371564920 /nfs/dbraw/zinc/56/49/20/371564920.db2.gz YVDXRWNLCNPRHF-UHFFFAOYSA-N 1 0 261.365 2.770 50 0 CFAARO C[NH+]1CCC(N2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000000248219 371568124 /nfs/dbraw/zinc/56/81/24/371568124.db2.gz JWWOVXZQVYPKNI-UHFFFAOYSA-N 1 0 269.392 2.620 50 0 CFAARO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000000254297 371569815 /nfs/dbraw/zinc/56/98/15/371569815.db2.gz ILDCWTQUCKROQJ-GFCCVEGCSA-N 1 0 264.344 2.886 50 0 CFAARO CC(=O)Nc1ccc2c(c1)n(C)c(C)[n+]2-c1ccccc1 ZINC000000262676 371572053 /nfs/dbraw/zinc/57/20/53/371572053.db2.gz WQAGSGSDHMPDPN-UHFFFAOYSA-O 1 0 280.351 2.722 50 0 CFAARO CCOC(=O)C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000000279880 371576582 /nfs/dbraw/zinc/57/65/82/371576582.db2.gz VKDBEGHCCOXYLD-GXTWGEPZSA-N 1 0 253.386 2.840 50 0 CFAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)o1 ZINC000000299662 371581110 /nfs/dbraw/zinc/58/11/10/371581110.db2.gz HFPIDFFBVYFKEL-UHFFFAOYSA-N 1 0 292.423 2.962 50 0 CFAARO CCc1c(C)cc(C)cc1OC[C@H](O)C[NH2+]C(C)C ZINC000000395797 371603807 /nfs/dbraw/zinc/60/38/07/371603807.db2.gz ZWQZRKMDLSIKGL-CQSZACIVSA-N 1 0 265.397 2.604 50 0 CFAARO CC(=O)O[C@H](COc1ccccc1)C[NH+]1CCCCCC1 ZINC000000499668 371631900 /nfs/dbraw/zinc/63/19/00/371631900.db2.gz QDFQNFGNMOYFTF-KRWDZBQOSA-N 1 0 291.391 2.873 50 0 CFAARO C[N@@H+]1CCC[C@H](OC(=O)c2ccc(Cl)cc2)C1 ZINC000000551067 371638680 /nfs/dbraw/zinc/63/86/80/371638680.db2.gz JAKUVHIHTFIPLL-LBPRGKRZSA-N 1 0 253.729 2.591 50 0 CFAARO CCN(CC)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000000785829 371649288 /nfs/dbraw/zinc/64/92/88/371649288.db2.gz GAOGKMGPFNCBTP-UHFFFAOYSA-N 1 0 292.398 2.906 50 0 CFAARO OC1(c2cccnc2)CC[NH+](Cc2ccccc2)CC1 ZINC000000815425 371652457 /nfs/dbraw/zinc/65/24/57/371652457.db2.gz LDUXAULZICUOCV-UHFFFAOYSA-N 1 0 268.360 2.565 50 0 CFAARO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000001009792 371656129 /nfs/dbraw/zinc/65/61/29/371656129.db2.gz BJXUGKXVPDLLME-ZFWWWQNUSA-N 1 0 286.375 2.501 50 0 CFAARO [NH3+]CCCCc1nnc(SCc2ccc(F)cc2)o1 ZINC000001901484 371709667 /nfs/dbraw/zinc/70/96/67/371709667.db2.gz QVCSFAZKWOMBNP-UHFFFAOYSA-N 1 0 281.356 2.782 50 0 CFAARO CC[N@H+](CCCCO)[C@@H](C)Cc1ccc(OC)cc1 ZINC000002019203 371713144 /nfs/dbraw/zinc/71/31/44/371713144.db2.gz ZGZAPRVKIAFOPL-AWEZNQCLSA-N 1 0 265.397 2.721 50 0 in-vitro CFAARO C[C@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000002020048 371713403 /nfs/dbraw/zinc/71/34/03/371713403.db2.gz NARHAGIVSFTMIG-OAHLLOKOSA-N 1 0 296.414 2.798 50 0 in-man CFAARO Cc1nc2c3ccccc3oc2c(OCC[NH+](C)C)n1 ZINC000002357898 371723844 /nfs/dbraw/zinc/72/38/44/371723844.db2.gz KXQVHUDZCFWUTI-UHFFFAOYSA-N 1 0 271.320 2.625 50 0 CFAARO COCCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000002511866 371730397 /nfs/dbraw/zinc/73/03/97/371730397.db2.gz NGQKMMXYJHXLMQ-INIZCTEOSA-N 1 0 256.349 2.797 50 0 CFAARO C[NH+](C)CCOC(=O)Nc1ccccc1C(F)(F)F ZINC000001590813 371684531 /nfs/dbraw/zinc/68/45/31/371684531.db2.gz CDBYVOYZIWUWHC-UHFFFAOYSA-N 1 0 276.258 2.816 50 0 CFAARO Cc1nn(C)c2nc3ccccc3c(NCCC[NH+](C)C)c12 ZINC000001610358 371686877 /nfs/dbraw/zinc/68/68/77/371686877.db2.gz PEGJUOKGCQTYPH-UHFFFAOYSA-N 1 0 297.406 2.794 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1cccc(OC)c1 ZINC000002760502 371751374 /nfs/dbraw/zinc/75/13/74/371751374.db2.gz DKMATSZDZZFPNC-UHFFFAOYSA-N 1 0 264.369 2.756 50 0 CFAARO COc1cccc(C=O)c1OCCC[NH+]1CCCCC1 ZINC000002846103 371758984 /nfs/dbraw/zinc/75/89/84/371758984.db2.gz KVLICRGBHHHQBZ-UHFFFAOYSA-N 1 0 277.364 2.763 50 0 CFAARO CC[NH+](CC)CCCNCc1ccc(OC)c(OC)c1 ZINC000002933141 371764504 /nfs/dbraw/zinc/76/45/04/371764504.db2.gz JNBVSCGCKPXESU-UHFFFAOYSA-N 1 0 280.412 2.525 50 0 CFAARO COCCC[NH2+]CCOCCOc1ccc(C(C)C)cc1 ZINC000002981045 371766395 /nfs/dbraw/zinc/76/63/95/371766395.db2.gz CRNNFRFXPPYXBT-UHFFFAOYSA-N 1 0 295.423 2.832 50 0 CFAARO CC[C@@H](C)c1ccccc1OCC[NH2+]CCOC ZINC000003001235 371769012 /nfs/dbraw/zinc/76/90/12/371769012.db2.gz VKRAULQXRWUECJ-CYBMUJFWSA-N 1 0 251.370 2.815 50 0 CFAARO CCc1cccc(OCCCC[NH2+]CCOC)c1 ZINC000003002276 371769273 /nfs/dbraw/zinc/76/92/73/371769273.db2.gz URWNBMHARSDPQU-UHFFFAOYSA-N 1 0 251.370 2.644 50 0 CFAARO CCOC(=O)CCC[NH2+]Cc1ccccc1Cl ZINC000003028191 371771042 /nfs/dbraw/zinc/77/10/42/371771042.db2.gz CSUWGYUYVMLYOS-UHFFFAOYSA-N 1 0 255.745 2.773 50 0 CFAARO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000003310764 371788812 /nfs/dbraw/zinc/78/88/12/371788812.db2.gz DKEMWFYEBAUWLY-IUODEOHRSA-N 1 0 278.371 2.610 50 0 CFAARO CCCC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[C@@H](C)O2 ZINC000004024165 371829075 /nfs/dbraw/zinc/82/90/75/371829075.db2.gz MFSWCCDKUKVJOD-RISCZKNCSA-N 1 0 276.380 2.727 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)C(C)C)c1C ZINC000003396114 371796948 /nfs/dbraw/zinc/79/69/48/371796948.db2.gz PZGUUPIVIMKQBV-HZPDHXFCSA-N 1 0 279.424 2.986 50 0 CFAARO COc1ccc(/C=C/c2cccc[n+]2C)c(OC)c1OC ZINC000004114068 371834027 /nfs/dbraw/zinc/83/40/27/371834027.db2.gz HJKQOKWUMMPBJD-CSKARUKUSA-N 1 0 286.351 2.707 50 0 CFAARO COc1cccc(C(=O)O[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000003901927 371824776 /nfs/dbraw/zinc/82/47/76/371824776.db2.gz GZVRRJMREYBBIV-LALPHHSUSA-N 1 0 277.364 2.581 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005651075 371885232 /nfs/dbraw/zinc/88/52/32/371885232.db2.gz DOOALPDOSJGYOU-JRHYKELJSA-N 1 0 295.467 2.968 50 0 CFAARO C[N@@H+]1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000004342758 371850481 /nfs/dbraw/zinc/85/04/81/371850481.db2.gz TVRFABREAYQAQA-HKUYNNGSSA-N 1 0 295.382 2.709 50 0 CFAARO CCOc1ccc(C[NH2+]Cc2ccco2)cc1OC ZINC000004488577 371859555 /nfs/dbraw/zinc/85/95/55/371859555.db2.gz SJSYPEUZQZYAOY-UHFFFAOYSA-N 1 0 261.321 2.977 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)c1ccccc1Cl ZINC000004535264 371862579 /nfs/dbraw/zinc/86/25/79/371862579.db2.gz RYGUDLZNQATXQT-UHFFFAOYSA-N 1 0 266.772 2.556 50 0 CFAARO Cc1cccc(OCC(=O)O[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000004552894 371864390 /nfs/dbraw/zinc/86/43/90/371864390.db2.gz YRDMVCKPFQCGNE-HNNXBMFYSA-N 1 0 291.391 2.791 50 0 CFAARO COc1ccc(/C=C\c2cc[n+](C)cc2)cc1OC ZINC000004582338 371865438 /nfs/dbraw/zinc/86/54/38/371865438.db2.gz MIWZONGVVDITPC-PLNGDYQASA-N 1 0 256.325 2.699 50 0 CFAARO CN(C(=O)c1cc2c(s1)CCCC2)C1CC[NH+](C)CC1 ZINC000004932979 371877624 /nfs/dbraw/zinc/87/76/24/371877624.db2.gz VFUUXWHPCGLYFR-UHFFFAOYSA-N 1 0 292.448 2.793 50 0 CFAARO OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000004168385 371837908 /nfs/dbraw/zinc/83/79/08/371837908.db2.gz MFOIELLUBQRIOJ-INIZCTEOSA-N 1 0 289.325 2.953 50 0 CFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCC1 ZINC000011933510 371938863 /nfs/dbraw/zinc/93/88/63/371938863.db2.gz OGIQJVDQYWQNBH-QGZVFWFLSA-N 1 0 286.419 2.610 50 0 CFAARO CCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000006721903 371890532 /nfs/dbraw/zinc/89/05/32/371890532.db2.gz YZOFFOOGEUJNQN-HIFRSBDPSA-N 1 0 258.365 2.539 50 0 CFAARO C[C@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000007787552 371895845 /nfs/dbraw/zinc/89/58/45/371895845.db2.gz ZQWUDUFRUVSZNK-IILDEKEXSA-N 1 0 290.451 2.803 50 0 CFAARO O=c1cc(NCC[NH+]2CCCCC2)c2ccccc2o1 ZINC000010313685 371905904 /nfs/dbraw/zinc/90/59/04/371905904.db2.gz MGZBDQYZLDQEGL-UHFFFAOYSA-N 1 0 272.348 2.691 50 0 CFAARO CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338076 371906444 /nfs/dbraw/zinc/90/64/44/371906444.db2.gz XGNJVFPRLJUENP-UHFFFAOYSA-N 1 0 260.381 2.811 50 0 CFAARO Cc1ccc([C@H](CNC(=O)c2ccco2)[NH+](C)C)cc1 ZINC000010328902 371906743 /nfs/dbraw/zinc/90/67/43/371906743.db2.gz ILSPNQIFQCMAIV-AWEZNQCLSA-N 1 0 272.348 2.621 50 0 CFAARO Cc1ccc(NC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000012404755 371960155 /nfs/dbraw/zinc/96/01/55/371960155.db2.gz WQIOOAWQEFWJAJ-JTQLQIEISA-N 1 0 269.186 2.921 50 0 CFAARO C[C@@H]1CCC[C@@H]1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000012414209 371960262 /nfs/dbraw/zinc/96/02/62/371960262.db2.gz KSIMRCJXVNOUTP-JLSDUUJJSA-N 1 0 289.419 2.611 50 0 CFAARO CC(C)[NH+]1CCC(CNC(=O)c2c(F)cccc2F)CC1 ZINC000012442745 371964428 /nfs/dbraw/zinc/96/44/28/371964428.db2.gz WSFVFGHFDYOMCP-UHFFFAOYSA-N 1 0 296.361 2.815 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1F ZINC000012618429 371978018 /nfs/dbraw/zinc/97/80/18/371978018.db2.gz YTDYZSCOKRCAOU-HZPDHXFCSA-N 1 0 295.398 2.968 50 0 CFAARO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000012223530 371948266 /nfs/dbraw/zinc/94/82/66/371948266.db2.gz ATOOTUTXXSKTOR-AWEZNQCLSA-N 1 0 263.385 2.703 50 0 CFAARO C[N@H+](CC(=O)Nc1ccc(Cl)cn1)C1CCCCC1 ZINC000013323283 372022964 /nfs/dbraw/zinc/02/29/64/372022964.db2.gz BDGVTIWBFATAKP-UHFFFAOYSA-N 1 0 281.787 2.938 50 0 CFAARO CC[NH+]1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000013326151 372023206 /nfs/dbraw/zinc/02/32/06/372023206.db2.gz XZHSLDFDOXLGCN-UHFFFAOYSA-N 1 0 298.789 2.622 50 0 CFAARO CCCCN1C(=O)C(C)=C(C)[C@@H]1[NH2+]CCC(C)C ZINC000013943595 372054618 /nfs/dbraw/zinc/05/46/18/372054618.db2.gz YCIJMOKFEPHCPP-CQSZACIVSA-N 1 0 252.402 2.927 50 0 CFAARO [NH3+][C@H](Cc1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000012957935 372004302 /nfs/dbraw/zinc/00/43/02/372004302.db2.gz RRQOQEWVYYPDPI-GFCCVEGCSA-N 1 0 255.296 2.945 50 0 CFAARO C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000012973835 372004799 /nfs/dbraw/zinc/00/47/99/372004799.db2.gz CUNANKWONJPLCB-QMMMGPOBSA-N 1 0 260.259 2.594 50 0 CFAARO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1F ZINC000012981242 372006613 /nfs/dbraw/zinc/00/66/13/372006613.db2.gz BLKQLFBOUCNSTL-UHFFFAOYSA-N 1 0 278.371 2.737 50 0 CFAARO Cc1cc(NC(=O)[C@@H]([NH2+]C(C)C)c2ccccc2)no1 ZINC000012986772 372008071 /nfs/dbraw/zinc/00/80/71/372008071.db2.gz WQHDTFDKPYAJLV-AWEZNQCLSA-N 1 0 273.336 2.661 50 0 CFAARO Cc1ccccc1OCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000016423209 372105421 /nfs/dbraw/zinc/10/54/21/372105421.db2.gz JQLUYHCPBFUGGR-AWEZNQCLSA-N 1 0 292.423 2.609 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000016605036 372113197 /nfs/dbraw/zinc/11/31/97/372113197.db2.gz CZBNALSRZCGQAZ-UHFFFAOYSA-N 1 0 294.826 2.873 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2csc(CC)c2)CC1 ZINC000016604559 372113357 /nfs/dbraw/zinc/11/33/57/372113357.db2.gz YHPVSTHDWFJLPD-UHFFFAOYSA-N 1 0 280.437 2.915 50 0 CFAARO CC(C)(C)OC(=O)N1CCC(c2ncccc2C[NH3+])CC1 ZINC000014628545 372071373 /nfs/dbraw/zinc/07/13/73/372071373.db2.gz MLZXYGQBPCNTJU-UHFFFAOYSA-N 1 0 291.395 2.655 50 0 CFAARO CC(C)c1c[nH]nc1[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000015007271 372076936 /nfs/dbraw/zinc/07/69/36/372076936.db2.gz GRCPYWJBEBTIHH-CYBMUJFWSA-N 1 0 277.412 2.892 50 0 CFAARO CCOc1ccc(Oc2cc(C(N)=[NH2+])ccn2)cc1 ZINC000019427105 372163398 /nfs/dbraw/zinc/16/33/98/372163398.db2.gz HKBLVPQQGIVROS-UHFFFAOYSA-N 1 0 257.293 2.557 50 0 CFAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000019496025 372168428 /nfs/dbraw/zinc/16/84/28/372168428.db2.gz QUPQDKOKZREOSB-DOTOQJQBSA-N 1 0 273.424 2.778 50 0 CFAARO C[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000019537095 372173096 /nfs/dbraw/zinc/17/30/96/372173096.db2.gz LFPCXRUNVBJQGU-UHFFFAOYSA-N 1 0 259.180 2.741 50 0 CFAARO C[N@@H+]1CCCN(Cc2ccc(Br)s2)CC1 ZINC000019537003 372173275 /nfs/dbraw/zinc/17/32/75/372173275.db2.gz FTDILKIUHMBWMA-UHFFFAOYSA-N 1 0 289.242 2.648 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019537045 372174723 /nfs/dbraw/zinc/17/47/23/372174723.db2.gz ULKSOVUNGLZHNE-LLVKDONJSA-N 1 0 253.367 2.523 50 0 CFAARO COc1ccc(OCCCCCC[NH+]2CCOCC2)cc1 ZINC000019607634 372177555 /nfs/dbraw/zinc/17/75/55/372177555.db2.gz IPWOQUSNWZYMGQ-UHFFFAOYSA-N 1 0 293.407 2.967 50 0 CFAARO CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019632960 372177746 /nfs/dbraw/zinc/17/77/46/372177746.db2.gz OCMXSYZDVBVSSV-UHFFFAOYSA-N 1 0 268.360 2.504 50 0 CFAARO CC[NH+](CC)CCN(C)[C@@H]1CCc2ccccc2C1 ZINC000019636253 372177840 /nfs/dbraw/zinc/17/78/40/372177840.db2.gz FQAQNGDPCOZTTN-QGZVFWFLSA-N 1 0 260.425 2.818 50 0 CFAARO CCN(CC[NH+](C)C)Cc1cccc(Br)c1 ZINC000019633151 372178585 /nfs/dbraw/zinc/17/85/85/372178585.db2.gz AEJKWNOKYDISIB-UHFFFAOYSA-N 1 0 285.229 2.833 50 0 CFAARO CCOC(=O)c1ccc2c(c1)c1c3n2C[NH2+]C[C@H]3CCC1 ZINC000019925150 372211464 /nfs/dbraw/zinc/21/14/64/372211464.db2.gz VJECJMIOYCINST-GFCCVEGCSA-N 1 0 284.359 2.799 50 0 CFAARO Clc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000019939047 372212207 /nfs/dbraw/zinc/21/22/07/372212207.db2.gz RLGMFPQJQATVAG-UHFFFAOYSA-N 1 0 294.826 2.637 50 0 CFAARO C[NH+](C)CCCNCc1ccccc1C(F)(F)F ZINC000019958132 372213709 /nfs/dbraw/zinc/21/37/09/372213709.db2.gz AHDQRJYIMJSZSF-UHFFFAOYSA-N 1 0 260.303 2.747 50 0 CFAARO CCN1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019960346 372216352 /nfs/dbraw/zinc/21/63/52/372216352.db2.gz DRVBCMIKNHMZNH-HOCLYGCPSA-N 1 0 276.424 2.787 50 0 CFAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100561 372231311 /nfs/dbraw/zinc/23/13/11/372231311.db2.gz JSICGYGVLKLLSW-CQSZACIVSA-N 1 0 274.408 2.813 50 0 CFAARO CCc1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000020118097 372233171 /nfs/dbraw/zinc/23/31/71/372233171.db2.gz YTLYLLVUGBJAOF-UHFFFAOYSA-N 1 0 263.381 2.740 50 0 CFAARO Cn1c2ccccc2nc1[C@@H]([NH3+])Cc1ccccc1 ZINC000020270850 372237180 /nfs/dbraw/zinc/23/71/80/372237180.db2.gz GUMPLZVLDSGQHF-ZDUSSCGKSA-N 1 0 251.333 2.816 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)CC2CC2)c(C)c1 ZINC000019758114 372183823 /nfs/dbraw/zinc/18/38/23/372183823.db2.gz AKBFESUUCTTYRR-ZBFHGGJFSA-N 1 0 277.408 2.821 50 0 CFAARO Cc1ccc(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000019888938 372203477 /nfs/dbraw/zinc/20/34/77/372203477.db2.gz TZMCGWUPMHQRQA-HUUCEWRRSA-N 1 0 290.407 2.741 50 0 CFAARO COc1ccc(CC[NH2+][C@H](C)c2ccccn2)cc1OC ZINC000019902439 372204250 /nfs/dbraw/zinc/20/42/50/372204250.db2.gz PHYCAAXSTJZPDU-CYBMUJFWSA-N 1 0 286.375 2.992 50 0 CFAARO CC(C)[NH+]1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019889669 372204614 /nfs/dbraw/zinc/20/46/14/372204614.db2.gz NARZHCAAZXBIBS-UHFFFAOYSA-N 1 0 257.381 2.694 50 0 CFAARO COc1ccc(C[N@@H+]2CCCN(C)CC2)c2ccccc12 ZINC000022862170 372245805 /nfs/dbraw/zinc/24/58/05/372245805.db2.gz FCGMBXYNCXMLKG-UHFFFAOYSA-N 1 0 284.403 2.986 50 0 CFAARO CCCCc1nc(CN2CCC[C@H]([NH+]3CCCC3)C2)c[nH]1 ZINC000022913853 372247440 /nfs/dbraw/zinc/24/74/40/372247440.db2.gz BPFOODCSZXZQPY-INIZCTEOSA-N 1 0 290.455 2.813 50 0 CFAARO CCOc1cccc(C[NH2+]C[C@H]2CCCN2CC)c1 ZINC000022936406 372248881 /nfs/dbraw/zinc/24/88/81/372248881.db2.gz YAMQVRDTOKUMFQ-OAHLLOKOSA-N 1 0 262.397 2.659 50 0 CFAARO CC(C)=CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000022928256 372249123 /nfs/dbraw/zinc/24/91/23/372249123.db2.gz OYGFWYABJQNCKB-UHFFFAOYSA-N 1 0 272.392 2.733 50 0 CFAARO COCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023281008 372255986 /nfs/dbraw/zinc/25/59/86/372255986.db2.gz ARFRYVDNEOFHDW-SNVBAGLBSA-N 1 0 261.287 2.872 50 0 CFAARO C[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1 ZINC000023280750 372257025 /nfs/dbraw/zinc/25/70/25/372257025.db2.gz DXICTWGMIKTOGT-MRXNPFEDSA-N 1 0 259.324 2.991 50 0 CFAARO CC(=O)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000023282703 372257979 /nfs/dbraw/zinc/25/79/79/372257979.db2.gz NNAGYCWMHRJSPU-UHFFFAOYSA-N 1 0 286.419 2.877 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000025420254 372300799 /nfs/dbraw/zinc/30/07/99/372300799.db2.gz HNWMEYRANUDLRA-HZPDHXFCSA-N 1 0 272.392 2.762 50 0 CFAARO C[C@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(F)cc1F ZINC000023697490 372264817 /nfs/dbraw/zinc/26/48/17/372264817.db2.gz XYTATABSKNQATN-VIFPVBQESA-N 1 0 270.323 2.530 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c[nH]1)c1ccccc1 ZINC000023735864 372265345 /nfs/dbraw/zinc/26/53/45/372265345.db2.gz ICSSWCWJAHNPMP-CQSZACIVSA-N 1 0 291.782 2.701 50 0 CFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCC1 ZINC000024987417 372285760 /nfs/dbraw/zinc/28/57/60/372285760.db2.gz UYFNNKUEQPWIKU-CQSZACIVSA-N 1 0 276.380 2.723 50 0 CFAARO C[C@H](CNC(=O)C[C@H]1C=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025941177 372310726 /nfs/dbraw/zinc/31/07/26/372310726.db2.gz DBAXTLJCTUOZDF-CVEARBPZSA-N 1 0 298.430 2.906 50 0 CFAARO c1csc(-c2nnc(C3CC[NH2+]CC3)s2)c1 ZINC000026424270 372319412 /nfs/dbraw/zinc/31/94/12/372319412.db2.gz GKPSBMOYYQRFCT-UHFFFAOYSA-N 1 0 251.380 2.734 50 0 CFAARO Cc1ccc2nc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc(=O)n2c1 ZINC000027133530 372335025 /nfs/dbraw/zinc/33/50/25/372335025.db2.gz OUROPEJPFKZDNN-CYBMUJFWSA-N 1 0 287.407 2.869 50 0 CFAARO C[C@H]([N@H+](C)Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000027133165 372335236 /nfs/dbraw/zinc/33/52/36/372335236.db2.gz UBNWPGTZXAGMHN-NSHDSACASA-N 1 0 273.380 2.790 50 0 CFAARO CC1(C)CC(NC(=O)[C@H]2CC=CCC2)CC(C)(C)[NH2+]1 ZINC000029787399 372385859 /nfs/dbraw/zinc/38/58/59/372385859.db2.gz GRSVKYORCSUCPO-LBPRGKRZSA-N 1 0 264.413 2.768 50 0 CFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000030363462 372392470 /nfs/dbraw/zinc/39/24/70/372392470.db2.gz VPWASDQJOOLQAA-UHFFFAOYSA-N 1 0 298.361 2.614 50 0 CFAARO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)o1 ZINC000030668959 372396057 /nfs/dbraw/zinc/39/60/57/372396057.db2.gz JAGUUESMIDFQMG-UHFFFAOYSA-N 1 0 288.347 2.575 50 0 CFAARO C[C@@H](C1CC1)[N@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000031655103 372413443 /nfs/dbraw/zinc/41/34/43/372413443.db2.gz MIQXJYPYPDPHCL-LBPRGKRZSA-N 1 0 290.382 2.705 50 0 CFAARO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1 ZINC000032143148 372432599 /nfs/dbraw/zinc/43/25/99/372432599.db2.gz YJZJJYCAVJUAPY-CJNGLKHVSA-N 1 0 289.350 2.916 50 0 CFAARO Cc1ccnc(NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000032561899 372446500 /nfs/dbraw/zinc/44/65/00/372446500.db2.gz KMKZLZWICMRECJ-CYBMUJFWSA-N 1 0 272.352 2.627 50 0 CFAARO COc1cccc(OC[C@H](O)C[NH2+][C@H](C)CC2(C)CC2)c1 ZINC000032590167 372447237 /nfs/dbraw/zinc/44/72/37/372447237.db2.gz KEDCLDWLRHMASR-ZIAGYGMSSA-N 1 0 293.407 2.603 50 0 CFAARO Brc1cccc(-c2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000034973401 372523446 /nfs/dbraw/zinc/52/34/46/372523446.db2.gz QRVMIXXMRIFZKX-SNVBAGLBSA-N 1 0 294.152 2.924 50 0 CFAARO CC(C)Oc1ccccc1C[NH2+]CCCn1ccnc1 ZINC000034991014 372524829 /nfs/dbraw/zinc/52/48/29/372524829.db2.gz XEYJQPNUQKYJNF-UHFFFAOYSA-N 1 0 273.380 2.850 50 0 CFAARO Nc1ccccc1C[N@H+](C[C@@H]1CCCCO1)C1CC1 ZINC000036231156 372568045 /nfs/dbraw/zinc/56/80/45/372568045.db2.gz ATBXIJRLNBPGIF-HNNXBMFYSA-N 1 0 260.381 2.802 50 0 CFAARO CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000036282986 372569435 /nfs/dbraw/zinc/56/94/35/372569435.db2.gz OOUDZNJYTLYNPV-UHFFFAOYSA-N 1 0 286.297 2.529 50 0 CFAARO CCc1nnc(SCC[NH+]2CCCCC2)n1C1CC1 ZINC000036612078 372582366 /nfs/dbraw/zinc/58/23/66/372582366.db2.gz SOKPVMCUCLCVHF-UHFFFAOYSA-N 1 0 280.441 2.753 50 0 CFAARO CCCNC(=S)NCc1ccccc1C[N@H+](C)C(C)C ZINC000036847584 372602771 /nfs/dbraw/zinc/60/27/71/372602771.db2.gz GMROVGVMSZJPJK-UHFFFAOYSA-N 1 0 293.480 2.901 50 0 CFAARO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000037138526 372653712 /nfs/dbraw/zinc/65/37/12/372653712.db2.gz GEHYWTVIGOYZOQ-NSHDSACASA-N 1 0 264.369 2.558 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000036864654 372605047 /nfs/dbraw/zinc/60/50/47/372605047.db2.gz AWHUDYFJCDNCML-UHFFFAOYSA-N 1 0 268.364 2.840 50 0 CFAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000037862447 372730451 /nfs/dbraw/zinc/73/04/51/372730451.db2.gz ZQKZGTHHPMLETK-INIZCTEOSA-N 1 0 275.323 2.658 50 0 CFAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c[nH]nc1C ZINC000037883053 372731170 /nfs/dbraw/zinc/73/11/70/372731170.db2.gz BOWRCXDMXGMSGB-GFCCVEGCSA-N 1 0 259.353 2.886 50 0 CFAARO CC[C@H](CO)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002115 372758769 /nfs/dbraw/zinc/75/87/69/372758769.db2.gz NVAGHGPADPQEDU-HTQZYQBOSA-N 1 0 278.215 2.932 50 0 CFAARO CCOc1ccc([C@H](C)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000037898765 372734182 /nfs/dbraw/zinc/73/41/82/372734182.db2.gz NUHLVLAZKCXCMI-NSHDSACASA-N 1 0 259.353 2.968 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccccc1F ZINC000040267439 372783021 /nfs/dbraw/zinc/78/30/21/372783021.db2.gz ZECYVONKCZAGLN-DOTOQJQBSA-N 1 0 282.318 2.750 50 0 CFAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000041327759 372830778 /nfs/dbraw/zinc/83/07/78/372830778.db2.gz NDIALYLDEKRGTE-SNVBAGLBSA-N 1 0 257.255 2.888 50 0 CFAARO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccccn2)o1 ZINC000041818108 372864665 /nfs/dbraw/zinc/86/46/65/372864665.db2.gz MGQXQXPRJWGOAX-UHFFFAOYSA-N 1 0 273.336 2.769 50 0 CFAARO CCC[NH+](CCC)C[C@H](O)c1ccc2c(c1)OCO2 ZINC000042244974 372894042 /nfs/dbraw/zinc/89/40/42/372894042.db2.gz CMOYNYATQYRFJW-ZDUSSCGKSA-N 1 0 265.353 2.571 50 0 CFAARO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000042762671 372952317 /nfs/dbraw/zinc/95/23/17/372952317.db2.gz CKOUATHEZWKBJD-UHFFFAOYSA-N 1 0 260.381 2.599 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccccn2)C1 ZINC000047038439 373076621 /nfs/dbraw/zinc/07/66/21/373076621.db2.gz JRGFPHIXLLOLDS-GJZGRUSLSA-N 1 0 289.423 2.570 50 0 CFAARO CNc1nc(C[N@@H+]2CCCC[C@@H]2CCCOC)cs1 ZINC000244735035 189910452 /nfs/dbraw/zinc/91/04/52/189910452.db2.gz NRZSONRIUPYGLU-CYBMUJFWSA-N 1 0 283.441 2.966 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)CC(C)(C)C)Cc1ccccc1 ZINC000048332504 373163720 /nfs/dbraw/zinc/16/37/20/373163720.db2.gz GMLMSUJDQUSFTL-OAHLLOKOSA-N 1 0 276.424 2.712 50 0 CFAARO CCCC[N@@H+]1CCC[C@@H](Cn2cc(CCC)nn2)C1 ZINC000048112455 373145562 /nfs/dbraw/zinc/14/55/62/373145562.db2.gz KPJDIXADNBWCHK-CQSZACIVSA-N 1 0 264.417 2.743 50 0 CFAARO Cc1ccccc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000048926154 373230775 /nfs/dbraw/zinc/23/07/75/373230775.db2.gz PFWVYWRZNIIWRJ-DZGCQCFKSA-N 1 0 274.408 2.845 50 0 CFAARO Cc1ccccc1CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000052555659 373445175 /nfs/dbraw/zinc/44/51/75/373445175.db2.gz DXIOTIZDNBXLFA-SFHVURJKSA-N 1 0 296.414 2.957 50 0 CFAARO Nc1ccccc1NC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000057218460 373584115 /nfs/dbraw/zinc/58/41/15/373584115.db2.gz WSTXBEUFNZYMMG-ZLDLUXBVSA-N 1 0 273.380 2.518 50 0 CFAARO CCOC(=O)N1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000055292073 373545960 /nfs/dbraw/zinc/54/59/60/373545960.db2.gz WPIIKCRHNKHBOD-AWEZNQCLSA-N 1 0 276.380 2.564 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000058015326 373622538 /nfs/dbraw/zinc/62/25/38/373622538.db2.gz RGQRAWRYHIBTIL-QLFBSQMISA-N 1 0 266.429 2.755 50 0 CFAARO O=C(CC1CCCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000058007005 373622766 /nfs/dbraw/zinc/62/27/66/373622766.db2.gz CZCBPQWOTLUECI-UHFFFAOYSA-N 1 0 286.419 2.741 50 0 CFAARO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000058156528 373627428 /nfs/dbraw/zinc/62/74/28/373627428.db2.gz VXOTWVVSNXFWNF-KRWDZBQOSA-N 1 0 288.435 2.856 50 0 CFAARO CCCC[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000058217911 373634014 /nfs/dbraw/zinc/63/40/14/373634014.db2.gz RLJALTXOYJXURP-UHFFFAOYSA-N 1 0 299.418 2.655 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC000058265228 373639394 /nfs/dbraw/zinc/63/93/94/373639394.db2.gz FIXKEFIRKUJKML-LBPRGKRZSA-N 1 0 296.361 2.815 50 0 CFAARO c1cc2n(n1)C[C@@H](C[NH2+]C1(c3ccccc3)CCC1)CN2 ZINC000058298910 373642543 /nfs/dbraw/zinc/64/25/43/373642543.db2.gz HVTSLMNPOHISAJ-CQSZACIVSA-N 1 0 282.391 2.594 50 0 CFAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(Cl)s1 ZINC000058298929 373643340 /nfs/dbraw/zinc/64/33/40/373643340.db2.gz HCZQHDLXEBIYHX-UWVGGRQHSA-N 1 0 296.827 2.991 50 0 CFAARO COc1c(C[NH2+]CCc2c[nH]c3ccccc23)c(C)nn1C ZINC000058392146 373653212 /nfs/dbraw/zinc/65/32/12/373653212.db2.gz MAYXOGNELKJVOH-UHFFFAOYSA-N 1 0 298.390 2.551 50 0 CFAARO COc1ccc(CC[NH2+]Cc2cnc(SC)nc2)cc1 ZINC000062717227 373763816 /nfs/dbraw/zinc/76/38/16/373763816.db2.gz UHPWJNBIFMMLLT-UHFFFAOYSA-N 1 0 289.404 2.539 50 0 CFAARO CSc1ccc(C[N@H+](CCO)CC2CCOCC2)cc1 ZINC000063872369 373817513 /nfs/dbraw/zinc/81/75/13/373817513.db2.gz TXIDZDUDNWVDDK-UHFFFAOYSA-N 1 0 295.448 2.629 50 0 CFAARO [NH3+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000063077125 373784743 /nfs/dbraw/zinc/78/47/43/373784743.db2.gz KQSARYYSOSYZBI-UHFFFAOYSA-N 1 0 288.160 2.639 50 0 CFAARO CSc1ccccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000065536026 373884450 /nfs/dbraw/zinc/88/44/50/373884450.db2.gz NRZBLTOBHALIGJ-UHFFFAOYSA-N 1 0 279.409 2.624 50 0 CFAARO C[C@H]1CCCCN1CC[N@H+](C)C1CCSCC1 ZINC000065529264 373885526 /nfs/dbraw/zinc/88/55/26/373885526.db2.gz ICMMGBKFYNBOGC-ZDUSSCGKSA-N 1 0 256.459 2.688 50 0 CFAARO CC(C)CC(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288707 373855191 /nfs/dbraw/zinc/85/51/91/373855191.db2.gz KTTSXTFVVGLVJD-OAHLLOKOSA-N 1 0 266.429 2.900 50 0 CFAARO Cc1oc(C(C)C)nc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000065293517 373855426 /nfs/dbraw/zinc/85/54/26/373855426.db2.gz LNRAPAMHZWPHND-GFCCVEGCSA-N 1 0 293.411 2.568 50 0 CFAARO OC[C@H](C[NH2+]C1Cc2ccccc2C1)Cc1cccs1 ZINC000065370068 373859605 /nfs/dbraw/zinc/85/96/05/373859605.db2.gz SGAGCSXJZQKVQU-ZDUSSCGKSA-N 1 0 287.428 2.656 50 0 CFAARO OC[C@@H](C[NH2+]C1Cc2ccccc2C1)Cc1cccs1 ZINC000065370067 373859671 /nfs/dbraw/zinc/85/96/71/373859671.db2.gz SGAGCSXJZQKVQU-CYBMUJFWSA-N 1 0 287.428 2.656 50 0 CFAARO O=C(NCCC1=CCC[N@@H+](CCCF)C1)c1cccs1 ZINC000065382328 373861825 /nfs/dbraw/zinc/86/18/25/373861825.db2.gz PARBZFVYWWDNKW-UHFFFAOYSA-N 1 0 296.411 2.860 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCc1nnc(Cc2ccccc2)[nH]1 ZINC000065385672 373863270 /nfs/dbraw/zinc/86/32/70/373863270.db2.gz CSTGLBZFMICJDW-HNNXBMFYSA-N 1 0 284.407 2.812 50 0 CFAARO c1sc(-c2ccncc2)nc1CC[NH2+][C@@H]1CCSC1 ZINC000065396429 373866086 /nfs/dbraw/zinc/86/60/86/373866086.db2.gz UEIDAQNIRDEMJB-GFCCVEGCSA-N 1 0 291.445 2.843 50 0 CFAARO OCc1cc(-c2ccc(C[NH+]3CCCC3)cn2)ccc1F ZINC000065419988 373868301 /nfs/dbraw/zinc/86/83/01/373868301.db2.gz LBLACAAIBONFSI-UHFFFAOYSA-N 1 0 286.350 2.976 50 0 CFAARO Cc1nc(-c2ccc(C)c(O)c2)n(-c2cc[nH+]c(C)c2)n1 ZINC000065418695 373869351 /nfs/dbraw/zinc/86/93/51/373869351.db2.gz NRENWHCHJGVBGX-UHFFFAOYSA-N 1 0 280.331 2.960 50 0 CFAARO O=C(CC[N@H+]1CC=CCC1)N1CCCc2ccccc21 ZINC000065432712 373870590 /nfs/dbraw/zinc/87/05/90/373870590.db2.gz KUERJOKZFOJJPN-UHFFFAOYSA-N 1 0 270.376 2.618 50 0 CFAARO CCc1ccccc1NC(=O)CC[NH2+][C@H]1CCSC1 ZINC000065432022 373870817 /nfs/dbraw/zinc/87/08/17/373870817.db2.gz HDHCDXHOVBAKCD-ZDUSSCGKSA-N 1 0 278.421 2.673 50 0 CFAARO CCCc1nc(C)cc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000065460660 373874883 /nfs/dbraw/zinc/87/48/83/373874883.db2.gz VEMQHNXTQIOLBR-UHFFFAOYSA-N 1 0 288.439 2.802 50 0 CFAARO Cc1ccoc1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000067697029 373995338 /nfs/dbraw/zinc/99/53/38/373995338.db2.gz UNRSXLKILRRVAI-INIZCTEOSA-N 1 0 298.386 2.807 50 0 CFAARO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cn1 ZINC000067757084 373998434 /nfs/dbraw/zinc/99/84/34/373998434.db2.gz FVGDFAQHWSCMIT-INIZCTEOSA-N 1 0 282.391 2.880 50 0 CFAARO Cc1ccccc1SCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000067757959 373998473 /nfs/dbraw/zinc/99/84/73/373998473.db2.gz VQDMTQHJCPQWIN-AWEZNQCLSA-N 1 0 292.448 2.545 50 0 CFAARO Cc1ccc(-c2nccn2CC[C@@H]2CCC[N@H+]2C)o1 ZINC000067785949 374001706 /nfs/dbraw/zinc/00/17/06/374001706.db2.gz DSYONZZXIQDFQU-ZDUSSCGKSA-N 1 0 259.353 2.936 50 0 CFAARO CC[N@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCOC1 ZINC000067787153 374002768 /nfs/dbraw/zinc/00/27/68/374002768.db2.gz GNERJNYQJIQYDE-LBPRGKRZSA-N 1 0 291.370 2.603 50 0 CFAARO Cc1cccn2c(C[NH2+]C3CSCCSC3)cnc12 ZINC000067805404 374005036 /nfs/dbraw/zinc/00/50/36/374005036.db2.gz UYUXAQQVWKCXHA-UHFFFAOYSA-N 1 0 293.461 2.581 50 0 CFAARO Cc1ccccc1-c1nccn1CCC[NH+]1CCOCC1 ZINC000067847507 374009443 /nfs/dbraw/zinc/00/94/43/374009443.db2.gz YNMFSJWJOJHLFU-UHFFFAOYSA-N 1 0 285.391 2.581 50 0 CFAARO CC(C)[C@H]([NH2+]C1CSCCSC1)c1nccn1C ZINC000067894427 374012808 /nfs/dbraw/zinc/01/28/08/374012808.db2.gz PYQOBTOEEFPWDT-LBPRGKRZSA-N 1 0 285.482 2.555 50 0 CFAARO CC[C@H]1c2[nH]cnc2CCN1Cc1cnn(C)c1C1CC1 ZINC000067974333 374017626 /nfs/dbraw/zinc/01/76/26/374017626.db2.gz RUGHQWWZCYEJEI-AWEZNQCLSA-N 1 0 285.395 2.530 50 0 CFAARO COc1ccc(-c2ccc([C@@H](C)N3CCOCC3)cc2)nn1 ZINC000067458622 373978705 /nfs/dbraw/zinc/97/87/05/373978705.db2.gz UEBWTIMUTHDRFR-CYBMUJFWSA-N 1 0 299.374 2.545 50 0 CFAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000067713146 373993631 /nfs/dbraw/zinc/99/36/31/373993631.db2.gz NLGMSKKBCXYWPC-LBPRGKRZSA-N 1 0 289.354 2.684 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)Cn2cc(C)cn2)cc1F ZINC000069599052 374078587 /nfs/dbraw/zinc/07/85/87/374078587.db2.gz XTTXWEZWEIMCRN-GFCCVEGCSA-N 1 0 277.343 2.518 50 0 CFAARO Cc1cccc2cc(C(=O)NCCC[NH+]3CCCC3)oc21 ZINC000069326688 374053572 /nfs/dbraw/zinc/05/35/72/374053572.db2.gz RCWBEPWKIIIJPU-UHFFFAOYSA-N 1 0 286.375 2.957 50 0 CFAARO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069416220 374059779 /nfs/dbraw/zinc/05/97/79/374059779.db2.gz OFZKNLACSBIPCF-ZBFHGGJFSA-N 1 0 274.408 2.637 50 0 CFAARO COc1ccccc1/C=C/C[NH2+][C@@H](C)Cn1cccn1 ZINC000069393587 374059860 /nfs/dbraw/zinc/05/98/60/374059860.db2.gz ZUEGWKXQBMWOOI-GPAKFWEMSA-N 1 0 271.364 2.583 50 0 CFAARO CC[NH+](CC)[C@H](C(=O)NCC(F)(F)F)c1ccccc1 ZINC000069420284 374061866 /nfs/dbraw/zinc/06/18/66/374061866.db2.gz OASRIDJAGWZFFM-LBPRGKRZSA-N 1 0 288.313 2.748 50 0 CFAARO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1CCOC1 ZINC000069438215 374064148 /nfs/dbraw/zinc/06/41/48/374064148.db2.gz HDSOTXUEMRTLKH-OAHLLOKOSA-N 1 0 285.391 2.731 50 0 CFAARO NC(=[NH2+])NCCSCc1cccc2ccccc21 ZINC000069656142 374082516 /nfs/dbraw/zinc/08/25/16/374082516.db2.gz SODOBNUAMYAJRY-UHFFFAOYSA-N 1 0 259.378 2.556 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC000069518022 374070593 /nfs/dbraw/zinc/07/05/93/374070593.db2.gz ZHIJIYHYIJUCJB-XHSDSOJGSA-N 1 0 276.424 2.818 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000069530538 374072910 /nfs/dbraw/zinc/07/29/10/374072910.db2.gz XTABLQRJHUKUMH-AWEZNQCLSA-N 1 0 292.398 2.874 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2csc(C)n2)c1 ZINC000069560280 374074465 /nfs/dbraw/zinc/07/44/65/374074465.db2.gz FUHAIOKKQOZGKK-GHMZBOCLSA-N 1 0 264.398 2.696 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccs1 ZINC000069652076 374083076 /nfs/dbraw/zinc/08/30/76/374083076.db2.gz XEOLJAKNIMBNBW-STQMWFEESA-N 1 0 278.421 2.837 50 0 CFAARO CCC[N@@H+]1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000069900680 374109924 /nfs/dbraw/zinc/10/99/24/374109924.db2.gz HIHIMJSBYQLJEY-UHFFFAOYSA-N 1 0 299.418 2.655 50 0 CFAARO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000069668059 374084668 /nfs/dbraw/zinc/08/46/68/374084668.db2.gz UTUTYAYTMYOUSK-MSOLQXFVSA-N 1 0 299.418 2.907 50 0 CFAARO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccs3)C2)nn1 ZINC000069895133 374107775 /nfs/dbraw/zinc/10/77/75/374107775.db2.gz ZHCZQAXYEDOTHZ-CYBMUJFWSA-N 1 0 288.420 2.605 50 0 CFAARO [NH3+][C@@H]1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1 ZINC000070458952 374181109 /nfs/dbraw/zinc/18/11/09/374181109.db2.gz HDWMSUPKAQVECL-LLVKDONJSA-N 1 0 288.782 2.725 50 0 CFAARO C[C@@H]1CCCN(C(=O)CCCc2ccccc2)[C@H]1C[NH3+] ZINC000070177044 374141242 /nfs/dbraw/zinc/14/12/42/374141242.db2.gz BEMNBKXDZKBGIR-ZBFHGGJFSA-N 1 0 274.408 2.595 50 0 CFAARO CC(C)Oc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000070252217 374154767 /nfs/dbraw/zinc/15/47/67/374154767.db2.gz UFXUNXGIOZBJBW-HNNXBMFYSA-N 1 0 288.391 2.802 50 0 CFAARO CC[C@H](COC)[NH2+]Cc1ccc(Br)cc1 ZINC000070656235 374200543 /nfs/dbraw/zinc/20/05/43/374200543.db2.gz QXXVVIIORXSBES-GFCCVEGCSA-N 1 0 272.186 2.964 50 0 CFAARO CCC[C@@](C)(CO)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000072289929 374242220 /nfs/dbraw/zinc/24/22/20/374242220.db2.gz UXKDFXDCDXAEPK-INIZCTEOSA-N 1 0 291.370 2.652 50 0 CFAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@H]1CCCO1 ZINC000075572425 374493291 /nfs/dbraw/zinc/49/32/91/374493291.db2.gz YOYVFBKNEVHVMR-DZGCQCFKSA-N 1 0 276.380 2.562 50 0 CFAARO O=C(NCc1ccsc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000075584011 374493810 /nfs/dbraw/zinc/49/38/10/374493810.db2.gz BOAWHNFUANATQF-CQSZACIVSA-N 1 0 293.436 2.518 50 0 CFAARO c1ccc2c(c1)[nH]c1c2C[N@H+](C[C@H]2CCOC2)CC1 ZINC000077287924 374561048 /nfs/dbraw/zinc/56/10/48/374561048.db2.gz SDDCQBREURKQEK-GFCCVEGCSA-N 1 0 256.349 2.563 50 0 CFAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC000079020793 374584118 /nfs/dbraw/zinc/58/41/18/374584118.db2.gz LUCDZCLMWZIEDF-NEPJUHHUSA-N 1 0 253.415 2.574 50 0 CFAARO CC[N@@H+](Cc1nc2c(cccc2F)[nH]1)C[C@H]1CCOC1 ZINC000079354280 374605862 /nfs/dbraw/zinc/60/58/62/374605862.db2.gz CWMPJKRDRBFFGQ-LLVKDONJSA-N 1 0 277.343 2.560 50 0 CFAARO Fc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080959207 374677085 /nfs/dbraw/zinc/67/70/85/374677085.db2.gz YFZXRQCAYFYJIV-ZDUSSCGKSA-N 1 0 259.328 2.928 50 0 CFAARO Cc1ccc(Cn2c[n+](Cc3ccccc3)cn2)cc1 ZINC000252481372 189975441 /nfs/dbraw/zinc/97/54/41/189975441.db2.gz CKCJSYMUQYERFV-UHFFFAOYSA-N 1 0 264.352 2.576 50 0 CFAARO COc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000083953154 374759672 /nfs/dbraw/zinc/75/96/72/374759672.db2.gz FRHJZMAVZXGLFG-OAHLLOKOSA-N 1 0 292.398 2.752 50 0 CFAARO CS[C@H]1CCCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000083990531 374761346 /nfs/dbraw/zinc/76/13/46/374761346.db2.gz ZCQKGYIWJACGAT-AWEZNQCLSA-N 1 0 278.421 2.503 50 0 CFAARO Cc1ncc(C[NH2+][C@H]2CCC[C@]2(C)CO)n1-c1ccccc1 ZINC000084048220 374761555 /nfs/dbraw/zinc/76/15/55/374761555.db2.gz MHDUTSXATREFOA-ZWKOTPCHSA-N 1 0 299.418 2.821 50 0 CFAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CCCC[C@@H]([NH3+])C1 ZINC000082106086 374725989 /nfs/dbraw/zinc/72/59/89/374725989.db2.gz MFLDYPRNIQCDQA-CQSZACIVSA-N 1 0 299.418 2.749 50 0 CFAARO Cc1occc1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000082087593 374727020 /nfs/dbraw/zinc/72/70/20/374727020.db2.gz JJMCUKGSYWQONU-UHFFFAOYSA-N 1 0 299.374 2.644 50 0 CFAARO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000084199791 374768173 /nfs/dbraw/zinc/76/81/73/374768173.db2.gz UVYCPHYYJKMEAN-JTQLQIEISA-N 1 0 296.333 2.880 50 0 CFAARO C[C@@H]1CCC[C@@H](CCN2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000084689599 374787938 /nfs/dbraw/zinc/78/79/38/374787938.db2.gz VZXLVQYOJMTAHK-SQNIBIBYSA-N 1 0 294.483 2.857 50 0 CFAARO CC(C)N1CC[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)C1=O ZINC000089728477 374943264 /nfs/dbraw/zinc/94/32/64/374943264.db2.gz OEEBVTCXUFMGFR-NWDGAFQWSA-N 1 0 272.458 2.506 50 0 CFAARO CC(C)Cc1csc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000089856532 374960923 /nfs/dbraw/zinc/96/09/23/374960923.db2.gz LXFMPHCEZLNORT-OLZOCXBDSA-N 1 0 266.410 2.877 50 0 CFAARO Cc1cccc2nc(C[N@@H+](C)[C@@H]3CCSC3)cn21 ZINC000089936543 374971293 /nfs/dbraw/zinc/97/12/93/374971293.db2.gz AYGUSWBJPQWXDL-CYBMUJFWSA-N 1 0 261.394 2.580 50 0 CFAARO C[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000089905445 374967310 /nfs/dbraw/zinc/96/73/10/374967310.db2.gz ZDZQKODNYGCVRE-LLVKDONJSA-N 1 0 288.313 2.748 50 0 CFAARO C[C@H]([NH2+]CCn1cnnc1C1CC1)c1ccccc1F ZINC000090033596 374986799 /nfs/dbraw/zinc/98/67/99/374986799.db2.gz VHKRJDVQPNURTN-NSHDSACASA-N 1 0 274.343 2.645 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)[C@H]2CCSC2)c(F)c1 ZINC000089937531 374971799 /nfs/dbraw/zinc/97/17/99/374971799.db2.gz LKYMGJVJQOXPKU-LBPRGKRZSA-N 1 0 283.368 2.550 50 0 CFAARO C[C@@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1nccs1 ZINC000093400313 375229211 /nfs/dbraw/zinc/22/92/11/375229211.db2.gz OFGLMYKHCSDKDX-SNVBAGLBSA-N 1 0 292.360 2.601 50 0 CFAARO CC[NH+]1C[C@H](C)N(Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000253427215 189992290 /nfs/dbraw/zinc/99/22/90/189992290.db2.gz DOWHGKVTUDNDCO-KBPBESRZSA-N 1 0 289.423 2.560 50 0 CFAARO CC(C)[N@@H+](Cc1cc(C(N)=O)cs1)C[C@H]1C[C@H]1C ZINC000093661800 375291763 /nfs/dbraw/zinc/29/17/63/375291763.db2.gz XSTWVHVXNNCXSE-GHMZBOCLSA-N 1 0 266.410 2.713 50 0 CFAARO Cn1cc(C[C@H]2CC[N@H+](Cc3c(F)cccc3F)C2)cn1 ZINC000093870591 375326308 /nfs/dbraw/zinc/32/63/08/375326308.db2.gz JTUQRCLYYWGLBL-GFCCVEGCSA-N 1 0 291.345 2.763 50 0 CFAARO NC(=O)C[C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000093808612 375313216 /nfs/dbraw/zinc/31/32/16/375313216.db2.gz WTRZBDRNCZPEEV-GFCCVEGCSA-N 1 0 288.416 2.989 50 0 CFAARO CC[C@H]1CC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000095468614 375459282 /nfs/dbraw/zinc/45/92/82/375459282.db2.gz AXUNLKZTXVJGJF-DOTOQJQBSA-N 1 0 273.424 2.778 50 0 CFAARO Cc1ccc(C[NH2+]C[C@H](C)Oc2ccccn2)cc1 ZINC000095472024 375459931 /nfs/dbraw/zinc/45/99/31/375459931.db2.gz AWCSJSJAPIQYCG-AWEZNQCLSA-N 1 0 256.349 2.947 50 0 CFAARO COc1cccc2c1OC[C@@H](Cc1c[nH+]c(N)c(C)c1)C2 ZINC000095502280 375461803 /nfs/dbraw/zinc/46/18/03/375461803.db2.gz BWHYSUWYBWGASB-ZDUSSCGKSA-N 1 0 284.359 2.775 50 0 CFAARO c1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CCOC4)C3)o2)n[nH]1 ZINC000095358395 375420053 /nfs/dbraw/zinc/42/00/53/375420053.db2.gz KMNZWPOGQDHRSF-INIZCTEOSA-N 1 0 287.363 2.672 50 0 CFAARO [NH3+][C@H]1CN(c2ncc(Cl)cc2Cl)C[C@@H]1C1CC1 ZINC000095361142 375420086 /nfs/dbraw/zinc/42/00/86/375420086.db2.gz ZWWKLVFMVVRLCS-KOLCDFICSA-N 1 0 272.179 2.562 50 0 CFAARO Cc1cnc(NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1 ZINC000095359328 375420158 /nfs/dbraw/zinc/42/01/58/375420158.db2.gz XFWLXDBRTZLKMV-MRXNPFEDSA-N 1 0 282.391 2.686 50 0 CFAARO CCCc1nnc(NCC(C)(C)[NH+]2CCCCC2)o1 ZINC000095380035 375425522 /nfs/dbraw/zinc/42/55/22/375425522.db2.gz FROJBGCMJMBUSC-UHFFFAOYSA-N 1 0 266.389 2.699 50 0 CFAARO CN(C(=O)C[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000095385674 375427487 /nfs/dbraw/zinc/42/74/87/375427487.db2.gz GPPAZFOBHJVZRO-HNNXBMFYSA-N 1 0 272.323 2.879 50 0 CFAARO OC[C@@]12C[N@@H+](C3CCCCC3)C[C@@H]1c1ccccc1OC2 ZINC000095391134 375428509 /nfs/dbraw/zinc/42/85/09/375428509.db2.gz RNTYTYOHXTWUGW-SJLPKXTDSA-N 1 0 287.403 2.790 50 0 CFAARO COCCOCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000095408943 375434644 /nfs/dbraw/zinc/43/46/44/375434644.db2.gz MTBUXOVBOXOPGN-UHFFFAOYSA-N 1 0 273.376 2.935 50 0 CFAARO COCC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000095419196 375438774 /nfs/dbraw/zinc/43/87/74/375438774.db2.gz LTHFHZYUQAOBLO-QMMMGPOBSA-N 1 0 276.149 2.885 50 0 CFAARO c1ccc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)nc1 ZINC000095425783 375442324 /nfs/dbraw/zinc/44/23/24/375442324.db2.gz KLPPSXGILJDLRS-BRWVUGGUSA-N 1 0 250.345 2.757 50 0 CFAARO CCOC[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000095431921 375446468 /nfs/dbraw/zinc/44/64/68/375446468.db2.gz YEMLGXAGSOFKJY-CQSZACIVSA-N 1 0 283.799 2.706 50 0 CFAARO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000095431719 375447017 /nfs/dbraw/zinc/44/70/17/375447017.db2.gz DGDKTXVRBWJNGX-OAHLLOKOSA-N 1 0 296.418 2.792 50 0 CFAARO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@H](C)[S@](C)=O ZINC000095441233 375450852 /nfs/dbraw/zinc/45/08/52/375450852.db2.gz QBMGRLKZNANFFQ-APPDUMDISA-N 1 0 273.829 2.813 50 0 CFAARO CC(C)[NH+](CCS[C@@H]1C[C@@H](C)OC1=O)C(C)C ZINC000095446293 375452070 /nfs/dbraw/zinc/45/20/70/375452070.db2.gz RQMFWISIPBDQLD-VXGBXAGGSA-N 1 0 259.415 2.542 50 0 CFAARO Cc1cc(-n2cnnc2)ncc1-c1ccccc1C[NH+](C)C ZINC000096163352 375472371 /nfs/dbraw/zinc/47/23/71/375472371.db2.gz ZQXDQHMJGCXCLN-UHFFFAOYSA-N 1 0 293.374 2.699 50 0 CFAARO C[C@@H](OC(=O)c1ccn2c[nH+]cc2c1)c1nccs1 ZINC000095455093 375454764 /nfs/dbraw/zinc/45/47/64/375454764.db2.gz PVUMDKPHTQADLG-SECBINFHSA-N 1 0 273.317 2.709 50 0 CFAARO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1OC ZINC000095455548 375455273 /nfs/dbraw/zinc/45/52/73/375455273.db2.gz TVOJGFLZPQZDPO-TZMCWYRMSA-N 1 0 279.380 2.751 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCCOC2CCOCC2)C[C@@H]1C ZINC000097146661 375532148 /nfs/dbraw/zinc/53/21/48/375532148.db2.gz FXYPGOHNCSWAJC-QLFBSQMISA-N 1 0 269.429 2.986 50 0 CFAARO CCn1cc(C2CC[NH+](CCOC(C)C)CC2)cn1 ZINC000097203053 375538145 /nfs/dbraw/zinc/53/81/45/375538145.db2.gz MKNOZECVRKKJCA-UHFFFAOYSA-N 1 0 265.401 2.507 50 0 CFAARO COc1ccc(CC[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000097203111 375538454 /nfs/dbraw/zinc/53/84/54/375538454.db2.gz CJFSGRPGEBADEN-UHFFFAOYSA-N 1 0 285.391 2.840 50 0 CFAARO CCNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000096435675 375486343 /nfs/dbraw/zinc/48/63/43/375486343.db2.gz FJFHTMQXPUZWKL-MRXNPFEDSA-N 1 0 289.423 2.560 50 0 CFAARO CC/C=C(/C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000096443940 375487371 /nfs/dbraw/zinc/48/73/71/375487371.db2.gz YCGMPHXTWRYMTJ-KERCULKWSA-N 1 0 264.413 2.816 50 0 CFAARO C[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000097229533 375542680 /nfs/dbraw/zinc/54/26/80/375542680.db2.gz DQHSJIVPVKQOSD-QWHCGFSZSA-N 1 0 270.417 2.879 50 0 CFAARO CC(=O)N1CCC[N@@H+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000097084265 375510295 /nfs/dbraw/zinc/51/02/95/375510295.db2.gz GWLCWQLFGXOJCA-AWEZNQCLSA-N 1 0 292.398 2.701 50 0 CFAARO CNC(=O)[C@@H]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097085953 375513887 /nfs/dbraw/zinc/51/38/87/375513887.db2.gz WTJJLWFOCOXCOK-CQSZACIVSA-N 1 0 297.402 2.814 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000097099064 375516663 /nfs/dbraw/zinc/51/66/63/375516663.db2.gz SJUGKKUPKSZGGH-QLFBSQMISA-N 1 0 264.413 2.579 50 0 CFAARO C[C@H](C[N@@H+]1CCCN(C(N)=O)CC1)c1cccc(Cl)c1 ZINC000097103885 375518796 /nfs/dbraw/zinc/51/87/96/375518796.db2.gz SXYLEQIMIVCODF-GFCCVEGCSA-N 1 0 295.814 2.530 50 0 CFAARO CC(C)(C)CC[NH2+][C@H]1CCCN(c2cccnc2)C1=O ZINC000097103997 375519471 /nfs/dbraw/zinc/51/94/71/375519471.db2.gz GBDLJJNFCFJJCY-AWEZNQCLSA-N 1 0 275.396 2.603 50 0 CFAARO Fc1ccc(O[C@H]2CC[N@H+](Cc3cncs3)C2)cc1 ZINC000097108646 375521182 /nfs/dbraw/zinc/52/11/82/375521182.db2.gz DXWFZXNULWHQHK-ZDUSSCGKSA-N 1 0 278.352 2.936 50 0 CFAARO [NH3+]CCCN(Cc1cncs1)c1cccc(F)c1 ZINC000097108654 375521657 /nfs/dbraw/zinc/52/16/57/375521657.db2.gz USFUZLUMYNLRHJ-UHFFFAOYSA-N 1 0 265.357 2.638 50 0 CFAARO CCn1cc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cn1 ZINC000097108639 375521892 /nfs/dbraw/zinc/52/18/92/375521892.db2.gz HTKBMWOAWHRBBI-INIZCTEOSA-N 1 0 289.354 2.695 50 0 CFAARO CC(=O)Nc1ccccc1C[N@H+](C)CCc1ccncc1 ZINC000097113792 375524182 /nfs/dbraw/zinc/52/41/82/375524182.db2.gz AWNGNZKNTKHODA-UHFFFAOYSA-N 1 0 283.375 2.715 50 0 CFAARO CC(=O)Nc1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000097113587 375524347 /nfs/dbraw/zinc/52/43/47/375524347.db2.gz QOHVLPHQALCLGI-UHFFFAOYSA-N 1 0 269.348 2.672 50 0 CFAARO Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)o1 ZINC000097139206 375527104 /nfs/dbraw/zinc/52/71/04/375527104.db2.gz ZUVURSWSSPQVGO-AWEZNQCLSA-N 1 0 273.380 2.776 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000097140105 375528470 /nfs/dbraw/zinc/52/84/70/375528470.db2.gz DTENZIZQEMKXPA-SFHVURJKSA-N 1 0 298.434 2.953 50 0 CFAARO CN1C[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CCC1=O ZINC000098020501 375591559 /nfs/dbraw/zinc/59/15/59/375591559.db2.gz MAWWLGVOGWYEHA-DGCLKSJQSA-N 1 0 294.395 2.573 50 0 CFAARO CC(C)[NH+]1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000097334209 375550260 /nfs/dbraw/zinc/55/02/60/375550260.db2.gz HBIXEWWRRNVRLI-INIZCTEOSA-N 1 0 286.419 2.659 50 0 CFAARO Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)nc1 ZINC000097376957 375554330 /nfs/dbraw/zinc/55/43/30/375554330.db2.gz BAOYKEQOQKOULW-OAHLLOKOSA-N 1 0 284.407 2.578 50 0 CFAARO CCC(=O)O[C@@]1(c2ccc(C)cc2)CC[N@H+](C)[C@H]1C ZINC000255999723 190000410 /nfs/dbraw/zinc/00/04/10/190000410.db2.gz ROOQMFGONPGNRH-BBRMVZONSA-N 1 0 261.365 2.868 50 0 CFAARO CC(=O)NCCC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000097379788 375556800 /nfs/dbraw/zinc/55/68/00/375556800.db2.gz JKRTXZYKJHTJOY-HOTGVXAUSA-N 1 0 274.408 2.685 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1ncc[nH]1 ZINC000097379552 375557194 /nfs/dbraw/zinc/55/71/94/375557194.db2.gz POOIUZWSRKXHJD-CYBMUJFWSA-N 1 0 271.364 2.628 50 0 CFAARO OCC[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000097730251 375582707 /nfs/dbraw/zinc/58/27/07/375582707.db2.gz RIHMXPXUADLEKO-OAHLLOKOSA-N 1 0 256.349 2.582 50 0 CFAARO Cc1ccc(CN2CC([NH+]3CCCCC3)C2)s1 ZINC000097772702 375584272 /nfs/dbraw/zinc/58/42/72/375584272.db2.gz YCIDJMIZFIVYTP-UHFFFAOYSA-N 1 0 250.411 2.727 50 0 CFAARO CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@H]1[NH2+]CCN(C)C ZINC000101848673 375656704 /nfs/dbraw/zinc/65/67/04/375656704.db2.gz XFNDXCULCBDGRM-BZUAXINKSA-N 1 0 298.471 2.676 50 0 CFAARO COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1C ZINC000101957642 375661268 /nfs/dbraw/zinc/66/12/68/375661268.db2.gz XEYWGXFTOWWMEW-HALDLXJZSA-N 1 0 275.392 2.515 50 0 CFAARO CCc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)o1 ZINC000102856124 375696053 /nfs/dbraw/zinc/69/60/53/375696053.db2.gz KADGPOLDMGECIP-VIKVFOODSA-N 1 0 262.397 2.614 50 0 CFAARO O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000108394275 375816053 /nfs/dbraw/zinc/81/60/53/375816053.db2.gz UAESFQWKKPKMDN-OAGGEKHMSA-N 1 0 276.424 2.509 50 0 CFAARO c1cnn(CC2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000105886166 375792049 /nfs/dbraw/zinc/79/20/49/375792049.db2.gz YTSGPHBTKTWZAP-UHFFFAOYSA-N 1 0 285.391 2.674 50 0 CFAARO Cc1c(O)ccc2c(C[NH2+]C3CCCC3)cc(=O)oc12 ZINC000018937597 542133870 /nfs/dbraw/zinc/13/38/70/542133870.db2.gz CZGJYJRJJJGDBF-UHFFFAOYSA-N 1 0 273.332 2.839 50 0 CFAARO CN(c1ccccc1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000126217992 377215874 /nfs/dbraw/zinc/21/58/74/377215874.db2.gz DDJIPBTYSQOPHA-KRWDZBQOSA-N 1 0 274.408 2.766 50 0 CFAARO c1cn(CC[NH+]2CCC(COc3ccccc3)CC2)cn1 ZINC000130741541 377603582 /nfs/dbraw/zinc/60/35/82/377603582.db2.gz LJXIUXYSDNUIDQ-UHFFFAOYSA-N 1 0 285.391 2.674 50 0 CFAARO C[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CN1C1CC1 ZINC000131609800 377736302 /nfs/dbraw/zinc/73/63/02/377736302.db2.gz JXPMWCUBTGGWIU-LSDHHAIUSA-N 1 0 280.456 2.941 50 0 CFAARO c1ccc(N2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000132241916 377819175 /nfs/dbraw/zinc/81/91/75/377819175.db2.gz PHXXXZYYZOWAOG-UHFFFAOYSA-N 1 0 287.451 2.685 50 0 CFAARO Cc1ncccc1C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000154701906 378589380 /nfs/dbraw/zinc/58/93/80/378589380.db2.gz CYAXFWDAPFRVOA-OXJNMPFZSA-N 1 0 288.416 2.599 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3ccccc3nc2C)C1 ZINC000159032047 378682466 /nfs/dbraw/zinc/68/24/66/378682466.db2.gz KUAKUGBODBFJKH-CQSZACIVSA-N 1 0 297.402 2.615 50 0 CFAARO Cc1ncsc1CN(C)c1nc2ccccc2[nH]1 ZINC000170591109 379120957 /nfs/dbraw/zinc/12/09/57/379120957.db2.gz UJGWJWFYZRCMCT-UHFFFAOYSA-N 1 0 258.350 2.964 50 0 CFAARO Cc1cc(NC[C@H](c2ccccc2)N2CCOCC2)cc[nH+]1 ZINC000170597216 379123756 /nfs/dbraw/zinc/12/37/56/379123756.db2.gz VAYZOPLRLGIRFG-GOSISDBHSA-N 1 0 297.402 2.875 50 0 CFAARO CC[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COC(C)C ZINC000170599644 379124515 /nfs/dbraw/zinc/12/45/15/379124515.db2.gz NBHFSBMZWIEKSW-JSGCOSHPSA-N 1 0 283.437 2.843 50 0 CFAARO CC(C)[C@@H](C(=O)NCc1cccc(O)c1)[NH+]1CCCCC1 ZINC000172204638 379516191 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COCc1cccc(COC(=O)C[C@@H](C[NH3+])CC(C)C)c1 ZINC000408525575 380941760 /nfs/dbraw/zinc/94/17/60/380941760.db2.gz DGQKBFKMSGIFQA-INIZCTEOSA-N 1 0 293.407 2.887 50 0 CFAARO CC(C)COCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000369513039 381277978 /nfs/dbraw/zinc/27/79/78/381277978.db2.gz YSAKHPGHTQMIIM-MRXNPFEDSA-N 1 0 268.445 2.609 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1Cl ZINC000298502286 381653158 /nfs/dbraw/zinc/65/31/58/381653158.db2.gz OORUSLNETMVRCS-KGLIPLIRSA-N 1 0 278.783 2.697 50 0 CFAARO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000186789860 382014909 /nfs/dbraw/zinc/01/49/09/382014909.db2.gz FXSGUWYUWGYXDI-NWANDNLSSA-N 1 0 263.381 2.519 50 0 CFAARO O=C(Nc1ccc2ccccc2c1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299789546 382048923 /nfs/dbraw/zinc/04/89/23/382048923.db2.gz ZFRHICIWZZTEMA-GOEBONIOSA-N 1 0 281.359 2.665 50 0 CFAARO C[N@H+](Cc1ccc(C2CCCC2)cc1)[C@@H]1COC[C@H]1O ZINC000343939341 382029973 /nfs/dbraw/zinc/02/99/73/382029973.db2.gz MQJUZBLJJCCYJN-IAGOWNOFSA-N 1 0 275.392 2.536 50 0 CFAARO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000344174481 382179539 /nfs/dbraw/zinc/17/95/39/382179539.db2.gz QFRKYEZFSXGZTO-STQMWFEESA-N 1 0 288.366 2.967 50 0 CFAARO C[C@@H]1CN(CCSc2ncc(C(C)(C)C)o2)CCO1 ZINC000188326340 382393907 /nfs/dbraw/zinc/39/39/07/382393907.db2.gz CXUATXIKGVVHDY-LLVKDONJSA-N 1 0 284.425 2.785 50 0 CFAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000004031341 184529357 /nfs/dbraw/zinc/52/93/57/184529357.db2.gz JMEOWFDQSWXKOY-GLQYFDAESA-N 1 0 267.319 2.921 50 0 CFAARO CCc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000189749359 382639169 /nfs/dbraw/zinc/63/91/69/382639169.db2.gz WMTMMAMXVFRRTA-UHFFFAOYSA-N 1 0 284.407 2.753 50 0 CFAARO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191349249 382698899 /nfs/dbraw/zinc/69/88/99/382698899.db2.gz KNVQWOCLGCEGRH-UONOGXRCSA-N 1 0 290.407 2.529 50 0 CFAARO CC[NH+](CC)CCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000191839662 382702874 /nfs/dbraw/zinc/70/28/74/382702874.db2.gz 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COc1ccc(-c2nc3c([nH]2)C[N@H+](CC=C(C)C)CC3)cn1 ZINC000222408852 382802051 /nfs/dbraw/zinc/80/20/51/382802051.db2.gz JVSDLZZLKNVHJG-UHFFFAOYSA-N 1 0 298.390 2.805 50 0 CFAARO CC(C)(C)c1ccc(CC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000225637239 382819424 /nfs/dbraw/zinc/81/94/24/382819424.db2.gz QQWZLFKLVOFRJV-HNNXBMFYSA-N 1 0 288.435 2.724 50 0 CFAARO CS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000225733220 382821154 /nfs/dbraw/zinc/82/11/54/382821154.db2.gz RQWROSCUADKKRA-OAHLLOKOSA-N 1 0 293.432 2.555 50 0 CFAARO CS[C@@H]1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000229836873 382853677 /nfs/dbraw/zinc/85/36/77/382853677.db2.gz OSWISLHGYOIZBU-RBSFLKMASA-N 1 0 265.422 2.936 50 0 CFAARO CC[N@H+](C[C@@H](O)c1cc(C)ccc1C)C[C@@H]1CCOC1 ZINC000229836498 382853687 /nfs/dbraw/zinc/85/36/87/382853687.db2.gz PNELGSQDNINNPI-DOTOQJQBSA-N 1 0 277.408 2.695 50 0 CFAARO OC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000230086016 382855745 /nfs/dbraw/zinc/85/57/45/382855745.db2.gz XRNKENKDBGWPOU-TUKIKUTGSA-N 1 0 283.799 2.514 50 0 CFAARO Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)Cn1cncn1 ZINC000230126044 382855947 /nfs/dbraw/zinc/85/59/47/382855947.db2.gz ISLPJLLWENTGAM-NFAWXSAZSA-N 1 0 270.380 2.813 50 0 CFAARO CNC(=O)CC[N@@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000230166323 382856749 /nfs/dbraw/zinc/85/67/49/382856749.db2.gz MUMVJEOVVMZBOW-WBVHZDCISA-N 1 0 272.392 2.524 50 0 CFAARO C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC(=O)NCC1CC1 ZINC000421841532 382941782 /nfs/dbraw/zinc/94/17/82/382941782.db2.gz KTVNDDLNYVFXJE-SNVBAGLBSA-N 1 0 298.789 2.526 50 0 CFAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)Cc1cccc(F)c1 ZINC000237541543 382964166 /nfs/dbraw/zinc/96/41/66/382964166.db2.gz FVACLIGPJJFFEJ-HEHGZKQESA-N 1 0 292.398 2.733 50 0 CFAARO NC(=O)CC[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000535083753 382952241 /nfs/dbraw/zinc/95/22/41/382952241.db2.gz ZCCXGUJHQOOWDA-PEXHTFQZSA-N 1 0 290.382 2.816 50 0 CFAARO Cc1cccc([C@H](C)CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000237387601 382958743 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ZINC000240824925 382982305 /nfs/dbraw/zinc/98/23/05/382982305.db2.gz QMEOUFIGWSROLQ-UHFFFAOYSA-N 1 0 287.407 2.891 50 0 CFAARO C[C@@H](NC(=O)CO[C@H]1CCCC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000241776794 382984764 /nfs/dbraw/zinc/98/47/64/382984764.db2.gz RSQLURIBEIQBKP-KFWWJZLASA-N 1 0 298.471 2.674 50 0 CFAARO Cc1cnccc1CN(C)CC[N@H+]1CCCC[C@@H]1C ZINC000244723935 382990971 /nfs/dbraw/zinc/99/09/71/382990971.db2.gz MKPSSQAEVZBFGP-HNNXBMFYSA-N 1 0 261.413 2.696 50 0 CFAARO CCN(Cc1noc(C2CCC2)n1)C[C@@H]1CCC[N@@H+]1CC ZINC000244831518 382993223 /nfs/dbraw/zinc/99/32/23/382993223.db2.gz UFESQIZANILEAD-AWEZNQCLSA-N 1 0 292.427 2.643 50 0 CFAARO CCn1ccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)n1 ZINC000244852876 382993249 /nfs/dbraw/zinc/99/32/49/382993249.db2.gz VAVBMSQWNRXGLS-AWEZNQCLSA-N 1 0 287.407 2.975 50 0 CFAARO CCO[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc(C)c(F)c1 ZINC000244884338 382994456 /nfs/dbraw/zinc/99/44/56/382994456.db2.gz YKKIKDXOXCEUSY-ZDUSSCGKSA-N 1 0 296.386 2.820 50 0 CFAARO Cc1ccccc1C1(C[NH2+]Cc2cncn2C)CCOCC1 ZINC000237698915 382968672 /nfs/dbraw/zinc/96/86/72/382968672.db2.gz PBJRCKPOXYAPRZ-UHFFFAOYSA-N 1 0 299.418 2.567 50 0 CFAARO CC[C@H](O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000247051652 383136904 /nfs/dbraw/zinc/13/69/04/383136904.db2.gz AZAUWAXXWRYFKV-KBPBESRZSA-N 1 0 251.395 2.547 50 0 CFAARO Cc1ncc(C[NH+]2CCC(OC3CCCC3)CC2)o1 ZINC000585120728 383115894 /nfs/dbraw/zinc/11/58/94/383115894.db2.gz GBFIEYHOQGMBHV-UHFFFAOYSA-N 1 0 264.369 2.907 50 0 CFAARO CC[C@@H]1[C@@H](C(=O)NCC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000585130775 383116230 /nfs/dbraw/zinc/11/62/30/383116230.db2.gz BQIIABWKSPBZNM-JKSUJKDBSA-N 1 0 286.419 2.565 50 0 CFAARO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000585132335 383116797 /nfs/dbraw/zinc/11/67/97/383116797.db2.gz ULRCFFVEGJVDJE-LBTNJELSSA-N 1 0 286.419 2.768 50 0 CFAARO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC000248144312 383214395 /nfs/dbraw/zinc/21/43/95/383214395.db2.gz RGBQDYQEZUMJJX-SOUVJXGZSA-N 1 0 292.810 2.654 50 0 CFAARO CC1(C)[C@H]([NH2+][C@H]2CCc3ncnn3C2)C[C@H]1c1ccccc1 ZINC000248655309 383278195 /nfs/dbraw/zinc/27/81/95/383278195.db2.gz VUECLIOGQMGFQB-HRCADAONSA-N 1 0 296.418 2.765 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000248161024 383215795 /nfs/dbraw/zinc/21/57/95/383215795.db2.gz XMTXBSCSRYHILS-LSDHHAIUSA-N 1 0 294.345 2.664 50 0 CFAARO CC(C)[C@@H]([NH2+]Cc1cscn1)[C@@H](CO)C(C)C ZINC000449510700 383346457 /nfs/dbraw/zinc/34/64/57/383346457.db2.gz LSRLTWANPOTKJH-QWHCGFSZSA-N 1 0 256.415 2.522 50 0 CFAARO Cc1ccc2c(cc(CN3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)n2C)c1 ZINC000426419750 383399931 /nfs/dbraw/zinc/39/99/31/383399931.db2.gz KJHFQOVXIMBDEI-AMBYYYRHSA-N 1 0 295.430 2.669 50 0 CFAARO C[C@H](CCC(=O)NCc1ccccc1F)[NH+]1CCCC1 ZINC000426477811 383401992 /nfs/dbraw/zinc/40/19/92/383401992.db2.gz ZXLBRFVSVSGMIJ-CYBMUJFWSA-N 1 0 278.371 2.706 50 0 CFAARO Cc1cc(CN(C)C(=O)CC[C@@H](C)[NH+]2CCCC2)ccn1 ZINC000426690269 383409097 /nfs/dbraw/zinc/40/90/97/383409097.db2.gz JBCXXMITXNQYEM-OAHLLOKOSA-N 1 0 289.423 2.613 50 0 CFAARO CO[C@]12CC[N@H+](Cc3cccc(Cl)c3)[C@H]1C[C@H](O)CC2 ZINC000426674301 383409312 /nfs/dbraw/zinc/40/93/12/383409312.db2.gz PHMPDQVAJIHYRU-OWCLPIDISA-N 1 0 295.810 2.844 50 0 CFAARO Fc1ccc(/C=C/CN2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000426698492 383409855 /nfs/dbraw/zinc/40/98/55/383409855.db2.gz VOGJJRXTEGFLRU-GZAMDXNMSA-N 1 0 272.367 2.521 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cn2ccc(C)cc2n1 ZINC000252478843 383410156 /nfs/dbraw/zinc/41/01/56/383410156.db2.gz AVURDLJNNPAHOF-UHFFFAOYSA-N 1 0 297.406 2.657 50 0 CFAARO COc1cc(C)c(-c2cncc(C[NH+](C)C)n2)c(C)c1 ZINC000426746364 383411068 /nfs/dbraw/zinc/41/10/68/383411068.db2.gz XPNMCMNQEQALSC-UHFFFAOYSA-N 1 0 271.364 2.831 50 0 CFAARO CNc1nc(C[N@H+](C)C2Cc3ccccc3C2)cs1 ZINC000252482684 383411078 /nfs/dbraw/zinc/41/10/78/383411078.db2.gz DMALGHHPTCNXRZ-UHFFFAOYSA-N 1 0 273.405 2.784 50 0 CFAARO C[N@H+](CCn1cnc2ccccc21)C[C@@H]1CCCCO1 ZINC000252500555 383413951 /nfs/dbraw/zinc/41/39/51/383413951.db2.gz SXQWHHBQEHWTHQ-AWEZNQCLSA-N 1 0 273.380 2.537 50 0 CFAARO COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1F ZINC000253370166 383452274 /nfs/dbraw/zinc/45/22/74/383452274.db2.gz NCYNKJKFVQEHIB-RAIGVLPGSA-N 1 0 267.344 2.788 50 0 CFAARO Cn1ccc(C[NH2+][C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000253428656 383458403 /nfs/dbraw/zinc/45/84/03/383458403.db2.gz KJNRBWPVNPBNGQ-DZGCQCFKSA-N 1 0 273.355 2.985 50 0 CFAARO C[C@]([NH3+])(C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000253425569 383458932 /nfs/dbraw/zinc/45/89/32/383458932.db2.gz QXUIZLZCKJTVEV-MAUKXSAKSA-N 1 0 286.419 2.766 50 0 CFAARO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000253432411 383459327 /nfs/dbraw/zinc/45/93/27/383459327.db2.gz YYMZOAOKBYQABS-BHTHQVBYSA-N 1 0 272.392 2.549 50 0 CFAARO CCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@H](C[NH3+])C1 ZINC000255290451 383478790 /nfs/dbraw/zinc/47/87/90/383478790.db2.gz DBVAGIDWUKWYFL-MEJMFZKBSA-N 1 0 298.386 2.816 50 0 CFAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)C1CCC1 ZINC000252539879 383417737 /nfs/dbraw/zinc/41/77/37/383417737.db2.gz OPUHKYQOECJAHH-UHFFFAOYSA-N 1 0 296.480 2.510 50 0 CFAARO CCNC(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000257190724 383492145 /nfs/dbraw/zinc/49/21/45/383492145.db2.gz OYLOUOLNOHKPBK-OAHLLOKOSA-N 1 0 281.444 2.692 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)NC1CCCCC1 ZINC000257193356 383493324 /nfs/dbraw/zinc/49/33/24/383493324.db2.gz YCWIUYVIGDBQSU-UHFFFAOYSA-N 1 0 290.411 2.701 50 0 CFAARO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@]2(CCOC2)O1 ZINC000280154335 384907708 /nfs/dbraw/zinc/90/77/08/384907708.db2.gz DWSRFXOTNHZXJG-XNHCWWPPSA-N 1 0 273.376 2.580 50 0 CFAARO COc1ccc2[nH]c(SCCc3cncn3C)nc2c1 ZINC000287190987 385800053 /nfs/dbraw/zinc/80/00/53/385800053.db2.gz KYCAOUOVYDVKGX-UHFFFAOYSA-N 1 0 288.376 2.640 50 0 CFAARO OC[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000096483859 285289979 /nfs/dbraw/zinc/28/99/79/285289979.db2.gz JMYJZCDPNOLWES-BLLLJJGKSA-N 1 0 263.356 2.907 50 0 CFAARO Cc1ccccc1CC[C@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000071753260 256878326 /nfs/dbraw/zinc/87/83/26/256878326.db2.gz QHHMVRNIGLLYHE-OAHLLOKOSA-N 1 0 286.419 2.658 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000824250072 781989768 /nfs/dbraw/zinc/98/97/68/781989768.db2.gz FGKSTGOSZIHJFV-JTQLQIEISA-N 1 0 279.409 2.985 50 0 CFAARO CC[C@@H](O)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC000095415724 184973575 /nfs/dbraw/zinc/97/35/75/184973575.db2.gz LRRWTQKDCIZWOE-CYBMUJFWSA-N 1 0 282.815 2.987 50 0 CFAARO COc1ccccc1C[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000095463559 184994001 /nfs/dbraw/zinc/99/40/01/184994001.db2.gz QPBBXJTULRJMLD-AWEZNQCLSA-N 1 0 277.408 2.974 50 0 CFAARO Oc1cccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)c1 ZINC000077404867 285391710 /nfs/dbraw/zinc/39/17/10/285391710.db2.gz RNZTZUPYUHYGSY-QGZVFWFLSA-N 1 0 294.358 2.515 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000096479379 533497295 /nfs/dbraw/zinc/49/72/95/533497295.db2.gz JDFOKOZGFBCKMX-WDEREUQCSA-N 1 0 289.828 2.814 50 0 CFAARO [NH3+]CC1(NC(=O)C[C@H]2CCc3ccccc3C2)CCCC1 ZINC000262613075 131241299 /nfs/dbraw/zinc/24/12/99/131241299.db2.gz ZCVACUCIMOKHGD-AWEZNQCLSA-N 1 0 286.419 2.569 50 0 CFAARO Cc1cc[nH+]c(NCCCNC(=O)c2cccs2)c1 ZINC000268375421 132000084 /nfs/dbraw/zinc/00/00/84/132000084.db2.gz ZPMPKJQZWNUORK-UHFFFAOYSA-N 1 0 275.377 2.684 50 0 CFAARO [NH2+]=C1N[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)N1 ZINC000000154900 393448390 /nfs/dbraw/zinc/44/83/90/393448390.db2.gz JDIPIUIHXUDIOV-UONOGXRCSA-N 1 0 299.761 2.551 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 ZINC000179006239 393450799 /nfs/dbraw/zinc/45/07/99/393450799.db2.gz WQPXIDBMJGSSDP-AWEZNQCLSA-N 1 0 297.402 2.533 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[N@@H+](C)Cc2cccs2)c1 ZINC000007166378 393465258 /nfs/dbraw/zinc/46/52/58/393465258.db2.gz OKHQLRICTAUOBV-AWEZNQCLSA-N 1 0 291.416 2.928 50 0 CFAARO C[C@@H]1C[N@@H+](Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000026511593 393494843 /nfs/dbraw/zinc/49/48/43/393494843.db2.gz AMJBTRSQHMULBV-BETUJISGSA-N 1 0 256.349 2.844 50 0 CFAARO C[C@H](c1cccc(F)c1)[NH+]1CCC2(CC1)OCCO2 ZINC000058430929 299637310 /nfs/dbraw/zinc/63/73/10/299637310.db2.gz UOCHBAKSUYZESG-GFCCVEGCSA-N 1 0 265.328 2.726 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063193132 393629916 /nfs/dbraw/zinc/62/99/16/393629916.db2.gz BYNDENPCSVMQNA-UKRRQHHQSA-N 1 0 260.381 2.645 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1C ZINC000071793275 393641536 /nfs/dbraw/zinc/64/15/36/393641536.db2.gz CPLGFGVZGNQBRG-YXPYIKCWSA-N 1 0 284.403 2.785 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000071925556 393642633 /nfs/dbraw/zinc/64/26/33/393642633.db2.gz CQVNVUXMHXVREF-GJZGRUSLSA-N 1 0 295.471 2.794 50 0 CFAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2occc2C)cn1 ZINC000083843469 393745466 /nfs/dbraw/zinc/74/54/66/393745466.db2.gz YXNWYOKUVBAHIS-XJKSGUPXSA-N 1 0 289.379 2.672 50 0 CFAARO C[NH+]1CCC(C)(CN2CC(Oc3ccc(F)cc3)C2)CC1 ZINC000216076223 393755314 /nfs/dbraw/zinc/75/53/14/393755314.db2.gz KCQKGIAZYQQRPH-UHFFFAOYSA-N 1 0 292.398 2.621 50 0 CFAARO [NH3+][C@H]1CCN(Cc2ccc(C3CCCC3)s2)C1 ZINC000216082090 393755345 /nfs/dbraw/zinc/75/53/45/393755345.db2.gz IUTVTSJOFXNLBZ-LBPRGKRZSA-N 1 0 250.411 2.939 50 0 CFAARO CNC(=O)c1cccc(CC[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000194479404 393699508 /nfs/dbraw/zinc/69/95/08/393699508.db2.gz MDJVMLDCDHWAKY-OAHLLOKOSA-N 1 0 296.414 2.982 50 0 CFAARO O=C(c1cc(F)ccc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000223296085 393765372 /nfs/dbraw/zinc/76/53/72/393765372.db2.gz CRXGSGUMPDFGOO-HNNXBMFYSA-N 1 0 296.773 2.695 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cccc3cccnc32)[C@@H](C)CO1 ZINC000225220065 393768140 /nfs/dbraw/zinc/76/81/40/393768140.db2.gz KJJQPHAQWNARPC-QWHCGFSZSA-N 1 0 256.349 2.844 50 0 CFAARO CC(C)C[N@@H+](Cc1ncc[nH]1)C[C@@H](O)c1ccc(F)cc1 ZINC000089840144 393771446 /nfs/dbraw/zinc/77/14/46/393771446.db2.gz LETXONVNASBNCO-OAHLLOKOSA-N 1 0 291.370 2.740 50 0 CFAARO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611041 393802276 /nfs/dbraw/zinc/80/22/76/393802276.db2.gz PMYFAPUPXBFQFA-KGLIPLIRSA-N 1 0 263.385 2.579 50 0 CFAARO Cc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000095460799 393812822 /nfs/dbraw/zinc/81/28/22/393812822.db2.gz XVAZCKWHFWEZGZ-HNNXBMFYSA-N 1 0 275.396 2.799 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccccc2)C1 ZINC000096180195 393815919 /nfs/dbraw/zinc/81/59/19/393815919.db2.gz SEBFOJGFKLCDEP-QXPKXGMISA-N 1 0 286.419 2.936 50 0 CFAARO COc1ccccc1/C=C\C[NH2+][C@H](C)Cn1cc(C)cn1 ZINC000096265903 393818433 /nfs/dbraw/zinc/81/84/33/393818433.db2.gz SZQIADGPOCEHNR-DDJMYBDESA-N 1 0 285.391 2.892 50 0 CFAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)CSc2ccccc2)C1 ZINC000096432433 393831604 /nfs/dbraw/zinc/83/16/04/393831604.db2.gz NACDWLVUMFFGPL-AWEZNQCLSA-N 1 0 292.448 2.579 50 0 CFAARO CC(C)(C)[C@H](O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000343848980 393890489 /nfs/dbraw/zinc/89/04/89/393890489.db2.gz UICWMGKSLFWULG-OAHLLOKOSA-N 1 0 259.393 2.941 50 0 CFAARO C[N@H+](CCC(=O)NCc1cccs1)Cc1ccsc1 ZINC000252486398 393935555 /nfs/dbraw/zinc/93/55/55/393935555.db2.gz HKYOJBVXHPUWPJ-UHFFFAOYSA-N 1 0 294.445 2.948 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000252487232 393935591 /nfs/dbraw/zinc/93/55/91/393935591.db2.gz URLDGLUOTOXKON-LAVFITLUSA-N 1 0 288.435 2.715 50 0 CFAARO CCn1cnnc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000122932221 393972995 /nfs/dbraw/zinc/97/29/95/393972995.db2.gz XXJHXPGVHQPPHX-CABCVRRESA-N 1 0 284.407 2.970 50 0 CFAARO COCC1(C[NH2+]Cc2ccnn2-c2ccccc2)CCC1 ZINC000281968285 394102788 /nfs/dbraw/zinc/10/27/88/394102788.db2.gz JWIVCDVFENMEBT-UHFFFAOYSA-N 1 0 285.391 2.779 50 0 CFAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C\c1cc2ccccc2o1 ZINC000493199365 394177866 /nfs/dbraw/zinc/17/78/66/394177866.db2.gz CMFHPHBJOJPAGZ-XBWLEZLWSA-N 1 0 284.359 2.784 50 0 CFAARO COc1ccc([C@H](C)[NH2+]CCn2ccnc2)c(C)c1OC ZINC000285505110 394144099 /nfs/dbraw/zinc/14/40/99/394144099.db2.gz CWGVSYQKLXROQL-ZDUSSCGKSA-N 1 0 289.379 2.560 50 0 CFAARO C[NH+](C)Cc1ccccc1C(=O)N1CCCc2occc2C1 ZINC000366459345 394243896 /nfs/dbraw/zinc/24/38/96/394243896.db2.gz XJZJUDARZQLLRV-UHFFFAOYSA-N 1 0 298.386 2.930 50 0 CFAARO CC[C@H](O)C[N@H+](C)C[C@H]1CCCc2sc(C)nc21 ZINC000366597774 394245697 /nfs/dbraw/zinc/24/56/97/394245697.db2.gz VHGAVNIEMWQCGU-NEPJUHHUSA-N 1 0 268.426 2.574 50 0 CFAARO CSCc1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1F ZINC000153716448 394290672 /nfs/dbraw/zinc/29/06/72/394290672.db2.gz PMYDHZCOKITPBP-PHIMTYICSA-N 1 0 296.411 2.511 50 0 CFAARO Fc1ccc(Br)c2[nH]c3c(c21)C[NH2+]CC3 ZINC000034985418 543007280 /nfs/dbraw/zinc/00/72/80/543007280.db2.gz SDMQIZACNMPHGD-UHFFFAOYSA-N 1 0 269.117 2.715 50 0 CFAARO c1cc(-c2ccc(N[C@H]3C[NH+]4CCC3CC4)cc2)n[nH]1 ZINC000037104852 543026265 /nfs/dbraw/zinc/02/62/65/543026265.db2.gz HHRRECQZGVIYGF-INIZCTEOSA-N 1 0 268.364 2.583 50 0 CFAARO c1nnc(-c2ccccc2OCC[NH+]2CCCCC2)o1 ZINC000190093645 543072309 /nfs/dbraw/zinc/07/23/09/543072309.db2.gz IBPWLDCNQYCDJI-UHFFFAOYSA-N 1 0 273.336 2.601 50 0 CFAARO CSCC(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000824881617 781999094 /nfs/dbraw/zinc/99/90/94/781999094.db2.gz WSYLFFLNLKRFOU-UHFFFAOYSA-N 1 0 278.421 2.974 50 0 CFAARO CCOC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000000757776 397535555 /nfs/dbraw/zinc/53/55/55/397535555.db2.gz AGBGGHRFDZPEFJ-OCCSQVGLSA-N 1 0 268.401 2.776 50 0 CFAARO c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000095421480 397591847 /nfs/dbraw/zinc/59/18/47/397591847.db2.gz PNCNYTAXBYROJZ-CZUORRHYSA-N 1 0 272.392 2.727 50 0 CFAARO C(=C\c1ccccc1)\C[N@@H+]1CCCC[C@@H]1Cn1cncn1 ZINC000101138744 397593097 /nfs/dbraw/zinc/59/30/97/397593097.db2.gz WHMMCVBNEORLJZ-UXHZXRBQSA-N 1 0 282.391 2.846 50 0 CFAARO Cc1ccccc1OCCC[N@@H+]1CC[C@H](N2CC=CC2)C1 ZINC000101269955 397593342 /nfs/dbraw/zinc/59/33/42/397593342.db2.gz IZQSUBJWNOEICF-KRWDZBQOSA-N 1 0 286.419 2.710 50 0 CFAARO Cc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000215151800 397619424 /nfs/dbraw/zinc/61/94/24/397619424.db2.gz WWJXPYFQYNWQJK-ZDUSSCGKSA-N 1 0 280.799 2.863 50 0 CFAARO COc1ccc(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000247922477 286346272 /nfs/dbraw/zinc/34/62/72/286346272.db2.gz OXMWHERAWFMKDW-RBSFLKMASA-N 1 0 293.407 2.698 50 0 CFAARO COc1ccccc1[C@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC000019656885 286517320 /nfs/dbraw/zinc/51/73/20/286517320.db2.gz ZVTPPUGBUIBZBC-CYBMUJFWSA-N 1 0 284.363 2.717 50 0 CFAARO COc1cccc(C2CC[NH+]([C@@H]3CCOC3)CC2)c1F ZINC000367003599 156264312 /nfs/dbraw/zinc/26/43/12/156264312.db2.gz ONNKPULGFNFAQH-CYBMUJFWSA-N 1 0 279.355 2.803 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000348471937 162855772 /nfs/dbraw/zinc/85/57/72/162855772.db2.gz VWYFIAJFFFNVQW-MGPQQGTHSA-N 1 0 273.442 2.793 50 0 CFAARO c1ccc(CC[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000001868518 169761669 /nfs/dbraw/zinc/76/16/69/169761669.db2.gz OHXFOKSTYRRGSM-UHFFFAOYSA-N 1 0 255.317 2.748 50 0 CFAARO Cc1n(CCO)c2cc(Cl)ccc2[n+]1-c1ccccc1 ZINC000003127921 169858696 /nfs/dbraw/zinc/85/86/96/169858696.db2.gz XAHUDIBZMNXWIG-UHFFFAOYSA-N 1 0 287.770 2.872 50 0 CFAARO COCC[NH2+]CCOc1cc(C)cc(C(C)C)c1 ZINC000003462054 169889815 /nfs/dbraw/zinc/88/98/15/169889815.db2.gz JDVULKKINQGINR-UHFFFAOYSA-N 1 0 251.370 2.733 50 0 CFAARO C1=CC[C@H]([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)CC1 ZINC000004124616 169935737 /nfs/dbraw/zinc/93/57/37/169935737.db2.gz NENUGJWNMCYKJE-RRFJBIMHSA-N 1 0 251.370 2.570 50 0 CFAARO COc1ccc(CC[NH3+])c(OCc2ccccc2)c1OC ZINC000004592760 169987821 /nfs/dbraw/zinc/98/78/21/169987821.db2.gz HPIVKWRBXGMAIW-UHFFFAOYSA-N 1 0 287.359 2.784 50 0 CFAARO NC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000004695057 170000425 /nfs/dbraw/zinc/00/04/25/170000425.db2.gz YXZSIBDKGRQYDG-UHFFFAOYSA-N 1 0 268.360 2.537 50 0 CFAARO C[C@H](O)C[NH2+]CCCSc1ccc(Cl)cc1 ZINC000004833092 170026227 /nfs/dbraw/zinc/02/62/27/170026227.db2.gz KSNXJFLQEMEIPR-JTQLQIEISA-N 1 0 259.802 2.793 50 0 CFAARO COc1cc(C[NH+]2CCCCCC2)cc(OC)c1O ZINC000004978379 170048235 /nfs/dbraw/zinc/04/82/35/170048235.db2.gz GAYIDXLGESKJJC-UHFFFAOYSA-N 1 0 265.353 2.785 50 0 CFAARO C[N@H+](C[C@@H](O)COc1ccccc1)C1CCCCC1 ZINC000004990655 170050661 /nfs/dbraw/zinc/05/06/61/170050661.db2.gz BPTFYUCYAIDRRA-OAHLLOKOSA-N 1 0 263.381 2.691 50 0 CFAARO COc1ccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c2c1 ZINC000004993284 170051275 /nfs/dbraw/zinc/05/12/75/170051275.db2.gz NDKHGKBLIUQHRS-UHFFFAOYSA-N 1 0 294.354 2.827 50 0 CFAARO Cc1ccc(-c2ccc(C[NH2+]CCO)o2)cc1Cl ZINC000004999755 170052734 /nfs/dbraw/zinc/05/27/34/170052734.db2.gz ZKLJVWGPGCLMRR-UHFFFAOYSA-N 1 0 265.740 2.990 50 0 CFAARO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[NH2+]1 ZINC000005000666 170053341 /nfs/dbraw/zinc/05/33/41/170053341.db2.gz WRGOUPZDDOHXIW-GFCCVEGCSA-N 1 0 274.393 2.532 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000005019517 170056601 /nfs/dbraw/zinc/05/66/01/170056601.db2.gz WNIAHURKSJXAEO-GFCCVEGCSA-N 1 0 255.745 2.617 50 0 CFAARO [NH3+]CCc1nnc(SCc2cccc(Cl)c2)o1 ZINC000005025434 170057204 /nfs/dbraw/zinc/05/72/04/170057204.db2.gz BJZXHLRMMWDKNX-UHFFFAOYSA-N 1 0 269.757 2.517 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000005073600 170064407 /nfs/dbraw/zinc/06/44/07/170064407.db2.gz IRPDBKXAAKRETB-OAHLLOKOSA-N 1 0 263.381 2.529 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCc2ccccc2F)C1 ZINC000005524261 170108118 /nfs/dbraw/zinc/10/81/18/170108118.db2.gz SPIIONDFFFARTK-DZKIICNBSA-N 1 0 295.398 2.681 50 0 CFAARO CN(C)c1ccc(-c2cc(C3CC[NH2+]CC3)[nH]n2)cc1 ZINC000005625557 170121432 /nfs/dbraw/zinc/12/14/32/170121432.db2.gz OWQPTUICVMIBNX-UHFFFAOYSA-N 1 0 270.380 2.610 50 0 CFAARO C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000005912744 170154490 /nfs/dbraw/zinc/15/44/90/170154490.db2.gz YROGYEPXHCLCEA-CYBMUJFWSA-N 1 0 289.350 2.875 50 0 CFAARO C[C@H](O)c1cccc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000006030372 170170075 /nfs/dbraw/zinc/17/00/75/170170075.db2.gz GTYMTYBCXVOBBB-GWCFXTLKSA-N 1 0 277.364 2.908 50 0 in-vitro CFAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCCCO ZINC000006580050 170215163 /nfs/dbraw/zinc/21/51/63/170215163.db2.gz UHSXGAAFJYWZKZ-UHFFFAOYSA-N 1 0 278.179 2.864 50 0 CFAARO COc1ccc(CC[NH2+]Cc2ccc(O)cc2)cc1 ZINC000006599602 170217765 /nfs/dbraw/zinc/21/77/65/170217765.db2.gz HLXBTIFMCZIREB-UHFFFAOYSA-N 1 0 257.333 2.733 50 0 CFAARO CCc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000006725739 170232835 /nfs/dbraw/zinc/23/28/35/170232835.db2.gz WKGRONJWABVYKN-UHFFFAOYSA-N 1 0 275.396 2.856 50 0 CFAARO COc1ccccc1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12 ZINC000006849621 170248928 /nfs/dbraw/zinc/24/89/28/170248928.db2.gz DWFHSNCUMBKUCN-KBMXLJTQSA-N 1 0 261.365 2.651 50 0 biogenic,in-vitro CFAARO Nc1cc(N)[nH+]c(SCc2cccc(Cl)c2)n1 ZINC000006969953 170260163 /nfs/dbraw/zinc/26/01/63/170260163.db2.gz WURQWZZAPHDQIR-UHFFFAOYSA-N 1 0 266.757 2.587 50 0 CFAARO O=C(NCC[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC000007435773 170284480 /nfs/dbraw/zinc/28/44/80/170284480.db2.gz HUTZFRNQBZJDJK-UHFFFAOYSA-N 1 0 268.360 2.665 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccs1 ZINC000007459700 170286304 /nfs/dbraw/zinc/28/63/04/170286304.db2.gz NIXNRRFECSBQGS-GFCCVEGCSA-N 1 0 266.410 2.657 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000007636273 170294321 /nfs/dbraw/zinc/29/43/21/170294321.db2.gz ABONSXHZHXQBBR-GJZGRUSLSA-N 1 0 263.381 2.609 50 0 CFAARO COc1cccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000008062798 170317094 /nfs/dbraw/zinc/31/70/94/170317094.db2.gz PRANOSRVRWGXRX-UHFFFAOYSA-N 1 0 298.386 2.687 50 0 CFAARO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c1 ZINC000008553098 170339725 /nfs/dbraw/zinc/33/97/25/170339725.db2.gz YDBPAMFTYNDWQO-HYVNUMGLSA-N 1 0 291.391 2.660 50 0 CFAARO COc1ccc2[nH]c(C)c(C[NH+]3CCCC3)c(=O)c2c1 ZINC000008700572 170346833 /nfs/dbraw/zinc/34/68/33/170346833.db2.gz QAOBGCITIVZBAJ-UHFFFAOYSA-N 1 0 272.348 2.853 50 0 CFAARO CCOC(=O)C=C1CC[NH+](Cc2ccccc2)CC1 ZINC000008729972 170350686 /nfs/dbraw/zinc/35/06/86/170350686.db2.gz ZKKOLEGJTTYPDH-UHFFFAOYSA-N 1 0 259.349 2.772 50 0 CFAARO CC(C)NC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012704953 170504310 /nfs/dbraw/zinc/50/43/10/170504310.db2.gz NRJIDAMQEXTXMT-AWEZNQCLSA-N 1 0 281.444 2.881 50 0 CFAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccnc1 ZINC000020124384 171006675 /nfs/dbraw/zinc/00/66/75/171006675.db2.gz LATCKZCLUYCTGP-NSHDSACASA-N 1 0 256.305 2.661 50 0 CFAARO CC(C)(C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020149812 171037471 /nfs/dbraw/zinc/03/74/71/171037471.db2.gz OKASHOVQQWOPFS-UHFFFAOYSA-N 1 0 292.398 2.952 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000248656242 289743096 /nfs/dbraw/zinc/74/30/96/289743096.db2.gz WLNBUIOEOHPPRK-IBWPGLOJSA-N 1 0 279.449 2.925 50 0 CFAARO Cc1nc(C[NH2+]CCc2ccc3c(c2)OCCO3)cs1 ZINC000020252966 171104896 /nfs/dbraw/zinc/10/48/96/171104896.db2.gz ADKQWXHOOFUWPS-UHFFFAOYSA-N 1 0 290.388 2.555 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000020271549 171126609 /nfs/dbraw/zinc/12/66/09/171126609.db2.gz SLPYPYKUAHZCFK-CZUORRHYSA-N 1 0 294.354 2.669 50 0 CFAARO c1ccc(-c2ccccc2OCCN2CC[NH2+]CC2)cc1 ZINC000020272606 171127387 /nfs/dbraw/zinc/12/73/87/171127387.db2.gz NWZRIYUTUFNGHT-UHFFFAOYSA-N 1 0 282.387 2.638 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000020284431 171133608 /nfs/dbraw/zinc/13/36/08/171133608.db2.gz RJDOUSYOOIZENO-LLVKDONJSA-N 1 0 273.302 2.997 50 0 CFAARO O=C(C[C@@H]1[NH2+]CCc2ccccc21)Nc1ccccc1 ZINC000020387443 171176931 /nfs/dbraw/zinc/17/69/31/171176931.db2.gz YGRJNYNWWZJPEO-INIZCTEOSA-N 1 0 266.344 2.902 50 0 CFAARO Cn1nc(SCc2ccccc2)nc1C1CC[NH2+]CC1 ZINC000020423762 171190546 /nfs/dbraw/zinc/19/05/46/171190546.db2.gz IZTCXDMFFHKGAY-UHFFFAOYSA-N 1 0 288.420 2.574 50 0 CFAARO FC(F)(F)c1cccc(OCCCN2CCOCC2)c1 ZINC000020653128 171268951 /nfs/dbraw/zinc/26/89/51/171268951.db2.gz HBNXKFXBFOKDJE-UHFFFAOYSA-N 1 0 289.297 2.807 50 0 CFAARO CCC(=O)c1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000020653609 171269455 /nfs/dbraw/zinc/26/94/55/171269455.db2.gz OYJKXRKMEPLVKC-UHFFFAOYSA-N 1 0 291.391 2.771 50 0 CFAARO c1c(CN2CC[NH+](Cc3ccccc3)CC2)[nH]nc1C1CC1 ZINC000020779709 171272200 /nfs/dbraw/zinc/27/22/00/171272200.db2.gz FYIPMVQFVGKVQK-UHFFFAOYSA-N 1 0 296.418 2.605 50 0 CFAARO Cn1nccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020915439 171279771 /nfs/dbraw/zinc/27/97/71/171279771.db2.gz XPWKOYTURCOSPN-UHFFFAOYSA-N 1 0 269.392 2.875 50 0 CFAARO CCCOc1cccc(C[NH2+]CCCOCC)c1 ZINC000020924845 171280119 /nfs/dbraw/zinc/28/01/19/171280119.db2.gz DENHXOLXFDLQKQ-UHFFFAOYSA-N 1 0 251.370 2.992 50 0 CFAARO COc1cc(Br)cc(C[NH2+]C2CC2)c1OC ZINC000020933845 171281039 /nfs/dbraw/zinc/28/10/39/171281039.db2.gz GTMRZPJAJIBTDW-UHFFFAOYSA-N 1 0 286.169 2.718 50 0 CFAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1c(C)noc1C ZINC000021720091 171320970 /nfs/dbraw/zinc/32/09/70/171320970.db2.gz ILTCDPCRPMIKRD-CQSZACIVSA-N 1 0 274.368 2.670 50 0 CFAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1c(F)cccc1F ZINC000022078396 171352560 /nfs/dbraw/zinc/35/25/60/171352560.db2.gz UNZAXWODHKWUBV-IAQYHMDHSA-N 1 0 266.335 2.633 50 0 CFAARO Cc1ccsc1C[NH2+][C@@H](C)[C@H](O)c1ccc(O)cc1 ZINC000022356611 171385638 /nfs/dbraw/zinc/38/56/38/171385638.db2.gz SPTINGYTVHDLDY-NHYWBVRUSA-N 1 0 277.389 2.974 50 0 CFAARO Brc1ccc(COC2CC[NH2+]CC2)cc1 ZINC000031839924 171649076 /nfs/dbraw/zinc/64/90/76/171649076.db2.gz FYQRZXJLGKAUMO-UHFFFAOYSA-N 1 0 270.170 2.718 50 0 CFAARO [NH3+][C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000035679643 172350469 /nfs/dbraw/zinc/35/04/69/172350469.db2.gz OIRCOVVOPYGRHM-GFCCVEGCSA-N 1 0 268.316 2.543 50 0 CFAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[NH2+]C1 ZINC000036172571 172491752 /nfs/dbraw/zinc/49/17/52/172491752.db2.gz AXJBZGIMGVPAQZ-VIFPVBQESA-N 1 0 253.729 2.531 50 0 CFAARO C[C@@H](Cc1cccs1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000037021035 172884251 /nfs/dbraw/zinc/88/42/51/172884251.db2.gz WBUJCBOUJCGIRH-SWLSCSKDSA-N 1 0 288.416 2.885 50 0 CFAARO C[C@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000037255548 173066728 /nfs/dbraw/zinc/06/67/28/173066728.db2.gz RBZJECFBVRYYAZ-FZMZJTMJSA-N 1 0 264.344 2.933 50 0 CFAARO CCOc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000037386867 173169559 /nfs/dbraw/zinc/16/95/59/173169559.db2.gz TWBQEVXQBOBZHZ-UHFFFAOYSA-N 1 0 262.353 2.556 50 0 CFAARO O=C(C[NH2+]Cc1cccs1)Nc1ccc(F)cc1 ZINC000037466992 173226459 /nfs/dbraw/zinc/22/64/59/173226459.db2.gz PTRJCZNNLXNGMJ-UHFFFAOYSA-N 1 0 264.325 2.616 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1 ZINC000037487703 173229946 /nfs/dbraw/zinc/22/99/46/173229946.db2.gz FAABNEUFMRZEEQ-ZDUSSCGKSA-N 1 0 278.371 2.820 50 0 CFAARO O[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000037490699 173232236 /nfs/dbraw/zinc/23/22/36/173232236.db2.gz KBXDZHLWXBDDFT-QZTJIDSGSA-N 1 0 288.435 2.544 50 0 CFAARO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000037648376 173598068 /nfs/dbraw/zinc/59/80/68/173598068.db2.gz IDSHXFJUBGWZMS-NWDGAFQWSA-N 1 0 287.329 2.616 50 0 CFAARO O=C(C1CCCCC1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915893 173849991 /nfs/dbraw/zinc/84/99/91/173849991.db2.gz KUZRGCAVVFGIGL-HNNXBMFYSA-N 1 0 264.413 2.557 50 0 CFAARO Fc1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580876 174148419 /nfs/dbraw/zinc/14/84/19/174148419.db2.gz UZDIDPRFBLNYIT-VIFPVBQESA-N 1 0 274.133 2.719 50 0 CFAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000040088355 174188804 /nfs/dbraw/zinc/18/88/04/174188804.db2.gz BKXVOJCURDETSW-NSHDSACASA-N 1 0 293.798 2.946 50 0 CFAARO CC1CC[NH+](CCNC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000040097570 174190814 /nfs/dbraw/zinc/19/08/14/174190814.db2.gz BYBHUDJBTSEJJO-UHFFFAOYSA-N 1 0 297.349 2.818 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000040161815 174196524 /nfs/dbraw/zinc/19/65/24/174196524.db2.gz DHXJVLCSAREPBB-CQSZACIVSA-N 1 0 264.413 2.868 50 0 CFAARO CN(Cc1ccc(Cl)s1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040464477 174273895 /nfs/dbraw/zinc/27/38/95/174273895.db2.gz NOTKFNYVUAIXQU-SNVBAGLBSA-N 1 0 274.817 2.733 50 0 CFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[C@@H]1C ZINC000040466640 174274737 /nfs/dbraw/zinc/27/47/37/174274737.db2.gz WJBFFHNPIZJWKZ-BBRMVZONSA-N 1 0 274.408 2.801 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCN(C)C ZINC000040719665 174385191 /nfs/dbraw/zinc/38/51/91/174385191.db2.gz CUDKVHSQIDKUAD-UHFFFAOYSA-N 1 0 270.804 2.778 50 0 CFAARO C[NH2+]CCCNCc1cc(Cl)ccc1OC(C)C ZINC000040719664 174385297 /nfs/dbraw/zinc/38/52/97/174385297.db2.gz VNSWFNCCMXXPAK-UHFFFAOYSA-N 1 0 270.804 2.826 50 0 CFAARO Nc1c(Cl)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043665716 175086464 /nfs/dbraw/zinc/08/64/64/175086464.db2.gz PRPMMHCYSZZNSB-GFCCVEGCSA-N 1 0 276.771 2.566 50 0 CFAARO O[C@@H](C[NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1F ZINC000044353105 175166891 /nfs/dbraw/zinc/16/68/91/175166891.db2.gz VJNAHOHVQOVNKC-NHYWBVRUSA-N 1 0 267.319 2.944 50 0 CFAARO CCOc1ccccc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000044535888 175199170 /nfs/dbraw/zinc/19/91/70/175199170.db2.gz QTZNUQMUTCJDFA-CQSZACIVSA-N 1 0 262.397 2.517 50 0 CFAARO O=C(NCC[NH+]1CCCC1)C1(c2cccc(Cl)c2)CC1 ZINC000044604083 175216151 /nfs/dbraw/zinc/21/61/51/175216151.db2.gz RJPOVRSACMTNBJ-UHFFFAOYSA-N 1 0 292.810 2.584 50 0 CFAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000044648912 175224064 /nfs/dbraw/zinc/22/40/64/175224064.db2.gz HSQKSANKNIBGKJ-GFCCVEGCSA-N 1 0 265.328 2.726 50 0 CFAARO C(=C/c1ccccc1)\C[NH2+]CCOc1ccccn1 ZINC000045945431 175387799 /nfs/dbraw/zinc/38/77/99/175387799.db2.gz NBIIKFWVIBCDDR-RMKNXTFCSA-N 1 0 254.333 2.763 50 0 CFAARO CC(C)[NH2+]C(C)(C)c1nnnn1-c1ccc(Cl)cc1 ZINC000046078153 175392031 /nfs/dbraw/zinc/39/20/31/175392031.db2.gz QYYHLNGFLWYNRC-UHFFFAOYSA-N 1 0 279.775 2.549 50 0 CFAARO OCC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000046090644 175392934 /nfs/dbraw/zinc/39/29/34/175392934.db2.gz VJYCQRGCHACVRY-UHFFFAOYSA-N 1 0 273.298 2.910 50 0 CFAARO Cc1ccsc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000046858657 175399956 /nfs/dbraw/zinc/39/99/56/175399956.db2.gz OEKNSUOTNNUOII-GFCCVEGCSA-N 1 0 266.410 2.661 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000053202352 175544158 /nfs/dbraw/zinc/54/41/58/175544158.db2.gz NZBRSPLUGIDZTD-MRZGDXHCSA-N 1 0 278.783 2.564 50 0 CFAARO [NH3+]CCN(Cc1ccccc1)C(=O)c1cccc(F)c1F ZINC000054187448 175555283 /nfs/dbraw/zinc/55/52/83/175555283.db2.gz MEHLXQVWTBXMCR-UHFFFAOYSA-N 1 0 290.313 2.566 50 0 CFAARO O=C(CCc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000058323367 175618245 /nfs/dbraw/zinc/61/82/45/175618245.db2.gz NPUIAYLKVCTWLC-QGZVFWFLSA-N 1 0 286.419 2.706 50 0 CFAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)CN2 ZINC000058381152 175622006 /nfs/dbraw/zinc/62/20/06/175622006.db2.gz PNMNEOPWTUXSCD-KDOFPFPSSA-N 1 0 296.418 2.974 50 0 CFAARO COc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)cc1F ZINC000067966542 175804828 /nfs/dbraw/zinc/80/48/28/175804828.db2.gz HSQBYAMLGRKPKO-GFCCVEGCSA-N 1 0 273.307 2.764 50 0 CFAARO c1ccc(SC2(CNC3=[NH+]CCN3)CCCC2)cc1 ZINC000069673485 175846923 /nfs/dbraw/zinc/84/69/23/175846923.db2.gz XXQNZUYQMFUMHN-UHFFFAOYSA-N 1 0 275.421 2.640 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000071143675 176040927 /nfs/dbraw/zinc/04/09/27/176040927.db2.gz WPLPNVDBIQGRET-VIFPVBQESA-N 1 0 287.190 2.675 50 0 CFAARO CCN(CC[NH+]1CCCC1)C(=O)c1cccc2cnccc21 ZINC000071747115 176258795 /nfs/dbraw/zinc/25/87/95/176258795.db2.gz VUXPPAQVJMJBPC-UHFFFAOYSA-N 1 0 297.402 2.793 50 0 CFAARO C[NH+]1CCC(CCNC(=O)c2ccccc2Cl)CC1 ZINC000071754958 176260534 /nfs/dbraw/zinc/26/05/34/176260534.db2.gz SKAGLZUTPFYXKX-UHFFFAOYSA-N 1 0 280.799 2.802 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000071819508 176270072 /nfs/dbraw/zinc/27/00/72/176270072.db2.gz WVNNLXTXEFOXHK-INIZCTEOSA-N 1 0 290.386 2.558 50 0 CFAARO CC(C)[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000071858780 176279485 /nfs/dbraw/zinc/27/94/85/176279485.db2.gz FZKQJIMZIXADIR-LBPRGKRZSA-N 1 0 261.325 2.950 50 0 CFAARO [NH3+]C1(c2nc(-c3cccs3)cc(=O)[nH]2)CCCCC1 ZINC000071858597 176279623 /nfs/dbraw/zinc/27/96/23/176279623.db2.gz IGYYUFJQNLMCIA-UHFFFAOYSA-N 1 0 275.377 2.617 50 0 CFAARO Cc1cnn(C[C@@H]2CCC[N@H+]2[C@@H](C)c2cccnc2)c1 ZINC000071875932 176285375 /nfs/dbraw/zinc/28/53/75/176285375.db2.gz BUSJYNTVXAYMST-HOCLYGCPSA-N 1 0 270.380 2.812 50 0 CFAARO CCOC[C@@H](O)C[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000071904860 176295724 /nfs/dbraw/zinc/29/57/24/176295724.db2.gz JHNOOEYTEMPGBU-WFASDCNBSA-N 1 0 269.360 2.606 50 0 CFAARO O=C1N(CCC2CCCCC2)CCC[C@@]12CC[NH2+]C2 ZINC000072129242 176321383 /nfs/dbraw/zinc/32/13/83/176321383.db2.gz UTUVFSZJURKYID-INIZCTEOSA-N 1 0 264.413 2.559 50 0 CFAARO CC(C)c1cc(NC[C@@H](C)[NH+]2CCCC2)n2nccc2n1 ZINC000072144951 176325169 /nfs/dbraw/zinc/32/51/69/176325169.db2.gz RZVYLFQMNDDSJV-CYBMUJFWSA-N 1 0 287.411 2.749 50 0 CFAARO C[N@@H+](Cc1cc(-c2ccccc2)no1)C[C@H]1CCOC1 ZINC000072150243 176326264 /nfs/dbraw/zinc/32/62/64/176326264.db2.gz CGFUOJDCFJZGDC-CYBMUJFWSA-N 1 0 272.348 2.810 50 0 CFAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccsc3)C2)cc(=O)[nH]1 ZINC000072171463 176333022 /nfs/dbraw/zinc/33/30/22/176333022.db2.gz KJGWLHNGRXQEJB-ZDUSSCGKSA-N 1 0 289.404 2.519 50 0 CFAARO Cc1ccccc1CC[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000072174145 176333632 /nfs/dbraw/zinc/33/36/32/176333632.db2.gz YNKDPVZXAKANAB-KRWDZBQOSA-N 1 0 291.435 2.649 50 0 CFAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)CC2)cc1C ZINC000072254378 176350677 /nfs/dbraw/zinc/35/06/77/176350677.db2.gz CKQZSYGIVSUBSD-UHFFFAOYSA-N 1 0 286.419 2.861 50 0 CFAARO O=C(c1ccc(F)cc1F)N1CCC[N@H+](CC2CC2)CC1 ZINC000072254372 176350797 /nfs/dbraw/zinc/35/07/97/176350797.db2.gz ILKUUMCHCPLMGD-UHFFFAOYSA-N 1 0 294.345 2.523 50 0 CFAARO Cc1cc(Nc2ccccn2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072343458 176372131 /nfs/dbraw/zinc/37/21/31/176372131.db2.gz NYQKTIRVZVATCU-CYBMUJFWSA-N 1 0 268.364 2.996 50 0 CFAARO CCc1csc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)n1 ZINC000077300112 177250055 /nfs/dbraw/zinc/25/00/55/177250055.db2.gz SGBCBTPDNGZVAM-ZDUSSCGKSA-N 1 0 296.436 2.523 50 0 CFAARO c1csc(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000077374971 177260009 /nfs/dbraw/zinc/26/00/09/177260009.db2.gz HKAWEEVFWZZFJA-HNNXBMFYSA-N 1 0 294.464 2.825 50 0 CFAARO CCn1cc(C[N@@H+]2CCC[C@@H](CCCOC)C2)cn1 ZINC000077554167 177280928 /nfs/dbraw/zinc/28/09/28/177280928.db2.gz VCXAHXSMXZNQEL-AWEZNQCLSA-N 1 0 265.401 2.542 50 0 CFAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000078553185 177353323 /nfs/dbraw/zinc/35/33/23/177353323.db2.gz NZZCMUQDROHYNK-LLVKDONJSA-N 1 0 289.427 2.839 50 0 CFAARO COc1ccc(CNC(=[NH2+])Nc2ccccc2)cc1 ZINC000048069761 420501388 /nfs/dbraw/zinc/50/13/88/420501388.db2.gz SCVKWIWWIMJWLN-UHFFFAOYSA-N 1 0 255.321 2.832 50 0 CFAARO [NH3+][C@H]1CCC[C@@H](c2nc(-c3ccc(F)c(F)c3)n[nH]2)C1 ZINC000827541538 782036116 /nfs/dbraw/zinc/03/61/16/782036116.db2.gz KEHXGPRZXBVXKQ-SCZZXKLOSA-N 1 0 278.306 2.735 50 0 CFAARO CC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1F ZINC000032598353 287650488 /nfs/dbraw/zinc/65/04/88/287650488.db2.gz JGTSOQPIOLOPRK-SLEUVZQESA-N 1 0 253.361 2.753 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c(C)c1 ZINC000063193570 274736740 /nfs/dbraw/zinc/73/67/40/274736740.db2.gz YLQQQUQECDGTID-DZGCQCFKSA-N 1 0 260.381 2.645 50 0 CFAARO Fc1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000039358095 274915450 /nfs/dbraw/zinc/91/54/50/274915450.db2.gz UQFPVEOCAVEVGE-OAHLLOKOSA-N 1 0 262.372 2.886 50 0 CFAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000012481294 274996320 /nfs/dbraw/zinc/99/63/20/274996320.db2.gz WNKIAYROQDNYLJ-SNVBAGLBSA-N 1 0 259.136 2.684 50 0 CFAARO O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000003795819 275031273 /nfs/dbraw/zinc/03/12/73/275031273.db2.gz CPZBLNMUGSZIPR-NVXWUHKLSA-N 1 0 296.414 2.657 50 0 fda CFAARO c1cc2nccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2s1 ZINC000095403184 275065993 /nfs/dbraw/zinc/06/59/93/275065993.db2.gz LCBCKTCGBXWTQD-GFCCVEGCSA-N 1 0 273.405 2.971 50 0 CFAARO c1ccc(N2CCC[N@@H+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000334199349 275067698 /nfs/dbraw/zinc/06/76/98/275067698.db2.gz NICOUHDFSUJMSC-INIZCTEOSA-N 1 0 274.408 2.625 50 0 CFAARO C/C=C(\C)C[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082135157 275402292 /nfs/dbraw/zinc/40/22/92/275402292.db2.gz KAWRZWVPIVQPHP-QLKAYGNNSA-N 1 0 285.391 2.851 50 0 CFAARO CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1C[NH3+] ZINC000002585675 275521727 /nfs/dbraw/zinc/52/17/27/275521727.db2.gz KWPOCVIPRLCCHW-GFCCVEGCSA-N 1 0 262.353 2.702 50 0 CFAARO CC(C)C[C@H](C)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000225628028 275592998 /nfs/dbraw/zinc/59/29/98/275592998.db2.gz ZCKBJMJLOGZICM-AWEZNQCLSA-N 1 0 281.444 2.548 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCOC2)CC1 ZINC000133830700 275823922 /nfs/dbraw/zinc/82/39/22/275823922.db2.gz OESHBXMNIXVRJJ-KGLIPLIRSA-N 1 0 298.427 2.545 50 0 CFAARO CC1CCC(O)(C[NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000095984415 275933371 /nfs/dbraw/zinc/93/33/71/275933371.db2.gz ZZURROXFMMKMOO-WIHSUSGWSA-N 1 0 277.408 2.641 50 0 CFAARO CCC(=O)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000065288879 275944246 /nfs/dbraw/zinc/94/42/46/275944246.db2.gz RPRXPKWNJMDCON-CQSZACIVSA-N 1 0 252.402 2.654 50 0 CFAARO CC(C)c1nnsc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000095376958 276078127 /nfs/dbraw/zinc/07/81/27/276078127.db2.gz ZYYJOUPXMNLLNP-CQSZACIVSA-N 1 0 281.425 2.664 50 0 CFAARO CC[C@H]([NH3+])C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000095971098 287925779 /nfs/dbraw/zinc/92/57/79/287925779.db2.gz RQUWZHZRPNNZTI-ZDUSSCGKSA-N 1 0 260.381 2.611 50 0 CFAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000054959983 277188968 /nfs/dbraw/zinc/18/89/68/277188968.db2.gz DVOURBIBCQYVCC-CYBMUJFWSA-N 1 0 262.353 2.568 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000252485173 277223154 /nfs/dbraw/zinc/22/31/54/277223154.db2.gz GOSGBBJZRAQKHY-JTQLQIEISA-N 1 0 271.348 2.517 50 0 CFAARO CC(C)CC[C@H](C)NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000084715248 277364406 /nfs/dbraw/zinc/36/44/06/277364406.db2.gz LYLHIANYVMSYEX-SOUVJXGZSA-N 1 0 281.444 2.689 50 0 CFAARO CC(C)CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000122588983 277366775 /nfs/dbraw/zinc/36/67/75/277366775.db2.gz UCBDFBULKJJKKJ-HUUCEWRRSA-N 1 0 266.429 2.803 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000067800797 277385467 /nfs/dbraw/zinc/38/54/67/277385467.db2.gz OVUVANOLOWCXBN-UHFFFAOYSA-N 1 0 256.390 2.632 50 0 CFAARO COC1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000130253638 277469733 /nfs/dbraw/zinc/46/97/33/277469733.db2.gz ZGGKJLOCBCQAKX-NEPJUHHUSA-N 1 0 295.345 2.893 50 0 CFAARO CC(C)c1cncnc1-c1cc(F)cc2c1O[C@@H](C[NH3+])C2 ZINC000067786203 278066866 /nfs/dbraw/zinc/06/68/66/278066866.db2.gz SROAKGQNEZKOAI-GFCCVEGCSA-N 1 0 287.338 2.668 50 0 CFAARO C[C@@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H](C)n1cccn1 ZINC000069417265 278341790 /nfs/dbraw/zinc/34/17/90/278341790.db2.gz KGHATYXIAXOYAS-KGLIPLIRSA-N 1 0 283.375 2.898 50 0 CFAARO CC(C)COc1ccc2c(c1)[C@@H](O)CC1(CC[NH2+]CC1)O2 ZINC000036141298 278930366 /nfs/dbraw/zinc/93/03/66/278930366.db2.gz LAKSTJVYNCNFOE-HNNXBMFYSA-N 1 0 291.391 2.660 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cccc1 ZINC000334160310 279334901 /nfs/dbraw/zinc/33/49/01/279334901.db2.gz AWRZSCOGKGAYJC-HOTGVXAUSA-N 1 0 291.439 2.676 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000063193122 279417657 /nfs/dbraw/zinc/41/76/57/279417657.db2.gz RZXNERDXYNSNPE-TVQRCGJNSA-N 1 0 284.762 2.821 50 0 CFAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCCC1 ZINC000000455565 279741133 /nfs/dbraw/zinc/74/11/33/279741133.db2.gz IINLAWYOYBNOJT-UHFFFAOYSA-N 1 0 272.392 2.521 50 0 CFAARO C[C@H]1OCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CC1 ZINC000090965277 280067659 /nfs/dbraw/zinc/06/76/59/280067659.db2.gz KMOYKGSKOPKFNX-ZWNOBZJWSA-N 1 0 267.319 2.763 50 0 CFAARO O=C1CCCN1CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000068333587 280251128 /nfs/dbraw/zinc/25/11/28/280251128.db2.gz OHLDXQSJLORDDW-KRWDZBQOSA-N 1 0 284.403 2.761 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])sc1C ZINC000087568438 280326886 /nfs/dbraw/zinc/32/68/86/280326886.db2.gz UHVFFWLXAIEMJF-JOYOIKCWSA-N 1 0 266.410 2.564 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)[C@@H](C)n2cccn2)o1 ZINC000069372227 280723197 /nfs/dbraw/zinc/72/31/97/280723197.db2.gz KZRZXZAYBXCIGL-CHWSQXEVSA-N 1 0 299.378 2.914 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@H]1C ZINC000247140746 281006551 /nfs/dbraw/zinc/00/65/51/281006551.db2.gz QWLFSMDGEIANED-AGIUHOORSA-N 1 0 262.401 2.844 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000255318965 281093567 /nfs/dbraw/zinc/09/35/67/281093567.db2.gz LFYWWBKHYBEJRQ-LJTDUEICSA-N 1 0 278.783 2.564 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C(F)(F)F ZINC000004020237 281127101 /nfs/dbraw/zinc/12/71/01/281127101.db2.gz BUKDWQICSAAFJH-YPMHNXCESA-N 1 0 298.308 2.692 50 0 CFAARO Cc1ccc2cc(C(=O)NC[C@H]3CC[N@@H+](C(C)C)C3)[nH]c2c1 ZINC000058181390 281140062 /nfs/dbraw/zinc/14/00/62/281140062.db2.gz JJSGFJNESVTDTK-CQSZACIVSA-N 1 0 299.418 2.936 50 0 CFAARO Cc1ccc2sc(N3CC[NH+](C)CC3)nc2c1C ZINC000012230069 281184435 /nfs/dbraw/zinc/18/44/35/281184435.db2.gz NWOKQUXUBHQVMS-UHFFFAOYSA-N 1 0 261.394 2.665 50 0 CFAARO CCn1nncc1C[NH2+][C@H](C)c1cc(C)sc1C ZINC000459387389 281260839 /nfs/dbraw/zinc/26/08/39/281260839.db2.gz CWQVLVIQCLXKBZ-SNVBAGLBSA-N 1 0 264.398 2.827 50 0 CFAARO Cc1csc2c1ncnc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000189978876 281745577 /nfs/dbraw/zinc/74/55/77/281745577.db2.gz XZATXOHPURNLRY-GFCCVEGCSA-N 1 0 288.420 2.674 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248656243 289742576 /nfs/dbraw/zinc/74/25/76/289742576.db2.gz WLNBUIOEOHPPRK-JUIVLLAYSA-N 1 0 279.449 2.925 50 0 CFAARO Fc1ccc([C@H](CNc2ncccn2)[NH+]2CCCC2)cc1 ZINC000091321514 294748255 /nfs/dbraw/zinc/74/82/55/294748255.db2.gz LMJVQNTWYHFBGC-HNNXBMFYSA-N 1 0 286.354 2.865 50 0 CFAARO [NH2+]=C(c1ccc(Br)cc1)N1CCCC1 ZINC000059924974 295023798 /nfs/dbraw/zinc/02/37/98/295023798.db2.gz VKPXOIYMDIOFLO-UHFFFAOYSA-N 1 0 253.143 2.870 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC000002451892 301377975 /nfs/dbraw/zinc/37/79/75/301377975.db2.gz SNPRMKLIRRPIMC-ZDUSSCGKSA-N 1 0 283.799 2.874 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1cnn(C)c1)N(C)C)CC2 ZINC000095422646 301910184 /nfs/dbraw/zinc/91/01/84/301910184.db2.gz LZRHHLIRALFAPR-MSOLQXFVSA-N 1 0 298.434 2.608 50 0 CFAARO CCN(C)C1(C[NH2+][C@H]2CCCSC2)CCCC1 ZINC000534584225 328311685 /nfs/dbraw/zinc/31/16/85/328311685.db2.gz QDWNRGIPLOMTAM-ZDUSSCGKSA-N 1 0 256.459 2.736 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)c2cncc(Cl)c2)CCCC1 ZINC000534649437 328343780 /nfs/dbraw/zinc/34/37/80/328343780.db2.gz ZPOLWORNGXAUAQ-UHFFFAOYSA-N 1 0 295.814 2.729 50 0 CFAARO Cc1cccc(N2CCC([NH2+]CCc3ncc[nH]3)CC2)c1C ZINC000534670147 328346962 /nfs/dbraw/zinc/34/69/62/328346962.db2.gz MFMJQAHKEULDRB-UHFFFAOYSA-N 1 0 298.434 2.828 50 0 CFAARO c1ccc(OCC2(C[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000534674687 328350650 /nfs/dbraw/zinc/35/06/50/328350650.db2.gz VORHYGJGDYOFNB-CQSZACIVSA-N 1 0 261.365 2.614 50 0 CFAARO O=C1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CCN1 ZINC000534676878 328351934 /nfs/dbraw/zinc/35/19/34/328351934.db2.gz IRAQFMLLBLQJLX-CYBMUJFWSA-N 1 0 278.783 2.587 50 0 CFAARO C[NH+](C)CC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000097101896 323617382 /nfs/dbraw/zinc/61/73/82/323617382.db2.gz RHFYYQSZQXBLBN-UHFFFAOYSA-N 1 0 282.343 2.560 50 0 CFAARO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1CO)CCCO2 ZINC000089466895 327170296 /nfs/dbraw/zinc/17/02/96/327170296.db2.gz RKVQQUXVHMWKSB-UHOFOFEASA-N 1 0 291.391 2.660 50 0 CFAARO Cc1ccc(C[NH+](C)C)cc1NC(=O)C1CC=CC1 ZINC000096451799 533866561 /nfs/dbraw/zinc/86/65/61/533866561.db2.gz TYQNEGCOQAXLEW-UHFFFAOYSA-N 1 0 258.365 2.961 50 0 CFAARO Cc1nc(C[N@@H+](C[C@@H](C)O)C2CCCCC2)cs1 ZINC000120645065 534348664 /nfs/dbraw/zinc/34/86/64/534348664.db2.gz MXFBETZOQWZWFI-LLVKDONJSA-N 1 0 268.426 2.967 50 0 CFAARO CCOc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)ccc1C ZINC000156296119 520657898 /nfs/dbraw/zinc/65/78/98/520657898.db2.gz JQPHWTCZMUVGNE-ZFWWWQNUSA-N 1 0 290.407 2.593 50 0 CFAARO CCc1ccc([C@H](C)[NH2+]C[C@@H](c2cnn(C)c2)N(C)C)o1 ZINC000096477921 524045480 /nfs/dbraw/zinc/04/54/80/524045480.db2.gz SQAZMTDMSSZNNT-WFASDCNBSA-N 1 0 290.411 2.529 50 0 CFAARO Cc1ccc(CCC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000262069048 524289524 /nfs/dbraw/zinc/28/95/24/524289524.db2.gz SGIWGKWBJMEFDB-INIZCTEOSA-N 1 0 288.435 2.822 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1cccc2cccnc21 ZINC000035259040 524778038 /nfs/dbraw/zinc/77/80/38/524778038.db2.gz GZKKZRUIDKNNLL-CYBMUJFWSA-N 1 0 266.348 2.610 50 0 CFAARO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1=CCCCC1 ZINC000245305027 524897964 /nfs/dbraw/zinc/89/79/64/524897964.db2.gz HQINMAFRBSYHGB-UKRRQHHQSA-N 1 0 264.413 2.676 50 0 CFAARO C[C@H]([NH2+]Cc1cccn1C)c1ccc2c(c1)OCO2 ZINC000050595369 525465487 /nfs/dbraw/zinc/46/54/87/525465487.db2.gz GHXHIFZYTUVMRG-NSHDSACASA-N 1 0 258.321 2.605 50 0 CFAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCN(C)C)o2)cc1 ZINC000019872361 525851603 /nfs/dbraw/zinc/85/16/03/525851603.db2.gz RYBLYPBCPMQXOB-ZDUSSCGKSA-N 1 0 288.391 2.651 50 0 CFAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000019871944 526020078 /nfs/dbraw/zinc/02/00/78/526020078.db2.gz CFQBWJYFTBZXFR-INIZCTEOSA-N 1 0 257.333 2.518 50 0 CFAARO CC(C)(C)OCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000096490444 526552994 /nfs/dbraw/zinc/55/29/94/526552994.db2.gz VZOBOOHWNAIGRE-ZDUSSCGKSA-N 1 0 292.427 2.608 50 0 CFAARO CC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000170602984 526901651 /nfs/dbraw/zinc/90/16/51/526901651.db2.gz FFWLPXVTHTUGHH-LRDDRELGSA-N 1 0 278.371 2.530 50 0 CFAARO Cc1nc2ccccc2cc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000156433238 527161191 /nfs/dbraw/zinc/16/11/91/527161191.db2.gz PUGJRUAHKRQRAK-WFASDCNBSA-N 1 0 297.402 2.743 50 0 CFAARO CC(C)CC[NH+]1CCN(c2nnc(C(F)F)s2)CC1 ZINC000096482690 527727830 /nfs/dbraw/zinc/72/78/30/527727830.db2.gz AEXTUOGVBSRKCQ-UHFFFAOYSA-N 1 0 290.383 2.644 50 0 CFAARO CSc1ccc(NC(=O)NC[C@@]2(C)CC[N@H+](C)C2)cc1 ZINC000952973392 617280467 /nfs/dbraw/zinc/28/04/67/617280467.db2.gz LEMWNNDGKLWBGA-OAHLLOKOSA-N 1 0 293.436 2.872 50 0 CFAARO CC(C)[NH+]1CCC(CC(=O)N2CCCC2(C)C)CC1 ZINC000952970753 614324946 /nfs/dbraw/zinc/32/49/46/614324946.db2.gz BSPBYTBBAJEXPV-UHFFFAOYSA-N 1 0 266.429 2.898 50 0 CFAARO CCC1(CC)CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000952980168 614678566 /nfs/dbraw/zinc/67/85/66/614678566.db2.gz WIVUPAWBAKPBBF-UHFFFAOYSA-N 1 0 266.429 2.901 50 0 CFAARO CC1=C(CC[N@@H+]2C[C@@H](O)[C@H](F)C2)C(C)(C)CCC1 ZINC000952990928 614968527 /nfs/dbraw/zinc/96/85/27/614968527.db2.gz KARDWADXNBDTTL-ZIAGYGMSSA-N 1 0 255.377 2.918 50 0 CFAARO CC[C@H](C(=O)N1CCC(CC)(CC)C1)[N@H+](C)CC ZINC000952979068 615600491 /nfs/dbraw/zinc/60/04/91/615600491.db2.gz QTPCOAYAMACMCB-CYBMUJFWSA-N 1 0 254.418 2.755 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000229475791 618247337 /nfs/dbraw/zinc/24/73/37/618247337.db2.gz VZOFCGUVUCUHGV-CVEARBPZSA-N 1 0 278.440 2.923 50 0 CFAARO CC(C)Oc1ccccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000095373721 618280023 /nfs/dbraw/zinc/28/00/23/618280023.db2.gz WUGDSBQZRUYGDK-UHFFFAOYSA-N 1 0 257.337 2.510 50 0 CFAARO Cc1cc(C[NH+]2CCC([C@@H](O)CC(C)C)CC2)nc(C)n1 ZINC000020516072 618805461 /nfs/dbraw/zinc/80/54/61/618805461.db2.gz ZTSFISCCIFNFOA-KRWDZBQOSA-N 1 0 291.439 2.712 50 0 CFAARO OCC[C@H](C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1 ZINC000888098966 619132430 /nfs/dbraw/zinc/13/24/30/619132430.db2.gz RZDXOOJZIKRJHG-RKTXRCNFSA-N 1 0 257.377 2.707 50 0 CFAARO Cc1cc(C[NH+](C)C)c(O)c(CCc2ccccc2)n1 ZINC000001227732 619349976 /nfs/dbraw/zinc/34/99/76/619349976.db2.gz AQURLPLITQIKJR-UHFFFAOYSA-N 1 0 270.376 2.942 50 0 CFAARO c1nc([C@H]2C[C@@H]2c2nc(-c3ccc4c(c3)CCO4)no2)c[nH]1 ZINC000874434766 624453328 /nfs/dbraw/zinc/45/33/28/624453328.db2.gz DEZCVDVRNFXLPT-RYUDHWBXSA-N 1 0 294.314 2.666 50 0 CFAARO Fc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000082504144 625738789 /nfs/dbraw/zinc/73/87/89/625738789.db2.gz DOZDWMKKCPTECL-AWEZNQCLSA-N 1 0 258.296 2.834 50 0 CFAARO CC(C)[NH2+][C@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000012094197 626239100 /nfs/dbraw/zinc/23/91/00/626239100.db2.gz WPAMOKSZYCXMIP-INIZCTEOSA-N 1 0 282.387 2.939 50 0 CFAARO C=CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000791304475 629298338 /nfs/dbraw/zinc/29/83/38/629298338.db2.gz DTAPKQDIAINXIF-UHFFFAOYSA-N 1 0 278.783 2.607 50 0 CFAARO CC1=NO[C@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)C1 ZINC000863950284 637821088 /nfs/dbraw/zinc/82/10/88/637821088.db2.gz JEZSZOADSJNLLY-ZDUSSCGKSA-N 1 0 286.335 2.636 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872031550 641561483 /nfs/dbraw/zinc/56/14/83/641561483.db2.gz QPPQCUYDGINZAO-OIISXLGYSA-N 1 0 287.403 2.726 50 0 CFAARO Nc1ncccc1C[NH2+]CCCn1ccc2ccccc21 ZINC000952983579 650792039 /nfs/dbraw/zinc/79/20/39/650792039.db2.gz VXYWEYRFDKTFFV-UHFFFAOYSA-N 1 0 280.375 2.798 50 0 CFAARO C[C@H]1CN(c2ncncc2Cl)CC[N@@H+]1C1CCCC1 ZINC000952992956 650792564 /nfs/dbraw/zinc/79/25/64/650792564.db2.gz DOIDBPMFNQGHAW-NSHDSACASA-N 1 0 280.803 2.583 50 0 CFAARO CCCO[C@@H]1CCCN(C[C@@H]2CCCCC[N@@H+]2C)C1 ZINC000019884781 651294917 /nfs/dbraw/zinc/29/49/17/651294917.db2.gz GRQMHXSSAHAFDW-JKSUJKDBSA-N 1 0 268.445 2.752 50 0 CFAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(N)=O)s1 ZINC000023430051 775430507 /nfs/dbraw/zinc/43/05/07/775430507.db2.gz QKEOVADXGITEAC-SNVBAGLBSA-N 1 0 252.383 2.640 50 0 CFAARO O[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3)C[C@@H]21 ZINC000675012186 775982366 /nfs/dbraw/zinc/98/23/66/775982366.db2.gz XWVKNSVXESWWEQ-BYCMXARLSA-N 1 0 267.319 2.558 50 0 CFAARO CCCC[C@H](CO)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000032500577 779008873 /nfs/dbraw/zinc/00/88/73/779008873.db2.gz BMCLEVFXTDDKFY-DZGCQCFKSA-N 1 0 265.397 2.854 50 0 CFAARO Cc1ccsc1[C@@H]1CC[N@@H+](C2CC=CC2)C[C@H]1O ZINC000065431509 780382226 /nfs/dbraw/zinc/38/22/26/780382226.db2.gz PXTSDSCFLBDLJD-ZIAGYGMSSA-N 1 0 263.406 2.925 50 0 CFAARO CC(C)c1cnc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)nc1 ZINC000822273331 781896121 /nfs/dbraw/zinc/89/61/21/781896121.db2.gz PTGPIFHNKOPJMZ-ZDUSSCGKSA-N 1 0 262.401 2.885 50 0 CFAARO Fc1ccc(NC(=S)NCC[NH+]2CCCCC2)cc1 ZINC000004750364 230369013 /nfs/dbraw/zinc/36/90/13/230369013.db2.gz DMDXFERDNSNZTI-UHFFFAOYSA-N 1 0 281.400 2.598 50 0 CFAARO C[C@@H](C[NH2+]Cc1ccc(CO)o1)c1nc2ccccc2o1 ZINC000096446422 230374802 /nfs/dbraw/zinc/37/48/02/230374802.db2.gz RLRSZNZKBHKXPT-NSHDSACASA-N 1 0 286.331 2.806 50 0 CFAARO COC[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C(C)C ZINC000096478134 230379989 /nfs/dbraw/zinc/37/99/89/230379989.db2.gz DONCMIGPTWZAGO-MRVPVSSYSA-N 1 0 282.331 2.923 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@H](C)c1cccc(-n2cncn2)c1 ZINC000096492331 230383103 /nfs/dbraw/zinc/38/31/03/230383103.db2.gz AGBQCZPQOMDOTA-LLVKDONJSA-N 1 0 297.362 2.723 50 0 CFAARO Cc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)o1 ZINC000122240195 230394435 /nfs/dbraw/zinc/39/44/35/230394435.db2.gz SFRUKAGMSGWLCZ-UHFFFAOYSA-N 1 0 264.369 2.630 50 0 CFAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126371676 230394505 /nfs/dbraw/zinc/39/45/05/230394505.db2.gz SGQWBJFSAMQYCH-JTQLQIEISA-N 1 0 293.436 2.543 50 0 CFAARO COc1ccc2c(c1)OC[C@H](Cc1c[nH+]c(N)c(C)c1)C2 ZINC000095529460 185005221 /nfs/dbraw/zinc/00/52/21/185005221.db2.gz UWBITAKDKXYSJN-CYBMUJFWSA-N 1 0 284.359 2.775 50 0 CFAARO Cc1ncccc1CNc1cnn(CC[NH+]2CCCCC2)c1 ZINC000095939231 185035546 /nfs/dbraw/zinc/03/55/46/185035546.db2.gz YTXVNORLFQRSTE-UHFFFAOYSA-N 1 0 299.422 2.685 50 0 CFAARO Cc1cnc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)s1 ZINC000095963813 185044141 /nfs/dbraw/zinc/04/41/41/185044141.db2.gz MFMREZWZWAZBIN-NSHDSACASA-N 1 0 289.404 2.958 50 0 CFAARO CC[C@@H]([NH2+]C[C@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000095968402 185046428 /nfs/dbraw/zinc/04/64/28/185046428.db2.gz OUGSISYMGVTNKZ-CVEARBPZSA-N 1 0 291.370 2.508 50 0 CFAARO C[C@@H](CSC(C)(C)C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095968459 185046887 /nfs/dbraw/zinc/04/68/87/185046887.db2.gz PAGNXIWMYKSZRW-QWRGUYRKSA-N 1 0 255.431 2.991 50 0 CFAARO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccco1 ZINC000095967165 185046907 /nfs/dbraw/zinc/04/69/07/185046907.db2.gz SPRFADHHCLEHAW-JTQLQIEISA-N 1 0 258.312 2.660 50 0 CFAARO COC[C@@H]([NH2+][C@H](C)c1cccc(-n2cccn2)c1)C1CC1 ZINC000095968790 185047401 /nfs/dbraw/zinc/04/74/01/185047401.db2.gz XNJPYRDDKLVDJW-CXAGYDPISA-N 1 0 285.391 2.948 50 0 CFAARO CCc1nncn1CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000095968736 185047653 /nfs/dbraw/zinc/04/76/53/185047653.db2.gz GJTWPFBHBFQUSY-CQSZACIVSA-N 1 0 290.798 2.771 50 0 CFAARO CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000095968896 185047835 /nfs/dbraw/zinc/04/78/35/185047835.db2.gz OMHKUXCJDIJRMU-SWLSCSKDSA-N 1 0 281.421 2.604 50 0 CFAARO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCS1 ZINC000095969267 185048133 /nfs/dbraw/zinc/04/81/33/185048133.db2.gz OZEWHCNUHFNCQV-HIFRSBDPSA-N 1 0 292.448 2.913 50 0 CFAARO C[C@H]1C[NH+](CCCCNc2ncccc2F)C[C@H](C)O1 ZINC000095970989 185048714 /nfs/dbraw/zinc/04/87/14/185048714.db2.gz WWUUVYCUZGGXRC-STQMWFEESA-N 1 0 281.375 2.522 50 0 CFAARO C[C@@H]1C[N@@H+](CCCCNc2ncccc2F)C[C@H](C)O1 ZINC000095970988 185048952 /nfs/dbraw/zinc/04/89/52/185048952.db2.gz WWUUVYCUZGGXRC-BETUJISGSA-N 1 0 281.375 2.522 50 0 CFAARO COc1cccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000095972681 185049392 /nfs/dbraw/zinc/04/93/92/185049392.db2.gz APVUGNCZZPYUEI-AWEZNQCLSA-N 1 0 271.364 2.798 50 0 CFAARO C[N@H+](CC(=O)NC1CC1)[C@H]1CCc2c1cccc2Cl ZINC000095978589 185052029 /nfs/dbraw/zinc/05/20/29/185052029.db2.gz IENZIGAQRKXAJD-AWEZNQCLSA-N 1 0 278.783 2.538 50 0 CFAARO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1ccncc1 ZINC000095978212 185052163 /nfs/dbraw/zinc/05/21/63/185052163.db2.gz RJNLUVIFUNWHAW-AAEUAGOBSA-N 1 0 262.378 2.745 50 0 CFAARO Cc1cc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1O ZINC000095979207 185052844 /nfs/dbraw/zinc/05/28/44/185052844.db2.gz UDHINFXEVWTDMG-XQQFMLRXSA-N 1 0 276.380 2.900 50 0 CFAARO OCC[C@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCOC1 ZINC000095985083 185055705 /nfs/dbraw/zinc/05/57/05/185055705.db2.gz KSWAKXQHLFUHKX-DLBZAZTESA-N 1 0 293.382 2.582 50 0 CFAARO CCS[C@@H]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000095990115 185057873 /nfs/dbraw/zinc/05/78/73/185057873.db2.gz LIMOVWBGTKVSEZ-CHWSQXEVSA-N 1 0 267.442 2.801 50 0 CFAARO CCC1([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CCC1 ZINC000095991494 185058434 /nfs/dbraw/zinc/05/84/34/185058434.db2.gz JUIIXENFYVRUJT-GFCCVEGCSA-N 1 0 271.368 2.646 50 0 CFAARO Cc1ccc(OCCN(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000124757610 187152287 /nfs/dbraw/zinc/15/22/87/187152287.db2.gz WEJKIQMPZFBUSL-MRXNPFEDSA-N 1 0 276.424 2.790 50 0 CFAARO Cc1cccc(CC2(NC(=O)C3(C)CC[NH2+]CC3)CC2)c1 ZINC000096140690 185105409 /nfs/dbraw/zinc/10/54/09/185105409.db2.gz ZZDBUOQRGDNOMA-UHFFFAOYSA-N 1 0 286.419 2.576 50 0 CFAARO CC[C@@H](C)[C@@H](CO)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000097015216 185152321 /nfs/dbraw/zinc/15/23/21/185152321.db2.gz SDLAOADDEYIHDV-ZWNOBZJWSA-N 1 0 268.426 2.907 50 0 CFAARO CC[C@H](C)[C@@H](CO)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000097015218 185152337 /nfs/dbraw/zinc/15/23/37/185152337.db2.gz SDLAOADDEYIHDV-GXFFZTMASA-N 1 0 268.426 2.907 50 0 CFAARO Cc1ccc([C@H](C)N(C)Cc2nccc(N)n2)s1 ZINC000097020573 185152859 /nfs/dbraw/zinc/15/28/59/185152859.db2.gz UIGFTXRVZUMAHE-JTQLQIEISA-N 1 0 262.382 2.622 50 0 CFAARO CNC(=O)CC[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C ZINC000097033617 185155814 /nfs/dbraw/zinc/15/58/14/185155814.db2.gz KYQVIULKRPPITR-AWEZNQCLSA-N 1 0 266.360 2.639 50 0 CFAARO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)cc1 ZINC000097033750 185156320 /nfs/dbraw/zinc/15/63/20/185156320.db2.gz DDCVZWQXMLAFKJ-SECBINFHSA-N 1 0 254.761 2.502 50 0 CFAARO CC[C@H](COC)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000096478781 529399023 /nfs/dbraw/zinc/39/90/23/529399023.db2.gz LFCLLVRYLDRGOZ-DZGCQCFKSA-N 1 0 273.380 2.948 50 0 CFAARO Cn1cccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000097035066 185157266 /nfs/dbraw/zinc/15/72/66/185157266.db2.gz DVNASVBIHIUCCY-HZPDHXFCSA-N 1 0 292.329 2.923 50 0 CFAARO CC(C)=CC[N@@H+](C)[C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000072276679 346925057 /nfs/dbraw/zinc/92/50/57/346925057.db2.gz AVZLLOSHKRONRN-HNNXBMFYSA-N 1 0 274.412 2.652 50 0 CFAARO COC1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CCOCC1 ZINC000127948837 187342470 /nfs/dbraw/zinc/34/24/70/187342470.db2.gz GVEKCLVVHFQXPN-UHFFFAOYSA-N 1 0 293.382 2.857 50 0 CFAARO C[C@H]([NH2+]CCC1OCCO1)c1nc(C(C)(C)C)cs1 ZINC000126900753 187269432 /nfs/dbraw/zinc/26/94/32/187269432.db2.gz WJJKSOROWVHXHT-JTQLQIEISA-N 1 0 284.425 2.854 50 0 CFAARO COC(=O)c1cc[n+](C)cc1SCc1ccccc1 ZINC000075261197 347062872 /nfs/dbraw/zinc/06/28/72/347062872.db2.gz MQBKCIRJFWNQOF-UHFFFAOYSA-N 1 0 274.365 2.590 50 0 CFAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc[nH]1 ZINC000075552050 347083907 /nfs/dbraw/zinc/08/39/07/347083907.db2.gz GUTFCOOCBIJKQO-UHFFFAOYSA-N 1 0 282.387 2.830 50 0 CFAARO Clc1cnc(NCC[NH2+]Cc2ccncc2)c(Cl)c1 ZINC000084047014 178778239 /nfs/dbraw/zinc/77/82/39/178778239.db2.gz VIRFLWLRTCPYFM-UHFFFAOYSA-N 1 0 297.189 2.985 50 0 CFAARO CC(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CCC[C@H]21 ZINC000075566911 347085489 /nfs/dbraw/zinc/08/54/89/347085489.db2.gz GHVDXGOQIROAKN-HUUCEWRRSA-N 1 0 258.365 2.539 50 0 CFAARO COc1ccc(OC)c(CC[NH2+][C@H]2CCCSC2)c1 ZINC000097084508 185526279 /nfs/dbraw/zinc/52/62/79/185526279.db2.gz LFKNMRJFLDYYCR-ZDUSSCGKSA-N 1 0 281.421 2.732 50 0 CFAARO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000072236002 539464204 /nfs/dbraw/zinc/46/42/04/539464204.db2.gz BWBNAHOSDQEWRC-WBMJQRKESA-N 1 0 274.339 2.737 50 0 CFAARO Cc1cccn2cc(C[NH2+][C@H](C)[C@H](C)n3cccn3)nc12 ZINC000075606822 347086677 /nfs/dbraw/zinc/08/66/77/347086677.db2.gz WPGREUMKBZEQGF-KGLIPLIRSA-N 1 0 283.379 2.579 50 0 CFAARO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1CCOC(C)C ZINC000075605071 347086724 /nfs/dbraw/zinc/08/67/24/347086724.db2.gz ZLKCAAHXKHPMQC-LBPRGKRZSA-N 1 0 285.819 2.944 50 0 CFAARO CC(=O)N1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000076093763 539484578 /nfs/dbraw/zinc/48/45/78/539484578.db2.gz HBFOTCYGQVXUCL-KRWDZBQOSA-N 1 0 272.392 2.618 50 0 CFAARO COc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1 ZINC000127504054 187312009 /nfs/dbraw/zinc/31/20/09/187312009.db2.gz SIZSDKIFETZTFR-OAHLLOKOSA-N 1 0 271.364 2.670 50 0 CFAARO NC(=O)[C@H]1CCC[N@@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000000757709 346205821 /nfs/dbraw/zinc/20/58/21/346205821.db2.gz MIXLSCIIKYNRLB-CGZBRXJRSA-N 1 0 286.419 2.910 50 0 CFAARO CCOC(OCC)[P@@](=O)(C[NH+](CC)CC)OCC ZINC000003160270 346207832 /nfs/dbraw/zinc/20/78/32/346207832.db2.gz JZRAVJNIFGYBNQ-GOSISDBHSA-N 1 0 281.333 2.957 50 0 CFAARO CCOc1ccc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc1 ZINC000004832593 346210305 /nfs/dbraw/zinc/21/03/05/346210305.db2.gz BFTBGHJUBQUVCU-SFKKXYGYSA-N 1 0 259.349 2.513 50 0 CFAARO CN1CC[C@@H]([NH2+]C2CCCCCCC2)CCC1=O ZINC000012278600 346230900 /nfs/dbraw/zinc/23/09/00/346230900.db2.gz ZCKLEMNIRZQLNH-AWEZNQCLSA-N 1 0 252.402 2.700 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1C ZINC000008552897 346224634 /nfs/dbraw/zinc/22/46/34/346224634.db2.gz CGXFLSFZVZZFFI-CVEARBPZSA-N 1 0 277.408 2.918 50 0 CFAARO Cc1ccc(C(C)C)cc1OCCCC[NH2+]CCN ZINC000039960863 346344966 /nfs/dbraw/zinc/34/49/66/346344966.db2.gz BPSHCXHBVABUSQ-UHFFFAOYSA-N 1 0 264.413 2.826 50 0 CFAARO [NH3+]C1CC(c2cc(N3CCCCC3)nc(C3CC3)n2)C1 ZINC000220204709 136583333 /nfs/dbraw/zinc/58/33/33/136583333.db2.gz AEHHSYVWICLOGH-UHFFFAOYSA-N 1 0 272.396 2.549 50 0 CFAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1 ZINC000076056485 347115930 /nfs/dbraw/zinc/11/59/30/347115930.db2.gz ORRGCMLJAALSQA-KEYYUXOJSA-N 1 0 286.419 2.984 50 0 CFAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000076057860 347117520 /nfs/dbraw/zinc/11/75/20/347117520.db2.gz BTYKJYZJTHYAEC-GWCFXTLKSA-N 1 0 296.798 2.670 50 0 CFAARO COc1cccc(C[NH2+]CCNc2cccc(C)n2)c1 ZINC000079061189 347287095 /nfs/dbraw/zinc/28/70/95/347287095.db2.gz HHXZYMJQZBBGME-UHFFFAOYSA-N 1 0 271.364 2.600 50 0 CFAARO CC[NH2+]C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000725244052 539558088 /nfs/dbraw/zinc/55/80/88/539558088.db2.gz NCQQUKCVJRAIJL-TXEJJXNPSA-N 1 0 256.390 2.679 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000084133228 347457113 /nfs/dbraw/zinc/45/71/13/347457113.db2.gz FHZMGHXXMSRIIY-YOEHRIQHSA-N 1 0 274.408 2.650 50 0 CFAARO COc1cc([C@H](C)[NH2+]Cc2cc[nH]c2)cc(OC)c1OC ZINC000086251000 179256041 /nfs/dbraw/zinc/25/60/41/179256041.db2.gz PWPRJBREKWTDIS-NSHDSACASA-N 1 0 290.363 2.891 50 0 CFAARO Cc1ccsc1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000094876356 347697040 /nfs/dbraw/zinc/69/70/40/347697040.db2.gz FFZNRQSQRUTHAQ-HNNXBMFYSA-N 1 0 286.400 2.560 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](CC)[C@@H]1C ZINC000095882810 347698810 /nfs/dbraw/zinc/69/88/10/347698810.db2.gz KGSIZJJFTPHZGH-CJNGLKHVSA-N 1 0 261.365 2.949 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@@H]1CC ZINC000095882805 347699204 /nfs/dbraw/zinc/69/92/04/347699204.db2.gz UOTCUJGGSUJBJM-GDBMZVCRSA-N 1 0 261.365 2.949 50 0 CFAARO CC(C)(C)OC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000095987306 347699644 /nfs/dbraw/zinc/69/96/44/347699644.db2.gz JTSGKUCIMRKQHK-DLBZAZTESA-N 1 0 289.419 2.924 50 0 CFAARO CCOC(=O)[C@@H](C1CCCCC1)[NH+]1CCCCC1 ZINC000096026396 347700394 /nfs/dbraw/zinc/70/03/94/347700394.db2.gz QEUVJRIXPXLCIB-CQSZACIVSA-N 1 0 253.386 2.984 50 0 CFAARO C[C@@H]1Oc2ccccc2[C@@H]([NH2+]Cc2ccccc2)[C@@H]1O ZINC000096027889 347700531 /nfs/dbraw/zinc/70/05/31/347700531.db2.gz BXDXXMHVUIZCKR-JCURWCKSSA-N 1 0 269.344 2.659 50 0 CFAARO O=S(=O)(CC[NH+]1CC2CCC(CC2)C1)c1ccccc1 ZINC000096027424 347700683 /nfs/dbraw/zinc/70/06/83/347700683.db2.gz BYMPMPJSCXEKJX-UHFFFAOYSA-N 1 0 293.432 2.582 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+]CC1(O)CCSCC1 ZINC000097095406 347706974 /nfs/dbraw/zinc/70/69/74/347706974.db2.gz REBWJYCAZUQISX-CYBMUJFWSA-N 1 0 295.448 2.561 50 0 CFAARO Cc1ccc(C[NH2+]C2(C(=O)NCC3CC3)CCCC2)o1 ZINC000097102499 347707209 /nfs/dbraw/zinc/70/72/09/347707209.db2.gz ZWZIEGVTQUUVQO-UHFFFAOYSA-N 1 0 276.380 2.517 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC1(C)OCCO1 ZINC000097098936 347707219 /nfs/dbraw/zinc/70/72/19/347707219.db2.gz FQMXAJMVZDUGTG-ZIAGYGMSSA-N 1 0 253.386 2.722 50 0 CFAARO C[C@@H]1CC([NH2+]CCC(=O)NCc2ccncc2)C[C@@H](C)C1 ZINC000097229321 347707850 /nfs/dbraw/zinc/70/78/50/347707850.db2.gz ZYJAYWVYPDELHD-KBPBESRZSA-N 1 0 289.423 2.502 50 0 CFAARO C[C@H](CCc1ccccc1F)[NH2+]Cc1ccnn1C ZINC000097228285 347707880 /nfs/dbraw/zinc/70/78/80/347707880.db2.gz JMKRYAPYZMKBGE-GFCCVEGCSA-N 1 0 261.344 2.670 50 0 CFAARO CC(=O)Nc1cccc(OCC[NH2+][C@H]2CCCSC2)c1 ZINC000097370993 347708491 /nfs/dbraw/zinc/70/84/91/347708491.db2.gz KYOYWRBTRPIQBE-AWEZNQCLSA-N 1 0 294.420 2.509 50 0 CFAARO COc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000097371029 347708600 /nfs/dbraw/zinc/70/86/00/347708600.db2.gz YRGYODMQTAPIKY-UXIGCNINSA-N 1 0 281.421 2.602 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1nnc2ccccn21 ZINC000133953680 347894979 /nfs/dbraw/zinc/89/49/79/347894979.db2.gz NIGRNIMYOVEBMV-GJZGRUSLSA-N 1 0 284.407 2.854 50 0 CFAARO CC(C)c1c(-c2ccccc2)[n+](=O)c2c(n1O)CCC2 ZINC000136941832 347911499 /nfs/dbraw/zinc/91/14/99/347911499.db2.gz NKCCXVHRFBWGFR-UHFFFAOYSA-N 1 0 271.340 2.919 50 0 CFAARO COC1(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CCOCC1 ZINC000152649552 347969633 /nfs/dbraw/zinc/96/96/33/347969633.db2.gz GVFAYDHCGGXFQA-CABCVRRESA-N 1 0 267.413 2.764 50 0 CFAARO CC[C@@H](NC(=O)C[NH2+]C)c1ccc(OC2CCCC2)cc1 ZINC000157315862 347999681 /nfs/dbraw/zinc/99/96/81/347999681.db2.gz NQAKQIVBRHUQBK-MRXNPFEDSA-N 1 0 290.407 2.795 50 0 CFAARO Cc1cccc2[nH]c(CNC3CC[NH+](C(C)C)CC3)nc21 ZINC000170073608 348053358 /nfs/dbraw/zinc/05/33/58/348053358.db2.gz HBSFFXYRZVNPRW-UHFFFAOYSA-N 1 0 286.423 2.834 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000170054405 348053447 /nfs/dbraw/zinc/05/34/47/348053447.db2.gz JMCFXHHLYIXCKQ-UHFFFAOYSA-N 1 0 275.400 2.576 50 0 CFAARO C[C@H](O)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000170088006 348053590 /nfs/dbraw/zinc/05/35/90/348053590.db2.gz SACXFDXVDRUABA-GOEBONIOSA-N 1 0 281.440 2.961 50 0 CFAARO CC[C@@H](C)C[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000170659233 348058334 /nfs/dbraw/zinc/05/83/34/348058334.db2.gz RPQMABYFLGFNOE-OAHLLOKOSA-N 1 0 276.424 2.859 50 0 CFAARO O=C(NCCC[NH+]1Cc2ccccc2C1)[C@@H]1CC=CCC1 ZINC000170640309 348058406 /nfs/dbraw/zinc/05/84/06/348058406.db2.gz SGEKYVKNMDWJOU-OAHLLOKOSA-N 1 0 284.403 2.865 50 0 CFAARO Cc1ccc(C[NH2+][C@@H](C)C2CC2)c(N2CCCC2)n1 ZINC000195557263 348145951 /nfs/dbraw/zinc/14/59/51/348145951.db2.gz NVQKIPDRLJBZDZ-ZDUSSCGKSA-N 1 0 259.397 2.878 50 0 CFAARO c1ccc(-c2nnc(CC[NH2+][C@H]3CCCSC3)o2)cc1 ZINC000195558700 348146223 /nfs/dbraw/zinc/14/62/23/348146223.db2.gz GKHHLOFLGDPRFI-ZDUSSCGKSA-N 1 0 289.404 2.764 50 0 CFAARO CC(C)(C[NH2+][C@H]1CCCSc2ccccc21)C(N)=O ZINC000195558801 348146224 /nfs/dbraw/zinc/14/62/24/348146224.db2.gz QWQGPWJQKDTPEB-LBPRGKRZSA-N 1 0 278.421 2.715 50 0 CFAARO CCC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1nnc2ccccn21 ZINC000225584338 348178440 /nfs/dbraw/zinc/17/84/40/348178440.db2.gz VHCXXNPGDSJSIY-ZIAGYGMSSA-N 1 0 286.379 2.853 50 0 CFAARO C[NH2+]CC(=O)Nc1cccc(-c2c(F)cccc2F)c1 ZINC000225635361 348179239 /nfs/dbraw/zinc/17/92/39/348179239.db2.gz QADPXGVWQSSZBX-UHFFFAOYSA-N 1 0 276.286 2.790 50 0 CFAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2C[C@@H](O)c2ccccc2)c1 ZINC000229487465 348202098 /nfs/dbraw/zinc/20/20/98/348202098.db2.gz GSGHZOICZLKUNR-ZWKOTPCHSA-N 1 0 299.418 2.780 50 0 CFAARO C[C@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)[C@H]1CCCO1 ZINC000248633588 348275153 /nfs/dbraw/zinc/27/51/53/348275153.db2.gz XEEVDPXQXAJULD-CYZMBNFOSA-N 1 0 282.409 2.652 50 0 CFAARO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000253370790 348300898 /nfs/dbraw/zinc/30/08/98/348300898.db2.gz WEJDQLLTRKFMFB-AXFHLTTASA-N 1 0 280.334 2.612 50 0 CFAARO C[C@H](C(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1)C(C)(C)C ZINC000725264713 539621753 /nfs/dbraw/zinc/62/17/53/539621753.db2.gz MBUKSRMQJFTQMP-SNVBAGLBSA-N 1 0 294.361 2.798 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000409421109 348600319 /nfs/dbraw/zinc/60/03/19/348600319.db2.gz JGSGOMLXRSZSEI-CQSZACIVSA-N 1 0 285.347 2.749 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000409421088 348600358 /nfs/dbraw/zinc/60/03/58/348600358.db2.gz GLMRKYVXKJHFAV-MRXNPFEDSA-N 1 0 283.375 2.516 50 0 CFAARO COc1ccc(Cn2ccc3c2[nH+]ccc3N)cc1 ZINC000514264275 348639899 /nfs/dbraw/zinc/63/98/99/348639899.db2.gz YEKDJPFDZPTODT-UHFFFAOYSA-N 1 0 253.305 2.675 50 0 CFAARO CCc1nccn1C[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000584887653 348727529 /nfs/dbraw/zinc/72/75/29/348727529.db2.gz KRRGCLVZEOVTMU-OAHLLOKOSA-N 1 0 292.471 2.688 50 0 CFAARO c1ccc2oc(CC[NH2+]C3CSCCSC3)nc2c1 ZINC000584888444 348728057 /nfs/dbraw/zinc/72/80/57/348728057.db2.gz NXOWVDKYBZLLGB-UHFFFAOYSA-N 1 0 294.445 2.809 50 0 CFAARO CCSC[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000584890472 348728293 /nfs/dbraw/zinc/72/82/93/348728293.db2.gz ORVNGVPJPRGHMC-GFCCVEGCSA-N 1 0 263.410 2.608 50 0 CFAARO Cn1c(C[NH2+]C2CSCCSC2)nc2ccccc21 ZINC000584889529 348728404 /nfs/dbraw/zinc/72/84/04/348728404.db2.gz KAJDZOJRBUZEDD-UHFFFAOYSA-N 1 0 293.461 2.512 50 0 CFAARO C([NH2+][C@H]1CCSC1)C1(N2CCOCC2)CCCCCC1 ZINC000584892598 348728891 /nfs/dbraw/zinc/72/88/91/348728891.db2.gz KOTBBAZJMBNUJG-HNNXBMFYSA-N 1 0 298.496 2.507 50 0 CFAARO CCN1CC[C@H]([NH2+]C2CCN(c3cccc(C)c3)CC2)C1 ZINC000584892482 348729144 /nfs/dbraw/zinc/72/91/44/348729144.db2.gz PJJHROFPFASYBJ-KRWDZBQOSA-N 1 0 287.451 2.648 50 0 CFAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@@H]1CCOC1 ZINC000584895021 348730332 /nfs/dbraw/zinc/73/03/32/348730332.db2.gz COBPDQQPELJHAS-LLVKDONJSA-N 1 0 280.318 2.676 50 0 CFAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)C1CC=CC1 ZINC000584898507 348731116 /nfs/dbraw/zinc/73/11/16/348731116.db2.gz UAOPAEUPOVHYNP-UHFFFAOYSA-N 1 0 276.424 2.868 50 0 CFAARO C[C@@H](CCC(=O)N(C)Cc1cccc(O)c1)[NH+]1CCCC1 ZINC000584899409 348731813 /nfs/dbraw/zinc/73/18/13/348731813.db2.gz GDOIUXJONXSOJW-AWEZNQCLSA-N 1 0 290.407 2.615 50 0 CFAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc(Cl)c1 ZINC000584903179 348732656 /nfs/dbraw/zinc/73/26/56/348732656.db2.gz YLBVRPYFMNOCHG-CHWSQXEVSA-N 1 0 284.762 2.692 50 0 CFAARO CC(=O)c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)n(C)c1 ZINC000584902240 348732971 /nfs/dbraw/zinc/73/29/71/348732971.db2.gz DMFMCCTUTBFNPG-UHFFFAOYSA-N 1 0 290.407 2.620 50 0 CFAARO CC(C)=CCC[C@@H](C)CC[NH+](C[C@H](C)O)C[C@H](C)O ZINC000584904313 348733777 /nfs/dbraw/zinc/73/37/77/348733777.db2.gz HIJOMHQVKSILEM-PMPSAXMXSA-N 1 0 271.445 2.823 50 0 CFAARO C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1noc2c1CCCC2 ZINC000585136596 348736469 /nfs/dbraw/zinc/73/64/69/348736469.db2.gz MHWKXWOATHSDCN-MAZHCROVSA-N 1 0 288.391 2.601 50 0 CFAARO C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1noc2c1CCCC2 ZINC000585136597 348736579 /nfs/dbraw/zinc/73/65/79/348736579.db2.gz MHWKXWOATHSDCN-RCBQFDQVSA-N 1 0 288.391 2.601 50 0 CFAARO CCSC[C@@H](C)[N@H+](C)CCn1nc(C)cc1C ZINC000823421467 781928411 /nfs/dbraw/zinc/92/84/11/781928411.db2.gz LIHCKURLVCLPRH-CYBMUJFWSA-N 1 0 255.431 2.573 50 0 CFAARO Cc1c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2)cnn1C ZINC000090888152 180053611 /nfs/dbraw/zinc/05/36/11/180053611.db2.gz MEGDQAMKHLYLGJ-VIFPVBQESA-N 1 0 265.307 2.858 50 0 CFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000091270153 180117673 /nfs/dbraw/zinc/11/76/73/180117673.db2.gz AGSKZTIZWLANHW-CQSZACIVSA-N 1 0 299.418 2.869 50 0 CFAARO CCC[C@@H](CNc1nc(C)nc(C)c1C)[NH+](C)C ZINC000091425865 180152069 /nfs/dbraw/zinc/15/20/69/180152069.db2.gz APDYRQCZRYMXQX-ZDUSSCGKSA-N 1 0 250.390 2.544 50 0 CFAARO Cc1cccc(CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C2CC2)c1 ZINC000091545911 180186690 /nfs/dbraw/zinc/18/66/90/180186690.db2.gz QEQREERQSJFVOG-HUUCEWRRSA-N 1 0 272.392 2.613 50 0 CFAARO Cc1cccc(C[N@@H+]2CCC[C@@](CO)(CC3CC3)C2)n1 ZINC000091707436 180231157 /nfs/dbraw/zinc/23/11/57/180231157.db2.gz NFLQMNNDAUOERO-QGZVFWFLSA-N 1 0 274.408 2.765 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@@H](C)CCc2ccc(O)cc2)n1 ZINC000105433066 186056830 /nfs/dbraw/zinc/05/68/30/186056830.db2.gz QYMWBEAGUKJNTB-LBPRGKRZSA-N 1 0 286.375 2.912 50 0 CFAARO c1cnc(NCCC2CC[NH+](C3CCCC3)CC2)nc1 ZINC000091726094 180242432 /nfs/dbraw/zinc/24/24/32/180242432.db2.gz ZEGHITKQBXKLMI-UHFFFAOYSA-N 1 0 274.412 2.933 50 0 CFAARO CC[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(C)ccc1OC ZINC000091732712 180243195 /nfs/dbraw/zinc/24/31/95/180243195.db2.gz RTDWOXXQYJHYLS-ZBFHGGJFSA-N 1 0 295.448 2.912 50 0 CFAARO O=C(C[C@H]1CCc2ccccc21)NCC12CCC[NH+]1CCC2 ZINC000091952147 180291721 /nfs/dbraw/zinc/29/17/21/180291721.db2.gz UGCDIZRUUYRUPX-MRXNPFEDSA-N 1 0 298.430 2.851 50 0 CFAARO [NH3+]CCc1cccc(C[C@H]2COc3ccccc3C2)c1 ZINC000091998048 180303166 /nfs/dbraw/zinc/30/31/66/180303166.db2.gz DAJCOXKSZHFHIR-MRXNPFEDSA-N 1 0 267.372 2.982 50 0 CFAARO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C3CC3)C2)sc1C ZINC000092022851 180308321 /nfs/dbraw/zinc/30/83/21/180308321.db2.gz ZIVAJIABUSBNHA-KGLIPLIRSA-N 1 0 292.448 2.777 50 0 CFAARO [NH3+][C@H]1CN(Cc2c[nH]nc2C2CCCCC2)C[C@@H]1C1CC1 ZINC000092022812 180308484 /nfs/dbraw/zinc/30/84/84/180308484.db2.gz PKEPTGQNKFVRFL-CVEARBPZSA-N 1 0 288.439 2.627 50 0 CFAARO CCC[C@]1(CO)CCC[N@H+](Cc2cncn2CC(C)C)C1 ZINC000092028706 180309739 /nfs/dbraw/zinc/30/97/39/180309739.db2.gz VSZJFYORHKCJFB-KRWDZBQOSA-N 1 0 293.455 2.914 50 0 CFAARO c1ccc([C@H]2CCC[N@@H+](CCNc3ccncn3)C2)cc1 ZINC000092098451 180324930 /nfs/dbraw/zinc/32/49/30/180324930.db2.gz SWKPZZLRKVECGD-INIZCTEOSA-N 1 0 282.391 2.768 50 0 CFAARO Cn1cnnc1C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000105796738 186071697 /nfs/dbraw/zinc/07/16/97/186071697.db2.gz CKYRKRMBFKWITN-UHFFFAOYSA-N 1 0 296.827 2.910 50 0 CFAARO CCc1ccc(C[N@@H+]2C[C@@H](C)[C@](O)(C3CCC3)C2)nc1 ZINC000092062476 180316208 /nfs/dbraw/zinc/31/62/08/180316208.db2.gz CRBRIZXTHSBJRQ-DYVFJYSZSA-N 1 0 274.408 2.627 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cccs2)CC[C@@]1(O)C1CCOCC1 ZINC000092066874 180316595 /nfs/dbraw/zinc/31/65/95/180316595.db2.gz ZXSZGLQMMGBXKJ-CJNGLKHVSA-N 1 0 295.448 2.748 50 0 CFAARO c1cnn(CC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000105886462 186084087 /nfs/dbraw/zinc/08/40/87/186084087.db2.gz IQPPBGAUPQLNRD-UHFFFAOYSA-N 1 0 269.392 2.838 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H](C)c3cccnc3)C2)n1 ZINC000106783368 186135571 /nfs/dbraw/zinc/13/55/71/186135571.db2.gz IWSXWDNJFXYTTL-CJNGLKHVSA-N 1 0 299.422 2.763 50 0 CFAARO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2CO)cc1OC ZINC000092470736 180392993 /nfs/dbraw/zinc/39/29/93/180392993.db2.gz WAGWUEPUMUCDQJ-GFCCVEGCSA-N 1 0 299.798 2.704 50 0 CFAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000107493189 186175617 /nfs/dbraw/zinc/17/56/17/186175617.db2.gz PDSAWJSLCPKGPZ-RYUDHWBXSA-N 1 0 295.814 2.585 50 0 CFAARO C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)[C@H]1CO ZINC000107533002 186177446 /nfs/dbraw/zinc/17/74/46/186177446.db2.gz SMJLIBIQRQRUES-WBMJQRKESA-N 1 0 288.366 2.967 50 0 CFAARO c1cc(C[NH2+]CCCc2c[nH]c3ccccc23)n[nH]1 ZINC000107714073 186188531 /nfs/dbraw/zinc/18/85/31/186188531.db2.gz ZUISPGXCWGXUGW-UHFFFAOYSA-N 1 0 254.337 2.613 50 0 CFAARO CCOC(=O)c1cccc(Oc2ncccc2C[NH3+])c1 ZINC000601014828 350645445 /nfs/dbraw/zinc/64/54/45/350645445.db2.gz WELNYQGOORMZAP-UHFFFAOYSA-N 1 0 272.304 2.509 50 0 CFAARO CS[C@@H]1CC[C@@H]([N@H+](C)CCc2ccccn2)C1 ZINC000110641757 186309326 /nfs/dbraw/zinc/30/93/26/186309326.db2.gz DDVOAZYJRPWPPT-ZIAGYGMSSA-N 1 0 250.411 2.840 50 0 CFAARO C[NH2+]CC1CCN(C(=O)/C=C\c2ccc(C)cc2C)CC1 ZINC000606441603 351269982 /nfs/dbraw/zinc/26/99/82/351269982.db2.gz QBXIMDVQYIALTN-SREVYHEPSA-N 1 0 286.419 2.775 50 0 CFAARO C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000606441613 351270203 /nfs/dbraw/zinc/27/02/03/351270203.db2.gz RVELEAURWSOQLH-TZIQTHSXSA-N 1 0 276.355 2.567 50 0 CFAARO C[C@](O)(C[NH2+]C[C@H]1CC=CCC1)c1ccsc1 ZINC000123476775 187094686 /nfs/dbraw/zinc/09/46/86/187094686.db2.gz DWGZOIBEXMTOAZ-JSGCOSHPSA-N 1 0 251.395 2.902 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccccn1 ZINC000048375468 539933947 /nfs/dbraw/zinc/93/39/47/539933947.db2.gz FEENIKXVTVDOFT-GFCCVEGCSA-N 1 0 297.337 2.652 50 0 CFAARO C[C@@H]([NH3+])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000157833803 188341583 /nfs/dbraw/zinc/34/15/83/188341583.db2.gz YTVGIQLIRPPNBU-SNVBAGLBSA-N 1 0 298.839 2.770 50 0 CFAARO O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000293006653 198493975 /nfs/dbraw/zinc/49/39/75/198493975.db2.gz DHWQJJRSWYDYQB-GFCCVEGCSA-N 1 0 257.736 2.826 50 0 CFAARO C=CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000685940201 540021276 /nfs/dbraw/zinc/02/12/76/540021276.db2.gz XOTLHOLUVAOQIM-IUODEOHRSA-N 1 0 278.783 2.635 50 0 CFAARO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CN1C ZINC000685939802 540020811 /nfs/dbraw/zinc/02/08/11/540020811.db2.gz NULNFUOUPJZLHE-BZUAXINKSA-N 1 0 298.434 2.766 50 0 CFAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000685939767 540020901 /nfs/dbraw/zinc/02/09/01/540020901.db2.gz YNFCDEDDAJWDDE-MRTXSQPYSA-N 1 0 267.438 2.818 50 0 CFAARO CC1(C)CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)C1 ZINC000685939790 540020920 /nfs/dbraw/zinc/02/09/20/540020920.db2.gz JNWUIPRLSBWYKX-ZIAGYGMSSA-N 1 0 264.413 2.556 50 0 CFAARO Fc1cnccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000095502446 283040008 /nfs/dbraw/zinc/04/00/08/283040008.db2.gz MCRCKMMNBAPVLA-UHFFFAOYSA-N 1 0 263.360 2.675 50 0 CFAARO [NH3+]C1(C(=O)Nc2ccc3scnc3c2)CCCC1 ZINC000178033027 540086926 /nfs/dbraw/zinc/08/69/26/540086926.db2.gz FAAPEKCQTGHSRS-UHFFFAOYSA-N 1 0 261.350 2.506 50 0 CFAARO O=C1CCCN1C[C@@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000078486069 540159627 /nfs/dbraw/zinc/15/96/27/540159627.db2.gz SDZAYFLECIIIMK-QGZVFWFLSA-N 1 0 295.386 2.535 50 0 CFAARO Cc1ccoc1C[NH2+][C@H]1CCN(C(=O)C(C)C)C[C@@H]1C ZINC000084251190 540197922 /nfs/dbraw/zinc/19/79/22/540197922.db2.gz GVYFMJCPTYZEBP-KBPBESRZSA-N 1 0 278.396 2.571 50 0 CFAARO Cc1ccoc1C[NH2+][C@@H]1CCN(C(=O)C(C)C)C[C@H]1C ZINC000084251196 540198043 /nfs/dbraw/zinc/19/80/43/540198043.db2.gz GVYFMJCPTYZEBP-ZIAGYGMSSA-N 1 0 278.396 2.571 50 0 CFAARO Cc1cc(C[C@H](C)[NH2+]C2CCOCC2)n(-c2ccccc2)n1 ZINC000090602177 540368813 /nfs/dbraw/zinc/36/88/13/540368813.db2.gz QMNYFVQCNCBGOK-AWEZNQCLSA-N 1 0 299.418 2.880 50 0 CFAARO CC(C)c1nc(CN[C@@H]2CC[C@H]([NH+](C)C)C2)cs1 ZINC000092846727 540412238 /nfs/dbraw/zinc/41/22/38/540412238.db2.gz OCTSAYSBJBBMOO-YPMHNXCESA-N 1 0 267.442 2.839 50 0 CFAARO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cccnc1 ZINC000092747810 540412582 /nfs/dbraw/zinc/41/25/82/540412582.db2.gz JZQRZTQYJDFMCL-RDTXWAMCSA-N 1 0 282.387 2.956 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(F)cc(F)c2)N1 ZINC000004632321 283409833 /nfs/dbraw/zinc/40/98/33/283409833.db2.gz RODXGCXYVWBKOI-CYBMUJFWSA-N 1 0 299.284 2.602 50 0 CFAARO Cc1cc(N2CCC(CNC(=O)C(C)(C)C)CC2)cc[nH+]1 ZINC000239593110 540561768 /nfs/dbraw/zinc/56/17/68/540561768.db2.gz DPUWDEJIOAHDKP-UHFFFAOYSA-N 1 0 289.423 2.769 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000122311234 283472765 /nfs/dbraw/zinc/47/27/65/283472765.db2.gz JKHFDNANDYEECY-NSHDSACASA-N 1 0 273.163 2.557 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000238046919 283509143 /nfs/dbraw/zinc/50/91/43/283509143.db2.gz YGZMGFYASNRVAZ-SSDOTTSWSA-N 1 0 291.153 2.696 50 0 CFAARO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cncn1C ZINC000177044199 189024220 /nfs/dbraw/zinc/02/42/20/189024220.db2.gz YSWYUFQZHFGOLZ-HNNXBMFYSA-N 1 0 271.364 2.766 50 0 CFAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CCCc3sccc32)C1 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CC(C)=CCC[C@H](C)[NH2+]CCN1CCCCC1=O ZINC000670449514 540998347 /nfs/dbraw/zinc/99/83/47/540998347.db2.gz JRMDHWVULWRKPL-AWEZNQCLSA-N 1 0 252.402 2.723 50 0 CFAARO CCCOC[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000670448962 540998363 /nfs/dbraw/zinc/99/83/63/540998363.db2.gz BROLDHYRRCQITL-GFCCVEGCSA-N 1 0 285.819 2.630 50 0 CFAARO COCC[C@H]1CCC[N@H+](CCCn2cccc2)C1 ZINC000670449741 540998662 /nfs/dbraw/zinc/99/86/62/540998662.db2.gz WXQOZCANFBJADY-OAHLLOKOSA-N 1 0 250.386 2.627 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2ccc3[nH]c(C)nc3c2)n1 ZINC000670452757 541000392 /nfs/dbraw/zinc/00/03/92/541000392.db2.gz MLSSWLXFMVVHDS-LBPRGKRZSA-N 1 0 297.406 2.863 50 0 CFAARO CCc1nccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)n1 ZINC000670470869 541009926 /nfs/dbraw/zinc/00/99/26/541009926.db2.gz AAPIELFPRPDZPH-MRXNPFEDSA-N 1 0 283.375 2.692 50 0 CFAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(Cc1cnccc1Cl)C2 ZINC000670471456 541010169 /nfs/dbraw/zinc/01/01/69/541010169.db2.gz QDQGQJQNHRMSTD-JSGCOSHPSA-N 1 0 279.815 2.651 50 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1 0 274.408 2.638 50 0 CFAARO O=C(NC1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000004401470 283925785 /nfs/dbraw/zinc/92/57/85/283925785.db2.gz BVFBXXYKFJEWTH-UHFFFAOYSA-N 1 0 279.428 2.589 50 0 CFAARO C[C@H](CNc1c(F)c(F)nc(F)c1F)[N@H+](C)C1CC1 ZINC000225466624 189752907 /nfs/dbraw/zinc/75/29/07/189752907.db2.gz QUFLGCUUDPKAGY-ZCFIWIBFSA-N 1 0 277.265 2.533 50 0 CFAARO c1cc2c(ncnc2N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000225723962 189763200 /nfs/dbraw/zinc/76/32/00/189763200.db2.gz VPYOQVZCKRQYCW-RYUDHWBXSA-N 1 0 274.393 2.730 50 0 CFAARO C[C@@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)[C@H](C)n1cccn1 ZINC000069418031 296135245 /nfs/dbraw/zinc/13/52/45/296135245.db2.gz BNBWHRAEGRLRKO-NEPJUHHUSA-N 1 0 275.400 2.643 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]12)c1occc1-c1ccccc1 ZINC000229374135 189798345 /nfs/dbraw/zinc/79/83/45/189798345.db2.gz CIMMISOHPHCQOA-HOTGVXAUSA-N 1 0 296.370 2.913 50 0 CFAARO CC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000000057261 371518780 /nfs/dbraw/zinc/51/87/80/371518780.db2.gz STJMRWALKKWQGH-JTQLQIEISA-N 1 0 277.195 2.997 50 0 world CFAARO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1CO ZINC000000212733 371559250 /nfs/dbraw/zinc/55/92/50/371559250.db2.gz LATGVFKWEFJIKK-CQSZACIVSA-N 1 0 271.360 2.805 50 0 CFAARO CCOC(=O)N1CCC([NH2+]C2CCCCCC2)CC1 ZINC000000182234 371551365 /nfs/dbraw/zinc/55/13/65/371551365.db2.gz JTMAOEGOHOAQAL-UHFFFAOYSA-N 1 0 268.401 2.920 50 0 CFAARO COc1ccc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1 ZINC000000187157 371553320 /nfs/dbraw/zinc/55/33/20/371553320.db2.gz ADGBENJAAOINKA-HZPDHXFCSA-N 1 0 277.364 2.595 50 0 CFAARO COc1ccc(CC[C@@H]2[NH2+]CCn3cccc32)cc1OC ZINC000000214200 371560261 /nfs/dbraw/zinc/56/02/61/371560261.db2.gz NJRYNDBBAVJNQY-AWEZNQCLSA-N 1 0 286.375 2.782 50 0 CFAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000000217097 371560630 /nfs/dbraw/zinc/56/06/30/371560630.db2.gz GNTOWMPKVJTUBJ-UHFFFAOYSA-N 1 0 277.314 2.959 50 0 CFAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccco3)CC2)C1 ZINC000000239047 371563978 /nfs/dbraw/zinc/56/39/78/371563978.db2.gz VIVZJZMYIFYJPB-UONOGXRCSA-N 1 0 276.380 2.616 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000000237691 371564088 /nfs/dbraw/zinc/56/40/88/371564088.db2.gz MQGQVPXXDSPQIX-OAHLLOKOSA-N 1 0 291.391 2.860 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2ccc(OC)c(C)c2)CC1 ZINC000000236420 371564717 /nfs/dbraw/zinc/56/47/17/371564717.db2.gz HGVDPVUQYNMXMM-UHFFFAOYSA-N 1 0 291.391 2.779 50 0 CFAARO CC[C@@]1(C)N(O)C(C)(C)C(c2ccc(F)cc2)[N+]1=O ZINC000000269110 371573294 /nfs/dbraw/zinc/57/32/94/371573294.db2.gz KIXXHLWVEHZYAI-CQSZACIVSA-N 1 0 266.316 2.735 50 0 CFAARO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC)cc(OC)c1 ZINC000000293449 371579809 /nfs/dbraw/zinc/57/98/09/371579809.db2.gz LXSLVRZUGUBCSX-CVEARBPZSA-N 1 0 279.380 2.751 50 0 CFAARO C[C@@H](C[NH2+]C[C@H]1CCCO1)COc1ccccc1F ZINC000000312223 371584668 /nfs/dbraw/zinc/58/46/68/371584668.db2.gz OGHRAOHFMRHTKI-QWHCGFSZSA-N 1 0 267.344 2.609 50 0 CFAARO Nc1ccc(C2(c3ccc(N)cc3)C[NH+]3CCC2CC3)cc1 ZINC000000353700 371592842 /nfs/dbraw/zinc/59/28/42/371592842.db2.gz BEZYNOQAXDYYLC-UHFFFAOYSA-N 1 0 293.414 2.863 50 0 CFAARO Cc1ccc([C@@H](O)CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000000377295 371600005 /nfs/dbraw/zinc/60/00/05/371600005.db2.gz FFNSTTWKONVLRN-KRWDZBQOSA-N 1 0 293.370 2.725 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)CCc2ccc(C)cc2C)C1 ZINC000237171572 189866658 /nfs/dbraw/zinc/86/66/58/189866658.db2.gz WVMJCURNRHDEFV-INIZCTEOSA-N 1 0 288.435 2.694 50 0 CFAARO O=C(CC[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000000454960 371620311 /nfs/dbraw/zinc/62/03/11/371620311.db2.gz QGRHQWYMNPSSDQ-UHFFFAOYSA-N 1 0 252.745 2.764 50 0 CFAARO C[C@H](C[NH+](C)C)OC(=O)C1(c2ccccc2)CCCC1 ZINC000000477669 371626650 /nfs/dbraw/zinc/62/66/50/371626650.db2.gz CQZRECNOBACPCS-CQSZACIVSA-N 1 0 275.392 2.992 50 0 CFAARO [NH2+]=c1c2c(n(Cc3ccccc3)c3c1CCC3)CCC2 ZINC000000507676 371631675 /nfs/dbraw/zinc/63/16/75/371631675.db2.gz FMJZREWCZDABCY-UHFFFAOYSA-N 1 0 264.372 2.993 50 0 CFAARO OC[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000000753251 371646639 /nfs/dbraw/zinc/64/66/39/371646639.db2.gz BIJRDJBDJMIMBS-LBPRGKRZSA-N 1 0 284.197 2.653 50 0 CFAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000000758955 371648772 /nfs/dbraw/zinc/64/87/72/371648772.db2.gz JMEOWFDQSWXKOY-CQDKDKBSSA-N 1 0 267.319 2.921 50 0 CFAARO c1ccc(CN2CCC([NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000000757852 371649397 /nfs/dbraw/zinc/64/93/97/371649397.db2.gz FVZSWYBJWJQBOE-MRXNPFEDSA-N 1 0 276.449 2.746 50 0 CFAARO C[C@@H](C[NH+](C)C)[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000002018980 371713453 /nfs/dbraw/zinc/71/34/53/371713453.db2.gz KVHHQGIIZCJATJ-SMDDNHRTSA-N 1 0 255.789 2.831 50 0 endogenous,world CFAARO c1ccc(CC[NH2+]CC2OCc3ccccc3CO2)cc1 ZINC000002471626 371727485 /nfs/dbraw/zinc/72/74/85/371727485.db2.gz SNFFCNVQBHSBIT-UHFFFAOYSA-N 1 0 283.371 2.892 50 0 CFAARO COc1ccc(CC[C@@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000002498832 371730427 /nfs/dbraw/zinc/73/04/27/371730427.db2.gz BCQSQXXORVVSKU-OAHLLOKOSA-N 1 0 287.407 2.893 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000002582561 371740989 /nfs/dbraw/zinc/74/09/89/371740989.db2.gz FXJRCUZTASRZFH-SNVBAGLBSA-N 1 0 290.132 2.541 50 0 CFAARO C[NH+](C)CCNC(=O)Nc1cccc2ccccc21 ZINC000001698068 371698975 /nfs/dbraw/zinc/69/89/75/371698975.db2.gz XZVKXBGCPHTNAA-UHFFFAOYSA-N 1 0 257.337 2.523 50 0 CFAARO CC[NH+](CC)CCOCC(=O)Nc1c(C)cccc1Cl ZINC000001725970 371703573 /nfs/dbraw/zinc/70/35/73/371703573.db2.gz DXJYVJFRXZPDKU-UHFFFAOYSA-N 1 0 298.814 2.945 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000002760529 371751294 /nfs/dbraw/zinc/75/12/94/371751294.db2.gz FTPZDKCDALVQPD-UHFFFAOYSA-N 1 0 252.333 2.886 50 0 CFAARO C[C@H]1CCC[N@H+](CCOCCOc2ccccc2F)C1 ZINC000002822920 371757124 /nfs/dbraw/zinc/75/71/24/371757124.db2.gz XBXOBEOHVSQKGU-AWEZNQCLSA-N 1 0 281.371 2.953 50 0 CFAARO Cc1ccc(C)c(OCCCCCC[NH2+]CCO)c1 ZINC000002901787 371763068 /nfs/dbraw/zinc/76/30/68/371763068.db2.gz FZMPWVFTAYEMEV-UHFFFAOYSA-N 1 0 265.397 2.825 50 0 CFAARO COc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000002891186 371763327 /nfs/dbraw/zinc/76/33/27/371763327.db2.gz FFWKIXLFUJZJIB-CYBMUJFWSA-N 1 0 261.365 3.000 50 0 CFAARO C[C@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000003003084 371768807 /nfs/dbraw/zinc/76/88/07/371768807.db2.gz DCDAFJIPLAOGCH-HNNXBMFYSA-N 1 0 263.381 2.814 50 0 CFAARO COCC[NH2+]CCOc1c(C)cccc1C(C)(C)C ZINC000003003261 371768980 /nfs/dbraw/zinc/76/89/80/371768980.db2.gz FZUKMFMBUOLDDB-UHFFFAOYSA-N 1 0 265.397 2.907 50 0 CFAARO COc1ccccc1[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000003127857 371774890 /nfs/dbraw/zinc/77/48/90/371774890.db2.gz RXFZPESWMNZRLL-GOSISDBHSA-N 1 0 299.370 2.948 50 0 CFAARO C[N@H+](C[C@H](O)COCc1ccccc1F)C1CCCCC1 ZINC000003179350 371778092 /nfs/dbraw/zinc/77/80/92/371778092.db2.gz BSICEDXWGRDIRH-INIZCTEOSA-N 1 0 295.398 2.968 50 0 CFAARO C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000003328277 371790952 /nfs/dbraw/zinc/79/09/52/371790952.db2.gz WGHMQHVICUMPQB-SNVBAGLBSA-N 1 0 252.745 2.763 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000003678298 371814321 /nfs/dbraw/zinc/81/43/21/371814321.db2.gz CJIVTCRTDRPEPI-JTQLQIEISA-N 1 0 262.136 2.946 50 0 CFAARO Fc1cccc(Cl)c1C[NH2+]CCCn1ccnc1 ZINC000003888401 371822805 /nfs/dbraw/zinc/82/28/05/371822805.db2.gz GOFVEVMNZARKMO-UHFFFAOYSA-N 1 0 267.735 2.856 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc1C ZINC000003893512 371824063 /nfs/dbraw/zinc/82/40/63/371824063.db2.gz CGXFLSFZVZZFFI-JKSUJKDBSA-N 1 0 277.408 2.918 50 0 CFAARO O=C(O[C@H]1C[NH+]2CCC1CC2)C12CC3CC(CC(C3)C1)C2 ZINC000004008303 371827880 /nfs/dbraw/zinc/82/78/80/371827880.db2.gz MQTJTRXFDSDSOO-IEKYFPHUSA-N 1 0 289.419 2.840 50 0 CFAARO CC(=O)N(CC[NH+](C)C)c1nc2cc(C)cc(C)c2s1 ZINC000004359398 371853770 /nfs/dbraw/zinc/85/37/70/371853770.db2.gz FQRDSLHKFIAXFE-UHFFFAOYSA-N 1 0 291.420 2.828 50 0 CFAARO O[C@H](C[NH2+]Cc1cc2ccccc2s1)C(F)(F)F ZINC000004389265 371855164 /nfs/dbraw/zinc/85/51/64/371855164.db2.gz TXJJQFYTLOSLQA-LLVKDONJSA-N 1 0 275.295 2.914 50 0 CFAARO CCOC(=O)CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000004476905 371856757 /nfs/dbraw/zinc/85/67/57/371856757.db2.gz DJXZYWZEALQOSK-CQSZACIVSA-N 1 0 262.353 2.562 50 0 CFAARO C[N@@H+]1CCC[C@H](OC(=O)Cc2ccc(Cl)cc2)C1 ZINC000004552872 371863881 /nfs/dbraw/zinc/86/38/81/371863881.db2.gz SLPZHFWOQAOAOR-ZDUSSCGKSA-N 1 0 267.756 2.520 50 0 CFAARO C[N@@H+]1CCC[C@@H](OC(=O)c2cccc(Br)c2)C1 ZINC000004550380 371863929 /nfs/dbraw/zinc/86/39/29/371863929.db2.gz XIHJEHHSUCQSNW-GFCCVEGCSA-N 1 0 298.180 2.700 50 0 CFAARO Cc1ccccc1NC(=O)OC[C@@H]1CCC[N@@H+](C)C1 ZINC000004566643 371864088 /nfs/dbraw/zinc/86/40/88/371864088.db2.gz MKOBWIXMVSJNJZ-CYBMUJFWSA-N 1 0 262.353 2.885 50 0 CFAARO CC[NH+]1CCN(c2ccc(NC(=O)CC(C)C)cc2)CC1 ZINC000004741190 371873519 /nfs/dbraw/zinc/87/35/19/371873519.db2.gz AMSGDGXCNOYAIB-UHFFFAOYSA-N 1 0 289.423 2.813 50 0 CFAARO CCc1cc2c(nc(C)nc2N2CC[NH+](CC)CC2)s1 ZINC000005017354 371878857 /nfs/dbraw/zinc/87/88/57/371878857.db2.gz OSDFUCMTXXZGJA-UHFFFAOYSA-N 1 0 290.436 2.704 50 0 CFAARO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000004133192 371837145 /nfs/dbraw/zinc/83/71/45/371837145.db2.gz JPZYFSXOLMVJBX-UONOGXRCSA-N 1 0 277.364 2.505 50 0 CFAARO COc1ccc(Br)cc1C[NH2+]C(C)C ZINC000010435910 371907292 /nfs/dbraw/zinc/90/72/92/371907292.db2.gz VCMUFNIKLPUJQW-UHFFFAOYSA-N 1 0 258.159 2.956 50 0 CFAARO COc1ccc(C[C@@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011600665 371921779 /nfs/dbraw/zinc/92/17/79/371921779.db2.gz JPJQOALHRVTKIV-HNNXBMFYSA-N 1 0 259.324 2.947 50 0 CFAARO [NH3+][C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000011849809 371932343 /nfs/dbraw/zinc/93/23/43/371932343.db2.gz HTDKHVUZOKNNEP-CYBMUJFWSA-N 1 0 255.296 2.875 50 0 CFAARO CCn1cc(C[NH2+]CCc2cccc(OC)c2)c(C)n1 ZINC000012398086 371960383 /nfs/dbraw/zinc/96/03/83/371960383.db2.gz AJHXCRVEROLDPZ-UHFFFAOYSA-N 1 0 273.380 2.552 50 0 CFAARO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000012481286 371966853 /nfs/dbraw/zinc/96/68/53/371966853.db2.gz MEMMETZAYQYAED-SNVBAGLBSA-N 1 0 259.136 2.684 50 0 CFAARO C[C@@H](CCO)[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012712279 371980502 /nfs/dbraw/zinc/98/05/02/371980502.db2.gz PZUQKCCRMOFXMK-LBPRGKRZSA-N 1 0 272.392 2.907 50 0 CFAARO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000012138971 371946037 /nfs/dbraw/zinc/94/60/37/371946037.db2.gz AXQKWRMPCYVYQL-CZUORRHYSA-N 1 0 291.391 2.503 50 0 CFAARO Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCCC2)cc1 ZINC000012223527 371947515 /nfs/dbraw/zinc/94/75/15/371947515.db2.gz CMRWBZADBODHDN-CYBMUJFWSA-N 1 0 261.369 2.601 50 0 CFAARO FC(F)(F)Oc1ccccc1OC1CC[NH2+]CC1 ZINC000012359745 371954804 /nfs/dbraw/zinc/95/48/04/371954804.db2.gz UXSFSVYZILNPEV-UHFFFAOYSA-N 1 0 261.243 2.716 50 0 CFAARO COc1cccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000013153581 372016696 /nfs/dbraw/zinc/01/66/96/372016696.db2.gz ZSGDBSFUHNUNLB-GASCZTMLSA-N 1 0 293.407 2.963 50 0 CFAARO c1cnc(Oc2cccc(C[NH2+]C[C@H]3CCCO3)c2)nc1 ZINC000013731568 372045890 /nfs/dbraw/zinc/04/58/90/372045890.db2.gz LDZBDSOWLUFSMU-OAHLLOKOSA-N 1 0 285.347 2.538 50 0 CFAARO COc1ccccc1C(=O)O[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000013756271 372048377 /nfs/dbraw/zinc/04/83/77/372048377.db2.gz KTZCSPSWFXRDPE-YWPYICTPSA-N 1 0 277.364 2.581 50 0 CFAARO Cc1ccccc1CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012973812 372003909 /nfs/dbraw/zinc/00/39/09/372003909.db2.gz ACJZPJLGLHYJNT-UHFFFAOYSA-N 1 0 288.435 2.963 50 0 CFAARO C[C@@H]1CCc2c(C(=O)NC3CC[NH+](C)CC3)csc2C1 ZINC000016580617 372111779 /nfs/dbraw/zinc/11/17/79/372111779.db2.gz QXZIVDGEKNYXCI-LLVKDONJSA-N 1 0 292.448 2.697 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2OC)CC1 ZINC000016605086 372113378 /nfs/dbraw/zinc/11/33/78/372113378.db2.gz XXFTZMRLVAJVJM-UHFFFAOYSA-N 1 0 296.798 2.563 50 0 CFAARO Brc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631234 372072808 /nfs/dbraw/zinc/07/28/08/372072808.db2.gz RJUUKZZAUARTNN-JTQLQIEISA-N 1 0 270.170 2.828 50 0 CFAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000014914376 372075451 /nfs/dbraw/zinc/07/54/51/372075451.db2.gz TZDBXBPDDTZBHM-GFCCVEGCSA-N 1 0 280.799 2.831 50 0 CFAARO C[NH2+]Cc1ccc(OCc2ccc3c(c2)OCO3)cc1 ZINC000015083756 372078625 /nfs/dbraw/zinc/07/86/25/372078625.db2.gz XZHGGBAGGGVVQX-UHFFFAOYSA-N 1 0 271.316 2.714 50 0 CFAARO C[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000016047106 372097936 /nfs/dbraw/zinc/09/79/36/372097936.db2.gz UFYZJQUGCBFORI-LLVKDONJSA-N 1 0 265.328 2.924 50 0 CFAARO FC(F)Oc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000016941736 372121482 /nfs/dbraw/zinc/12/14/82/372121482.db2.gz GABBYDPVJJDXIW-UHFFFAOYSA-N 1 0 264.275 2.973 50 0 CFAARO Clc1c2ccccc2sc1CN1CC[NH2+]CC1 ZINC000019230024 372152019 /nfs/dbraw/zinc/15/20/19/372152019.db2.gz MFDZETPMGGQTNU-UHFFFAOYSA-N 1 0 266.797 2.960 50 0 CFAARO CC1CCC([NH+]2CCN(Cc3ccccn3)CC2)CC1 ZINC000019359875 372156559 /nfs/dbraw/zinc/15/65/59/372156559.db2.gz OIUZRITYGWXAFC-UHFFFAOYSA-N 1 0 273.424 2.778 50 0 CFAARO C[N@@H+]1CCCN(Cc2cccc(Br)c2)CC1 ZINC000019537164 372173971 /nfs/dbraw/zinc/17/39/71/372173971.db2.gz XUIRKBKKWOVRIJ-UHFFFAOYSA-N 1 0 283.213 2.587 50 0 CFAARO CCOc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000017022727 372126246 /nfs/dbraw/zinc/12/62/46/372126246.db2.gz SASNVBTUOQSPFX-UHFFFAOYSA-N 1 0 291.395 2.693 50 0 CFAARO Cc1ccccc1NC(=O)C[NH2+]Cc1ccccc1 ZINC000020038387 372221191 /nfs/dbraw/zinc/22/11/91/372221191.db2.gz ARXMHXGRRZWSBJ-UHFFFAOYSA-N 1 0 254.333 2.723 50 0 CFAARO CC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100468 372230971 /nfs/dbraw/zinc/23/09/71/372230971.db2.gz SRJRALRJICYRJW-ZDUSSCGKSA-N 1 0 292.398 2.952 50 0 CFAARO COC(=O)[C@H]1CC12CC[NH+](CCSC(C)(C)C)CC2 ZINC000367257431 284313414 /nfs/dbraw/zinc/31/34/14/284313414.db2.gz IIEIVWOXVRZTFL-GFCCVEGCSA-N 1 0 285.453 2.793 50 0 CFAARO COCC[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000019738043 372183815 /nfs/dbraw/zinc/18/38/15/372183815.db2.gz ZIFDJBHBXMBEGE-SECBINFHSA-N 1 0 278.179 2.997 50 0 CFAARO CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@H]1[NH2+]CCN(C)C ZINC000019774446 372185973 /nfs/dbraw/zinc/18/59/73/372185973.db2.gz XFNDXCULCBDGRM-XHSDSOJGSA-N 1 0 298.471 2.676 50 0 CFAARO O[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000019785092 372186832 /nfs/dbraw/zinc/18/68/32/372186832.db2.gz WGKAEQNBTHBDPF-GOSISDBHSA-N 1 0 282.387 2.542 50 0 CFAARO ClC1=CC[C@H]2C[N@H+](CCN3CCCC3)C[C@@H]2C1 ZINC000022064024 372243385 /nfs/dbraw/zinc/24/33/85/372243385.db2.gz QLOKZGCVMSPXQI-STQMWFEESA-N 1 0 254.805 2.547 50 0 CFAARO C[C@H](C[NH2+]Cc1ccccc1)NCc1ccccc1 ZINC000022032960 372244512 /nfs/dbraw/zinc/24/45/12/372244512.db2.gz NADLSYHUPNECSA-OAHLLOKOSA-N 1 0 254.377 2.955 50 0 CFAARO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000023282437 372259203 /nfs/dbraw/zinc/25/92/03/372259203.db2.gz CRDRKMOUNFAKCZ-MRXNPFEDSA-N 1 0 290.432 2.517 50 0 CFAARO C[C@@H](NC(=O)C[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000024165500 372272329 /nfs/dbraw/zinc/27/23/29/372272329.db2.gz XCHWFBCRNDNLJU-SNVBAGLBSA-N 1 0 268.788 2.905 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@H](c2cccs2)C(C)C)on1 ZINC000024241617 372273000 /nfs/dbraw/zinc/27/30/00/372273000.db2.gz JEAOILHISLGAEP-AWEZNQCLSA-N 1 0 293.392 2.970 50 0 CFAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000024976212 372285952 /nfs/dbraw/zinc/28/59/52/372285952.db2.gz ISZFZPAAJJUYRN-HNNXBMFYSA-N 1 0 286.400 2.752 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1cccs1 ZINC000027675783 372346980 /nfs/dbraw/zinc/34/69/80/372346980.db2.gz CBGHWRNZZMXOAP-QWHCGFSZSA-N 1 0 278.421 2.823 50 0 CFAARO C[C@H](C1CC1)[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000029725696 372384296 /nfs/dbraw/zinc/38/42/96/372384296.db2.gz AVNRKEIEMXBCJH-LLVKDONJSA-N 1 0 258.365 2.548 50 0 CFAARO Cc1ccc(C(=O)NCC[NH2+]Cc2ccsc2)cc1F ZINC000030670399 372396496 /nfs/dbraw/zinc/39/64/96/372396496.db2.gz AYMMQGKLBRZKFP-UHFFFAOYSA-N 1 0 292.379 2.715 50 0 CFAARO COc1ccccc1C[NH2+]Cc1cccnc1-n1cccn1 ZINC000030902104 372401353 /nfs/dbraw/zinc/40/13/53/372401353.db2.gz AOZQRDACKVXIJX-UHFFFAOYSA-N 1 0 294.358 2.566 50 0 CFAARO Cc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000031337968 372408724 /nfs/dbraw/zinc/40/87/24/372408724.db2.gz MRHZJFFBAURNJI-UHFFFAOYSA-N 1 0 294.398 2.783 50 0 CFAARO CCOC(=O)C[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000032908780 372474671 /nfs/dbraw/zinc/47/46/71/372474671.db2.gz NDIXCODQDYSFGZ-OAHLLOKOSA-N 1 0 279.355 2.862 50 0 CFAARO CCOCCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000032107282 372427204 /nfs/dbraw/zinc/42/72/04/372427204.db2.gz NIFKUZUNZWHUNO-UHFFFAOYSA-N 1 0 251.370 2.990 50 0 CFAARO CC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000032119658 372430882 /nfs/dbraw/zinc/43/08/82/372430882.db2.gz PLOMLGYSFVSGPV-NWDGAFQWSA-N 1 0 271.788 2.776 50 0 CFAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1 ZINC000032143145 372432782 /nfs/dbraw/zinc/43/27/82/372432782.db2.gz YJZJJYCAVJUAPY-XJKSGUPXSA-N 1 0 289.350 2.916 50 0 CFAARO Cc1ccc2c(=O)n(CC[C@H]3CCCC[N@H+]3C)cnc2c1C ZINC000032590437 372448179 /nfs/dbraw/zinc/44/81/79/372448179.db2.gz LCLFVXVAFCNWPS-OAHLLOKOSA-N 1 0 299.418 2.888 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1ccc(Cl)cc1F ZINC000032679784 372454012 /nfs/dbraw/zinc/45/40/12/372454012.db2.gz YLMRKNXQDRVIAE-UHFFFAOYSA-N 1 0 258.724 2.759 50 0 CFAARO Cc1ccc(CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000032740454 372457742 /nfs/dbraw/zinc/45/77/42/372457742.db2.gz TUPAJCDCGNTUAD-UHFFFAOYSA-N 1 0 288.435 2.835 50 0 CFAARO NC(=O)[C@H]([NH2+]CCCC1CCCC1)c1ccccc1 ZINC000032771712 372460992 /nfs/dbraw/zinc/46/09/92/372460992.db2.gz YKIIRSNWMIPQTC-OAHLLOKOSA-N 1 0 260.381 2.773 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc2c(c1)CCCC2 ZINC000035055255 372535434 /nfs/dbraw/zinc/53/54/34/372535434.db2.gz RBKXDYYZRCZAQQ-DYVFJYSZSA-N 1 0 286.419 2.885 50 0 CFAARO CC[NH+]1CCN(C(=O)/C=C\c2ccc(C(C)C)cc2)CC1 ZINC000033311063 372490776 /nfs/dbraw/zinc/49/07/76/372490776.db2.gz BTYDXIFKMKSDTM-YFHOEESVSA-N 1 0 286.419 2.987 50 0 CFAARO COc1cc(C[N@H+](CCC(C)C)C[C@H](C)O)cc(OC)c1 ZINC000036095151 372555977 /nfs/dbraw/zinc/55/59/77/372555977.db2.gz NHIKEIKCIJXLED-AWEZNQCLSA-N 1 0 295.423 2.933 50 0 CFAARO COc1cc(OC)cc(Oc2ccc(C[NH3+])cc2)c1 ZINC000036204401 372567410 /nfs/dbraw/zinc/56/74/10/372567410.db2.gz KPYDFRSZSYCQKJ-UHFFFAOYSA-N 1 0 259.305 2.955 50 0 CFAARO Cc1cc(C)c2c(=O)[nH]n([C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2n1 ZINC000036383737 372576374 /nfs/dbraw/zinc/57/63/74/372576374.db2.gz DNSOMCZSWHTTIF-RAIGVLPGSA-N 1 0 288.395 2.655 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2F)cc1 ZINC000037863677 372729544 /nfs/dbraw/zinc/72/95/44/372729544.db2.gz YNBSUXNMUNNKKN-INIZCTEOSA-N 1 0 293.313 2.797 50 0 CFAARO CN(Cc1ccccc1Cl)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000037798656 372713449 /nfs/dbraw/zinc/71/34/49/372713449.db2.gz VBWAJINGEBCFCY-HNNXBMFYSA-N 1 0 288.778 2.998 50 0 CFAARO Cc1cccc(N2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000040018175 372779205 /nfs/dbraw/zinc/77/92/05/372779205.db2.gz VHEYQWAHMOIXGT-UHFFFAOYSA-N 1 0 281.403 2.755 50 0 CFAARO Cc1cc(N2CCC[C@H](CO)C2)c2ccccc2[nH+]1 ZINC000040429927 372783042 /nfs/dbraw/zinc/78/30/42/372783042.db2.gz XBVCDRCRKAKECL-ZDUSSCGKSA-N 1 0 256.349 2.752 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000040731233 372784311 /nfs/dbraw/zinc/78/43/11/372784311.db2.gz QEQVURYCPUSAJY-UHFFFAOYSA-N 1 0 290.407 2.576 50 0 CFAARO Cc1ccc(C[NH2+]Cc2ccc(NC(N)=O)cc2)cc1 ZINC000040520626 372784351 /nfs/dbraw/zinc/78/43/51/372784351.db2.gz FJNFBKBLZFMODJ-UHFFFAOYSA-N 1 0 269.348 2.775 50 0 CFAARO CC[C@H]([NH3+])c1noc(-c2cccc(Br)c2)n1 ZINC000041052491 372806328 /nfs/dbraw/zinc/80/63/28/372806328.db2.gz HQJSOHUGZZGDSF-VIFPVBQESA-N 1 0 282.141 2.909 50 0 CFAARO Clc1cccc(-c2nc(C3CC[NH2+]CC3)no2)c1 ZINC000041357804 372833494 /nfs/dbraw/zinc/83/34/94/372833494.db2.gz PZLIQSBTUQHZPR-UHFFFAOYSA-N 1 0 263.728 2.857 50 0 CFAARO COC(=O)CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000042437298 372925179 /nfs/dbraw/zinc/92/51/79/372925179.db2.gz FDMCVELIZNVWEJ-UHFFFAOYSA-N 1 0 255.745 2.725 50 0 CFAARO CC1(C)CC(NC(=O)Nc2nccs2)CC(C)(C)[NH2+]1 ZINC000042758259 372951943 /nfs/dbraw/zinc/95/19/43/372951943.db2.gz NDVORVKBQRHXSM-UHFFFAOYSA-N 1 0 282.413 2.574 50 0 CFAARO FC(F)(F)c1ccc(OCC[C@H]2CCC[NH2+]C2)nc1 ZINC000042774202 372953853 /nfs/dbraw/zinc/95/38/53/372953853.db2.gz MYYIVOSHVKFMCL-SNVBAGLBSA-N 1 0 274.286 2.869 50 0 CFAARO Cc1ccsc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000046877302 373065931 /nfs/dbraw/zinc/06/59/31/373065931.db2.gz BEXBACNEQJDWQP-LLVKDONJSA-N 1 0 266.410 2.518 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccc(F)c2)C1 ZINC000047416338 373093446 /nfs/dbraw/zinc/09/34/46/373093446.db2.gz PEPSAVDZAZUGBO-OKILXGFUSA-N 1 0 292.398 2.924 50 0 CFAARO c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@@H]1CCOC1)OCCO2 ZINC000047706669 373114101 /nfs/dbraw/zinc/11/41/01/373114101.db2.gz LVSFXYGSZSENNJ-ZFWWWQNUSA-N 1 0 289.375 2.631 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c2ccccc12)C1CC1 ZINC000047921136 373130001 /nfs/dbraw/zinc/13/00/01/373130001.db2.gz ZYCHHTJXPFCULT-QGZVFWFLSA-N 1 0 299.418 2.557 50 0 CFAARO CC[NH+](CC)CC1CCN(Cc2nc(C(C)C)no2)CC1 ZINC000047977785 373136867 /nfs/dbraw/zinc/13/68/67/373136867.db2.gz IPASIIJFANVDFC-UHFFFAOYSA-N 1 0 294.443 2.747 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049096398 373268326 /nfs/dbraw/zinc/26/83/26/373268326.db2.gz NPSYQBOAIRFZQR-MRXNPFEDSA-N 1 0 268.360 2.664 50 0 CFAARO NC(=O)[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccccc1 ZINC000049336651 373289038 /nfs/dbraw/zinc/28/90/38/373289038.db2.gz BQDAPRURBAYUTE-ZDUSSCGKSA-N 1 0 294.807 2.760 50 0 CFAARO COC(=O)C1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000050070533 373347638 /nfs/dbraw/zinc/34/76/38/373347638.db2.gz ZFCFWHMGARFLCZ-UHFFFAOYSA-N 1 0 270.332 2.624 50 0 CFAARO COc1cc(C[NH2+][C@H]2CCCC[C@H]2O)ccc1OC(C)C ZINC000051993780 373424899 /nfs/dbraw/zinc/42/48/99/373424899.db2.gz RHEBSILYJKPIPF-LSDHHAIUSA-N 1 0 293.407 2.876 50 0 CFAARO Cc1cc(CN2CC[NH+](CCCc3ccccc3)CC2)no1 ZINC000053134913 373464746 /nfs/dbraw/zinc/46/47/46/373464746.db2.gz DQJCKMXUAPXJHD-UHFFFAOYSA-N 1 0 299.418 2.733 50 0 CFAARO c1ccc2c(c1)C[C@@H](C[NH2+]Cc1cccc3c1OCCO3)O2 ZINC000054039495 373493414 /nfs/dbraw/zinc/49/34/14/373493414.db2.gz RMPMJFLPLGBXAK-HNNXBMFYSA-N 1 0 297.354 2.551 50 0 CFAARO CCN(CC[NH+]1CCCCCC1)Cc1ccncc1 ZINC000055053241 373535311 /nfs/dbraw/zinc/53/53/11/373535311.db2.gz PEVAJCCCUDEJLP-UHFFFAOYSA-N 1 0 261.413 2.780 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000054226417 373506977 /nfs/dbraw/zinc/50/69/77/373506977.db2.gz QOYMBBLLOHUKCU-CJNGLKHVSA-N 1 0 272.392 2.738 50 0 CFAARO OCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000057353115 373589404 /nfs/dbraw/zinc/58/94/04/373589404.db2.gz MSTFBNQGILERCV-UHFFFAOYSA-N 1 0 298.361 2.911 50 0 CFAARO C[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000057353113 373590097 /nfs/dbraw/zinc/59/00/97/373590097.db2.gz MZORJMUYOJCGGP-UHFFFAOYSA-N 1 0 296.349 2.852 50 0 CFAARO CCCSc1ncc(CNCC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000055153014 373544265 /nfs/dbraw/zinc/54/42/65/373544265.db2.gz OYFZRRUBFMSANE-AWEZNQCLSA-N 1 0 294.468 2.553 50 0 CFAARO COC(=O)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000055168508 373544926 /nfs/dbraw/zinc/54/49/26/373544926.db2.gz CNJNDJUSCWVDNF-UHFFFAOYSA-N 1 0 281.355 2.881 50 0 CFAARO C[C@@H]1CCC[C@@](CNC(=O)Nc2cccnc2)([NH+](C)C)C1 ZINC000058055738 373625362 /nfs/dbraw/zinc/62/53/62/373625362.db2.gz SIJGSXDRQNKOMV-CZUORRHYSA-N 1 0 290.411 2.714 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000058203331 373631668 /nfs/dbraw/zinc/63/16/68/373631668.db2.gz QOROFIVXARLZRG-LLVKDONJSA-N 1 0 297.349 2.817 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCc2cccnc2)cc1 ZINC000058224477 373635141 /nfs/dbraw/zinc/63/51/41/373635141.db2.gz YSRRWFSJEKYURY-UHFFFAOYSA-N 1 0 296.349 2.943 50 0 CFAARO Cc1ncc(C[NH+]2CCC(c3ccnn3C)CC2)s1 ZINC000058292607 373642289 /nfs/dbraw/zinc/64/22/89/373642289.db2.gz MPXULKMXIKYKKR-UHFFFAOYSA-N 1 0 276.409 2.565 50 0 CFAARO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000058356505 373647892 /nfs/dbraw/zinc/64/78/92/373647892.db2.gz GMCPRSHTAZHKDH-GFCCVEGCSA-N 1 0 279.359 2.679 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000058356506 373648420 /nfs/dbraw/zinc/64/84/20/373648420.db2.gz GMCPRSHTAZHKDH-LBPRGKRZSA-N 1 0 279.359 2.679 50 0 CFAARO CC(C)CNC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000060168237 373688293 /nfs/dbraw/zinc/68/82/93/373688293.db2.gz AEJXVRDJCWOAQM-QGZVFWFLSA-N 1 0 286.419 2.911 50 0 CFAARO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000062161021 373754318 /nfs/dbraw/zinc/75/43/18/373754318.db2.gz DKMHZZBONYSPOO-HNNXBMFYSA-N 1 0 290.407 2.600 50 0 CFAARO CC[N@H+](CCc1ccncc1)C[C@@H](O)c1ccc(C)cc1 ZINC000062349840 373759337 /nfs/dbraw/zinc/75/93/37/373759337.db2.gz RVYAHYDQIZOPBB-GOSISDBHSA-N 1 0 284.403 2.988 50 0 CFAARO Cc1noc([C@@H](C)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000064130019 373819728 /nfs/dbraw/zinc/81/97/28/373819728.db2.gz CNHQGRGCVIPEFM-CYBMUJFWSA-N 1 0 292.427 2.637 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)nc(-c2cccnc2)n1 ZINC000065507449 373880049 /nfs/dbraw/zinc/88/00/49/373880049.db2.gz GJJYKZJVWNBSQH-OAHLLOKOSA-N 1 0 297.406 2.743 50 0 CFAARO CC/C=C(/C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000065539332 373884957 /nfs/dbraw/zinc/88/49/57/373884957.db2.gz IEQSGZYNKHGYDE-UZGISAJGSA-N 1 0 260.381 2.762 50 0 CFAARO C[C@@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065605636 373893466 /nfs/dbraw/zinc/89/34/66/373893466.db2.gz MXABVVAQTKSVCL-INIZCTEOSA-N 1 0 281.403 2.960 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000065286727 373852710 /nfs/dbraw/zinc/85/27/10/373852710.db2.gz XXADNADAXORJRI-CYBMUJFWSA-N 1 0 286.379 2.963 50 0 CFAARO CCn1cc(C[N@H+](C)Cc2ccccc2)ccc1=O ZINC000065285960 373853773 /nfs/dbraw/zinc/85/37/73/373853773.db2.gz ZCJVNAWSDOKFEB-UHFFFAOYSA-N 1 0 256.349 2.500 50 0 CFAARO CCC(CC)[NH2+][C@@H]1CCCN(Cc2cccnc2)C1 ZINC000065373181 373859655 /nfs/dbraw/zinc/85/96/55/373859655.db2.gz PRFLHOUPDZYTMI-MRXNPFEDSA-N 1 0 261.413 2.824 50 0 CFAARO Cc1ccccc1NC(=O)C[NH2+][C@@H](C)COc1ccccc1 ZINC000065385418 373861960 /nfs/dbraw/zinc/86/19/60/373861960.db2.gz IGQYTEOFZUCLKT-HNNXBMFYSA-N 1 0 298.386 2.991 50 0 CFAARO C[C@@H](Cc1cccs1)[NH2+]CCC(=O)Nc1cccnc1 ZINC000065393509 373863366 /nfs/dbraw/zinc/86/33/66/373863366.db2.gz IECPPKANWSMHPB-LBPRGKRZSA-N 1 0 289.404 2.693 50 0 CFAARO COc1cccc([C@H](C)[N@H+](C)Cc2ccc(CO)o2)c1 ZINC000065387970 373864586 /nfs/dbraw/zinc/86/45/86/373864586.db2.gz TWKXUSPBLHFVDD-LBPRGKRZSA-N 1 0 275.348 2.974 50 0 CFAARO CCC[C@@H]1COCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000065404619 373866575 /nfs/dbraw/zinc/86/65/75/373866575.db2.gz BPAHRVLKKRDJSG-MRXNPFEDSA-N 1 0 276.380 2.646 50 0 CFAARO COc1ccccc1C[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000065407907 373868421 /nfs/dbraw/zinc/86/84/21/373868421.db2.gz ZRPIUQIENDGYJZ-GFCCVEGCSA-N 1 0 297.358 2.952 50 0 CFAARO COc1ccccc1NC(=O)CC[NH2+]C1CCSCC1 ZINC000065408254 373868588 /nfs/dbraw/zinc/86/85/88/373868588.db2.gz ZDSUGTAZDXPBDK-UHFFFAOYSA-N 1 0 294.420 2.509 50 0 CFAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065407433 373868992 /nfs/dbraw/zinc/86/89/92/373868992.db2.gz VUEDGOHIRMZSID-INIZCTEOSA-N 1 0 260.381 2.567 50 0 CFAARO CCC/C=C/c1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000065488050 373877338 /nfs/dbraw/zinc/87/73/38/373877338.db2.gz CGKKIQYLTVXZMU-AATRIKPKSA-N 1 0 259.397 2.642 50 0 CFAARO CCOc1ccc(OCC[NH2+]Cc2c(C)n[nH]c2C)cc1 ZINC000065474705 373877649 /nfs/dbraw/zinc/87/76/49/373877649.db2.gz LBIHEQDIOIQELG-UHFFFAOYSA-N 1 0 289.379 2.594 50 0 CFAARO C[C@@H](CC1=CCC[N@H+](C)C1)NC(=O)c1ccnc(Cl)c1 ZINC000067714796 373997395 /nfs/dbraw/zinc/99/73/95/373997395.db2.gz CQIXLMKHATUZPS-NSHDSACASA-N 1 0 293.798 2.505 50 0 CFAARO Cc1nc(C(C)C)sc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000067804340 374004700 /nfs/dbraw/zinc/00/47/00/374004700.db2.gz RHLKNFBLBQJGDU-LBPRGKRZSA-N 1 0 295.452 2.647 50 0 CFAARO C[C@@]1(CCc2c[nH]c3ccccc23)[NH2+]CCc2nc[nH]c21 ZINC000067921025 374015939 /nfs/dbraw/zinc/01/59/39/374015939.db2.gz DQTNKRMJQKBGEA-KRWDZBQOSA-N 1 0 280.375 2.885 50 0 CFAARO Cc1ccc(F)cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067490870 373980758 /nfs/dbraw/zinc/98/07/58/373980758.db2.gz NEPSNXQPGBNAOI-MRXNPFEDSA-N 1 0 291.370 2.742 50 0 CFAARO CCCN(CC1=CCC[N@H+](C)C1)C(=O)C1CCCC1 ZINC000067641688 373987619 /nfs/dbraw/zinc/98/76/19/373987619.db2.gz GRURROPEXHKOPZ-UHFFFAOYSA-N 1 0 264.413 2.677 50 0 CFAARO [NH3+]C[C@@H]1Cc2c(c(-c3ccc4[nH]cnc4c3)ccc2F)O1 ZINC000067673147 373990199 /nfs/dbraw/zinc/99/01/99/373990199.db2.gz HDKAXSJTPFPWKE-JTQLQIEISA-N 1 0 283.306 2.631 50 0 CFAARO CC[C@H]1C[N@H+](Cc2ccc(Cl)nc2)CC[C@@]1(C)O ZINC000067692608 373993940 /nfs/dbraw/zinc/99/39/40/373993940.db2.gz QPCJUCBGKSKHRW-GXTWGEPZSA-N 1 0 268.788 2.718 50 0 CFAARO C(CC[C@H]1CCCO1)C[NH2+]C1CSCCSC1 ZINC000067714145 373993960 /nfs/dbraw/zinc/99/39/60/373993960.db2.gz SBFVLJLLVSLRNA-ZDUSSCGKSA-N 1 0 275.483 2.774 50 0 CFAARO O[C@@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000069326670 374053563 /nfs/dbraw/zinc/05/35/63/374053563.db2.gz PCVVMXQGOFVSSV-CVEARBPZSA-N 1 0 294.826 2.544 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)cc1 ZINC000069368917 374056033 /nfs/dbraw/zinc/05/60/33/374056033.db2.gz RPJRKXDJOATQPW-CHWSQXEVSA-N 1 0 259.353 2.631 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)[C@H](C)n2cccn2)o1 ZINC000069372235 374057875 /nfs/dbraw/zinc/05/78/75/374057875.db2.gz KZRZXZAYBXCIGL-OLZOCXBDSA-N 1 0 299.378 2.914 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)cc1F ZINC000069372700 374058293 /nfs/dbraw/zinc/05/82/93/374058293.db2.gz HBGDVFJRLKLZMB-RYUDHWBXSA-N 1 0 277.343 2.770 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)c(OC)c1 ZINC000069415635 374059137 /nfs/dbraw/zinc/05/91/37/374059137.db2.gz UEPVTHHAMLXYAE-CHWSQXEVSA-N 1 0 289.379 2.640 50 0 CFAARO CCc1cc2c(C[N@@H+](C)CC)cc(=O)oc2cc1O ZINC000069417598 374062088 /nfs/dbraw/zinc/06/20/88/374062088.db2.gz ZZAHXRFVPTYPBL-UHFFFAOYSA-N 1 0 261.321 2.513 50 0 CFAARO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069654894 374082802 /nfs/dbraw/zinc/08/28/02/374082802.db2.gz RJOTVPACHXASPL-RDJZCZTQSA-N 1 0 286.419 2.877 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccccc21 ZINC000069508180 374069558 /nfs/dbraw/zinc/06/95/58/374069558.db2.gz IWAAEBDXSPBRLY-KURKYZTESA-N 1 0 298.430 2.802 50 0 CFAARO CC(C)OCCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000070036944 374117877 /nfs/dbraw/zinc/11/78/77/374117877.db2.gz OERAJSZROAOGPK-INIZCTEOSA-N 1 0 268.445 2.752 50 0 CFAARO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000070149047 374130714 /nfs/dbraw/zinc/13/07/14/374130714.db2.gz GHTMSHHHXIMMHD-NSHDSACASA-N 1 0 284.762 2.823 50 0 CFAARO OCc1ccccc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000069670334 374084597 /nfs/dbraw/zinc/08/45/97/374084597.db2.gz MQJWBNZGMZUOTB-UHFFFAOYSA-N 1 0 293.370 2.654 50 0 CFAARO COCCCC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000069699930 374087643 /nfs/dbraw/zinc/08/76/43/374087643.db2.gz YSJUDNKMUPUTCC-UHFFFAOYSA-N 1 0 290.407 2.764 50 0 CFAARO CC(C)([NH2+]CC(=O)NC1CCCC1)c1ccc(F)cc1 ZINC000069811040 374100902 /nfs/dbraw/zinc/10/09/02/374100902.db2.gz HBDBJGYVWJBRJZ-UHFFFAOYSA-N 1 0 278.371 2.709 50 0 CFAARO c1cnn(C[C@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000069893068 374106769 /nfs/dbraw/zinc/10/67/69/374106769.db2.gz IPNNAFAOAVKXKE-CYBMUJFWSA-N 1 0 282.347 2.689 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000070172422 374137807 /nfs/dbraw/zinc/13/78/07/374137807.db2.gz CHSVCOHMFRCAPJ-WCQYABFASA-N 1 0 280.799 2.848 50 0 CFAARO C[C@H]1CCCN(C(=O)CCCc2ccccc2)[C@H]1C[NH3+] ZINC000070177045 374142184 /nfs/dbraw/zinc/14/21/84/374142184.db2.gz BEMNBKXDZKBGIR-HOCLYGCPSA-N 1 0 274.408 2.595 50 0 CFAARO CC[C@](OC(C)=O)(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000071772244 374223251 /nfs/dbraw/zinc/22/32/51/374223251.db2.gz JGSQNSNIRULOTK-CVEARBPZSA-N 1 0 261.365 2.807 50 0 CFAARO Cc1ccc(C)n1CC[NH2+]CCn1c(C)ccc1C ZINC000071772847 374223988 /nfs/dbraw/zinc/22/39/88/374223988.db2.gz SHZFBUGYRDMWLD-UHFFFAOYSA-N 1 0 259.397 2.813 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000071825260 374227430 /nfs/dbraw/zinc/22/74/30/374227430.db2.gz XPFZSVAMPRWKJF-UHFFFAOYSA-N 1 0 284.407 2.785 50 0 CFAARO c1nc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)c[nH]1 ZINC000072481591 374255894 /nfs/dbraw/zinc/25/58/94/374255894.db2.gz NQHIYPDKOPCJEX-UHFFFAOYSA-N 1 0 298.434 2.550 50 0 CFAARO CC(=O)N1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000072558452 374264522 /nfs/dbraw/zinc/26/45/22/374264522.db2.gz OBMMAAOWYUXASP-AWEZNQCLSA-N 1 0 260.381 2.610 50 0 CFAARO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000072632876 374270874 /nfs/dbraw/zinc/27/08/74/374270874.db2.gz QMDOKPHRNDMSIK-LLVKDONJSA-N 1 0 291.395 2.608 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1)n1cccn1 ZINC000072269761 374238687 /nfs/dbraw/zinc/23/86/87/374238687.db2.gz ACCOJWLLJZYNBQ-LSDHHAIUSA-N 1 0 295.390 2.808 50 0 CFAARO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](C)c1ccccc1 ZINC000249038848 189957277 /nfs/dbraw/zinc/95/72/77/189957277.db2.gz UELSXIPAOIMIRN-LZWOXQAQSA-N 1 0 263.381 2.574 50 0 CFAARO CC[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000074798402 374438020 /nfs/dbraw/zinc/43/80/20/374438020.db2.gz AFNFSUOLXPKCRW-ZBFHGGJFSA-N 1 0 295.448 2.547 50 0 CFAARO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2F)C[C@@H]1[NH+](C)C ZINC000078894562 374572957 /nfs/dbraw/zinc/57/29/57/374572957.db2.gz YBMWKJWJSWOBDF-DOMZBBRYSA-N 1 0 292.398 2.512 50 0 CFAARO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1[NH+](C)C ZINC000078895226 374573254 /nfs/dbraw/zinc/57/32/54/374573254.db2.gz CWRHSYNRSSIMFT-YPMHNXCESA-N 1 0 292.448 2.649 50 0 CFAARO Cc1cc([C@H]2CCC[N@H+](CCc3ccccn3)C2)[nH]n1 ZINC000078901224 374573883 /nfs/dbraw/zinc/57/38/83/374573883.db2.gz CIKQVGXGROEFQS-AWEZNQCLSA-N 1 0 270.380 2.535 50 0 CFAARO Cc1cccc([C@H](C)[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000078950273 374577557 /nfs/dbraw/zinc/57/75/57/374577557.db2.gz MCELIRJKBGHNNR-DLBZAZTESA-N 1 0 288.435 2.710 50 0 CFAARO COc1cccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000079015300 374582292 /nfs/dbraw/zinc/58/22/92/374582292.db2.gz HSVZOVYWANETIM-CQSZACIVSA-N 1 0 298.386 2.776 50 0 CFAARO OCCCCC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000079100114 374594358 /nfs/dbraw/zinc/59/43/58/374594358.db2.gz KPAQVBHNGKHGHO-HNNXBMFYSA-N 1 0 263.381 2.692 50 0 CFAARO C[C@@H]1C[C@@H](NCc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338431 374650155 /nfs/dbraw/zinc/65/01/55/374650155.db2.gz YNSJKKNVCACIEU-ZBFHGGJFSA-N 1 0 284.407 2.552 50 0 CFAARO C[NH+](C)CCN(Cc1cccs1)C(=O)C1CC=CC1 ZINC000083851090 374757543 /nfs/dbraw/zinc/75/75/43/374757543.db2.gz MEUGWUBQXCQZMQ-UHFFFAOYSA-N 1 0 278.421 2.605 50 0 CFAARO C[NH+](C)[C@H]1CCCCN(c2cnc3ccccc3n2)C1 ZINC000082099732 374726216 /nfs/dbraw/zinc/72/62/16/374726216.db2.gz USASXJCWUFMGJC-ZDUSSCGKSA-N 1 0 270.380 2.550 50 0 CFAARO [NH3+][C@H]1CCCCN(Cc2ccc(Cl)c(F)c2)C1 ZINC000082106879 374726910 /nfs/dbraw/zinc/72/69/10/374726910.db2.gz RAVIDAYMPBUBOB-NSHDSACASA-N 1 0 256.752 2.792 50 0 CFAARO CCCCc1nc(Cl)c(CN2CCCC[C@@H]([NH3+])C2)[nH]1 ZINC000082133563 374727950 /nfs/dbraw/zinc/72/79/50/374727950.db2.gz NEQKQZLWKDSXMP-LLVKDONJSA-N 1 0 284.835 2.719 50 0 CFAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1-c1ccccc1 ZINC000082148403 374728823 /nfs/dbraw/zinc/72/88/23/374728823.db2.gz YWIAKPUDSWVZFK-GJZGRUSLSA-N 1 0 298.361 2.783 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)C1 ZINC000088734988 374860942 /nfs/dbraw/zinc/86/09/42/374860942.db2.gz ZEPVHIXVTXQWKD-NRSFXHEJSA-N 1 0 288.435 2.573 50 0 CFAARO CSCC[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC000089920866 374968838 /nfs/dbraw/zinc/96/88/38/374968838.db2.gz UCZNKCBGVQIBHZ-UHFFFAOYSA-N 1 0 269.385 2.784 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1sc(C)nc1C)CCC2 ZINC000089702100 374939331 /nfs/dbraw/zinc/93/93/31/374939331.db2.gz XJNWCYRHKBHEKL-ZDUSSCGKSA-N 1 0 290.436 2.932 50 0 CFAARO C[S@@](=O)c1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000090221004 375004499 /nfs/dbraw/zinc/00/44/99/375004499.db2.gz LDDKOWJYECPVER-XOBRGWDASA-N 1 0 295.448 2.860 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(F)c1 ZINC000090455773 375015016 /nfs/dbraw/zinc/01/50/16/375015016.db2.gz DGRQJPIXUXYDSN-YGRLFVJLSA-N 1 0 259.328 2.757 50 0 CFAARO CN1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090512482 375018207 /nfs/dbraw/zinc/01/82/07/375018207.db2.gz RNRYUHJRPGNLIA-UHFFFAOYSA-N 1 0 264.438 2.557 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@H]1COc2ccccc21 ZINC000090844770 375033805 /nfs/dbraw/zinc/03/38/05/375033805.db2.gz JBEYXVNBVLUBCJ-APHBMKBZSA-N 1 0 297.402 2.952 50 0 CFAARO C[N@H+](C[C@H](O)c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000089938674 374973154 /nfs/dbraw/zinc/97/31/54/374973154.db2.gz HULHJXZUEGRJGY-OLZOCXBDSA-N 1 0 271.813 2.811 50 0 CFAARO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C)s3)[C@H]2C1 ZINC000092095803 375088020 /nfs/dbraw/zinc/08/80/20/375088020.db2.gz UPRGKQRNXGHMTE-VHDGCEQUSA-N 1 0 281.421 2.825 50 0 CFAARO CN(CCSc1ccccc1)C[C@H]1CCC[N@@H+]1C ZINC000092664661 375136567 /nfs/dbraw/zinc/13/65/67/375136567.db2.gz LVSTWUUEAQEPJT-CQSZACIVSA-N 1 0 264.438 2.805 50 0 CFAARO COc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810949 375158719 /nfs/dbraw/zinc/15/87/19/375158719.db2.gz KXCVEMOYOYQGDY-UHFFFAOYSA-N 1 0 271.364 2.798 50 0 CFAARO COc1cc(C[N@H+](C)CC2CCOCC2)ccc1F ZINC000093315040 375208390 /nfs/dbraw/zinc/20/83/90/375208390.db2.gz CYIJOJMIVXZUEH-UHFFFAOYSA-N 1 0 267.344 2.693 50 0 CFAARO FC(F)C(F)(F)CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000093416449 375230836 /nfs/dbraw/zinc/23/08/36/375230836.db2.gz XYOAUOVENMYSAE-GFCCVEGCSA-N 1 0 294.336 2.861 50 0 CFAARO FC(F)C(F)(F)CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000093416450 375231170 /nfs/dbraw/zinc/23/11/70/375231170.db2.gz XYOAUOVENMYSAE-LBPRGKRZSA-N 1 0 294.336 2.861 50 0 CFAARO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000093808613 375313390 /nfs/dbraw/zinc/31/33/90/375313390.db2.gz WTRZBDRNCZPEEV-LBPRGKRZSA-N 1 0 288.416 2.989 50 0 CFAARO COCc1ccc(C[N@@H+]2CCOCC23CCC3)cc1 ZINC000093510045 375260099 /nfs/dbraw/zinc/26/00/99/375260099.db2.gz NJPJZUTWCRNILH-UHFFFAOYSA-N 1 0 261.365 2.588 50 0 CFAARO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611040 375273585 /nfs/dbraw/zinc/27/35/85/375273585.db2.gz PMYFAPUPXBFQFA-ZIAGYGMSSA-N 1 0 263.385 2.579 50 0 CFAARO Cc1ccc(CCCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000095458092 375456485 /nfs/dbraw/zinc/45/64/85/375456485.db2.gz JYUPEARTTUDPCL-HOTGVXAUSA-N 1 0 288.435 2.869 50 0 CFAARO COc1cccc2cc([C@H](C)[NH2+]C[C@@H](C)[S@](C)=O)oc21 ZINC000095988145 375464970 /nfs/dbraw/zinc/46/49/70/375464970.db2.gz RIYGIZFKDOTZGR-QZXWKGOOSA-N 1 0 295.404 2.859 50 0 CFAARO CC[C@@H]([NH3+])C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000095971099 375465056 /nfs/dbraw/zinc/46/50/56/375465056.db2.gz RQUWZHZRPNNZTI-CYBMUJFWSA-N 1 0 260.381 2.611 50 0 CFAARO Cc1cnn(-c2ccc(N[C@H]3C[N@@H+](C)C[C@@H]3C)cc2F)c1 ZINC000095971961 375465453 /nfs/dbraw/zinc/46/54/53/375465453.db2.gz FGGABPFQXWWFAE-WFASDCNBSA-N 1 0 288.370 2.682 50 0 CFAARO c1[nH]nc2c1cccc2C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000095988978 375467260 /nfs/dbraw/zinc/46/72/60/375467260.db2.gz WBEVGFVWKDAEJR-MRXNPFEDSA-N 1 0 292.386 2.931 50 0 CFAARO Cc1[nH+]c(N2CCOCC2)ccc1NC1CCSCC1 ZINC000095992242 375467283 /nfs/dbraw/zinc/46/72/83/375467283.db2.gz NTNXDWCNDOOSOW-UHFFFAOYSA-N 1 0 293.436 2.534 50 0 CFAARO C[C@H](c1cccc(-c2ccc(=O)n(C)n2)c1)[NH+]1CCCC1 ZINC000096137474 375468292 /nfs/dbraw/zinc/46/82/92/375468292.db2.gz LOBDVJKHFBXQBA-CYBMUJFWSA-N 1 0 283.375 2.604 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](C2=CCCCC2)N1 ZINC000095115686 375416084 /nfs/dbraw/zinc/41/60/84/375416084.db2.gz RYLPNTJUEPJBTN-CYBMUJFWSA-N 1 0 267.336 2.585 50 0 CFAARO CCc1c(C)[nH+]c(N)nc1N[C@@H](C)c1ccc(C)cn1 ZINC000095359229 375420235 /nfs/dbraw/zinc/42/02/35/375420235.db2.gz YOCLQGGRKQOHRY-NSHDSACASA-N 1 0 271.368 2.806 50 0 CFAARO Cc1ccc(F)c(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1Cl ZINC000095366527 375421419 /nfs/dbraw/zinc/42/14/19/375421419.db2.gz VMAJBJABLGYTAH-PWSUYJOCSA-N 1 0 296.773 2.597 50 0 CFAARO Cc1cc(CN(C)C(=O)CCC[NH+]2CCCCC2)ccn1 ZINC000095363692 375422073 /nfs/dbraw/zinc/42/20/73/375422073.db2.gz OPBASUIUQPWUKM-UHFFFAOYSA-N 1 0 289.423 2.615 50 0 CFAARO Cc1cc(C)c(CNC(=O)CCC[NH+]2CCCCC2)cn1 ZINC000095370722 375422708 /nfs/dbraw/zinc/42/27/08/375422708.db2.gz LDSXVNPSBAXALR-UHFFFAOYSA-N 1 0 289.423 2.581 50 0 CFAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1occc1C ZINC000095402522 375431516 /nfs/dbraw/zinc/43/15/16/375431516.db2.gz KARGBLSOTYVYDV-ZFWWWQNUSA-N 1 0 290.407 2.715 50 0 CFAARO CC[C@H](O)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC000095415723 375437837 /nfs/dbraw/zinc/43/78/37/375437837.db2.gz LRRWTQKDCIZWOE-ZDUSSCGKSA-N 1 0 282.815 2.987 50 0 CFAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415405 375437872 /nfs/dbraw/zinc/43/78/72/375437872.db2.gz MJDBEOQEUYCCDO-NSHDSACASA-N 1 0 276.409 2.785 50 0 CFAARO C[C@H](C[NH2+]Cc1cc(F)cc2cccnc21)Cn1ccnc1 ZINC000095415424 375438032 /nfs/dbraw/zinc/43/80/32/375438032.db2.gz SHFVUGBZAQGIKB-CYBMUJFWSA-N 1 0 298.365 2.996 50 0 CFAARO NC(=O)N1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000095421813 375440323 /nfs/dbraw/zinc/44/03/23/375440323.db2.gz PPAXYIHSLAVZLB-MRXNPFEDSA-N 1 0 287.407 2.661 50 0 CFAARO C[NH2+]Cc1cccc(NC(=O)Cc2cc(F)ccc2F)c1 ZINC000095427850 375444297 /nfs/dbraw/zinc/44/42/97/375444297.db2.gz SVPNCLGILBNBAI-UHFFFAOYSA-N 1 0 290.313 2.865 50 0 CFAARO COC[C@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000095431526 375446907 /nfs/dbraw/zinc/44/69/07/375446907.db2.gz ROESRNKXLRAXBL-QZTJIDSGSA-N 1 0 285.387 2.681 50 0 CFAARO COc1cc(C[NH2+]C[C@H]2CSCCS2)ccc1F ZINC000095437404 375449427 /nfs/dbraw/zinc/44/94/27/375449427.db2.gz GDNDOKQXUPUKJB-NSHDSACASA-N 1 0 287.425 2.773 50 0 CFAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cscn1 ZINC000095448866 375453226 /nfs/dbraw/zinc/45/32/26/375453226.db2.gz DRSJEVNADALRGC-YGRLFVJLSA-N 1 0 280.368 2.884 50 0 CFAARO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1cscn1 ZINC000095448911 375453426 /nfs/dbraw/zinc/45/34/26/375453426.db2.gz OILBUJGMFYPHLY-ONGXEEELSA-N 1 0 268.407 2.806 50 0 CFAARO Cc1ncccc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000095448859 375453606 /nfs/dbraw/zinc/45/36/06/375453606.db2.gz WGRNRDVPSYSEPT-SMDDNHRTSA-N 1 0 260.337 2.585 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cnn(C)c1 ZINC000097145311 375530426 /nfs/dbraw/zinc/53/04/26/375530426.db2.gz YFDBJRDFQQWWSC-OAHLLOKOSA-N 1 0 285.391 2.638 50 0 CFAARO COC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000097148074 375531950 /nfs/dbraw/zinc/53/19/50/375531950.db2.gz WRLCGEFUOINNKD-HOCLYGCPSA-N 1 0 291.391 2.568 50 0 CFAARO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C[C@H]1CCOC1 ZINC000097160031 375533595 /nfs/dbraw/zinc/53/35/95/375533595.db2.gz QBMNTYWGWSQSOL-GFCCVEGCSA-N 1 0 297.358 2.949 50 0 CFAARO Cn1cc(C[NH2+]Cc2cccs2)c(-c2ccncc2)n1 ZINC000097159683 375534245 /nfs/dbraw/zinc/53/42/45/375534245.db2.gz JDDCRCITPCLDGV-UHFFFAOYSA-N 1 0 284.388 2.833 50 0 CFAARO Cn1cc(C[NH2+]Cc2cccc(F)c2)c(-c2ccncc2)n1 ZINC000097159846 375534366 /nfs/dbraw/zinc/53/43/66/375534366.db2.gz MDRNRCBPJHUBIJ-UHFFFAOYSA-N 1 0 296.349 2.911 50 0 CFAARO Cn1cc(C2CC[NH+](Cc3nc4ccccc4o3)CC2)cn1 ZINC000097203278 375538537 /nfs/dbraw/zinc/53/85/37/375538537.db2.gz ZSLVOOSJUHGPES-UHFFFAOYSA-N 1 0 296.374 2.941 50 0 CFAARO Cc1cccc(NC[C@H]2CC[N@@H+](CCOC(C)C)C2)n1 ZINC000097200892 375539371 /nfs/dbraw/zinc/53/93/71/375539371.db2.gz AHGPMLSFFXCMBG-OAHLLOKOSA-N 1 0 277.412 2.549 50 0 CFAARO Cc1ccc(N2CCC([NH2+]C3CCSCC3)CC2)nc1 ZINC000096478326 375489633 /nfs/dbraw/zinc/48/96/33/375489633.db2.gz ZKWWZBDRPGJHTG-UHFFFAOYSA-N 1 0 291.464 2.844 50 0 CFAARO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCOc2ccccc21 ZINC000097234095 375543295 /nfs/dbraw/zinc/54/32/95/375543295.db2.gz KZHDCTHZAUZDRM-ZFWWWQNUSA-N 1 0 271.364 2.775 50 0 CFAARO Brc1cccc(NCC[NH2+]C2CCOCC2)c1 ZINC000097048130 375502654 /nfs/dbraw/zinc/50/26/54/375502654.db2.gz KXVKQTFOIYUOSZ-UHFFFAOYSA-N 1 0 299.212 2.630 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000097048989 375502759 /nfs/dbraw/zinc/50/27/59/375502759.db2.gz DRXSFCXBBDWFOS-QWHCGFSZSA-N 1 0 273.384 2.536 50 0 CFAARO CO[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000097081035 375509341 /nfs/dbraw/zinc/50/93/41/375509341.db2.gz DGRJVBXOWMOTNQ-KGLIPLIRSA-N 1 0 295.452 2.659 50 0 CFAARO Cc1cnc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)s1 ZINC000097085143 375512426 /nfs/dbraw/zinc/51/24/26/375512426.db2.gz ZCCSUARAKYBKNJ-GWCFXTLKSA-N 1 0 280.368 2.975 50 0 CFAARO COC[C@H](O)CCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000097086039 375513566 /nfs/dbraw/zinc/51/35/66/375513566.db2.gz LPFBOOTWLQNQES-CYBMUJFWSA-N 1 0 274.364 2.661 50 0 CFAARO CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)(C)CO ZINC000097096443 375516755 /nfs/dbraw/zinc/51/67/55/375516755.db2.gz PAJNUROQLUTZGO-UHFFFAOYSA-N 1 0 298.814 2.680 50 0 CFAARO Cc1cnc([C@H](C)[NH2+]CCN2CCCCC2)s1 ZINC000097112405 375523150 /nfs/dbraw/zinc/52/31/50/375523150.db2.gz XXUOOEAQEJIYSP-LBPRGKRZSA-N 1 0 253.415 2.588 50 0 CFAARO CC(C)[NH+]1CCC(N[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097238352 375545133 /nfs/dbraw/zinc/54/51/33/375545133.db2.gz PIAUWTBQNUPLCJ-MRXNPFEDSA-N 1 0 296.842 2.836 50 0 CFAARO CC[C@H](C(=O)Nc1nccc2sccc21)[NH+](C)C ZINC000097141929 375528550 /nfs/dbraw/zinc/52/85/50/375528550.db2.gz LZRMMAWBTJBPGR-SNVBAGLBSA-N 1 0 263.366 2.575 50 0 CFAARO CCc1cc(Cl)ccc1NC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000097370252 375551826 /nfs/dbraw/zinc/55/18/26/375551826.db2.gz QZVRNXQZLPRAIH-RYUDHWBXSA-N 1 0 299.777 2.724 50 0 CFAARO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccncc1 ZINC000097370647 375552096 /nfs/dbraw/zinc/55/20/96/375552096.db2.gz QAFCYTQWLRHUQE-AWEZNQCLSA-N 1 0 289.423 2.771 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCCCC2 ZINC000097370970 375552245 /nfs/dbraw/zinc/55/22/45/375552245.db2.gz BAMMSXSUBCJYTG-JJXSEGSLSA-N 1 0 279.424 2.641 50 0 CFAARO CC1([C@@H]2CCC[N@H+](Cc3ccsc3)C2)OCCO1 ZINC000097373169 375552652 /nfs/dbraw/zinc/55/26/52/375552652.db2.gz BCQDNJLOBBPYJF-CYBMUJFWSA-N 1 0 267.394 2.723 50 0 CFAARO COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c(C)s1 ZINC000097374188 375552888 /nfs/dbraw/zinc/55/28/88/375552888.db2.gz TZLJEHZIPGSQAG-JOYOIKCWSA-N 1 0 283.393 2.500 50 0 CFAARO CCC(=O)O[C@]1(c2ccc(C)cc2)CC[N@H+](C)[C@H]1C ZINC000255999724 190000729 /nfs/dbraw/zinc/00/07/29/190000729.db2.gz ROOQMFGONPGNRH-XJKSGUPXSA-N 1 0 261.365 2.868 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCCc1ccccc1F ZINC000097594847 375569901 /nfs/dbraw/zinc/56/99/01/375569901.db2.gz ZKXHKPWORVVVHG-INIZCTEOSA-N 1 0 292.398 2.749 50 0 CFAARO Cc1ccc(-c2ccc(C(=O)NCC[NH+](C)C)c(C)n2)cc1 ZINC000257173314 190006262 /nfs/dbraw/zinc/00/62/62/190006262.db2.gz JOTFVVXWAVYYNB-UHFFFAOYSA-N 1 0 297.402 2.657 50 0 CFAARO O=C(Nc1ccc(F)cc1)N1CCC([NH+]2CC=CC2)CC1 ZINC000104230952 375775399 /nfs/dbraw/zinc/77/53/99/375775399.db2.gz XESRORBZESSNJX-UHFFFAOYSA-N 1 0 289.354 2.694 50 0 CFAARO OC1(C[NH2+]Cc2ccc(Cl)cc2Cl)CCOCC1 ZINC000112717166 375955209 /nfs/dbraw/zinc/95/52/09/375955209.db2.gz YSMJMHBCNPUZTJ-UHFFFAOYSA-N 1 0 290.190 2.625 50 0 CFAARO CC[C@@H](C)COCn1cc[n+](COCc2ccccc2)c1 ZINC000261492964 190039430 /nfs/dbraw/zinc/03/94/30/190039430.db2.gz RHTDLVABONIILB-MRXNPFEDSA-N 1 0 289.399 2.970 50 0 CFAARO CSC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000131585711 377733861 /nfs/dbraw/zinc/73/38/61/377733861.db2.gz XTZZDGAGSLXOLZ-UWVGGRQHSA-N 1 0 253.367 2.817 50 0 CFAARO Clc1ccccc1O[C@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000133354098 377924199 /nfs/dbraw/zinc/92/41/99/377924199.db2.gz AXCXPXQKNDJFDP-ZDUSSCGKSA-N 1 0 291.782 2.690 50 0 CFAARO C[NH2+]CC1CCN(C(=O)/C=C/c2ccc(C)cc2C)CC1 ZINC000152297360 378408306 /nfs/dbraw/zinc/40/83/06/378408306.db2.gz QBXIMDVQYIALTN-VOTSOKGWSA-N 1 0 286.419 2.775 50 0 CFAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cnn(C)c2)cc1 ZINC000170605638 379126239 /nfs/dbraw/zinc/12/62/39/379126239.db2.gz RXHZMYZTRAXUSA-UHFFFAOYSA-N 1 0 286.379 2.514 50 0 CFAARO C[N@@H+](Cc1ccc(Cl)cc1F)C[C@H]1CCOC1 ZINC000171669451 379365546 /nfs/dbraw/zinc/36/55/46/379365546.db2.gz BDPLWLYGOAILIR-SNVBAGLBSA-N 1 0 257.736 2.947 50 0 CFAARO Cc1ccccc1C(C)(C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000179218096 380520543 /nfs/dbraw/zinc/52/05/43/380520543.db2.gz KPKBBEBDEUAOPX-LSDHHAIUSA-N 1 0 288.435 2.858 50 0 CFAARO O=C1C[N+](=O)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000036685787 296314039 /nfs/dbraw/zinc/31/40/39/296314039.db2.gz UBVFTAANHVKCRX-HNNXBMFYSA-N 1 0 286.718 2.963 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000408519218 380938470 /nfs/dbraw/zinc/93/84/70/380938470.db2.gz UCKNIQKRPZYAFE-RABLLNBGSA-N 1 0 292.810 2.782 50 0 CFAARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1cccc(Cl)c1 ZINC000000196398 169571308 /nfs/dbraw/zinc/57/13/08/169571308.db2.gz JDMFQXLAGLWHOH-AWEZNQCLSA-N 1 0 298.839 2.866 50 0 CFAARO Clc1ccccc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000186212730 381853332 /nfs/dbraw/zinc/85/33/32/381853332.db2.gz SPBIHNBVUMZHRP-UHFFFAOYSA-N 1 0 290.798 2.844 50 0 CFAARO c1cc(C[NH2+]C2CCCCC2)cc(N2CCOCC2)c1 ZINC000293002758 381944433 /nfs/dbraw/zinc/94/44/33/381944433.db2.gz OYKKECIBDCHRSY-UHFFFAOYSA-N 1 0 274.408 2.946 50 0 CFAARO Cc1ccccc1C[N@H+](CCn1cccn1)C[C@@H]1CCCO1 ZINC000299766936 382043341 /nfs/dbraw/zinc/04/33/41/382043341.db2.gz DXMOXOPJPNBYDP-SFHVURJKSA-N 1 0 299.418 2.873 50 0 CFAARO c1ccc(C[NH2+]Cc2cccc(OC[C@H]3CCOC3)c2)nc1 ZINC000299760406 382043543 /nfs/dbraw/zinc/04/35/43/382043543.db2.gz GJWLHEMYRFIZQN-INIZCTEOSA-N 1 0 298.386 2.787 50 0 CFAARO c1cncc(C[NH2+]Cc2ccc(OC[C@@H]3CCOC3)cc2)c1 ZINC000299770642 382043569 /nfs/dbraw/zinc/04/35/69/382043569.db2.gz XQBSDYBNEHIIPF-QGZVFWFLSA-N 1 0 298.386 2.787 50 0 CFAARO Cc1ccc(C(=O)N2CC=C(C)CC2)cc1OCCC[NH3+] ZINC000299767570 382043700 /nfs/dbraw/zinc/04/37/00/382043700.db2.gz HQOQTTACOUYVMI-UHFFFAOYSA-N 1 0 288.391 2.515 50 0 CFAARO Cc1ccc(CC2(NC(=O)[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC000299767198 382043729 /nfs/dbraw/zinc/04/37/29/382043729.db2.gz HKZUDGCVWDJXRT-OAHLLOKOSA-N 1 0 274.408 2.560 50 0 CFAARO c1cnn(CC[NH+]2CCC3(C=Cc4ccccc43)CC2)c1 ZINC000299790608 382048929 /nfs/dbraw/zinc/04/89/29/382048929.db2.gz BPPSSJUWVDTHJH-UHFFFAOYSA-N 1 0 279.387 2.944 50 0 CFAARO CO[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000300102160 382057180 /nfs/dbraw/zinc/05/71/80/382057180.db2.gz XLYFUFJTWUWSCW-CQSZACIVSA-N 1 0 265.328 2.509 50 0 CFAARO C[C@@H](C[NH2+]Cc1ccnn1C)c1cccc(Cl)c1 ZINC000187658506 382236461 /nfs/dbraw/zinc/23/64/61/382236461.db2.gz UEPZYVRLORSTPS-NSHDSACASA-N 1 0 263.772 2.967 50 0 CFAARO COc1ccc2[nH]c(SC[C@H]3CC[N@H+](C)C3)nc2c1 ZINC000187651571 382236642 /nfs/dbraw/zinc/23/66/42/382236642.db2.gz DPFJSAMGAKPTIQ-JTQLQIEISA-N 1 0 277.393 2.615 50 0 CFAARO C[C@@H](C[NH2+]C[C@@]1(O)CCSC1)c1cccc(Cl)c1 ZINC000188091080 382342861 /nfs/dbraw/zinc/34/28/61/382342861.db2.gz XGAVAYNARSHXDN-FZMZJTMJSA-N 1 0 285.840 2.901 50 0 CFAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](O)CC1 ZINC000294086941 382409771 /nfs/dbraw/zinc/40/97/71/382409771.db2.gz RGZFMWSJDRSKSC-NFBGWVBBSA-N 1 0 261.365 2.555 50 0 CFAARO CSC1(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000367382207 382567971 /nfs/dbraw/zinc/56/79/71/382567971.db2.gz QWQLWVXEAULQDG-HNNXBMFYSA-N 1 0 276.449 2.871 50 0 CFAARO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C=CCCC1 ZINC000190210937 382657070 /nfs/dbraw/zinc/65/70/70/382657070.db2.gz RBSHNZZQVYYVFT-OAHLLOKOSA-N 1 0 279.428 2.613 50 0 CFAARO Cn1ccnc1CSCC[N@H+](C)Cc1ccccc1 ZINC000193626296 382721641 /nfs/dbraw/zinc/72/16/41/382721641.db2.gz JEXGOUPFICEOAD-UHFFFAOYSA-N 1 0 275.421 2.785 50 0 CFAARO C[N@H+](CCn1cccn1)[C@@H]1CCCc2ccccc21 ZINC000193902733 382728845 /nfs/dbraw/zinc/72/88/45/382728845.db2.gz CPWBMICLURWWML-MRXNPFEDSA-N 1 0 255.365 2.893 50 0 CFAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000195541218 382769188 /nfs/dbraw/zinc/76/91/88/382769188.db2.gz PVRFPIAGPKRJRC-MDYRTPRTSA-N 1 0 291.460 2.823 50 0 CFAARO Cc1noc(C)c1N(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000195543526 382769203 /nfs/dbraw/zinc/76/92/03/382769203.db2.gz YARZTIJNNHQETG-CQSZACIVSA-N 1 0 287.363 2.734 50 0 CFAARO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](C)[NH3+] ZINC000211765152 382775500 /nfs/dbraw/zinc/77/55/00/382775500.db2.gz SWXXMSKKFNCQJY-MRVPVSSYSA-N 1 0 275.179 2.689 50 0 CFAARO O[C@@H]1CC[N@H+](Cc2ccccc2OC2CCCC2)C1 ZINC000215012275 382777425 /nfs/dbraw/zinc/77/74/25/382777425.db2.gz APYKDENPJIYBQY-CQSZACIVSA-N 1 0 261.365 2.575 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc3sccc3c2)C1 ZINC000214976395 382777676 /nfs/dbraw/zinc/77/76/76/382777676.db2.gz SEVXZDKLABHJFK-QWHCGFSZSA-N 1 0 274.389 2.645 50 0 CFAARO CCc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)o1 ZINC000215310351 382777891 /nfs/dbraw/zinc/77/78/91/382777891.db2.gz AIWHADLKZLFXRK-CQSZACIVSA-N 1 0 262.397 2.902 50 0 CFAARO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1cccc2nonc21 ZINC000215224045 382778177 /nfs/dbraw/zinc/77/81/77/382778177.db2.gz SMWNDMDSQMAZOT-ZDUSSCGKSA-N 1 0 296.374 2.989 50 0 CFAARO C[C@@H](C[NH+]1CCC(c2ccncn2)CC1)C(F)(F)F ZINC000215377346 382778486 /nfs/dbraw/zinc/77/84/86/382778486.db2.gz DNILYHFGYMBXEI-JTQLQIEISA-N 1 0 273.302 2.854 50 0 CFAARO CCc1ccc(C[NH+]2CCC(Cc3nc(C)no3)CC2)o1 ZINC000215434726 382779202 /nfs/dbraw/zinc/77/92/02/382779202.db2.gz HIUPXQIAJCMGOL-UHFFFAOYSA-N 1 0 289.379 2.988 50 0 CFAARO c1ccc([C@@H](CNc2ncncn2)[NH+]2CCCCCC2)cc1 ZINC000219932185 382794882 /nfs/dbraw/zinc/79/48/82/382794882.db2.gz KKSHGXRPJBQJHX-MRXNPFEDSA-N 1 0 297.406 2.901 50 0 CFAARO CCc1nnc(C[N@H+](CC)C[C@H]2CCOC(C)(C)C2)o1 ZINC000216011585 382781724 /nfs/dbraw/zinc/78/17/24/382781724.db2.gz FCCWPAFDJOQUPW-LBPRGKRZSA-N 1 0 281.400 2.659 50 0 CFAARO COCC1([N@H+](C)Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000216107094 382782153 /nfs/dbraw/zinc/78/21/53/382782153.db2.gz OQTWMQVHKVFYSZ-UHFFFAOYSA-N 1 0 289.354 2.622 50 0 CFAARO COCC1([N@H+](C)Cc2ccccc2Cn2cccn2)CC1 ZINC000216111914 382782184 /nfs/dbraw/zinc/78/21/84/382782184.db2.gz HLMXPUCRSMYPNJ-UHFFFAOYSA-N 1 0 285.391 2.542 50 0 CFAARO Cc1c[nH]c(CN(C)Cc2cc3c(cc2Cl)OCO3)n1 ZINC000216230694 382782417 /nfs/dbraw/zinc/78/24/17/382782417.db2.gz OJJJFKWKXBMCPW-UHFFFAOYSA-N 1 0 293.754 2.732 50 0 CFAARO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H](CCO)CSC ZINC000194899111 382757459 /nfs/dbraw/zinc/75/74/59/382757459.db2.gz SFGJFOLMASOFCV-WFASDCNBSA-N 1 0 295.448 2.776 50 0 CFAARO CCCn1c(C)cnc1[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000575316589 382758222 /nfs/dbraw/zinc/75/82/22/382758222.db2.gz QLLJLZXLRZVZMD-INIZCTEOSA-N 1 0 284.407 2.986 50 0 CFAARO C[C@H](C[N@H+](C)Cc1cccc(C(=O)[O-])c1)C[NH+]1CCCC1 ZINC000219308395 382793296 /nfs/dbraw/zinc/79/32/96/382793296.db2.gz PGXRQANREHUEJZ-CQSZACIVSA-N 1 0 290.407 2.549 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000221718186 382799348 /nfs/dbraw/zinc/79/93/48/382799348.db2.gz UGDJMGGLEZTWIH-BZPMIXESSA-N 1 0 264.417 2.911 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](O)c1ccncc1 ZINC000221888347 382799823 /nfs/dbraw/zinc/79/98/23/382799823.db2.gz VTBMCCSRFGDGMH-CWRNSKLLSA-N 1 0 260.381 2.697 50 0 CFAARO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000221907252 382799924 /nfs/dbraw/zinc/79/99/24/382799924.db2.gz REXJQLRIFMVZCE-TUKIKUTGSA-N 1 0 294.370 2.700 50 0 CFAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000222113580 382800907 /nfs/dbraw/zinc/80/09/07/382800907.db2.gz VKSOMXKVWZBIDT-GDZNZVCISA-N 1 0 286.375 2.863 50 0 CFAARO CC[C@H](NC(=O)CC[NH+]1CCCCC1)c1ccncc1 ZINC000223671081 382806066 /nfs/dbraw/zinc/80/60/66/382806066.db2.gz RDGUSVYIAQQRDQ-HNNXBMFYSA-N 1 0 275.396 2.525 50 0 CFAARO CC[C@@H](NC(=O)CC[NH+]1CCCCC1)c1ccncc1 ZINC000223671036 382806385 /nfs/dbraw/zinc/80/63/85/382806385.db2.gz RDGUSVYIAQQRDQ-OAHLLOKOSA-N 1 0 275.396 2.525 50 0 CFAARO [NH3+]C1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)CC1 ZINC000223898688 382807651 /nfs/dbraw/zinc/80/76/51/382807651.db2.gz KPBDWUMWYLAIDQ-PLNGDYQASA-N 1 0 299.201 2.956 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000229104820 382850507 /nfs/dbraw/zinc/85/05/07/382850507.db2.gz LHIIWSZSBBRDDG-CHWSQXEVSA-N 1 0 269.410 2.500 50 0 CFAARO Cc1noc([C@H]2COCCN2C[C@H]2C(C)=CCC[C@@H]2C)n1 ZINC000225406218 382815311 /nfs/dbraw/zinc/81/53/11/382815311.db2.gz RLFAYVGEOPPVNB-AEGPPILISA-N 1 0 291.395 2.744 50 0 CFAARO COc1cc(-c2ccccc2)ccc1CN1CC[C@@H]([NH3+])C1 ZINC000225434866 382815822 /nfs/dbraw/zinc/81/58/22/382815822.db2.gz DJCQRLXAVOCXRG-QGZVFWFLSA-N 1 0 282.387 2.895 50 0 CFAARO C[NH2+]CC(=O)NCc1ccccc1Sc1ccccc1 ZINC000225471790 382816582 /nfs/dbraw/zinc/81/65/82/382816582.db2.gz SUYVXMRNQDZXCE-UHFFFAOYSA-N 1 0 286.400 2.673 50 0 CFAARO C[C@@H](CNc1c(F)c(F)nc(F)c1F)[N@H+](C)C1CC1 ZINC000225466654 382816609 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ZINC000225584433 382818691 /nfs/dbraw/zinc/81/86/91/382818691.db2.gz KCHIJLDZXZKIEX-CYBMUJFWSA-N 1 0 270.380 2.549 50 0 CFAARO O=C(NC[C@H]1CCCN1c1ccccn1)c1ccc(F)cc1 ZINC000225629555 382819427 /nfs/dbraw/zinc/81/94/27/382819427.db2.gz OHVWHNPLAXCEMH-OAHLLOKOSA-N 1 0 299.349 2.620 50 0 CFAARO c1ccc(CC[NH2+][C@H]2CCCC23CCOCC3)nc1 ZINC000225635598 382819458 /nfs/dbraw/zinc/81/94/58/382819458.db2.gz PVGAXYZXIVGTND-HNNXBMFYSA-N 1 0 260.381 2.563 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000229569208 382852363 /nfs/dbraw/zinc/85/23/63/382852363.db2.gz YCGKNFONOVVLJH-ZMSDIMECSA-N 1 0 287.407 2.638 50 0 CFAARO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000229857447 382853318 /nfs/dbraw/zinc/85/33/18/382853318.db2.gz BMZBEFCUGUJMTP-YNKQFZHNSA-N 1 0 286.466 2.621 50 0 CFAARO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)CC1CC1)CC2 ZINC000230140014 382856057 /nfs/dbraw/zinc/85/60/57/382856057.db2.gz AKUJRRWQNRCOKQ-IMJJTQAJSA-N 1 0 293.455 2.832 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(/C)c2ccccc2F)C1 ZINC000237307470 382956101 /nfs/dbraw/zinc/95/61/01/382956101.db2.gz DTFQDVRSPMSNFE-QLKUMGTLSA-N 1 0 290.382 2.687 50 0 CFAARO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237577573 382964925 /nfs/dbraw/zinc/96/49/25/382964925.db2.gz IUAIFQMJLHDHSC-MRRJBJDNSA-N 1 0 290.382 2.530 50 0 CFAARO C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CC[NH3+] ZINC000237393090 382958905 /nfs/dbraw/zinc/95/89/05/382958905.db2.gz AQIIAAKTMUTEMA-MNOVXSKESA-N 1 0 268.788 2.639 50 0 CFAARO CC(C)c1cccc(OCC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000236794912 382918898 /nfs/dbraw/zinc/91/88/98/382918898.db2.gz DNWGXADNNGRNIF-DZGCQCFKSA-N 1 0 290.407 2.527 50 0 CFAARO Cc1nccc(C2CC[NH+](CCCc3cccnc3)CC2)n1 ZINC000240662451 382982830 /nfs/dbraw/zinc/98/28/30/382982830.db2.gz PLFQSCJZDDGEMH-UHFFFAOYSA-N 1 0 296.418 2.992 50 0 CFAARO Cc1sc2ncnc(N3CC[N@@H+]4CCC[C@H]4C3)c2c1C ZINC000241693836 382984567 /nfs/dbraw/zinc/98/45/67/382984567.db2.gz 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QMYAXNWEHIMTCH-INIZCTEOSA-N 1 0 297.402 2.814 50 0 CFAARO Cc1csc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)n1 ZINC000261578419 383517971 /nfs/dbraw/zinc/51/79/71/383517971.db2.gz OXVXFSVQTNIBGN-NSHDSACASA-N 1 0 267.398 2.688 50 0 CFAARO Cc1ccc(C(C)(C)CC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000262172921 383610805 /nfs/dbraw/zinc/61/08/05/383610805.db2.gz YQXXEBDNDAERBQ-GOSISDBHSA-N 1 0 288.435 2.860 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cn1 ZINC000636440573 383817854 /nfs/dbraw/zinc/81/78/54/383817854.db2.gz QTDLVSDKKXDXHK-DLBZAZTESA-N 1 0 298.386 2.788 50 0 CFAARO C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000453193467 383796870 /nfs/dbraw/zinc/79/68/70/383796870.db2.gz IEDVWSPPQDVXMG-IIDMSEBBSA-N 1 0 298.434 2.689 50 0 CFAARO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@]2(CCOC2)O1 ZINC000280154327 384907874 /nfs/dbraw/zinc/90/78/74/384907874.db2.gz DWSRFXOTNHZXJG-AJFISWQDSA-N 1 0 273.376 2.580 50 0 CFAARO CN(C)[C@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271162552 385357869 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Cc1ccc2cccc(C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)c2n1 ZINC000269257331 132144538 /nfs/dbraw/zinc/14/45/38/132144538.db2.gz IDFOIYALIHALJY-UKRRQHHQSA-N 1 0 297.402 2.743 50 0 CFAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000000210903 393450185 /nfs/dbraw/zinc/45/01/85/393450185.db2.gz BURFTISEHCNLAU-OAHLLOKOSA-N 1 0 277.408 2.820 50 0 CFAARO Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)s1 ZINC000001408244 393452565 /nfs/dbraw/zinc/45/25/65/393452565.db2.gz UQNQKBYHVFARND-GFCCVEGCSA-N 1 0 283.360 2.503 50 0 CFAARO C[C@@H]1CN(C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000002734585 393454085 /nfs/dbraw/zinc/45/40/85/393454085.db2.gz LGZGLORGIAFKQY-GASCZTMLSA-N 1 0 280.456 2.893 50 0 CFAARO C1C[C@H]2CN(C3C4CC5CC(C4)CC3C5)CC[N@@H+]2C1 ZINC000019637776 393483638 /nfs/dbraw/zinc/48/36/38/393483638.db2.gz KWORYKSPKDSKKG-IKXAHOJESA-N 1 0 260.425 2.591 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000012505962 393473815 /nfs/dbraw/zinc/47/38/15/393473815.db2.gz BPFDKUCSVLPAQY-ZIAGYGMSSA-N 1 0 276.380 2.738 50 0 CFAARO Cc1ccc(-c2n[nH+]c(NN)c3ccccc32)cc1 ZINC000022018825 393488579 /nfs/dbraw/zinc/48/85/79/393488579.db2.gz CUFBPPABEXPZDH-UHFFFAOYSA-N 1 0 250.305 2.891 50 0 CFAARO C[NH+](C)C1(CNC(=O)[C@]2(C)CC2(Cl)Cl)CCCC1 ZINC000042765397 393554977 /nfs/dbraw/zinc/55/49/77/393554977.db2.gz QPDRNZGEOZYCIE-NSHDSACASA-N 1 0 293.238 2.561 50 0 CFAARO CC[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)cccc2C)C1 ZINC000046955904 393584437 /nfs/dbraw/zinc/58/44/37/393584437.db2.gz MHJZKFWFGCFBTC-CQSZACIVSA-N 1 0 275.396 2.767 50 0 CFAARO C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218909251 393759267 /nfs/dbraw/zinc/75/92/67/393759267.db2.gz AFRLSDPVVKZMCA-FRRDWIJNSA-N 1 0 278.371 2.863 50 0 CFAARO COc1ccc(-c2nc3c([nH]2)C[N@@H+](C2CCCC2)CC3)cn1 ZINC000223774549 393766081 /nfs/dbraw/zinc/76/60/81/393766081.db2.gz QOEMBMSCZDLYJO-UHFFFAOYSA-N 1 0 298.390 2.781 50 0 CFAARO C[C@H]1CCCN(C(=O)c2coc(-c3ccccc3)n2)[C@@H]1C[NH3+] ZINC000237661847 393793665 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C/C(=C/c1ccccc1)C[NH2+]CCC(=O)NC(C)C ZINC000096403159 393820342 /nfs/dbraw/zinc/82/03/42/393820342.db2.gz BVAUKONCMCUXJK-KAMYIIQDSA-N 1 0 260.381 2.594 50 0 CFAARO COC[C@@H](O)C[NH2+]C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000096406953 393821708 /nfs/dbraw/zinc/82/17/08/393821708.db2.gz UQZWSQXRKZURBV-LBPRGKRZSA-N 1 0 291.313 2.537 50 0 CFAARO CC[NH+](CC)CC(=O)N[C@@H](CSC)c1ccccc1 ZINC000096412776 393824600 /nfs/dbraw/zinc/82/46/00/393824600.db2.gz AOFNJSBTPQXVEC-AWEZNQCLSA-N 1 0 280.437 2.549 50 0 CFAARO CCCCCC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000096419572 393826896 /nfs/dbraw/zinc/82/68/96/393826896.db2.gz KOTAPDRPDZEGKR-UHFFFAOYSA-N 1 0 252.402 2.654 50 0 CFAARO CCOCC[NH+]1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000096421125 393828043 /nfs/dbraw/zinc/82/80/43/393828043.db2.gz RKCQDCYGRFCWGQ-UHFFFAOYSA-N 1 0 296.455 2.574 50 0 CFAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccn1 ZINC000096424135 393829845 /nfs/dbraw/zinc/82/98/45/393829845.db2.gz DODNJBPFNNHBBS-AWEZNQCLSA-N 1 0 293.374 2.855 50 0 CFAARO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000108497325 393874818 /nfs/dbraw/zinc/87/48/18/393874818.db2.gz SMLMQJYEXHKRDL-CYBMUJFWSA-N 1 0 287.407 2.639 50 0 CFAARO CC(C)C[N@@H+]1CC[C@@H](CN(C)Cc2cncn2C(C)C)C1 ZINC000097446948 393840739 /nfs/dbraw/zinc/84/07/39/393840739.db2.gz BOUXDYMOQDKKLH-INIZCTEOSA-N 1 0 292.471 2.874 50 0 CFAARO CSc1ccccc1C[C@@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000097370915 393841203 /nfs/dbraw/zinc/84/12/03/393841203.db2.gz XKPZZXVWQSTFRM-IUODEOHRSA-N 1 0 297.489 2.797 50 0 CFAARO Cc1cnccc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000252511630 393936684 /nfs/dbraw/zinc/93/66/84/393936684.db2.gz IWCLPZAQHOGIPC-BRWVUGGUSA-N 1 0 286.419 2.870 50 0 CFAARO CCCC(CCC)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000252510748 393936826 /nfs/dbraw/zinc/93/68/26/393936826.db2.gz ZPTCQQNZRYVZPE-JTQLQIEISA-N 1 0 251.378 2.627 50 0 CFAARO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000134525642 394199609 /nfs/dbraw/zinc/19/96/09/394199609.db2.gz HDLYDXGDQCFDCQ-CYBMUJFWSA-N 1 0 272.396 2.527 50 0 CFAARO CC(=O)Nc1cccc(-c2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC000032511796 134765867 /nfs/dbraw/zinc/76/58/67/134765867.db2.gz IHFWBAMJRODVTM-UHFFFAOYSA-N 1 0 295.386 2.722 50 0 CFAARO Cc1occc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000032739507 134768287 /nfs/dbraw/zinc/76/82/87/134768287.db2.gz FKNLYUXRSXABPI-UHFFFAOYSA-N 1 0 299.374 2.592 50 0 CFAARO CN(C(=O)[C@@H](C[NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000170048818 394371314 /nfs/dbraw/zinc/37/13/14/394371314.db2.gz AXOHYDMSNUTFTR-ZDUSSCGKSA-N 1 0 290.313 2.670 50 0 CFAARO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COC(C)C ZINC000170599643 394371491 /nfs/dbraw/zinc/37/14/91/394371491.db2.gz NBHFSBMZWIEKSW-GXTWGEPZSA-N 1 0 283.437 2.843 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)C/C(C)=C\c2ccccc2)C1 ZINC000538794253 394616274 /nfs/dbraw/zinc/61/62/74/394616274.db2.gz QEHOGCUKJFBNBI-RXBGNRNISA-N 1 0 286.419 2.890 50 0 CFAARO c1sc2ccccc2c1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097529037 285601032 /nfs/dbraw/zinc/60/10/32/285601032.db2.gz 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170027962 /nfs/dbraw/zinc/02/79/62/170027962.db2.gz TZVJNJMOBARIOQ-ZDUSSCGKSA-N 1 0 261.365 3.000 50 0 CFAARO Brc1cccc(OCC[NH+]2CCCC2)c1 ZINC000004845309 170029459 /nfs/dbraw/zinc/02/94/59/170029459.db2.gz KMOFOKGTZRFKEM-UHFFFAOYSA-N 1 0 270.170 2.924 50 0 CFAARO COC(=O)c1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004985797 170048963 /nfs/dbraw/zinc/04/89/63/170048963.db2.gz NGVRRFNTLUICMV-BETUJISGSA-N 1 0 261.365 2.951 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1cccc(Br)c1 ZINC000004993565 170051888 /nfs/dbraw/zinc/05/18/88/170051888.db2.gz JZWCNTHRWJJOLI-UHFFFAOYSA-N 1 0 285.185 2.729 50 0 CFAARO CC(C)C[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000005817291 170142966 /nfs/dbraw/zinc/14/29/66/170142966.db2.gz NOBKTUDBZVRCFS-UHFFFAOYSA-N 1 0 292.423 2.726 50 0 CFAARO C[C@H](O)C[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000005911942 170154210 /nfs/dbraw/zinc/15/42/10/170154210.db2.gz ZPPDEDVQDDIOQP-ZDUSSCGKSA-N 1 0 289.350 2.875 50 0 CFAARO CCCC[N@H+](CC)C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000005938924 170159478 /nfs/dbraw/zinc/15/94/78/170159478.db2.gz DIEPIFIUWYBJAB-INIZCTEOSA-N 1 0 293.407 2.751 50 0 CFAARO C[N@H+](CC(=O)NC1CCCCC1)C1CCCCC1 ZINC000006001437 170167294 /nfs/dbraw/zinc/16/72/94/170167294.db2.gz UCINIRMBUMCLIY-UHFFFAOYSA-N 1 0 252.402 2.700 50 0 CFAARO Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000006188203 170181372 /nfs/dbraw/zinc/18/13/72/170181372.db2.gz XRJOEVXXQAEBBS-AWEZNQCLSA-N 1 0 291.782 2.999 50 0 CFAARO C[NH+](C)CCCNC(=S)Nc1ccc(Cl)cc1 ZINC000006371947 170196069 /nfs/dbraw/zinc/19/60/69/170196069.db2.gz REPOIEHQYMCSAC-UHFFFAOYSA-N 1 0 271.817 2.578 50 0 CFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000006432380 170200767 /nfs/dbraw/zinc/20/07/67/170200767.db2.gz WUSJXFUVDVFZLS-HNNXBMFYSA-N 1 0 284.359 2.847 50 0 CFAARO O=C(C[NH2+]Cc1cccs1)Nc1ccccc1F ZINC000006473892 170203964 /nfs/dbraw/zinc/20/39/64/170203964.db2.gz AIPLWJDPBTUHIB-UHFFFAOYSA-N 1 0 264.325 2.616 50 0 CFAARO Cc1cccc(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000006742637 170238024 /nfs/dbraw/zinc/23/80/24/170238024.db2.gz SANZRLAGMNBKMF-UHFFFAOYSA-N 1 0 261.369 2.602 50 0 CFAARO CC(C)[C@@H](CC[NH2+]CCCN1CCOCC1)c1ccco1 ZINC000006764338 170242068 /nfs/dbraw/zinc/24/20/68/170242068.db2.gz AECBQGZXNSJBRA-MRXNPFEDSA-N 1 0 294.439 2.721 50 0 CFAARO CC[NH+](CC)CCCNC(=O)Nc1ccc(F)cc1F ZINC000006948638 170258520 /nfs/dbraw/zinc/25/85/20/170258520.db2.gz QZQYRRFNOPYGHR-UHFFFAOYSA-N 1 0 285.338 2.818 50 0 CFAARO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000006968320 170259424 /nfs/dbraw/zinc/25/94/24/170259424.db2.gz XAONJZAKHYIUSQ-MNOVXSKESA-N 1 0 268.788 2.904 50 0 CFAARO CCOc1ccc(Br)cc1C[NH2+]CCOC ZINC000008324520 170330939 /nfs/dbraw/zinc/33/09/39/170330939.db2.gz FBYPWFRRABSQDQ-UHFFFAOYSA-N 1 0 288.185 2.584 50 0 CFAARO C[NH2+]CCCNCc1ccc(-c2ccccc2F)o1 ZINC000008377164 170333760 /nfs/dbraw/zinc/33/37/60/170333760.db2.gz OGBZAZGZBVUIBQ-UHFFFAOYSA-N 1 0 262.328 2.785 50 0 CFAARO Cc1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1 ZINC000008816504 170356698 /nfs/dbraw/zinc/35/66/98/170356698.db2.gz ILARXIZEOAQJGO-UHFFFAOYSA-N 1 0 259.378 2.528 50 0 CFAARO CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062933 170362894 /nfs/dbraw/zinc/36/28/94/170362894.db2.gz CPFATZZKDSUXPE-UHFFFAOYSA-N 1 0 274.408 2.733 50 0 CFAARO C[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000009499848 170379236 /nfs/dbraw/zinc/37/92/36/170379236.db2.gz IPQMXBZRWJXFGK-UHFFFAOYSA-N 1 0 267.760 2.556 50 0 CFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccncc1 ZINC000009991927 170392921 /nfs/dbraw/zinc/39/29/21/170392921.db2.gz SRJXZNBNLTZOJI-UHFFFAOYSA-N 1 0 295.386 2.607 50 0 CFAARO Cc1csc2nc(C[N@@H+](C)C3CCCCC3)cc(=O)n12 ZINC000010030148 170396357 /nfs/dbraw/zinc/39/63/57/170396357.db2.gz NEPJRRMZTWSJDS-UHFFFAOYSA-N 1 0 291.420 2.829 50 0 CFAARO [NH3+]CCC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000011755205 170438752 /nfs/dbraw/zinc/43/87/52/170438752.db2.gz CCECKPDSPNSPBS-UHFFFAOYSA-N 1 0 254.333 2.569 50 0 CFAARO CCc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012892815 170517465 /nfs/dbraw/zinc/51/74/65/170517465.db2.gz LJTKZIZDGUNNAG-UHFFFAOYSA-N 1 0 274.408 2.852 50 0 CFAARO CC[NH2+]CC[C@H]1CCC(=O)N1C[C@H](C)c1ccccc1 ZINC000014967657 170650160 /nfs/dbraw/zinc/65/01/60/170650160.db2.gz WMGSOPJTXJGKJJ-GOEBONIOSA-N 1 0 274.408 2.781 50 0 CFAARO COCCC[NH2+]Cc1cc(Br)ccc1F ZINC000020142093 171028313 /nfs/dbraw/zinc/02/83/13/171028313.db2.gz GIAWGIQPZCVAPT-UHFFFAOYSA-N 1 0 276.149 2.714 50 0 CFAARO C[N@H+](CCCNC(=O)c1ccccc1O)Cc1ccccc1 ZINC000020260196 171116509 /nfs/dbraw/zinc/11/65/09/171116509.db2.gz OXPUUHBIZPDQGQ-UHFFFAOYSA-N 1 0 298.386 2.644 50 0 CFAARO Cc1ccc(SCCCCN2CC[NH2+]CC2)cc1 ZINC000020272527 171127597 /nfs/dbraw/zinc/12/75/97/171127597.db2.gz OBUAGBRWSIDKKW-UHFFFAOYSA-N 1 0 264.438 2.773 50 0 CFAARO O=C(Nc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1)C1CC1 ZINC000020441500 171205039 /nfs/dbraw/zinc/20/50/39/171205039.db2.gz RZOZVXYILBYKCO-MRXNPFEDSA-N 1 0 285.391 2.541 50 0 CFAARO Cn1cc(C[N@H+](C)CCOc2ccccc2Cl)cn1 ZINC000020540666 171241395 /nfs/dbraw/zinc/24/13/95/171241395.db2.gz ASPSBAFQLCCHKQ-UHFFFAOYSA-N 1 0 279.771 2.584 50 0 CFAARO CCC(=O)c1ccc(OCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020652534 171268682 /nfs/dbraw/zinc/26/86/82/171268682.db2.gz SWVGZKFTRCVHLX-KBPBESRZSA-N 1 0 291.391 2.767 50 0 CFAARO COCc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)o1 ZINC000020775832 171272029 /nfs/dbraw/zinc/27/20/29/171272029.db2.gz OQVNDYKXEVBVSQ-ZDUSSCGKSA-N 1 0 273.332 2.519 50 0 CFAARO Fc1ccccc1CN1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000020785497 171272465 /nfs/dbraw/zinc/27/24/65/171272465.db2.gz JUPUGGDFMAQXSE-KRWDZBQOSA-N 1 0 299.393 2.975 50 0 CFAARO Cc1cc(C[N@H+](C)CCCn2cnc3ccccc32)[nH]n1 ZINC000020821266 171273473 /nfs/dbraw/zinc/27/34/73/171273473.db2.gz WWJFFZGBMSLIJF-UHFFFAOYSA-N 1 0 283.379 2.590 50 0 CFAARO c1cn(-c2ncccc2C[NH2+]C2Cc3ccccc3C2)cn1 ZINC000020912484 171279360 /nfs/dbraw/zinc/27/93/60/171279360.db2.gz TTZLBERCZAIDIJ-UHFFFAOYSA-N 1 0 290.370 2.524 50 0 CFAARO CCCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000020925621 171280289 /nfs/dbraw/zinc/28/02/89/171280289.db2.gz ZRLXLUMXBNTUFW-UHFFFAOYSA-N 1 0 257.761 2.865 50 0 CFAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000022216167 171375946 /nfs/dbraw/zinc/37/59/46/171375946.db2.gz VTOJUZHJWUBFJD-KRWDZBQOSA-N 1 0 253.345 2.780 50 0 CFAARO c1ccc(OCCCCCCN2CC[NH2+]CC2)cc1 ZINC000022577180 171392316 /nfs/dbraw/zinc/39/23/16/171392316.db2.gz SJLTXOZNHPTBJS-UHFFFAOYSA-N 1 0 262.397 2.531 50 0 CFAARO Cc1ncsc1C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000651927695 413720127 /nfs/dbraw/zinc/72/01/27/413720127.db2.gz CSQORLVQQUZHDB-CQSZACIVSA-N 1 0 266.410 2.746 50 0 CFAARO C[NH+]1CCC(NCc2ccccc2OC(F)(F)F)CC1 ZINC000037250110 173062208 /nfs/dbraw/zinc/06/22/08/173062208.db2.gz BXULTJRIMXLDJU-UHFFFAOYSA-N 1 0 288.313 2.769 50 0 CFAARO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@H]1CCC[NH2+]1 ZINC000037497443 173236575 /nfs/dbraw/zinc/23/65/75/173236575.db2.gz VBDSLKXIVBRYGF-LLVKDONJSA-N 1 0 287.190 2.704 50 0 CFAARO COc1cc(C[NH3+])cc(Br)c1OCC(C)C ZINC000037506427 173241416 /nfs/dbraw/zinc/24/14/16/173241416.db2.gz UZEFTHONQLYQBT-UHFFFAOYSA-N 1 0 288.185 2.951 50 0 CFAARO [NH3+]C1CC2(C1)CCN(C(=O)OCc1ccccc1)CC2 ZINC000038540551 174146047 /nfs/dbraw/zinc/14/60/47/174146047.db2.gz MRPJBKSNZXBKSF-UHFFFAOYSA-N 1 0 274.364 2.527 50 0 CFAARO Cn1cccc1[C@H](CNC(=O)Nc1cccs1)[NH+](C)C ZINC000038674894 174151191 /nfs/dbraw/zinc/15/11/91/174151191.db2.gz CIROJKBHQWCLST-LBPRGKRZSA-N 1 0 292.408 2.511 50 0 CFAARO Cc1cccc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000039515213 174169507 /nfs/dbraw/zinc/16/95/07/174169507.db2.gz CMYPGNJEDGFJDQ-GOSISDBHSA-N 1 0 290.451 2.520 50 0 CFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C ZINC000040466638 174274915 /nfs/dbraw/zinc/27/49/15/174274915.db2.gz WJBFFHNPIZJWKZ-XJKSGUPXSA-N 1 0 274.408 2.801 50 0 CFAARO CC[C@@H](C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040498964 174296118 /nfs/dbraw/zinc/29/61/18/174296118.db2.gz RMOGPGTUBUZGIC-ZYHUDNBSSA-N 1 0 254.399 2.513 50 0 CFAARO CC/C=C(/C)C(=O)NCc1ccccc1C[NH+](C)C ZINC000040505147 174301602 /nfs/dbraw/zinc/30/16/02/174301602.db2.gz QSBWBJHXOXCWAE-JYRVWZFOSA-N 1 0 260.381 2.721 50 0 CFAARO CCOc1ccccc1NC(=O)NCCC[NH+]1CCCC1 ZINC000040526315 174314295 /nfs/dbraw/zinc/31/42/95/174314295.db2.gz LRIJISCDAXEMDC-UHFFFAOYSA-N 1 0 291.395 2.693 50 0 CFAARO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OC(C)C ZINC000040728683 174387693 /nfs/dbraw/zinc/38/76/93/174387693.db2.gz KYRARGIOGQSLNB-CQSZACIVSA-N 1 0 281.396 2.733 50 0 CFAARO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH2+]CCO ZINC000040729762 174388290 /nfs/dbraw/zinc/38/82/90/174388290.db2.gz NSAXGAGPSLPIOA-UHFFFAOYSA-N 1 0 278.179 2.863 50 0 CFAARO COc1cc(C[NH2+]CCCO)cc(Cl)c1OC(C)C ZINC000040743741 174390883 /nfs/dbraw/zinc/39/08/83/174390883.db2.gz XIMXYSQAMWDXAK-UHFFFAOYSA-N 1 0 287.787 2.608 50 0 CFAARO CCOC(=O)c1cccc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042772771 174872045 /nfs/dbraw/zinc/87/20/45/174872045.db2.gz JQRKYLNNHKIBFI-CYBMUJFWSA-N 1 0 277.364 2.632 50 0 CFAARO [NH3+]Cc1ccc(Oc2ncnc3sccc32)cc1 ZINC000043558755 175065186 /nfs/dbraw/zinc/06/51/86/175065186.db2.gz DOWTUJLBBFRTDH-UHFFFAOYSA-N 1 0 257.318 2.942 50 0 CFAARO C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)[C@H](C)CO1 ZINC000045785140 175383729 /nfs/dbraw/zinc/38/37/29/175383729.db2.gz ZEXGNYPGIWZEGZ-CHWSQXEVSA-N 1 0 267.344 2.704 50 0 CFAARO CCCn1nc(C[NH2+]C(C)C)c(-c2ccccc2)n1 ZINC000045944954 175387317 /nfs/dbraw/zinc/38/73/17/175387317.db2.gz OSIATBRCUGOVTJ-UHFFFAOYSA-N 1 0 258.369 2.853 50 0 CFAARO CSCc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000046467960 175397117 /nfs/dbraw/zinc/39/71/17/175397117.db2.gz GTEDFNUEFOUFKO-UHFFFAOYSA-N 1 0 292.448 2.716 50 0 CFAARO C[NH+](C)C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000058173832 175610009 /nfs/dbraw/zinc/61/00/09/175610009.db2.gz AKWFUKCLZGUPGX-NSHDSACASA-N 1 0 297.349 2.770 50 0 CFAARO O=C(C1CCC1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288713 175708461 /nfs/dbraw/zinc/70/84/61/175708461.db2.gz UBTKVYLUWMPZPQ-HNNXBMFYSA-N 1 0 264.413 2.654 50 0 CFAARO O=C(CC[NH2+]CCc1ccccc1)Nc1ccccc1F ZINC000065410327 175732393 /nfs/dbraw/zinc/73/23/93/175732393.db2.gz YWJIVFOOZSAWST-UHFFFAOYSA-N 1 0 286.350 2.987 50 0 CFAARO CCCC1([NH2+]C2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000067855651 175798254 /nfs/dbraw/zinc/79/82/54/175798254.db2.gz DGJPRHVWZDQHBA-UHFFFAOYSA-N 1 0 287.407 2.609 50 0 CFAARO CCn1cc(C[NH2+][C@@H](C)Cc2ccc(C)cc2)cn1 ZINC000067981729 175805369 /nfs/dbraw/zinc/80/53/69/175805369.db2.gz AOULXUPYRUFCSM-AWEZNQCLSA-N 1 0 257.381 2.932 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]CCCc2nc3ccccc3o2)c1 ZINC000069583109 175840324 /nfs/dbraw/zinc/84/03/24/175840324.db2.gz RAWZQRIFZSCPOG-CQSZACIVSA-N 1 0 298.390 2.944 50 0 CFAARO Cc1ccc([C@H]2C[C@@H]2C(=O)NCC(C)(C)[NH+](C)C)s1 ZINC000071186372 176060302 /nfs/dbraw/zinc/06/03/02/176060302.db2.gz FEDUINDZNUEXEU-RYUDHWBXSA-N 1 0 280.437 2.616 50 0 CFAARO CC[N@H+](Cc1cnn(C)c1)Cc1c[nH]c2cc(=O)ccc-2c1 ZINC000071747742 176258731 /nfs/dbraw/zinc/25/87/31/176258731.db2.gz FWTCJJQKLCAWAB-UHFFFAOYSA-N 1 0 296.374 2.696 50 0 CFAARO CC[N@@H+]1CCC[C@@H](Nc2nc(C)cc(C3CCC3)n2)C1 ZINC000071764073 176261982 /nfs/dbraw/zinc/26/19/82/176261982.db2.gz NAFXLEQQDFXEIU-CQSZACIVSA-N 1 0 274.412 2.949 50 0 CFAARO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000071797104 176264846 /nfs/dbraw/zinc/26/48/46/176264846.db2.gz TVQRFENVPQQYIJ-OAHLLOKOSA-N 1 0 299.374 2.528 50 0 CFAARO CC(=O)Nc1ccc(CC[NH2+]Cc2cccc(O)c2)cc1 ZINC000071799789 176265573 /nfs/dbraw/zinc/26/55/73/176265573.db2.gz NAOMRQUGQXBWAX-UHFFFAOYSA-N 1 0 284.359 2.683 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000071819603 176270661 /nfs/dbraw/zinc/27/06/61/176270661.db2.gz CEQXFXPYAYNDBM-UHFFFAOYSA-N 1 0 299.422 2.783 50 0 CFAARO Cc1ccc([C@@H](O)C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000071819639 176270878 /nfs/dbraw/zinc/27/08/78/176270878.db2.gz UZPMCFWZLHFPBB-INIZCTEOSA-N 1 0 299.370 2.589 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828174 176272238 /nfs/dbraw/zinc/27/22/38/176272238.db2.gz SJDZVXPLNVRGOL-NVXWUHKLSA-N 1 0 285.391 2.976 50 0 CFAARO Cc1cc(NC[C@H]2CCCO[C@H]2c2ccccc2)nc(N)[nH+]1 ZINC000071828010 176272555 /nfs/dbraw/zinc/27/25/55/176272555.db2.gz RXQUMCNZRROBRU-ZBFHGGJFSA-N 1 0 298.390 2.947 50 0 CFAARO CCC[N@@H+]1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000071853900 176278246 /nfs/dbraw/zinc/27/82/46/176278246.db2.gz NMDNUPUFWPZLCY-UHFFFAOYSA-N 1 0 285.391 2.726 50 0 CFAARO CCOc1ccc(CNc2cc(C)[nH+]c(N)n2)cc1F ZINC000071879574 176287553 /nfs/dbraw/zinc/28/75/53/176287553.db2.gz HLKSFANMYTVDKF-UHFFFAOYSA-N 1 0 276.315 2.517 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC000072130673 176320947 /nfs/dbraw/zinc/32/09/47/176320947.db2.gz HJVICOLGOHCFFV-MRXNPFEDSA-N 1 0 297.402 2.791 50 0 CFAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)CC1 ZINC000072130674 176321319 /nfs/dbraw/zinc/32/13/19/176321319.db2.gz HJVICOLGOHCFFV-INIZCTEOSA-N 1 0 297.402 2.791 50 0 CFAARO CCc1ccccc1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000072147510 176325755 /nfs/dbraw/zinc/32/57/55/176325755.db2.gz INUWXFUYCGMGDY-CQSZACIVSA-N 1 0 274.408 2.727 50 0 CFAARO c1ccc(CO[C@H]2CCC[N@H+](Cc3ccncc3)C2)nc1 ZINC000072154638 176328533 /nfs/dbraw/zinc/32/85/33/176328533.db2.gz MWBDLLAONPZZRE-KRWDZBQOSA-N 1 0 283.375 2.658 50 0 CFAARO Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H]([NH3+])CC1 ZINC000072158094 176329566 /nfs/dbraw/zinc/32/95/66/176329566.db2.gz YLGADNJSMHPUKV-AWEZNQCLSA-N 1 0 299.374 2.603 50 0 CFAARO Fc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000072162940 176330703 /nfs/dbraw/zinc/33/07/03/176330703.db2.gz PFZNQQUPANSXIR-OAHLLOKOSA-N 1 0 266.335 2.540 50 0 CFAARO Cc1ccsc1C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000072254112 176350800 /nfs/dbraw/zinc/35/08/00/176350800.db2.gz IDZPKSAOLLHEPS-ZDUSSCGKSA-N 1 0 288.420 2.605 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C)C2)C1 ZINC000072274367 176355482 /nfs/dbraw/zinc/35/54/82/176355482.db2.gz SYJUHBGPAAYFTM-LSDHHAIUSA-N 1 0 281.444 2.548 50 0 CFAARO CC[C@@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C(N)=O ZINC000072281400 176359199 /nfs/dbraw/zinc/35/91/99/176359199.db2.gz FKRBHNYZBUGZAH-LDYMZIIASA-N 1 0 274.286 2.620 50 0 CFAARO Clc1ccccc1OCCc1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000072344101 176372739 /nfs/dbraw/zinc/37/27/39/176372739.db2.gz RCNWQTOFJBQQII-LLVKDONJSA-N 1 0 291.782 2.762 50 0 CFAARO O=C(C[NH+]1CCCCC1)Nc1c[nH]c2ccccc12 ZINC000072402040 176397150 /nfs/dbraw/zinc/39/71/50/176397150.db2.gz JRBUWBSLPINEBM-UHFFFAOYSA-N 1 0 257.337 2.592 50 0 CFAARO FC(F)c1cc([C@@H]2C[NH2+]C[C@H]2c2ccccc2)[nH]n1 ZINC000077010743 177146527 /nfs/dbraw/zinc/14/65/27/177146527.db2.gz SMJGPBCAXUSGBL-WDEREUQCSA-N 1 0 263.291 2.818 50 0 CFAARO Cc1cc(C)nc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)n1 ZINC000077379162 177260453 /nfs/dbraw/zinc/26/04/53/177260453.db2.gz USZQNFVNZKARBH-MRXNPFEDSA-N 1 0 299.422 2.735 50 0 CFAARO O=C(CCCc1ccc(Cl)cc1)N1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000077459648 177271444 /nfs/dbraw/zinc/27/14/44/177271444.db2.gz LFRIOBWDSQSLIV-GASCZTMLSA-N 1 0 292.810 2.626 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2F)C1 ZINC000013669972 260074989 /nfs/dbraw/zinc/07/49/89/260074989.db2.gz OMSHIZWTKGLEFK-KBPBESRZSA-N 1 0 292.398 2.924 50 0 CFAARO Cc1c(Cl)cccc1NC(=O)C[NH2+]CC1CC1 ZINC000037611748 260162383 /nfs/dbraw/zinc/16/23/83/260162383.db2.gz SKKCXWHIWTUTDW-UHFFFAOYSA-N 1 0 252.745 2.587 50 0 CFAARO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000075132246 260165969 /nfs/dbraw/zinc/16/59/69/260165969.db2.gz XSAVNRBSNHCAPL-HNNXBMFYSA-N 1 0 288.395 2.979 50 0 CFAARO O=C(c1ccnc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195085394 270250242 /nfs/dbraw/zinc/25/02/42/270250242.db2.gz VDYMYOHNTOKGHV-AWEZNQCLSA-N 1 0 295.386 2.545 50 0 CFAARO CC1(C)C[C@@H](O)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000395404058 270313066 /nfs/dbraw/zinc/31/30/66/270313066.db2.gz UOSQVQOZRCWZED-AWEZNQCLSA-N 1 0 281.371 2.687 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000133185480 273971682 /nfs/dbraw/zinc/97/16/82/273971682.db2.gz RNAWJOLGMPLSJF-SNVBAGLBSA-N 1 0 284.762 2.612 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000063193121 274238595 /nfs/dbraw/zinc/23/85/95/274238595.db2.gz RZXNERDXYNSNPE-RNCFNFMXSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@@H](O)C[NH+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)O ZINC000000757397 274267089 /nfs/dbraw/zinc/26/70/89/274267089.db2.gz BNUNIMZITWKVNR-NXEZZACHSA-N 1 0 292.206 2.557 50 0 CFAARO Cc1cc2c(c(-c3cnc4ccccc4n3)c1)O[C@H](C[NH3+])C2 ZINC000067490865 274725486 /nfs/dbraw/zinc/72/54/86/274725486.db2.gz AVEMOYYTIKPRFZ-ZDUSSCGKSA-N 1 0 291.354 2.867 50 0 CFAARO Cc1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000014631895 274755309 /nfs/dbraw/zinc/75/53/09/274755309.db2.gz JUMILGKCGVTNOQ-UHFFFAOYSA-N 1 0 270.170 2.888 50 0 CFAARO Cc1[nH+]c(N)ccc1C[C@@H]1COc2ccccc2C1 ZINC000091914634 274840627 /nfs/dbraw/zinc/84/06/27/274840627.db2.gz GRHOKKVXWLMBTL-LBPRGKRZSA-N 1 0 254.333 2.766 50 0 CFAARO OCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000048065333 275046768 /nfs/dbraw/zinc/04/67/68/275046768.db2.gz UJSJQEXLCNXBPM-UHFFFAOYSA-N 1 0 259.271 2.662 50 0 CFAARO c1cnc2c(c1)nc(C1CCC1)n2C1CC[NH2+]CC1 ZINC000049454779 275073723 /nfs/dbraw/zinc/07/37/23/275073723.db2.gz FOBBAFDTHCFMNT-UHFFFAOYSA-N 1 0 256.353 2.623 50 0 CFAARO CCN(CC)C(=O)[C@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000170613607 276091681 /nfs/dbraw/zinc/09/16/81/276091681.db2.gz BGGPPKQGBALTQO-AWEZNQCLSA-N 1 0 289.423 2.518 50 0 CFAARO CC[NH+](CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C ZINC000004472877 276101957 /nfs/dbraw/zinc/10/19/57/276101957.db2.gz UUCSGAUKOYGFED-UHFFFAOYSA-N 1 0 299.418 2.869 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000241587976 276156991 /nfs/dbraw/zinc/15/69/91/276156991.db2.gz OYRYNFXCKLFHQG-KLHDSHLOSA-N 1 0 295.471 2.985 50 0 CFAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000095423653 276655686 /nfs/dbraw/zinc/65/56/86/276655686.db2.gz PBUJFFYRTVJLAV-QKLQHJQFSA-N 1 0 291.460 2.823 50 0 CFAARO COC(=O)N1CCC([NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000097020441 277070908 /nfs/dbraw/zinc/07/09/08/277070908.db2.gz WOBIQCBJGXOAHB-RYUDHWBXSA-N 1 0 268.401 2.632 50 0 CFAARO CC(=O)c1ccccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000004320475 277115963 /nfs/dbraw/zinc/11/59/63/277115963.db2.gz VGZBQHDMMHJWFK-HNNXBMFYSA-N 1 0 291.391 2.505 50 0 CFAARO CC(C)CC(=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC000004744162 277342834 /nfs/dbraw/zinc/34/28/34/277342834.db2.gz WMXIFDDNDMUTIT-UHFFFAOYSA-N 1 0 266.429 2.900 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000043044197 277385123 /nfs/dbraw/zinc/38/51/23/277385123.db2.gz CQWVBIASWONDMV-GDBMZVCRSA-N 1 0 295.471 2.985 50 0 CFAARO CS(=O)(=O)c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1 ZINC000065411029 278118049 /nfs/dbraw/zinc/11/80/49/278118049.db2.gz IGQORAIBOIAYFQ-UHFFFAOYSA-N 1 0 298.367 2.888 50 0 CFAARO CC/C=C(/C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000065592242 278162839 /nfs/dbraw/zinc/16/28/39/278162839.db2.gz QUMCNVMVVXTKEN-RDQDRAATSA-N 1 0 266.410 2.823 50 0 CFAARO CC(C)(C)C1CCC([N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000000757611 278301480 /nfs/dbraw/zinc/30/14/80/278301480.db2.gz VQQKVNXESJNLLB-HSBZDZAISA-N 1 0 266.429 2.789 50 0 CFAARO CC(C)(C)N1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070294135 278340151 /nfs/dbraw/zinc/34/01/51/278340151.db2.gz DXTIKWSWIMBCNY-DGCLKSJQSA-N 1 0 284.762 2.878 50 0 CFAARO C[C@H]1CCc2c(C(=O)N3CCC[N@H+](C)CC3)csc2C1 ZINC000020501110 278386703 /nfs/dbraw/zinc/38/67/03/278386703.db2.gz AYSPUXGIUCPVAY-LBPRGKRZSA-N 1 0 292.448 2.651 50 0 CFAARO CCCCCC[C@@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000013110969 278671036 /nfs/dbraw/zinc/67/10/36/278671036.db2.gz HEQZDVJWAHZGMY-ZJUUUORDSA-N 1 0 258.387 2.515 50 0 CFAARO C[C@@H]1[NH2+]CC2(CCCC2)c2cc3c(cc21)OCCO3 ZINC000009156386 279029678 /nfs/dbraw/zinc/02/96/78/279029678.db2.gz VNMIQBRRZLHKHH-NSHDSACASA-N 1 0 259.349 2.934 50 0 CFAARO CC[NH+](CC)[C@@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000065551547 279141422 /nfs/dbraw/zinc/14/14/22/279141422.db2.gz LNSHQNWCIBEYGJ-QGZVFWFLSA-N 1 0 297.402 2.781 50 0 CFAARO CC(C)N(C(=O)C[N@@H+]1CCC[C@H]1c1cccn1C)C(C)C ZINC000067445133 279280652 /nfs/dbraw/zinc/28/06/52/279280652.db2.gz ZJVUTVWSSJYASR-INIZCTEOSA-N 1 0 291.439 2.807 50 0 CFAARO CC[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccncc1 ZINC000156002877 280184100 /nfs/dbraw/zinc/18/41/00/280184100.db2.gz MNFHWPBHGGISMR-OAHLLOKOSA-N 1 0 276.380 2.808 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402076 280578709 /nfs/dbraw/zinc/57/87/09/280578709.db2.gz FJGVTKZCEHVHIB-GFCCVEGCSA-N 1 0 265.426 2.554 50 0 CFAARO CC(C)n1ccnc1CN(C)C[C@H](C)C[NH+]1CCCC1 ZINC000219772195 280776722 /nfs/dbraw/zinc/77/67/22/280776722.db2.gz YSKMSRYTDYWEAS-HNNXBMFYSA-N 1 0 278.444 2.628 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C\c2c(F)cccc2F)C1 ZINC000255002354 281083769 /nfs/dbraw/zinc/08/37/69/281083769.db2.gz FRQKZLZFAIIUGA-XPOJSHTGSA-N 1 0 294.345 2.564 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2cccc(C(F)(F)F)c2)C1 ZINC000255263188 281092045 /nfs/dbraw/zinc/09/20/45/281092045.db2.gz VLSGHWYVEXNSLY-FMFIFOJESA-N 1 0 298.308 2.668 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2cc3ccccc3o2)C1 ZINC000255354540 281095375 /nfs/dbraw/zinc/09/53/75/281095375.db2.gz IUAZXTRVQYDOPV-FWWRYZNZSA-N 1 0 284.359 2.514 50 0 CFAARO Cn1cc(C[N@H+](C)C/C=C\c2ccc(F)cc2)cn1 ZINC000255716849 281105966 /nfs/dbraw/zinc/10/59/66/281105966.db2.gz CFNFQYIIWVRENO-ARJAWSKDSA-N 1 0 259.328 2.704 50 0 CFAARO Cc1nc2ccc(C(=O)N3CCCC[C@H]([NH3+])C3)cc2s1 ZINC000082116300 282056961 /nfs/dbraw/zinc/05/69/61/282056961.db2.gz KXTSMEHKMCSVEQ-LBPRGKRZSA-N 1 0 289.404 2.558 50 0 CFAARO C[NH+](C)C[C@@H]1CSCC[C@]1(O)c1cccc(Cl)c1 ZINC000000347743 289203528 /nfs/dbraw/zinc/20/35/28/289203528.db2.gz QKNJHOKHYFXNOT-OCCSQVGLSA-N 1 0 285.840 2.842 50 0 CFAARO C[N@@H+]1CCN(CC[C@H]2CCCO2)C2(CCCCC2)C1 ZINC000249291205 290044607 /nfs/dbraw/zinc/04/46/07/290044607.db2.gz MKSPUNXSCKHQRM-OAHLLOKOSA-N 1 0 266.429 2.506 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2)N1 ZINC000000480419 295210671 /nfs/dbraw/zinc/21/06/71/295210671.db2.gz FLPFDJSSMKHRMH-ZDUSSCGKSA-N 1 0 297.749 2.977 50 0 CFAARO COc1ccc([C@@H]2C[N@@H+](C3CCCC3)C[C@H]2N(C)C)cc1 ZINC000091526686 295225481 /nfs/dbraw/zinc/22/54/81/295225481.db2.gz MKTATZOHKWPQDM-ZWKOTPCHSA-N 1 0 288.435 2.967 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000246691802 302157473 /nfs/dbraw/zinc/15/74/73/302157473.db2.gz MXVQTTPSDPQOQW-OWCLPIDISA-N 1 0 286.419 2.699 50 0 CFAARO CCSC[C@@H](C)[NH2+]C1CCN(C(=O)C2CCCC2)CC1 ZINC000534580391 328311631 /nfs/dbraw/zinc/31/16/31/328311631.db2.gz DZBOVDWORKBREH-CYBMUJFWSA-N 1 0 298.496 2.899 50 0 CFAARO COc1ccc2oc(C[NH2+][C@H]3CCCSC3)nc2c1 ZINC000534581180 328311950 /nfs/dbraw/zinc/31/19/50/328311950.db2.gz FLRVSIVPXMABRM-JTQLQIEISA-N 1 0 278.377 2.822 50 0 CFAARO CC(C)[C@H]([NH2+]C1CCCCCC1)c1ncnn1C ZINC000534634337 328333280 /nfs/dbraw/zinc/33/32/80/328333280.db2.gz UBDZTKQHHQRBHW-ZDUSSCGKSA-N 1 0 250.390 2.825 50 0 CFAARO c1c(CN2C[C@@H]3CC[NH2+][C@@H]3C2)onc1C1CCCCC1 ZINC000534653671 328338565 /nfs/dbraw/zinc/33/85/65/328338565.db2.gz OQGBCRYWRLVNOY-XJKSGUPXSA-N 1 0 275.396 2.516 50 0 CFAARO Cc1nccn1C[C@H](C)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534649351 328343877 /nfs/dbraw/zinc/34/38/77/328343877.db2.gz RJAMMQRSNLHWPD-HNNXBMFYSA-N 1 0 292.471 2.824 50 0 CFAARO CCCc1nnc(N2CCCC3(CC[NH2+]CC3)CC2)s1 ZINC000534666911 328345703 /nfs/dbraw/zinc/34/57/03/328345703.db2.gz LEBULFZKAQJUEI-UHFFFAOYSA-N 1 0 294.468 2.851 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000191356854 324049352 /nfs/dbraw/zinc/04/93/52/324049352.db2.gz SHFYOWBBPHFLEB-CYBMUJFWSA-N 1 0 288.322 2.649 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(CC(N)=O)CC1 ZINC000195575781 324109115 /nfs/dbraw/zinc/10/91/15/324109115.db2.gz QYNUMPSSTAKDHK-HIFRSBDPSA-N 1 0 264.413 2.566 50 0 CFAARO O[C@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000577639817 324762881 /nfs/dbraw/zinc/76/28/81/324762881.db2.gz XUFBAWQVGHKWPO-YDHLFZDLSA-N 1 0 279.355 2.933 50 0 CFAARO CSC[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000096477998 329526890 /nfs/dbraw/zinc/52/68/90/329526890.db2.gz ALPJKBYTQKBDDT-DZGCQCFKSA-N 1 0 264.438 2.602 50 0 CFAARO CC(C)Oc1ccc(C[NH+]2CCC(F)CC2)cc1CO ZINC000828817756 782111524 /nfs/dbraw/zinc/11/15/24/782111524.db2.gz QNFNGJZLJQQISS-UHFFFAOYSA-N 1 0 281.371 2.900 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2SC)o1 ZINC000096441757 534098220 /nfs/dbraw/zinc/09/82/20/534098220.db2.gz JSDFQMKOYPWYCF-YPMHNXCESA-N 1 0 283.393 2.782 50 0 CFAARO C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1CCOC1 ZINC000096490324 534248257 /nfs/dbraw/zinc/24/82/57/534248257.db2.gz GFICTCPNTRZPLL-JQWIXIFHSA-N 1 0 284.197 2.759 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1 ZINC000158896970 522043812 /nfs/dbraw/zinc/04/38/12/522043812.db2.gz LLFILXHBFWGZNG-AWEZNQCLSA-N 1 0 297.402 2.615 50 0 CFAARO Cc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)nc1C ZINC000067982482 525757001 /nfs/dbraw/zinc/75/70/01/525757001.db2.gz ZWSPZHHLMOCPPP-CYBMUJFWSA-N 1 0 254.333 2.628 50 0 CFAARO Cc1c[nH+]ccc1N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000191981747 526235841 /nfs/dbraw/zinc/23/58/41/526235841.db2.gz KJQSUNXPDXGAAD-MRXNPFEDSA-N 1 0 290.407 2.945 50 0 CFAARO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000004071759 526331954 /nfs/dbraw/zinc/33/19/54/526331954.db2.gz NIFKETYTGRVRLT-CQSZACIVSA-N 1 0 273.376 2.968 50 0 CFAARO c1cc(CCC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccn1 ZINC000360454380 526419245 /nfs/dbraw/zinc/41/92/45/526419245.db2.gz IXIBEJNPDWFQJU-CVEARBPZSA-N 1 0 260.381 2.515 50 0 CFAARO O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCCSC2)cc1 ZINC000061571816 526978354 /nfs/dbraw/zinc/97/83/54/526978354.db2.gz MTKUZTXQLBGBDY-CQSZACIVSA-N 1 0 290.432 2.799 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(C)=O)CC2)C1(CC)CC ZINC000096454022 527936340 /nfs/dbraw/zinc/93/63/40/527936340.db2.gz QAAGIYFINBAVPQ-JKSUJKDBSA-N 1 0 296.455 2.571 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000096455611 529211521 /nfs/dbraw/zinc/21/15/21/529211521.db2.gz UZCMSMGTJXNRRK-HUUCEWRRSA-N 1 0 292.448 2.939 50 0 CFAARO CC[C@H](C[NH2+]C1CCOCC1)Oc1ccccc1F ZINC000096452777 529361061 /nfs/dbraw/zinc/36/10/61/529361061.db2.gz GXNWAYBNMJTVSJ-CYBMUJFWSA-N 1 0 267.344 2.752 50 0 CFAARO Cc1nc(C)c(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)s1 ZINC000089559235 545502466 /nfs/dbraw/zinc/50/24/66/545502466.db2.gz ADUNKYULLPFIHX-UKRRQHHQSA-N 1 0 274.389 2.508 50 0 CFAARO CC(C)=CCC[NH+]1CCC(CNC(=O)[C@H]2CC23CC3)CC1 ZINC000952975505 614284117 /nfs/dbraw/zinc/28/41/17/614284117.db2.gz KJZOTIQOIMYJDW-MRXNPFEDSA-N 1 0 290.451 2.971 50 0 CFAARO CCCOc1c(Cl)cccc1NC(=O)[C@H]1C=CC[NH2+]1 ZINC000952982055 614951900 /nfs/dbraw/zinc/95/19/00/614951900.db2.gz VCLXQPIDCHBPAD-GFCCVEGCSA-N 1 0 280.755 2.595 50 0 CFAARO Cc1ccc([C@]2(C)N(O)[C@H](C)C(c3ccccc3)[N+]2=O)o1 ZINC000001191068 618398419 /nfs/dbraw/zinc/39/84/19/618398419.db2.gz MYDWXFODLRZOJP-MLGOLLRUSA-N 1 0 286.331 2.854 50 0 CFAARO COc1c(F)cc(-c2cccc3c2O[C@@H](C[NH3+])C3)cc1F ZINC000067473307 618464115 /nfs/dbraw/zinc/46/41/15/618464115.db2.gz NROAXXVYLGMJDS-LLVKDONJSA-N 1 0 291.297 2.903 50 0 CFAARO O=C(Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000019794732 618794180 /nfs/dbraw/zinc/79/41/80/618794180.db2.gz GKFMEHOUCUCLBC-KRWDZBQOSA-N 1 0 286.419 2.564 50 0 CFAARO O=C(C1CCC1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257182692 618880772 /nfs/dbraw/zinc/88/07/72/618880772.db2.gz PXBMUTUSBCVEFK-CQSZACIVSA-N 1 0 264.413 2.511 50 0 CFAARO CCCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@H]1C ZINC000261361495 619138010 /nfs/dbraw/zinc/13/80/10/619138010.db2.gz AUMQUVNLMMEFEG-BBRMVZONSA-N 1 0 261.365 2.949 50 0 CFAARO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000825290948 623664161 /nfs/dbraw/zinc/66/41/61/623664161.db2.gz AYSUSAHGBDYRBA-SAXRGWBVSA-N 1 0 251.395 2.734 50 0 CFAARO C=CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000848979117 623786539 /nfs/dbraw/zinc/78/65/39/623786539.db2.gz DHYPPZIQIOECLF-SFHVURJKSA-N 1 0 284.403 2.687 50 0 CFAARO CC[C@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000154048100 624255969 /nfs/dbraw/zinc/25/59/69/624255969.db2.gz UIYHSJCIYQTKQM-ZDUSSCGKSA-N 1 0 291.391 2.852 50 0 CFAARO CO[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000179750247 624975963 /nfs/dbraw/zinc/97/59/63/624975963.db2.gz CTJVUJNYHRCGNZ-MRXNPFEDSA-N 1 0 285.391 2.698 50 0 CFAARO FC(F)(F)c1c[nH+]ccc1N1CC[C@H](c2cnccn2)C1 ZINC000952995510 626125077 /nfs/dbraw/zinc/12/50/77/626125077.db2.gz OCGYZGJYNJVMGN-JTQLQIEISA-N 1 0 294.280 2.884 50 0 CFAARO COCCN1CC[N@H+](C[C@@H](C)CCC=C(C)C)CCC1=O ZINC000012000174 626225262 /nfs/dbraw/zinc/22/52/62/626225262.db2.gz KNGJKEHMVUYHPE-INIZCTEOSA-N 1 0 296.455 2.550 50 0 CFAARO c1ccc(N[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000012434511 626405790 /nfs/dbraw/zinc/40/57/90/626405790.db2.gz MQUVXBLAQRQFEE-HNNXBMFYSA-N 1 0 260.381 2.742 50 0 CFAARO Fc1ccccc1CN1CCC([NH2+]C2CCOCC2)CC1 ZINC000765142308 627122056 /nfs/dbraw/zinc/12/20/56/627122056.db2.gz IWOQNSTVACYYSD-UHFFFAOYSA-N 1 0 292.398 2.559 50 0 CFAARO C[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@H]2F)CC1 ZINC000863983156 637832968 /nfs/dbraw/zinc/83/29/68/637832968.db2.gz CTLSHDMWVIZOHR-HZPDHXFCSA-N 1 0 262.372 2.696 50 0 CFAARO CC1=NO[C@H](C[NH2+]Cc2ccc(C)cc2Cl)C1 ZINC000877871321 643612992 /nfs/dbraw/zinc/61/29/92/643612992.db2.gz MXKGUZOOGKDODO-LBPRGKRZSA-N 1 0 252.745 2.903 50 0 CFAARO CC(C)CC1(CNC(=O)/C=C2\C[NH+]3CCC2CC3)CC1 ZINC000222206706 647251621 /nfs/dbraw/zinc/25/16/21/647251621.db2.gz LOBHZODLEATFOP-OQLLNIDSSA-N 1 0 276.424 2.581 50 0 CFAARO C/C=C\C[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000103403649 647492997 /nfs/dbraw/zinc/49/29/97/647492997.db2.gz WKKNJVPNTVENQG-ARJAWSKDSA-N 1 0 258.365 2.587 50 0 CFAARO O=C(/C=C/c1ccsc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939340 647818305 /nfs/dbraw/zinc/81/83/05/647818305.db2.gz SEKSVLFOBANZFX-AATRIKPKSA-N 1 0 290.432 2.848 50 0 CFAARO CCOC(=O)c1oc2cccc(O)c2c1C[NH2+]C(C)C ZINC000015724375 651214265 /nfs/dbraw/zinc/21/42/65/651214265.db2.gz VXBUGBGODIGDEH-UHFFFAOYSA-N 1 0 277.320 2.813 50 0 CFAARO COc1ccc(CC[N@H+](C)Cc2ccco2)cc1OC ZINC000016513149 651254030 /nfs/dbraw/zinc/25/40/30/651254030.db2.gz PRQWPOPMBBYRSK-UHFFFAOYSA-N 1 0 275.348 2.971 50 0 CFAARO C[C@@H]1CC[C@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019608777 651291818 /nfs/dbraw/zinc/29/18/18/651291818.db2.gz NCKWDNWFEUMYFJ-WBVHZDCISA-N 1 0 258.409 2.993 50 0 CFAARO c1coc(-c2cccc(C[N@H+]3CCc4nncn4CC3)c2)c1 ZINC000020997592 651302493 /nfs/dbraw/zinc/30/24/93/651302493.db2.gz GJUJZIIHJZELFL-UHFFFAOYSA-N 1 0 294.358 2.596 50 0 CFAARO CC[NH+]1CCN(c2cc(C)c3cccc(OC)c3n2)CC1 ZINC000023634533 775531710 /nfs/dbraw/zinc/53/17/10/775531710.db2.gz FOZJVCFFENPVAJ-UHFFFAOYSA-N 1 0 285.391 2.694 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 ZINC000328596394 775754530 /nfs/dbraw/zinc/75/45/30/775754530.db2.gz MUAYERPIBZMMKC-ORAHPGNNSA-N 1 0 299.201 2.814 50 0 CFAARO C/C(=C\C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC000585086668 776860485 /nfs/dbraw/zinc/86/04/85/776860485.db2.gz QGWYFDQXQCYLFW-AGYGCQASSA-N 1 0 294.345 2.577 50 0 CFAARO C[C@@H](c1ccc(-c2ccnc(CO)c2)cc1)[NH+](C)C ZINC000426724069 777027543 /nfs/dbraw/zinc/02/75/43/777027543.db2.gz YQUVUFSQGZEOHO-LBPRGKRZSA-N 1 0 256.349 2.864 50 0 CFAARO c1cc(C[NH2+]C2CSCCSC2)cc2nsnc12 ZINC000820424930 781867712 /nfs/dbraw/zinc/86/77/12/781867712.db2.gz WLBXBQGHCCVSGY-UHFFFAOYSA-N 1 0 297.474 2.630 50 0 CFAARO CC(C)n1nc(-c2ccccc2)nc1[C@H]1CCC[NH2+]C1 ZINC000822288461 781896915 /nfs/dbraw/zinc/89/69/15/781896915.db2.gz LQIGXBMHJSIHFZ-AWEZNQCLSA-N 1 0 270.380 2.993 50 0 CFAARO CCCc1nc(C)cc(N[C@@H]2CCC[C@H]2[NH+](C)C)n1 ZINC000823015205 781918374 /nfs/dbraw/zinc/91/83/74/781918374.db2.gz XRACOLVSSODBHG-CHWSQXEVSA-N 1 0 262.401 2.632 50 0 CFAARO OCC[N@H+](Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000096455345 230376957 /nfs/dbraw/zinc/37/69/57/230376957.db2.gz KRGAGBKKZWJCRQ-KRWDZBQOSA-N 1 0 268.360 2.563 50 0 CFAARO O=C1CCCCN1CC1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000098015970 230391282 /nfs/dbraw/zinc/39/12/82/230391282.db2.gz GKPJMXNMVUUIDF-MRXNPFEDSA-N 1 0 276.424 2.820 50 0 CFAARO Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000096492017 230382629 /nfs/dbraw/zinc/38/26/29/230382629.db2.gz OGCHIBGUCODWEP-AWEZNQCLSA-N 1 0 290.407 2.647 50 0 CFAARO COCCC[C@@H](C)C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000096496508 230384199 /nfs/dbraw/zinc/38/41/99/230384199.db2.gz SWCPKCMWHOGDID-HZPDHXFCSA-N 1 0 296.455 2.526 50 0 CFAARO CCc1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000095508087 185000836 /nfs/dbraw/zinc/00/08/36/185000836.db2.gz XSKQROYGAOBZRF-HNNXBMFYSA-N 1 0 275.396 2.855 50 0 CFAARO C[C@H](c1ccc(-c2cnc3ncnn3c2)cc1)[NH+]1CCCC1 ZINC000426412775 230417675 /nfs/dbraw/zinc/41/76/75/230417675.db2.gz SCORDHYUWXVEAG-CYBMUJFWSA-N 1 0 293.374 2.948 50 0 CFAARO Cc1cc(C(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)c(C)o1 ZINC000095530282 185004425 /nfs/dbraw/zinc/00/44/25/185004425.db2.gz RUFQTKPLBOESAT-LSDHHAIUSA-N 1 0 278.396 2.555 50 0 CFAARO CCCC[C@H](NC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000095943395 185037562 /nfs/dbraw/zinc/03/75/62/185037562.db2.gz TUUSSKPBQLVGES-AWEZNQCLSA-N 1 0 284.444 2.571 50 0 CFAARO CC[C@@H](C(=O)N1CC=C(c2ccccc2F)CC1)[NH+](C)C ZINC000095945416 185038575 /nfs/dbraw/zinc/03/85/75/185038575.db2.gz RZMSQDYDQRDYRY-INIZCTEOSA-N 1 0 290.382 2.782 50 0 CFAARO OCC[C@@H]([NH2+]Cc1ccc(F)cc1Cl)C1CC1 ZINC000095970878 185048961 /nfs/dbraw/zinc/04/89/61/185048961.db2.gz CIAGAFKFGNFGEL-CYBMUJFWSA-N 1 0 257.736 2.730 50 0 CFAARO CC(C)(C[NH2+]C[C@@H](O)c1ccncc1)c1ccccc1 ZINC000095984306 185055002 /nfs/dbraw/zinc/05/50/02/185055002.db2.gz FWRBIAXBZPKXQT-MRXNPFEDSA-N 1 0 270.376 2.682 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccco2)C12CCCC2 ZINC000095987771 185056862 /nfs/dbraw/zinc/05/68/62/185056862.db2.gz WLDDIBYRQYASLH-AEGPPILISA-N 1 0 279.380 2.640 50 0 CFAARO CCS[C@H]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2OC)C1 ZINC000095990136 185057820 /nfs/dbraw/zinc/05/78/20/185057820.db2.gz DMDGKZCJBJDDBU-NEPJUHHUSA-N 1 0 283.441 2.501 50 0 CFAARO COc1ccccc1CC(C)(C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000095991241 185058248 /nfs/dbraw/zinc/05/82/48/185058248.db2.gz MFQPAGCERGYRGE-TZMCWYRMSA-N 1 0 263.381 2.783 50 0 CFAARO CC[C@@H]1CCC[C@H](C[N@H+](CCOC)C(C)(C)CO)C1 ZINC000096011456 185065487 /nfs/dbraw/zinc/06/54/87/185065487.db2.gz GKYYFEWCDDACEK-CABCVRRESA-N 1 0 271.445 2.922 50 0 CFAARO CCC[N@@H+](Cc1nc2c(nccc2C)[nH]1)CC1CC1 ZINC000096012908 185065850 /nfs/dbraw/zinc/06/58/50/185065850.db2.gz OJQKAFVWRGHBBP-UHFFFAOYSA-N 1 0 258.369 2.888 50 0 CFAARO CCc1nc([C@@H](C)NCC[NH+]2CCCCC2)cs1 ZINC000096014101 185066896 /nfs/dbraw/zinc/06/68/96/185066896.db2.gz CNHBHXIPYJFYKI-GFCCVEGCSA-N 1 0 267.442 2.842 50 0 CFAARO C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccccn1 ZINC000007997952 282109754 /nfs/dbraw/zinc/10/97/54/282109754.db2.gz HCFDWZZGGLSKEP-QGZVFWFLSA-N 1 0 270.376 2.923 50 0 fda CFAARO CC[N@H+](C)C1(CNc2ncc(C)c(N(C)C)n2)CCCC1 ZINC000823067864 781919611 /nfs/dbraw/zinc/91/96/11/781919611.db2.gz RRGKFJBPJBUNGB-UHFFFAOYSA-N 1 0 291.443 2.527 50 0 CFAARO C[C@H](C(=O)N(C)C)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000096967904 185143504 /nfs/dbraw/zinc/14/35/04/185143504.db2.gz GJUGZSLNOHHRMS-JISDDCRVSA-N 1 0 278.440 2.611 50 0 CFAARO CC(C)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)c2ccccc2n1 ZINC000097019629 185153188 /nfs/dbraw/zinc/15/31/88/185153188.db2.gz RWPSIAXHJLERAH-GFCCVEGCSA-N 1 0 283.375 2.531 50 0 CFAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)Cn1cncn1 ZINC000097032478 185155982 /nfs/dbraw/zinc/15/59/82/185155982.db2.gz ISLPJLLWENTGAM-VNHYZAJKSA-N 1 0 270.380 2.813 50 0 CFAARO C[C@H](CC(C)(C)c1ccccc1)[NH2+]Cc1ncnn1C ZINC000097034604 185156958 /nfs/dbraw/zinc/15/69/58/185156958.db2.gz GFOFCCXODBMZON-CYBMUJFWSA-N 1 0 272.396 2.661 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000097035002 185157213 /nfs/dbraw/zinc/15/72/13/185157213.db2.gz ZZIMSIYCKBUDFC-VMGRFDJRSA-N 1 0 291.439 2.592 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCCC[C@@H]1CO ZINC000097035007 185157304 /nfs/dbraw/zinc/15/73/04/185157304.db2.gz VRUZTRZLRRUFQU-CJNGLKHVSA-N 1 0 293.455 2.576 50 0 CFAARO O=C1NCC[C@H]1[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000097034247 185157440 /nfs/dbraw/zinc/15/74/40/185157440.db2.gz QIITXZNLHOHVHD-CHWSQXEVSA-N 1 0 298.308 2.635 50 0 CFAARO CC[C@@H](COC)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000096478783 529520091 /nfs/dbraw/zinc/52/00/91/529520091.db2.gz LFCLLVRYLDRGOZ-HIFRSBDPSA-N 1 0 273.380 2.948 50 0 CFAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1scnc1C ZINC000072298405 346925727 /nfs/dbraw/zinc/92/57/27/346925727.db2.gz NWYGVJLUOARKGW-GFCCVEGCSA-N 1 0 276.409 2.835 50 0 CFAARO Cc1ncnc(N2CC[NH+](C3CCCCC3)CC2)c1C ZINC000091986274 282225122 /nfs/dbraw/zinc/22/51/22/282225122.db2.gz COGFNJNMPLOBHE-UHFFFAOYSA-N 1 0 274.412 2.548 50 0 CFAARO Cc1cc(C)cc([C@H]2CC[N@H+](CCC3OCCO3)C2)c1 ZINC000126806109 187264041 /nfs/dbraw/zinc/26/40/41/187264041.db2.gz WPKIYEMDDRKFMG-HNNXBMFYSA-N 1 0 275.392 2.856 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069328475 539373465 /nfs/dbraw/zinc/37/34/65/539373465.db2.gz GJKZOCFGUZQGQU-IRXDYDNUSA-N 1 0 272.392 2.662 50 0 CFAARO CCCC[C@@H](O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000065288682 539378725 /nfs/dbraw/zinc/37/87/25/539378725.db2.gz GRCQULIKBDRVKJ-MRXNPFEDSA-N 1 0 262.397 2.845 50 0 CFAARO CSc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000000209973 539376867 /nfs/dbraw/zinc/37/68/67/539376867.db2.gz RZUHXZACPYLNOG-CYBMUJFWSA-N 1 0 251.395 2.755 50 0 CFAARO CC(C)c1nc(C[N@H+](C)Cc2ccccc2)cc(=O)[nH]1 ZINC000075551844 347083807 /nfs/dbraw/zinc/08/38/07/347083807.db2.gz ULFUMQZXWNMXKI-UHFFFAOYSA-N 1 0 271.364 2.525 50 0 CFAARO Cc1ccsc1C[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000097039069 185510814 /nfs/dbraw/zinc/51/08/14/185510814.db2.gz UOPBMNIQGRDZAW-CQSZACIVSA-N 1 0 282.453 2.503 50 0 CFAARO c1csc(N2CCC([NH2+][C@@H]3CCCSC3)CC2)n1 ZINC000097081073 185523352 /nfs/dbraw/zinc/52/33/52/185523352.db2.gz NCLFLAYJGSWTBW-GFCCVEGCSA-N 1 0 283.466 2.597 50 0 CFAARO CCCCCNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC000075593557 347086635 /nfs/dbraw/zinc/08/66/35/347086635.db2.gz FSSFPLLFZFUBLR-INIZCTEOSA-N 1 0 262.397 2.770 50 0 CFAARO CC1(C)C(c2ccccc2)[N+](=O)[C@H](c2cccnc2)N1O ZINC000000437328 346204663 /nfs/dbraw/zinc/20/46/63/346204663.db2.gz OPUUMDUTTFSISZ-HNNXBMFYSA-N 1 0 283.331 2.563 50 0 CFAARO COc1ccc(/C=C\C(=O)OCC[N@H+](C)C(C)C)cc1 ZINC000005789761 346212403 /nfs/dbraw/zinc/21/24/03/346212403.db2.gz CAKXLCGUBJRIAU-YFHOEESVSA-N 1 0 277.364 2.592 50 0 CFAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078400 346248356 /nfs/dbraw/zinc/24/83/56/346248356.db2.gz HJBQVDKHMZTIHJ-ABAIWWIYSA-N 1 0 266.335 2.633 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000027207776 346268908 /nfs/dbraw/zinc/26/89/08/346268908.db2.gz PGWROFPUKKZPKE-QGZVFWFLSA-N 1 0 299.370 2.639 50 0 CFAARO O=C(C1CCCC1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473150 179078144 /nfs/dbraw/zinc/07/81/44/179078144.db2.gz VIKUDQVXGQNRFV-HNNXBMFYSA-N 1 0 296.480 2.607 50 0 CFAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000205394524 539544627 /nfs/dbraw/zinc/54/46/27/539544627.db2.gz SLWATFJHLABMAO-PRXAMGSTSA-N 1 0 253.411 2.948 50 0 CFAARO Cn1cc(Cl)cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000054456440 346570546 /nfs/dbraw/zinc/57/05/46/346570546.db2.gz DFTWHGIQFGQMGZ-UHFFFAOYSA-N 1 0 297.830 2.673 50 0 CFAARO C[NH2+][C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000055421530 346588801 /nfs/dbraw/zinc/58/88/01/346588801.db2.gz JALVZCSPNUEEGN-ZCFIWIBFSA-N 1 0 280.677 2.905 50 0 CFAARO C[C@@H](CNC(=O)c1cccnc1Cl)[NH+]1CCC(C)CC1 ZINC000067273442 346797053 /nfs/dbraw/zinc/79/70/53/346797053.db2.gz KWWCOIXDQIKOOO-LBPRGKRZSA-N 1 0 295.814 2.585 50 0 CFAARO Clc1cncc(N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000076063001 347117738 /nfs/dbraw/zinc/11/77/38/347117738.db2.gz VLFBTKUZPQCSJI-JTQLQIEISA-N 1 0 266.776 2.559 50 0 CFAARO CC(C)CN(CC[NH+](C)C)c1ncnc2ccsc21 ZINC000079099005 347289335 /nfs/dbraw/zinc/28/93/35/347289335.db2.gz YAOIBMNFUKFECZ-UHFFFAOYSA-N 1 0 278.425 2.715 50 0 CFAARO CC(C)Oc1ccccc1CN1CCC[N@H+](C)CC1 ZINC000269357244 535060109 /nfs/dbraw/zinc/06/01/09/535060109.db2.gz NIHUSIFIDGSJPR-UHFFFAOYSA-N 1 0 262.397 2.611 50 0 CFAARO C[NH+](C)CCCC(=O)N1CCSC2(CCCCC2)C1 ZINC000079976013 347334436 /nfs/dbraw/zinc/33/44/36/347334436.db2.gz LJISPZJEWJBMGQ-UHFFFAOYSA-N 1 0 284.469 2.607 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000084133229 347457125 /nfs/dbraw/zinc/45/71/25/347457125.db2.gz FHZMGHXXMSRIIY-RHSMWYFYSA-N 1 0 274.408 2.650 50 0 CFAARO CC(C)(C)[NH2+]CCCCNC(=O)Oc1ccccc1 ZINC000096027344 347700343 /nfs/dbraw/zinc/70/03/43/347700343.db2.gz HREHHRIZJMZLEI-UHFFFAOYSA-N 1 0 264.369 2.943 50 0 CFAARO CN1CCN(C2CC[NH+](C/C=C\c3ccccc3)CC2)C1=O ZINC000096034889 347700360 /nfs/dbraw/zinc/70/03/60/347700360.db2.gz RGBHKDMVNLSWMC-YVMONPNESA-N 1 0 299.418 2.532 50 0 CFAARO CC(C)Cn1nccc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000097231964 347707664 /nfs/dbraw/zinc/70/76/64/347707664.db2.gz QRFMJNXCCSCJFW-STQMWFEESA-N 1 0 262.401 2.576 50 0 CFAARO FC(F)COc1ncccc1C[NH2+][C@H]1CCCSC1 ZINC000097370942 347708466 /nfs/dbraw/zinc/70/84/66/347708466.db2.gz DWODTGVIVGEYLF-NSHDSACASA-N 1 0 288.363 2.711 50 0 CFAARO COc1ccc([C@@H](CCO)[NH2+][C@@H]2CCCSC2)cc1 ZINC000097370894 347708538 /nfs/dbraw/zinc/70/85/38/347708538.db2.gz USTRMAIWOULYKI-UKRRQHHQSA-N 1 0 281.421 2.604 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(-n2ccnn2)cc1 ZINC000097370938 347708754 /nfs/dbraw/zinc/70/87/54/347708754.db2.gz ISFSMCCWUUFHNZ-TZMCWYRMSA-N 1 0 288.420 2.814 50 0 CFAARO COC1(C[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CCOCC1 ZINC000152649637 347969547 /nfs/dbraw/zinc/96/95/47/347969547.db2.gz GVFAYDHCGGXFQA-GJZGRUSLSA-N 1 0 267.413 2.764 50 0 CFAARO O=S1(=O)CC[C@@H]([NH2+]C2CC=CC2)c2cc(Cl)ccc21 ZINC000156352944 347993400 /nfs/dbraw/zinc/99/34/00/347993400.db2.gz CPQWMIZQDHWBLK-CYBMUJFWSA-N 1 0 297.807 2.867 50 0 CFAARO CC[C@@H](C)C[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000170591162 348054243 /nfs/dbraw/zinc/05/42/43/348054243.db2.gz XNBILAMRQAOKSV-CQSZACIVSA-N 1 0 284.407 2.798 50 0 CFAARO CNC(=O)CC1CC[NH+](C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000170604351 348056163 /nfs/dbraw/zinc/05/61/63/348056163.db2.gz XFFCTUFNVLGGLL-GDBMZVCRSA-N 1 0 278.440 2.827 50 0 CFAARO CC[C@@H]([NH2+]CC(=O)Nc1nccs1)c1cccs1 ZINC000184068875 348127207 /nfs/dbraw/zinc/12/72/07/348127207.db2.gz FVBIXKRKVSABOD-SECBINFHSA-N 1 0 281.406 2.884 50 0 CFAARO C[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000195569280 348146799 /nfs/dbraw/zinc/14/67/99/348146799.db2.gz QTJHQXPAKBJQDZ-NVXWUHKLSA-N 1 0 298.434 2.873 50 0 CFAARO COc1ccc([C@H]2C[C@@H](C)C[N@@H+]2CCC2OCCO2)cc1 ZINC000195565958 348146966 /nfs/dbraw/zinc/14/69/66/348146966.db2.gz GMNKJOBJMRGVCS-CZUORRHYSA-N 1 0 291.391 2.841 50 0 CFAARO COC1(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CCOCC1 ZINC000225569970 348178231 /nfs/dbraw/zinc/17/82/31/348178231.db2.gz GBXXBNCFFVBWGK-HZSPNIEDSA-N 1 0 255.402 2.596 50 0 CFAARO C[C@H](CC[NH2+][C@@H]1CCCOc2cc(F)ccc21)[S@](C)=O ZINC000215641463 348163024 /nfs/dbraw/zinc/16/30/24/348163024.db2.gz AHSZKZKCHCOLFP-GIQGCJHYSA-N 1 0 299.411 2.786 50 0 CFAARO C[C@@H]1CC[C@H](CSC2=[NH+][C@H]3CCCC[C@@H]3N2)O1 ZINC000225584573 348178803 /nfs/dbraw/zinc/17/88/03/348178803.db2.gz SFBXYZDGFKPPBI-WYUUTHIRSA-N 1 0 254.399 2.558 50 0 CFAARO C[C@H](C[NH2+][C@@H](C1CC1)C1CCCCC1)[S@](C)=O ZINC000230467454 348206037 /nfs/dbraw/zinc/20/60/37/348206037.db2.gz WDSKGVLFJKKSIW-ZLENFMNRSA-N 1 0 257.443 2.702 50 0 CFAARO Cc1ncccc1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000237353039 348239534 /nfs/dbraw/zinc/23/95/34/348239534.db2.gz CSTCCEWVQHJBNU-CYBMUJFWSA-N 1 0 293.374 2.822 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](c1cnn(C)c1)N(C)C ZINC000248431424 348273505 /nfs/dbraw/zinc/27/35/05/348273505.db2.gz XQXOHRNEXWTKJB-USXIJHARSA-N 1 0 290.455 2.605 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccn2)[C@H](C)C1 ZINC000253369578 348300961 /nfs/dbraw/zinc/30/09/61/348300961.db2.gz FELXRADSYQCAJC-AIANPOQGSA-N 1 0 276.424 2.647 50 0 CFAARO COc1ccc2cc(C[NH2+][C@@H](C)C(OC)OC)ccc2c1 ZINC000079605568 539648987 /nfs/dbraw/zinc/64/89/87/539648987.db2.gz KUGLRXPTYTVCMC-LBPRGKRZSA-N 1 0 289.375 2.945 50 0 CFAARO c1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)co1 ZINC000584884169 348726395 /nfs/dbraw/zinc/72/63/95/348726395.db2.gz RYCLLAQQLYIZNG-CQSZACIVSA-N 1 0 282.347 2.702 50 0 CFAARO CCc1nccn1C[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000584887652 348727630 /nfs/dbraw/zinc/72/76/30/348727630.db2.gz KRRGCLVZEOVTMU-HNNXBMFYSA-N 1 0 292.471 2.688 50 0 CFAARO Cc1csc([C@H](C)[NH2+]C2CSCCSC2)n1 ZINC000584890786 348729042 /nfs/dbraw/zinc/72/90/42/348729042.db2.gz UYXGVWDJXCWXCD-VIFPVBQESA-N 1 0 274.480 2.951 50 0 CFAARO c1ccc(-c2ncc3c(n2)C[N@H+]([C@H]2CCSC2)C3)cc1 ZINC000584894003 348729903 /nfs/dbraw/zinc/72/99/03/348729903.db2.gz SXMSPFBAMLXILW-AWEZNQCLSA-N 1 0 283.400 2.965 50 0 CFAARO C[C@@H](COc1ccccc1)[NH2+]CCC1(O)CCCC1 ZINC000584901690 348732646 /nfs/dbraw/zinc/73/26/46/348732646.db2.gz XDTUYMSDUYMMFH-AWEZNQCLSA-N 1 0 263.381 2.739 50 0 CFAARO Cc1ccnc(N)c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000585136340 348735481 /nfs/dbraw/zinc/73/54/81/348735481.db2.gz BBARJNMUPVVGDX-UHFFFAOYSA-N 1 0 289.423 2.726 50 0 CFAARO Cc1noc(CC[NH2+][C@@H](C)c2sccc2C)n1 ZINC000089518660 179808348 /nfs/dbraw/zinc/80/83/48/179808348.db2.gz XJAQQOGRQQZMJX-VIFPVBQESA-N 1 0 251.355 2.641 50 0 CFAARO C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089920382 179883512 /nfs/dbraw/zinc/88/35/12/179883512.db2.gz OZXZKMGSNLISSF-BZUAXINKSA-N 1 0 278.440 2.757 50 0 CFAARO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000089941275 179888308 /nfs/dbraw/zinc/88/83/08/179888308.db2.gz OPVYHCXHJDUILO-CMPLNLGQSA-N 1 0 295.333 2.665 50 0 CFAARO C[C@H]([NH2+]Cc1cccc(CO)c1)c1nc2ccccc2n1C ZINC000091333874 180136534 /nfs/dbraw/zinc/13/65/34/180136534.db2.gz JSJQDTDFFWFEOE-ZDUSSCGKSA-N 1 0 295.386 2.916 50 0 CFAARO CC(C)=CC(=O)N1C[C@H]([NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000091476315 180166006 /nfs/dbraw/zinc/16/60/06/180166006.db2.gz JUNWNLNHNUCILT-CVEARBPZSA-N 1 0 272.392 2.509 50 0 CFAARO C[C@H](C(=O)NCc1cccs1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104890380 186029519 /nfs/dbraw/zinc/02/95/19/186029519.db2.gz IGQOGXZLYQEXHB-JHJVBQTASA-N 1 0 280.437 2.731 50 0 CFAARO c1ccc(CCC[N@@H+]2CCCN(c3ccncn3)CC2)cc1 ZINC000091603496 180203003 /nfs/dbraw/zinc/20/30/03/180203003.db2.gz BTIFYZHQSFUNKH-UHFFFAOYSA-N 1 0 296.418 2.622 50 0 CFAARO O=C(N[C@H]1C[N@H+](CC2CCC2)C[C@@H]1C1CC1)c1ccoc1 ZINC000091504838 180176137 /nfs/dbraw/zinc/17/61/37/180176137.db2.gz KFEMJCKEXUAAQA-CVEARBPZSA-N 1 0 288.391 2.520 50 0 CFAARO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091541243 180183542 /nfs/dbraw/zinc/18/35/42/180183542.db2.gz FKAYAWDLQGGXEY-VHSXEESVSA-N 1 0 284.762 2.565 50 0 CFAARO Cc1ccc2[nH]c(C[NH2+]CCc3cccnc3)cc(=O)c2c1 ZINC000091636094 180211248 /nfs/dbraw/zinc/21/12/48/180211248.db2.gz YFRQOWRAVVXWGK-UHFFFAOYSA-N 1 0 293.370 2.564 50 0 CFAARO OCc1ccc(C[C@H]2CC[N@H+](Cc3ccoc3)C2)cc1 ZINC000091664305 180220921 /nfs/dbraw/zinc/22/09/21/180220921.db2.gz GCVOVORMBJVVNX-MRXNPFEDSA-N 1 0 271.360 2.837 50 0 CFAARO CCc1[nH+]c(N)nc(N[C@H](C)c2csc(C)n2)c1C ZINC000091965890 180293998 /nfs/dbraw/zinc/29/39/98/180293998.db2.gz DOVZKMGOVLKNTD-MRVPVSSYSA-N 1 0 277.397 2.868 50 0 CFAARO Cc1cc(NCc2c(C)ccc3ncccc32)nc(N)[nH+]1 ZINC000091876378 180278670 /nfs/dbraw/zinc/27/86/70/180278670.db2.gz BXOYMBRQBGXMFF-UHFFFAOYSA-N 1 0 279.347 2.836 50 0 CFAARO Fc1ccccc1[C@H](CNc1ccncn1)[NH+]1CCCC1 ZINC000092001837 180303503 /nfs/dbraw/zinc/30/35/03/180303503.db2.gz ZHYXYWIYOFMYQJ-HNNXBMFYSA-N 1 0 286.354 2.865 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000092101739 180325551 /nfs/dbraw/zinc/32/55/51/180325551.db2.gz UYDUVFDVWWTGGZ-CYBMUJFWSA-N 1 0 298.789 2.779 50 0 CFAARO COc1cc2c(cc1C[NH2+]Cc1ccncc1)O[C@@H](C)C2 ZINC000105759349 186070396 /nfs/dbraw/zinc/07/03/96/186070396.db2.gz AGCDYIFMNCVLBD-LBPRGKRZSA-N 1 0 284.359 2.703 50 0 CFAARO CC[C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106135243 186103410 /nfs/dbraw/zinc/10/34/10/186103410.db2.gz YRRYCOUBMRQLGX-LZWOXQAQSA-N 1 0 274.408 2.984 50 0 CFAARO c1ncc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)[nH]1 ZINC000092405770 180379389 /nfs/dbraw/zinc/37/93/89/180379389.db2.gz LZTDLSCPDNQLBH-UHFFFAOYSA-N 1 0 296.418 2.684 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)c3cccnc3)C2)n1 ZINC000106783365 186135790 /nfs/dbraw/zinc/13/57/90/186135790.db2.gz IWSXWDNJFXYTTL-CZUORRHYSA-N 1 0 299.422 2.763 50 0 CFAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2)on1 ZINC000107070513 186158615 /nfs/dbraw/zinc/15/86/15/186158615.db2.gz XTMZBNCWBWVNTL-NWDGAFQWSA-N 1 0 273.336 2.661 50 0 CFAARO Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000110710815 186316000 /nfs/dbraw/zinc/31/60/00/186316000.db2.gz CENVOLOKDBVQLR-OCCSQVGLSA-N 1 0 294.468 2.937 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(C)cc2C)C1 ZINC000606442019 351270440 /nfs/dbraw/zinc/27/04/40/351270440.db2.gz YFTUVEZDXAMBFG-HLRDLLSLSA-N 1 0 286.419 2.775 50 0 CFAARO Cc1ccc(/C=C\C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000606441910 351270456 /nfs/dbraw/zinc/27/04/56/351270456.db2.gz RTBZISGWUHSNFL-UTXVFXJSSA-N 1 0 286.419 2.902 50 0 CFAARO CC1(C)[C@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccccc1 ZINC000124074387 187121006 /nfs/dbraw/zinc/12/10/06/187121006.db2.gz GFVGLTCLJPGYBN-JKSUJKDBSA-N 1 0 284.407 2.840 50 0 CFAARO Cc1ccc(Br)cc1-c1cc(C[NH3+])[nH]n1 ZINC000217165282 539889934 /nfs/dbraw/zinc/88/99/34/539889934.db2.gz OSWXKFMGLCQROD-UHFFFAOYSA-N 1 0 266.142 2.606 50 0 CFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)[C@@H]1CC=CCC1 ZINC000618256350 352739907 /nfs/dbraw/zinc/73/99/07/352739907.db2.gz GSUNGEZGMTUELC-HUUCEWRRSA-N 1 0 290.432 2.795 50 0 CFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)[C@H]1CC=CCC1 ZINC000618256351 352740117 /nfs/dbraw/zinc/74/01/17/352740117.db2.gz GSUNGEZGMTUELC-LSDHHAIUSA-N 1 0 290.432 2.795 50 0 CFAARO COc1ccc(C[NH2+][C@@](C)(CO)C2CCCCC2)cc1O ZINC000152763265 188041410 /nfs/dbraw/zinc/04/14/10/188041410.db2.gz ACMKNOVEOUYJLB-KRWDZBQOSA-N 1 0 293.407 2.822 50 0 CFAARO FC(F)(F)c1ccc2c(c1)OCC21CC[NH2+]CC1 ZINC000002524475 282922569 /nfs/dbraw/zinc/92/25/69/282922569.db2.gz OSRRDGIBGORFSM-UHFFFAOYSA-N 1 0 257.255 2.719 50 0 CFAARO C[C@@H]1CCN(C(=O)CC(C2CCC2)C2CCC2)C[C@@H]1[NH3+] ZINC000625813700 354118346 /nfs/dbraw/zinc/11/83/46/354118346.db2.gz NCAMYAGBWPNDIH-WBMJQRKESA-N 1 0 278.440 2.789 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]1CO)CCC2 ZINC000685939675 540020330 /nfs/dbraw/zinc/02/03/30/540020330.db2.gz GCXFZUGVVXTGBW-GMXVVIOVSA-N 1 0 266.410 2.580 50 0 CFAARO C=CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000685940200 540021311 /nfs/dbraw/zinc/02/13/11/540021311.db2.gz XOTLHOLUVAOQIM-DOMZBBRYSA-N 1 0 278.783 2.635 50 0 CFAARO CCc1nc([C@@H]([NH3+])C(C)(C)C)n(-c2ccc(OC)cc2)n1 ZINC000823560472 781933487 /nfs/dbraw/zinc/93/34/87/781933487.db2.gz HHHSEVBYUVXNPQ-CQSZACIVSA-N 1 0 288.395 2.884 50 0 CFAARO COc1cc(C)c(C[NH2+][C@H](C)CSC)cc1OC ZINC000083470687 540180750 /nfs/dbraw/zinc/18/07/50/540180750.db2.gz SRVXYLDECXYYKZ-LLVKDONJSA-N 1 0 269.410 2.853 50 0 CFAARO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccnc(Cl)c1 ZINC000083704285 540183575 /nfs/dbraw/zinc/18/35/75/540183575.db2.gz GPMYXZOTTKBVSX-GXTWGEPZSA-N 1 0 279.815 2.794 50 0 CFAARO c1[nH]nc2c1cccc2C[NH2+]Cc1cccc2c1OCCO2 ZINC000084025066 540191995 /nfs/dbraw/zinc/19/19/95/540191995.db2.gz HCGFMYUHEDIPEF-UHFFFAOYSA-N 1 0 295.342 2.624 50 0 CFAARO CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000084544270 540200516 /nfs/dbraw/zinc/20/05/16/540200516.db2.gz BYGBMTHOBCQPLC-DLBZAZTESA-N 1 0 286.419 2.590 50 0 CFAARO [NH2+]=c1ccn(CC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000334156984 283276430 /nfs/dbraw/zinc/27/64/30/283276430.db2.gz QETBJFALSAGFLV-UHFFFAOYSA-N 1 0 270.376 2.753 50 0 CFAARO CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000251808162 540395455 /nfs/dbraw/zinc/39/54/55/540395455.db2.gz OLBVEOXPMURZGK-MGPQQGTHSA-N 1 0 252.402 2.543 50 0 CFAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)cc1C ZINC000247944851 540421980 /nfs/dbraw/zinc/42/19/80/540421980.db2.gz WDDAKVWJJVGPSO-GDBMZVCRSA-N 1 0 274.408 2.672 50 0 CFAARO [NH3+]CCN1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000299782233 283436582 /nfs/dbraw/zinc/43/65/82/283436582.db2.gz USWIODFDKXELSG-KRWDZBQOSA-N 1 0 268.360 2.581 50 0 CFAARO Cc1nc(C)c(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)s1 ZINC000089559229 540718821 /nfs/dbraw/zinc/71/88/21/540718821.db2.gz ADUNKYULLPFIHX-DZGCQCFKSA-N 1 0 274.389 2.508 50 0 CFAARO Fc1cccc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)c1 ZINC000089775146 540719896 /nfs/dbraw/zinc/71/98/96/540719896.db2.gz ZKWDMPMPOJRQNW-HNNXBMFYSA-N 1 0 278.371 2.563 50 0 CFAARO CC[C@H]1c2ccsc2CCN1C(=O)CC1([NH3+])CCC1 ZINC000094294564 540723436 /nfs/dbraw/zinc/72/34/36/540723436.db2.gz AAOYDFWLMCQTSY-LBPRGKRZSA-N 1 0 278.421 2.855 50 0 CFAARO C/C(=C\C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000178580706 189128846 /nfs/dbraw/zinc/12/88/46/189128846.db2.gz JSPUJQPVLILTPM-JATZPVMKSA-N 1 0 278.783 2.551 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C(\C)c2ccccc2Cl)C1 ZINC000179017624 189162311 /nfs/dbraw/zinc/16/23/11/189162311.db2.gz AFAYLSLFQRBWHD-SRXBQZRASA-N 1 0 292.810 2.811 50 0 CFAARO C[C@H](C[NH3+])CC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000299738812 540984015 /nfs/dbraw/zinc/98/40/15/540984015.db2.gz GTXYXVGVZMHMPQ-HUBLWGQQSA-N 1 0 278.371 2.720 50 0 CFAARO C[C@H](C(=O)NCCCC[NH+]1CCCCCC1)n1cccc1 ZINC000670437100 540993987 /nfs/dbraw/zinc/99/39/87/540993987.db2.gz GKXIVDBYIHCEQT-MRXNPFEDSA-N 1 0 291.439 2.822 50 0 CFAARO CC(=O)NC(C)(C)C[C@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000670444044 540996741 /nfs/dbraw/zinc/99/67/41/540996741.db2.gz XZMCBZWNJRRCOU-ZDUSSCGKSA-N 1 0 266.429 2.946 50 0 CFAARO c1cn(CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1 ZINC000670444913 540997223 /nfs/dbraw/zinc/99/72/23/540997223.db2.gz INGNRLUANISJJY-UHFFFAOYSA-N 1 0 281.403 2.763 50 0 CFAARO CNC(=O)CC[C@H]1CCC[N@H+](CCC=C(C)C)C1 ZINC000670447260 540997786 /nfs/dbraw/zinc/99/77/86/540997786.db2.gz ZWMPQSVQBYHABJ-CQSZACIVSA-N 1 0 252.402 2.581 50 0 CFAARO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000670458226 541001854 /nfs/dbraw/zinc/00/18/54/541001854.db2.gz GRFOIXAATROPMD-GFCCVEGCSA-N 1 0 274.393 2.621 50 0 CFAARO Cc1ncn(CC[NH2+][C@H](C)COc2ccccc2)c1C ZINC000670467447 541006851 /nfs/dbraw/zinc/00/68/51/541006851.db2.gz NEQDOGDADAPHMZ-CYBMUJFWSA-N 1 0 273.380 2.557 50 0 CFAARO C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc2ccccc2c1 ZINC000181507668 189298405 /nfs/dbraw/zinc/29/84/05/189298405.db2.gz FJQMOSMNJOJJOC-KDOFPFPSSA-N 1 0 295.386 2.748 50 0 CFAARO C[N@@H+]1CCC[C@@H](CCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000823770644 781937925 /nfs/dbraw/zinc/93/79/25/781937925.db2.gz UFNWZAVVSBWMAQ-ZDUSSCGKSA-N 1 0 270.380 2.746 50 0 CFAARO CC(C)[NH2+]C1CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000182645599 189329812 /nfs/dbraw/zinc/32/98/12/189329812.db2.gz GBEZWQJRVMXXCN-UHFFFAOYSA-N 1 0 292.398 2.861 50 0 CFAARO Fc1ccc(C2(CNC3=[NH+]CCN3)CCCC2)c(Cl)c1 ZINC000186011979 189427757 /nfs/dbraw/zinc/42/77/57/189427757.db2.gz ARDRDDRZYOLWCE-UHFFFAOYSA-N 1 0 295.789 2.840 50 0 CFAARO Cc1cc(CCCC(=O)N2CC[NH2+][C@H](C)C2)c(C)s1 ZINC000188457006 189502876 /nfs/dbraw/zinc/50/28/76/189502876.db2.gz AOINABWILFHNND-LLVKDONJSA-N 1 0 280.437 2.508 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCC(n2cncn2)CC1 ZINC000191059338 189581218 /nfs/dbraw/zinc/58/12/18/189581218.db2.gz PQOLHSWFDDBQRU-GOEBONIOSA-N 1 0 274.412 2.907 50 0 CFAARO C[N@H+](CCC[C@H]1CCCO1)Cc1cccc2nonc21 ZINC000215553012 189694894 /nfs/dbraw/zinc/69/48/94/189694894.db2.gz LBSKCXKODCFBOF-ZDUSSCGKSA-N 1 0 275.352 2.614 50 0 CFAARO COC(=O)N1CCC([NH2+][C@@H]2CCC23CCCC3)CC1 ZINC000252501538 283897124 /nfs/dbraw/zinc/89/71/24/283897124.db2.gz UHDQCQBMZCJYME-CYBMUJFWSA-N 1 0 266.385 2.530 50 0 CFAARO C[C@H]([NH2+]Cc1ccccc1OCCO)c1ccsc1 ZINC000225480708 189753486 /nfs/dbraw/zinc/75/34/86/189753486.db2.gz VTAFZLXQBRWPMW-LBPRGKRZSA-N 1 0 277.389 2.970 50 0 CFAARO COC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008377917 284075209 /nfs/dbraw/zinc/07/52/09/284075209.db2.gz LBFZVPWKURKLJQ-LDYMZIIASA-N 1 0 274.147 2.817 50 0 CFAARO COc1cccc(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000456164860 244093409 /nfs/dbraw/zinc/09/34/09/244093409.db2.gz CSJFJYVNJCWBOJ-UHFFFAOYSA-N 1 0 278.396 2.545 50 0 CFAARO Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1 ZINC000000041257 371515954 /nfs/dbraw/zinc/51/59/54/371515954.db2.gz CJYMXOYAAWDJMB-UHFFFAOYSA-O 1 0 254.338 2.669 50 0 CFAARO CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C ZINC000000057401 371518220 /nfs/dbraw/zinc/51/82/20/371518220.db2.gz VRYMTAVOXVTQEF-UHFFFAOYSA-N 1 0 279.380 2.984 50 0 world CFAARO Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccccc2)cc1C ZINC000000066421 371521082 /nfs/dbraw/zinc/52/10/82/371521082.db2.gz HEFPHRMJPGVGHY-QGZVFWFLSA-N 1 0 285.387 2.833 50 0 CFAARO O=C(Nc1cccc(Cl)c1)O[C@@H]1C[NH+]2CCC1CC2 ZINC000000129741 371536824 /nfs/dbraw/zinc/53/68/24/371536824.db2.gz QCWZYJPDPROWAC-CYBMUJFWSA-N 1 0 280.755 2.983 50 0 CFAARO Cc1[nH]c2ccc(Br)cc2c1CC[NH3+] ZINC000000128067 371536959 /nfs/dbraw/zinc/53/69/59/371536959.db2.gz UPUOXDPQRITUJL-UHFFFAOYSA-N 1 0 253.143 2.740 50 0 CFAARO Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CC[NH3+] ZINC000000140731 371541695 /nfs/dbraw/zinc/54/16/95/371541695.db2.gz DPXCGYZETKLAHZ-UHFFFAOYSA-N 1 0 258.243 2.876 50 0 CFAARO O=C(OCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000000210718 371558749 /nfs/dbraw/zinc/55/87/49/371558749.db2.gz NUTMUOIVECVZDX-UHFFFAOYSA-N 1 0 267.756 2.983 50 0 CFAARO CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000000176619 371550111 /nfs/dbraw/zinc/55/01/11/371550111.db2.gz ZFJYXDNPVXDDHC-UHFFFAOYSA-N 1 0 264.344 2.886 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000000236974 371564350 /nfs/dbraw/zinc/56/43/50/371564350.db2.gz HLMFFJLTLCAFPU-OAHLLOKOSA-N 1 0 292.398 2.906 50 0 CFAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccco3)CC2)C1 ZINC000000239061 371565036 /nfs/dbraw/zinc/56/50/36/371565036.db2.gz VIVZJZMYIFYJPB-KGLIPLIRSA-N 1 0 276.380 2.616 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000000240280 371566265 /nfs/dbraw/zinc/56/62/65/371566265.db2.gz YNKOWKCMEDWXBE-HNNXBMFYSA-N 1 0 291.391 2.779 50 0 CFAARO CCOC(=O)Cc1c2ccccc2[nH]c1-[n+]1ccccc1 ZINC000000259445 371571885 /nfs/dbraw/zinc/57/18/85/371571885.db2.gz RCJCCBNDJNKJMQ-UHFFFAOYSA-N 1 0 281.335 2.550 50 0 CFAARO C[N@@H+]1CCC[C@H](OC(=O)c2ccccc2Cl)C1 ZINC000000316629 371585691 /nfs/dbraw/zinc/58/56/91/371585691.db2.gz QHKYGRMPOPQKTQ-JTQLQIEISA-N 1 0 253.729 2.591 50 0 CFAARO Fc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000000317208 371585963 /nfs/dbraw/zinc/58/59/63/371585963.db2.gz HSEHCQJLPBUHJC-UHFFFAOYSA-N 1 0 262.372 2.886 50 0 CFAARO Cc1ccc2n(C)c(-c3ccc(C=O)cc3)c[n+]2c1 ZINC000000337606 371589761 /nfs/dbraw/zinc/58/97/61/371589761.db2.gz UTNIRNKDFOQKDB-UHFFFAOYSA-N 1 0 251.309 2.552 50 0 CFAARO COc1cccc(C(=O)O[C@H](C)C[NH+]2CCCCC2)c1 ZINC000000375663 371599153 /nfs/dbraw/zinc/59/91/53/371599153.db2.gz IUXSRSZLONIJHD-CYBMUJFWSA-N 1 0 277.364 2.726 50 0 CFAARO CCc1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cc1 ZINC000000455498 371619767 /nfs/dbraw/zinc/61/97/67/371619767.db2.gz VKFQPXUFLIQRLS-UHFFFAOYSA-N 1 0 288.435 2.986 50 0 CFAARO C[NH+](C)CCSc1nnc2sc3ccccc3n12 ZINC000000463140 371621873 /nfs/dbraw/zinc/62/18/73/371621873.db2.gz CDFOUWJQPXLDGX-UHFFFAOYSA-N 1 0 278.406 2.598 50 0 CFAARO O=C(NCC[NH+]1CCCC1)c1ccc(Cl)cc1Cl ZINC000000796521 371648537 /nfs/dbraw/zinc/64/85/37/371648537.db2.gz NOXWATAPBVSDKV-UHFFFAOYSA-N 1 0 287.190 2.819 50 0 CFAARO Fc1ccc(OCCCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000001819118 371707949 /nfs/dbraw/zinc/70/79/49/371707949.db2.gz FZJAVZYWZURUPA-HNNXBMFYSA-N 1 0 267.344 2.753 50 0 CFAARO CCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1 ZINC000001833029 371708761 /nfs/dbraw/zinc/70/87/61/371708761.db2.gz OWWVHQUOYSPNNE-UHFFFAOYSA-N 1 0 265.353 2.584 50 0 in-man CFAARO [NH3+]CCCNc1ncc(C(F)(F)F)cc1Cl ZINC000002574891 371739319 /nfs/dbraw/zinc/73/93/19/371739319.db2.gz VWZZHZKVXJMQHL-UHFFFAOYSA-N 1 0 253.655 2.515 50 0 CFAARO C[NH+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002193499 371720617 /nfs/dbraw/zinc/72/06/17/371720617.db2.gz PRJKISUGFXPPMT-CYBMUJFWSA-N 1 0 268.360 2.717 50 0 CFAARO [NH2+]=C1N=C2Sc3ccccc3N2[C@H](c2ccccc2)N1 ZINC000002353699 371724386 /nfs/dbraw/zinc/72/43/86/371724386.db2.gz ZTVHAYJMTVEMDG-CYBMUJFWSA-N 1 0 280.356 2.982 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000002390278 371726492 /nfs/dbraw/zinc/72/64/92/371726492.db2.gz CJIVTCRTDRPEPI-SNVBAGLBSA-N 1 0 262.136 2.946 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cc2ccccc2cc1O ZINC000001733656 371703345 /nfs/dbraw/zinc/70/33/45/371703345.db2.gz QPSCKXFVFUDADB-UHFFFAOYSA-N 1 0 286.375 2.617 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1ccccc1C(C)(C)C ZINC000002674824 371746875 /nfs/dbraw/zinc/74/68/75/371746875.db2.gz WMISHXACHUDUEI-CYBMUJFWSA-N 1 0 265.397 2.722 50 0 CFAARO COc1ccc(C[N@H+](C)C2CCN(C)CC2)c(C)c1C ZINC000002811283 371757187 /nfs/dbraw/zinc/75/71/87/371757187.db2.gz HKBHPHYPOAKESL-UHFFFAOYSA-N 1 0 276.424 2.838 50 0 CFAARO Cc1c(Cl)cccc1NC(=O)NCCC[NH+](C)C ZINC000002857625 371758762 /nfs/dbraw/zinc/75/87/62/371758762.db2.gz QPCKLAICKDSXJQ-UHFFFAOYSA-N 1 0 269.776 2.722 50 0 CFAARO Cc1cccc(C)c1OCCOCC[NH+]1CCCC1 ZINC000002894402 371762648 /nfs/dbraw/zinc/76/26/48/371762648.db2.gz RRGWPVWFWKTMKE-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO COc1cccc(OC)c1OCCC[NH+]1CCCCC1 ZINC000002931618 371765086 /nfs/dbraw/zinc/76/50/86/371765086.db2.gz IBKJLOGRVOHUHN-UHFFFAOYSA-N 1 0 279.380 2.959 50 0 CFAARO C[NH+](C)CCCNC(=O)Nc1cccc2ccccc21 ZINC000003013063 371769068 /nfs/dbraw/zinc/76/90/68/371769068.db2.gz QYAQNAGMVSGBFR-UHFFFAOYSA-N 1 0 271.364 2.913 50 0 CFAARO CCOc1cccc(OCCOCC[NH2+]C(C)(C)C)c1 ZINC000003000413 371769310 /nfs/dbraw/zinc/76/93/10/371769310.db2.gz MQBZOQRCEFHYFL-UHFFFAOYSA-N 1 0 281.396 2.869 50 0 CFAARO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000003310767 371789072 /nfs/dbraw/zinc/78/90/72/371789072.db2.gz DKEMWFYEBAUWLY-DOMZBBRYSA-N 1 0 278.371 2.610 50 0 CFAARO CC(C)Oc1ccccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000003315113 371789378 /nfs/dbraw/zinc/78/93/78/371789378.db2.gz ILQNOGAVCPZUKC-CQSZACIVSA-N 1 0 279.380 2.621 50 0 CFAARO O[C@H](C[NH2+]Cc1ccc(Cl)cc1)COc1ccccc1 ZINC000002616013 371741177 /nfs/dbraw/zinc/74/11/77/371741177.db2.gz XUMWZOHEALGQBC-OAHLLOKOSA-N 1 0 291.778 2.870 50 0 CFAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000004027711 371829174 /nfs/dbraw/zinc/82/91/74/371829174.db2.gz QPBHVUSXOHDYKE-LSDHHAIUSA-N 1 0 265.397 2.984 50 0 CFAARO CCc1ccc(OCC[NH2+]Cc2cccnc2)cc1 ZINC000004054551 371830661 /nfs/dbraw/zinc/83/06/61/371830661.db2.gz LRHAXLZWKSRNOU-UHFFFAOYSA-N 1 0 256.349 2.813 50 0 CFAARO CCOC(=O)N1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000003683716 371815831 /nfs/dbraw/zinc/81/58/31/371815831.db2.gz IUCYSGPKKKQQBB-OAHLLOKOSA-N 1 0 290.407 2.782 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1ccc(C(C)C)cc1 ZINC000003683902 371816272 /nfs/dbraw/zinc/81/62/72/371816272.db2.gz JSASUZMVCVIJBP-AWEZNQCLSA-N 1 0 251.370 2.548 50 0 CFAARO CC(C)[C@@H]1O[C@@H](c2ccccc2)CN1CCC[NH+](C)C ZINC000004023188 371828881 /nfs/dbraw/zinc/82/88/81/371828881.db2.gz PBFNXZXJUZGFQH-SJORKVTESA-N 1 0 276.424 2.994 50 0 CFAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCCC1 ZINC000004600053 371868102 /nfs/dbraw/zinc/86/81/02/371868102.db2.gz ADGQVRWFCSXWTR-UHFFFAOYSA-N 1 0 290.382 2.660 50 0 CFAARO Brc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000004657488 371870131 /nfs/dbraw/zinc/87/01/31/371870131.db2.gz MODSMIPXXVAJJP-GFCCVEGCSA-N 1 0 270.170 2.718 50 0 CFAARO CCc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000004838204 371875314 /nfs/dbraw/zinc/87/53/14/371875314.db2.gz LZKMHDZUVGLYNZ-UHFFFAOYSA-N 1 0 281.403 2.966 50 0 CFAARO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000004133193 371835903 /nfs/dbraw/zinc/83/59/03/371835903.db2.gz JPZYFSXOLMVJBX-KBPBESRZSA-N 1 0 277.364 2.505 50 0 CFAARO C1=CC[C@H]([C@H]2OC[C@H](C[NH+]3CCCCC3)O2)CC1 ZINC000004124613 371836758 /nfs/dbraw/zinc/83/67/58/371836758.db2.gz NENUGJWNMCYKJE-KKUMJFAQSA-N 1 0 251.370 2.570 50 0 CFAARO CC(C)(C)OC(=O)N1CC=C([NH+]2CCCC2)CC1 ZINC000004203012 371840695 /nfs/dbraw/zinc/84/06/95/371840695.db2.gz ULPQSKBVAPQQTP-UHFFFAOYSA-N 1 0 252.358 2.607 50 0 CFAARO CC1CC[NH+](CCCNC(=O)c2ccc(F)cc2)CC1 ZINC000010540227 371910145 /nfs/dbraw/zinc/91/01/45/371910145.db2.gz PYSSMCHFNWJEIN-UHFFFAOYSA-N 1 0 278.371 2.678 50 0 CFAARO Cn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cn1 ZINC000012708534 371981461 /nfs/dbraw/zinc/98/14/61/371981461.db2.gz OWOCDFIDFLBRSN-MRXNPFEDSA-N 1 0 288.370 2.636 50 0 CFAARO O[C@H](C[NH2+]C1CCCCC1)COC1CCCCC1 ZINC000012343520 371952811 /nfs/dbraw/zinc/95/28/11/371952811.db2.gz YLFUIAUWANZBGV-CQSZACIVSA-N 1 0 255.402 2.619 50 0 CFAARO Clc1ccc(C[NH2+]CCc2nnc3ccccn32)cc1 ZINC000014170040 372061676 /nfs/dbraw/zinc/06/16/76/372061676.db2.gz MQIWACOBCJKLMR-UHFFFAOYSA-N 1 0 286.766 2.715 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2cccc3cccnc32)CC1 ZINC000012973446 372004963 /nfs/dbraw/zinc/00/49/63/372004963.db2.gz FFCXTFJRNNJCHZ-UHFFFAOYSA-N 1 0 297.402 2.837 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1)c1ccsc1 ZINC000013011273 372011309 /nfs/dbraw/zinc/01/13/09/372011309.db2.gz NIIGIKKYIFRENN-CQSZACIVSA-N 1 0 274.389 2.781 50 0 CFAARO Cc1scc(C(=O)NCC[NH+]2CCCCC2)c1C ZINC000016602392 372111843 /nfs/dbraw/zinc/11/18/43/372111843.db2.gz WYNSZVMPGXUPCI-UHFFFAOYSA-N 1 0 266.410 2.581 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000016605047 372113097 /nfs/dbraw/zinc/11/30/97/372113097.db2.gz HBAYCGAGZGKXKH-UHFFFAOYSA-N 1 0 260.381 2.599 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000016604043 372113553 /nfs/dbraw/zinc/11/35/53/372113553.db2.gz KSGFAXBWLJOONR-UHFFFAOYSA-N 1 0 266.772 2.554 50 0 CFAARO C[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000014194711 372064091 /nfs/dbraw/zinc/06/40/91/372064091.db2.gz LJBOGAMUOAVIJC-AWEZNQCLSA-N 1 0 260.381 2.740 50 0 CFAARO CN1CC[N@H+](Cc2cc3ccccc3s2)CCC1=O ZINC000014882212 372075565 /nfs/dbraw/zinc/07/55/65/372075565.db2.gz VEKIQHJQBKFSAO-UHFFFAOYSA-N 1 0 274.389 2.565 50 0 CFAARO CCOC(=O)[C@]1(Cc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000015020749 372078543 /nfs/dbraw/zinc/07/85/43/372078543.db2.gz HOMFKEKEFUWXGK-HNNXBMFYSA-N 1 0 281.783 2.815 50 0 CFAARO CCCC1c2cccn2CC[N+]1=CC(=O)c1ccccc1 ZINC000015973963 372096628 /nfs/dbraw/zinc/09/66/28/372096628.db2.gz PFAYYKVDJOHJJP-UHFFFAOYSA-N 1 0 281.379 2.850 50 0 CFAARO Fc1cccc(COc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC000019688539 372179781 /nfs/dbraw/zinc/17/97/81/372179781.db2.gz XLPDUCOJQLXVJF-UHFFFAOYSA-N 1 0 286.350 2.814 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000019108635 372148778 /nfs/dbraw/zinc/14/87/78/372148778.db2.gz RVBGBAJRDDQYCN-SNVBAGLBSA-N 1 0 290.392 2.504 50 0 CFAARO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000019682502 372180842 /nfs/dbraw/zinc/18/08/42/372180842.db2.gz PIRAUBOLNUUZIV-LLVKDONJSA-N 1 0 270.760 2.865 50 0 CFAARO CC(C)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000019536568 372174245 /nfs/dbraw/zinc/17/42/45/372174245.db2.gz PSSSAAKBQTURDJ-UHFFFAOYSA-N 1 0 296.418 2.922 50 0 CFAARO C[N@@H+]1CCCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019536221 372174316 /nfs/dbraw/zinc/17/43/16/372174316.db2.gz MZOJPALXLAQJGI-UHFFFAOYSA-N 1 0 272.314 2.843 50 0 CFAARO C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000019607537 372178051 /nfs/dbraw/zinc/17/80/51/372178051.db2.gz GYEFZEZEZZBQAP-MRXNPFEDSA-N 1 0 272.392 2.721 50 0 CFAARO COc1ccc2[nH]c(C3CCC(C[NH3+])CC3)nc2c1 ZINC000019737166 372182584 /nfs/dbraw/zinc/18/25/84/372182584.db2.gz RTSFLODLKBBKJO-UHFFFAOYSA-N 1 0 259.353 2.804 50 0 CFAARO [NH3+]Cc1nc2ccccc2n1CCc1ccccc1 ZINC000019734169 372182631 /nfs/dbraw/zinc/18/26/31/372182631.db2.gz CRDGKSJGYXFCHX-UHFFFAOYSA-N 1 0 251.333 2.738 50 0 CFAARO Clc1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000019607598 372178814 /nfs/dbraw/zinc/17/88/14/372178814.db2.gz FAAUFNXDZLUFER-UHFFFAOYSA-N 1 0 269.772 2.831 50 0 CFAARO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000017135695 372127594 /nfs/dbraw/zinc/12/75/94/372127594.db2.gz VDGUYYDRKTUPQS-CZUORRHYSA-N 1 0 277.408 2.775 50 0 CFAARO Fc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019735231 372182703 /nfs/dbraw/zinc/18/27/03/372182703.db2.gz KKMSCNTZDCYNSC-KRWDZBQOSA-N 1 0 270.351 2.820 50 0 CFAARO C[NH+]1CCC(Nc2ccccc2OC(F)F)CC1 ZINC000020096244 372230480 /nfs/dbraw/zinc/23/04/80/372230480.db2.gz AMQPZNPCLDLMCN-UHFFFAOYSA-N 1 0 256.296 2.794 50 0 CFAARO C[NH+]1CCN(CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000020118376 372232917 /nfs/dbraw/zinc/23/29/17/372232917.db2.gz LQIJGUKTBDKXHB-UHFFFAOYSA-N 1 0 289.206 2.620 50 0 CFAARO CC(C)(C)c1cn(C2CC[NH+]([C@H]3CCSC3)CC2)nn1 ZINC000020451498 372237617 /nfs/dbraw/zinc/23/76/17/372237617.db2.gz FSFGBRURAVAAST-ZDUSSCGKSA-N 1 0 294.468 2.718 50 0 CFAARO c1cnc2ccc(-c3cccc(N4CC[NH2+]CC4)n3)cc2c1 ZINC000019743139 372183501 /nfs/dbraw/zinc/18/35/01/372183501.db2.gz MNGWROCPBWRZKQ-UHFFFAOYSA-N 1 0 290.370 2.706 50 0 CFAARO CCn1ncc(C)c1NC(=O)CC[NH+]1Cc2ccccc2C1 ZINC000019741727 372184848 /nfs/dbraw/zinc/18/48/48/372184848.db2.gz GNFVSLDFURPWGO-UHFFFAOYSA-N 1 0 298.390 2.556 50 0 CFAARO c1ccc(COc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC000019787555 372188364 /nfs/dbraw/zinc/18/83/64/372188364.db2.gz YZRJTYFUWXERTI-UHFFFAOYSA-N 1 0 282.387 2.671 50 0 CFAARO COc1cc(C[NH2+][C@@H]2COc3ccccc3C2)ccc1F ZINC000019842180 372198191 /nfs/dbraw/zinc/19/81/91/372198191.db2.gz DMDPMFPSVJGRBG-AWEZNQCLSA-N 1 0 287.334 2.928 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000019900095 372203526 /nfs/dbraw/zinc/20/35/26/372203526.db2.gz RBNGVYCZXDLJSJ-SWLSCSKDSA-N 1 0 295.448 2.822 50 0 CFAARO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000025054887 372288923 /nfs/dbraw/zinc/28/89/23/372288923.db2.gz MRBWGHJZGIKUDH-CYBMUJFWSA-N 1 0 260.381 2.972 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccsc1 ZINC000025329634 372296558 /nfs/dbraw/zinc/29/65/58/372296558.db2.gz KJJWUXLXXOYVLI-OCCSQVGLSA-N 1 0 278.421 2.823 50 0 CFAARO Cc1occc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025330776 372297303 /nfs/dbraw/zinc/29/73/03/372297303.db2.gz COUZUXXXJYCGFT-ZDUSSCGKSA-N 1 0 278.377 2.682 50 0 CFAARO c1nc(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)c[nH]1 ZINC000022918463 372248385 /nfs/dbraw/zinc/24/83/85/372248385.db2.gz PHWOIBWHLNICRZ-HNNXBMFYSA-N 1 0 276.428 2.544 50 0 CFAARO c1ccc(CC[NH2+][C@@H]2CCc3ccccc3C2)nc1 ZINC000023280154 372255671 /nfs/dbraw/zinc/25/56/71/372255671.db2.gz GZYKCVCEAJAHJC-QGZVFWFLSA-N 1 0 252.361 2.771 50 0 CFAARO CC(C)[N@@H+]1CCN(Cc2ccccc2Cl)C[C@@H]1CCO ZINC000023358723 372258148 /nfs/dbraw/zinc/25/81/48/372258148.db2.gz RPLVKGYENHHYSA-HNNXBMFYSA-N 1 0 296.842 2.617 50 0 CFAARO O=C(NC1CC=CC1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023619750 372262303 /nfs/dbraw/zinc/26/23/03/372262303.db2.gz CKESQJOZDIRYSD-NSHDSACASA-N 1 0 262.378 2.621 50 0 CFAARO Cc1sc2[nH]c(SCC[NH+](C)C)nc(=O)c2c1C ZINC000023640393 372262452 /nfs/dbraw/zinc/26/24/52/372262452.db2.gz NOKSSJBFWRPWPF-UHFFFAOYSA-N 1 0 283.422 2.667 50 0 CFAARO C[NH+](C)CCn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000023619094 372263304 /nfs/dbraw/zinc/26/33/04/372263304.db2.gz UCYXUHPVPLRDGI-UHFFFAOYSA-N 1 0 293.374 2.569 50 0 CFAARO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000026462940 372321237 /nfs/dbraw/zinc/32/12/37/372321237.db2.gz JBIYMCXLWIRUIV-OAHLLOKOSA-N 1 0 274.408 2.876 50 0 CFAARO CC(C)[C@@H](C)[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000026672048 372328151 /nfs/dbraw/zinc/32/81/51/372328151.db2.gz RVHKEXWWQVSKAI-GFCCVEGCSA-N 1 0 260.381 2.794 50 0 CFAARO Cc1cccn2c(=O)cc(C[N@@H+]([C@@H](C)C3CC3)C3CC3)nc12 ZINC000029725321 372384174 /nfs/dbraw/zinc/38/41/74/372384174.db2.gz QERJIPJQEDGOJM-ZDUSSCGKSA-N 1 0 297.402 2.766 50 0 CFAARO COc1ccc2[nH]cc(C[NH2+]Cc3cccnc3)c2c1 ZINC000030714472 372398272 /nfs/dbraw/zinc/39/82/72/372398272.db2.gz YXOXNPHPJSRACX-UHFFFAOYSA-N 1 0 267.332 2.861 50 0 CFAARO Cc1cc(C(=O)NCC[NH+]2CCCC2)c2cccc(C)c2n1 ZINC000032961551 372479501 /nfs/dbraw/zinc/47/95/01/372479501.db2.gz QMORYARVNSNFSR-UHFFFAOYSA-N 1 0 297.402 2.677 50 0 CFAARO O[C@H](C[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000032112798 372429003 /nfs/dbraw/zinc/42/90/03/372429003.db2.gz XCYAKQVSHJLMSL-CQSZACIVSA-N 1 0 262.740 2.558 50 0 CFAARO CCCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC000032495023 372441544 /nfs/dbraw/zinc/44/15/44/372441544.db2.gz QDFFQPVWHQXPNH-UHFFFAOYSA-N 1 0 289.423 2.876 50 0 CFAARO CC(C)=CCC[C@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000032541213 372443262 /nfs/dbraw/zinc/44/32/62/372443262.db2.gz VGNOFIWQWBMWNU-ZDUSSCGKSA-N 1 0 273.442 2.536 50 0 CFAARO c1ccc(CCCN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000032517869 372443344 /nfs/dbraw/zinc/44/33/44/372443344.db2.gz WVFUKDMILYTKSV-QGZVFWFLSA-N 1 0 258.409 2.789 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCSCC2)c(C)c1 ZINC000032541275 372444683 /nfs/dbraw/zinc/44/46/83/372444683.db2.gz UAOOHDRDWBCARQ-HNNXBMFYSA-N 1 0 295.448 2.528 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1ccc(F)cc1Cl ZINC000032679779 372453934 /nfs/dbraw/zinc/45/39/34/372453934.db2.gz CLLVBUXWKKHGPZ-UHFFFAOYSA-N 1 0 258.724 2.759 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2C)CC[N@H+](C)[C@@H]1C ZINC000033865025 372502494 /nfs/dbraw/zinc/50/24/94/372502494.db2.gz AVJHHMSHPYWQSR-CZUORRHYSA-N 1 0 261.365 2.868 50 0 CFAARO FC(F)(F)CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034264448 372506350 /nfs/dbraw/zinc/50/63/50/372506350.db2.gz GBBWFNQLKOWTGS-ZDUSSCGKSA-N 1 0 272.314 2.660 50 0 CFAARO NC(=O)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000035047812 372534019 /nfs/dbraw/zinc/53/40/19/372534019.db2.gz PKYNHMDBWKTJQC-UHFFFAOYSA-N 1 0 288.778 2.771 50 0 CFAARO CCOCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000036228971 372568543 /nfs/dbraw/zinc/56/85/43/372568543.db2.gz QSFLUAXELRBPHN-UHFFFAOYSA-N 1 0 276.149 2.714 50 0 CFAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000036448893 372580433 /nfs/dbraw/zinc/58/04/33/372580433.db2.gz XWPRXRQVSRXMKZ-NWDGAFQWSA-N 1 0 266.410 2.657 50 0 CFAARO Fc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000036932243 372612267 /nfs/dbraw/zinc/61/22/67/372612267.db2.gz VVBKHXRCVVLLTM-UHFFFAOYSA-N 1 0 285.366 2.979 50 0 CFAARO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(C)sc1C ZINC000037002195 372624298 /nfs/dbraw/zinc/62/42/98/372624298.db2.gz COSDZQKJZSTTGD-BXKDBHETSA-N 1 0 254.399 2.670 50 0 CFAARO CCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036873842 372604425 /nfs/dbraw/zinc/60/44/25/372604425.db2.gz SLPWRGBXMXVDQN-SNVBAGLBSA-N 1 0 259.309 2.605 50 0 CFAARO CC[N@@H+]1CC[C@H](CNCc2cc3cccc(OC)c3o2)C1 ZINC000037644469 372682686 /nfs/dbraw/zinc/68/26/86/372682686.db2.gz HLWWWELPILXENL-CYBMUJFWSA-N 1 0 288.391 2.873 50 0 CFAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766356 372702867 /nfs/dbraw/zinc/70/28/67/372702867.db2.gz MJYIPFKTHWAITB-IUODEOHRSA-N 1 0 275.396 2.599 50 0 CFAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1c[nH]nc1C ZINC000037883055 372731412 /nfs/dbraw/zinc/73/14/12/372731412.db2.gz BOWRCXDMXGMSGB-LBPRGKRZSA-N 1 0 259.353 2.886 50 0 CFAARO Cc1noc(C)c1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000037786525 372709034 /nfs/dbraw/zinc/70/90/34/372709034.db2.gz JAUQVALXENQKKX-UHFFFAOYSA-N 1 0 265.401 2.644 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+]C1CCC(O)CC1 ZINC000037978616 372745692 /nfs/dbraw/zinc/74/56/92/372745692.db2.gz DGTRXZBHIJTNDE-UHFFFAOYSA-N 1 0 269.772 2.742 50 0 CFAARO COC(=O)CC[N@H+](C)Cc1cc(Br)cs1 ZINC000042250521 372896532 /nfs/dbraw/zinc/89/65/32/372896532.db2.gz ZTZAPPUYYRDEME-UHFFFAOYSA-N 1 0 292.198 2.506 50 0 CFAARO C[C@H](CC(=O)NC[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000042502879 372927885 /nfs/dbraw/zinc/92/78/85/372927885.db2.gz UASAEECTNMCYBX-CABCVRRESA-N 1 0 274.408 2.781 50 0 CFAARO C[C@H]([NH2+]CCn1cccn1)c1cc(F)ccc1F ZINC000042538936 372934947 /nfs/dbraw/zinc/93/49/47/372934947.db2.gz DVBMWWDJWBQFTF-JTQLQIEISA-N 1 0 251.280 2.512 50 0 CFAARO COc1cc(COCC[C@@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000042774045 372954023 /nfs/dbraw/zinc/95/40/23/372954023.db2.gz NUTMJMZZBWZYEX-AWEZNQCLSA-N 1 0 279.380 2.753 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000043132237 372976877 /nfs/dbraw/zinc/97/68/77/372976877.db2.gz WLZUDVDBYLHZBU-UHFFFAOYSA-N 1 0 290.451 2.805 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccccn2)C1 ZINC000047038438 373076383 /nfs/dbraw/zinc/07/63/83/373076383.db2.gz JRGFPHIXLLOLDS-GASCZTMLSA-N 1 0 289.423 2.570 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccs2)C1 ZINC000047416336 373094671 /nfs/dbraw/zinc/09/46/71/373094671.db2.gz TZPFWNSZZLUTOD-CHWSQXEVSA-N 1 0 280.437 2.846 50 0 CFAARO c1cc2c(cc1[C@H]1CCC[N@H+]1C[C@@H]1CCOC1)OCCO2 ZINC000047706671 373113638 /nfs/dbraw/zinc/11/36/38/373113638.db2.gz LVSFXYGSZSENNJ-DZGCQCFKSA-N 1 0 289.375 2.631 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000048309715 373161634 /nfs/dbraw/zinc/16/16/34/373161634.db2.gz YUMWFVUJBZOESC-GFCCVEGCSA-N 1 0 277.393 2.521 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)CC(C)(C)C)Cc1ccccc1 ZINC000048332505 373162884 /nfs/dbraw/zinc/16/28/84/373162884.db2.gz GMLMSUJDQUSFTL-HNNXBMFYSA-N 1 0 276.424 2.712 50 0 CFAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)N1CCCCC1 ZINC000048332884 373163261 /nfs/dbraw/zinc/16/32/61/373163261.db2.gz CSXZNJDZXZUKBB-QGZVFWFLSA-N 1 0 286.419 2.706 50 0 CFAARO CC1CCN(C(=O)C[N@H+](C)C2CCCCC2)CC1 ZINC000048342119 373165300 /nfs/dbraw/zinc/16/53/00/373165300.db2.gz VKFFKQKQHQIJNG-UHFFFAOYSA-N 1 0 252.402 2.509 50 0 CFAARO C[C@@H]([NH2+]Cc1cccn1C)c1ccc2c(c1)OCCO2 ZINC000049137669 373273489 /nfs/dbraw/zinc/27/34/89/373273489.db2.gz BRUYEHHATAALIJ-GFCCVEGCSA-N 1 0 272.348 2.647 50 0 CFAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccncc1 ZINC000048964671 373241957 /nfs/dbraw/zinc/24/19/57/373241957.db2.gz PJQONKPAHDWLII-UHFFFAOYSA-N 1 0 277.412 2.522 50 0 CFAARO Cn1ccnc1C[NH2+]CCCn1ccc2ccccc21 ZINC000049856686 373323603 /nfs/dbraw/zinc/32/36/03/373323603.db2.gz UTCWDFZEFFLWHF-UHFFFAOYSA-N 1 0 268.364 2.555 50 0 CFAARO OCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000052453294 373444389 /nfs/dbraw/zinc/44/43/89/373444389.db2.gz PWNYNYKJGXTXOS-CYBMUJFWSA-N 1 0 284.197 2.968 50 0 CFAARO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(F)cc1 ZINC000052537326 373444556 /nfs/dbraw/zinc/44/45/56/373444556.db2.gz DTKMORFVZLHBEA-UHFFFAOYSA-N 1 0 258.296 2.554 50 0 CFAARO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)CC1CC1 ZINC000052890843 373456809 /nfs/dbraw/zinc/45/68/09/373456809.db2.gz HBIIFVGSBWBYNN-UHFFFAOYSA-N 1 0 261.325 2.952 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000053202350 373469674 /nfs/dbraw/zinc/46/96/74/373469674.db2.gz YWSZSIJIELWPAY-LBPRGKRZSA-N 1 0 286.297 2.529 50 0 CFAARO CCOC(=O)CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000053399541 373477638 /nfs/dbraw/zinc/47/76/38/373477638.db2.gz XGPDPJDWDBKLNG-LLVKDONJSA-N 1 0 253.367 2.838 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000054226414 373506314 /nfs/dbraw/zinc/50/63/14/373506314.db2.gz QOYMBBLLOHUKCU-BBRMVZONSA-N 1 0 272.392 2.738 50 0 CFAARO Cc1ccccc1-c1noc(C[C@H]2CCC[NH2+]C2)n1 ZINC000054301287 373513212 /nfs/dbraw/zinc/51/32/12/373513212.db2.gz GTYLXXSGFRYZBF-GFCCVEGCSA-N 1 0 257.337 2.587 50 0 CFAARO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)n[nH]1 ZINC000054774438 373530554 /nfs/dbraw/zinc/53/05/54/373530554.db2.gz ZZJFEJAJRUPFCW-UHFFFAOYSA-N 1 0 284.363 2.566 50 0 CFAARO Cc1noc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000053641597 373484333 /nfs/dbraw/zinc/48/43/33/373484333.db2.gz WBGFADDODTYIQF-UHFFFAOYSA-N 1 0 257.337 2.758 50 0 CFAARO CC[C@@H](C)c1ccccc1OCC(=O)NCCCC[NH2+]C ZINC000055119329 373541123 /nfs/dbraw/zinc/54/11/23/373541123.db2.gz SLALGJNHWNMJHP-CQSZACIVSA-N 1 0 292.423 2.695 50 0 CFAARO CCCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000055911029 373559990 /nfs/dbraw/zinc/55/99/90/373559990.db2.gz OYFCCGSWOQTQNM-OAHLLOKOSA-N 1 0 260.381 2.658 50 0 CFAARO O=C(NC1CC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000055913613 373561009 /nfs/dbraw/zinc/56/10/09/373561009.db2.gz IMDSOGQNIDMYPM-UHFFFAOYSA-N 1 0 286.419 2.610 50 0 CFAARO O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)C1CC1 ZINC000056479009 373564842 /nfs/dbraw/zinc/56/48/42/373564842.db2.gz PYLPQKDUCLRTBQ-UHFFFAOYSA-N 1 0 299.418 2.567 50 0 CFAARO C[C@H](c1nc(C2CC2)no1)N1CCC(CC[NH+](C)C)CC1 ZINC000056525381 373566790 /nfs/dbraw/zinc/56/67/90/373566790.db2.gz GOHSAOBEZZSUNJ-GFCCVEGCSA-N 1 0 292.427 2.672 50 0 CFAARO COCCCCC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058136295 373627007 /nfs/dbraw/zinc/62/70/07/373627007.db2.gz MSOOMTMGEKRHQK-IYBDPMFKSA-N 1 0 298.471 2.677 50 0 CFAARO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2nccn2C)c1 ZINC000058166273 373629961 /nfs/dbraw/zinc/62/99/61/373629961.db2.gz QYSOZZWCGSSYQN-HNNXBMFYSA-N 1 0 285.391 2.636 50 0 CFAARO c1cc(C2CC[NH+](Cc3nc4ccccc4o3)CC2)n[nH]1 ZINC000058251539 373637403 /nfs/dbraw/zinc/63/74/03/373637403.db2.gz UVOQPQTXCHPAAY-UHFFFAOYSA-N 1 0 282.347 2.931 50 0 CFAARO CC(C)c1csc(NC(=O)C[N@@H+](C)C(C)C)n1 ZINC000058316103 373644583 /nfs/dbraw/zinc/64/45/83/373644583.db2.gz RSNFNBGSWFHHCY-UHFFFAOYSA-N 1 0 255.387 2.545 50 0 CFAARO O=C(c1cccc(F)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058324059 373644602 /nfs/dbraw/zinc/64/46/02/373644602.db2.gz GGLLIVNSTXGPEX-HNNXBMFYSA-N 1 0 276.355 2.526 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cc(F)ccc1F ZINC000058332937 373645959 /nfs/dbraw/zinc/64/59/59/373645959.db2.gz MJPKJVHVDUNVJQ-MNOVXSKESA-N 1 0 292.333 2.554 50 0 CFAARO CCCCOc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000065501298 373880424 /nfs/dbraw/zinc/88/04/24/373880424.db2.gz IFFDVEPUVRUQDV-HNNXBMFYSA-N 1 0 271.364 2.824 50 0 CFAARO CCc1c(C)sc2ncnc(NC3CC[NH2+]CC3)c12 ZINC000065526766 373881304 /nfs/dbraw/zinc/88/13/04/373881304.db2.gz MBYHIQUGWMSMJV-UHFFFAOYSA-N 1 0 276.409 2.726 50 0 CFAARO COC[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000065525545 373882627 /nfs/dbraw/zinc/88/26/27/373882627.db2.gz MCKPFAGODNDEGW-NSHDSACASA-N 1 0 291.370 2.753 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]C1(c2ccccc2)CCC1 ZINC000065519782 373882674 /nfs/dbraw/zinc/88/26/74/373882674.db2.gz GBCVUSXPWXDPPV-UHFFFAOYSA-N 1 0 298.434 2.964 50 0 CFAARO CC[C@H](C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000065517418 373882739 /nfs/dbraw/zinc/88/27/39/373882739.db2.gz OWOJGFNOMYYRSV-ZDUSSCGKSA-N 1 0 262.397 2.801 50 0 CFAARO Cc1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)on1 ZINC000065140735 373846977 /nfs/dbraw/zinc/84/69/77/373846977.db2.gz HKBDFWLQPHQUKP-HIFRSBDPSA-N 1 0 299.374 2.548 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000065286725 373852214 /nfs/dbraw/zinc/85/22/14/373852214.db2.gz XXADNADAXORJRI-ZDUSSCGKSA-N 1 0 286.379 2.963 50 0 CFAARO Cc1nc(C)n(CCC[NH2+][C@H](C)CCc2ccccc2)n1 ZINC000065372773 373858824 /nfs/dbraw/zinc/85/88/24/373858824.db2.gz VUAWZRSXCLHNLL-CQSZACIVSA-N 1 0 286.423 2.896 50 0 CFAARO O=C(C[NH2+]CC1CCCCC1)NCc1ccccc1F ZINC000065372327 373859376 /nfs/dbraw/zinc/85/93/76/373859376.db2.gz RRMMWNDGJAVUEM-UHFFFAOYSA-N 1 0 278.371 2.612 50 0 CFAARO Cc1nc([C@H]2CCC[N@@H+](C)C2)n(-c2cccc(F)c2)n1 ZINC000065380709 373861876 /nfs/dbraw/zinc/86/18/76/373861876.db2.gz STNLELBYSAKUSD-LBPRGKRZSA-N 1 0 274.343 2.524 50 0 CFAARO Cc1ccsc1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000065466909 373875797 /nfs/dbraw/zinc/87/57/97/373875797.db2.gz XMRZOCJAIOBCOM-AWEZNQCLSA-N 1 0 294.464 2.980 50 0 CFAARO CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000066971537 373964220 /nfs/dbraw/zinc/96/42/20/373964220.db2.gz URRYEGQPUTVRLC-UHFFFAOYSA-N 1 0 264.369 2.520 50 0 CFAARO C[N@@H+]1CCC[C@@H](c2nncn2-c2ccccc2Cl)C1 ZINC000067741779 373997342 /nfs/dbraw/zinc/99/73/42/373997342.db2.gz XIMDBASYKJBACP-LLVKDONJSA-N 1 0 276.771 2.730 50 0 CFAARO CC[N@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@H]1CCOC1 ZINC000067787157 374001346 /nfs/dbraw/zinc/00/13/46/374001346.db2.gz GNERJNYQJIQYDE-GFCCVEGCSA-N 1 0 291.370 2.603 50 0 CFAARO Cc1ccccc1CSCCN[C@H]1CCC[NH2+]C1 ZINC000067817393 374004893 /nfs/dbraw/zinc/00/48/93/374004893.db2.gz LZLYOICKMKAPCO-HNNXBMFYSA-N 1 0 264.438 2.570 50 0 CFAARO COc1cccc(-c2c[nH]nc2C2CC[NH2+]CC2)c1 ZINC000067818593 374006534 /nfs/dbraw/zinc/00/65/34/374006534.db2.gz NBOMJVTUDKWLNM-UHFFFAOYSA-N 1 0 257.337 2.552 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]CCNc1cccnc1)CC2 ZINC000067880050 374013144 /nfs/dbraw/zinc/01/31/44/374013144.db2.gz ZFGWKXLKKHYKTE-MRXNPFEDSA-N 1 0 297.402 2.649 50 0 CFAARO CSC[C@@H](C)[NH2+]CCCc1nc2cc(F)ccc2[nH]1 ZINC000067909047 374015881 /nfs/dbraw/zinc/01/58/81/374015881.db2.gz DIXQPSYLPCASQT-SNVBAGLBSA-N 1 0 281.400 2.976 50 0 CFAARO CCc1csc(C[NH2+][C@@H](C)CC(C)(C)OC)n1 ZINC000067947830 374017254 /nfs/dbraw/zinc/01/72/54/374017254.db2.gz RRCVWOXFFXVCAA-JTQLQIEISA-N 1 0 256.415 2.999 50 0 CFAARO CCCc1cnc(C)nc1-c1cc(C)cc2c1O[C@H](C[NH3+])C2 ZINC000067947749 374017550 /nfs/dbraw/zinc/01/75/50/374017550.db2.gz JXQADTQEUZIBIO-HNNXBMFYSA-N 1 0 297.402 2.975 50 0 CFAARO C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)c2ccccc2)C1 ZINC000067435199 373978879 /nfs/dbraw/zinc/97/88/79/373978879.db2.gz FOKWVTLCHXKNQQ-OAHLLOKOSA-N 1 0 288.435 2.812 50 0 CFAARO CC(C)c1nc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cs1 ZINC000067490389 373981211 /nfs/dbraw/zinc/98/12/11/373981211.db2.gz SPVWAJFIBDAIPM-LBPRGKRZSA-N 1 0 295.452 2.728 50 0 CFAARO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000067654190 373989934 /nfs/dbraw/zinc/98/99/34/373989934.db2.gz QGQOYLSKUNZKGO-OAHLLOKOSA-N 1 0 281.783 2.815 50 0 CFAARO [NH3+]C[C@H]1Cc2cccc(-c3ncccc3Cl)c2O1 ZINC000067688478 373992096 /nfs/dbraw/zinc/99/20/96/373992096.db2.gz PXDQAIUVXXXFPY-SNVBAGLBSA-N 1 0 260.724 2.664 50 0 CFAARO CC[NH+](CC)CCn1cc(NC(=O)[C@@H]2CC=CCC2)cn1 ZINC000069596411 374077935 /nfs/dbraw/zinc/07/79/35/374077935.db2.gz HNYLRVRLAKXMRE-CQSZACIVSA-N 1 0 290.411 2.520 50 0 CFAARO C([C@@H]1CCCCO1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000069655725 374083583 /nfs/dbraw/zinc/08/35/83/374083583.db2.gz RMDOAPZLYOTABJ-IRXDYDNUSA-N 1 0 280.456 2.896 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(Cl)o1)[C@H](C)n1cccn1 ZINC000069368488 374055506 /nfs/dbraw/zinc/05/55/06/374055506.db2.gz ZPGCXGQWLOPAPB-UWVGGRQHSA-N 1 0 253.733 2.869 50 0 CFAARO CSc1ccc(C)c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000069416533 374059633 /nfs/dbraw/zinc/05/96/33/374059633.db2.gz HWLGONMWWPLBNJ-UHFFFAOYSA-N 1 0 292.448 2.933 50 0 CFAARO CCC[NH+](CCC)CC(=O)N[C@H](C)c1ccco1 ZINC000069439262 374063469 /nfs/dbraw/zinc/06/34/69/374063469.db2.gz ZFUDIHUMQWGXRU-GFCCVEGCSA-N 1 0 252.358 2.579 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2csc(C)n2)c1 ZINC000069560277 374074245 /nfs/dbraw/zinc/07/42/45/374074245.db2.gz FUHAIOKKQOZGKK-MNOVXSKESA-N 1 0 264.398 2.696 50 0 CFAARO Cc1cccc2nc(C[N@@H+]3CCC[C@@H]3Cn3cccn3)cn21 ZINC000069653635 374083164 /nfs/dbraw/zinc/08/31/64/374083164.db2.gz FFROQXMYIAJEJK-MRXNPFEDSA-N 1 0 295.390 2.504 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CCc2ccncc2)n1 ZINC000069920704 374110121 /nfs/dbraw/zinc/11/01/21/374110121.db2.gz WJZMXNMLQARXMN-KRWDZBQOSA-N 1 0 284.407 2.602 50 0 CFAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000069949412 374111353 /nfs/dbraw/zinc/11/13/53/374111353.db2.gz VIQGEPDFWXWTDW-OAHLLOKOSA-N 1 0 289.354 2.695 50 0 CFAARO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069929882 374112572 /nfs/dbraw/zinc/11/25/72/374112572.db2.gz BJSMNHLRNRSLEO-NVXWUHKLSA-N 1 0 284.407 2.764 50 0 CFAARO CSc1ccc(C)c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000070005272 374115141 /nfs/dbraw/zinc/11/51/41/374115141.db2.gz VJTYOOVKYQUYEF-CYBMUJFWSA-N 1 0 292.448 2.883 50 0 CFAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000070020984 374117518 /nfs/dbraw/zinc/11/75/18/374117518.db2.gz PIPWJUQTLLYDKF-IOMDMTNGSA-N 1 0 282.391 2.704 50 0 CFAARO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000070148934 374130206 /nfs/dbraw/zinc/13/02/06/374130206.db2.gz QRJNWSYUQUADCZ-MRVPVSSYSA-N 1 0 290.194 2.665 50 0 CFAARO c1ccc2nc(C[N@@H+]3CCCC[C@H]3C3OCCO3)ccc2c1 ZINC000069669705 374085929 /nfs/dbraw/zinc/08/59/29/374085929.db2.gz MWLLYFKNYZPCRQ-KRWDZBQOSA-N 1 0 298.386 2.962 50 0 CFAARO CCC(CC)NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701449 374087573 /nfs/dbraw/zinc/08/75/73/374087573.db2.gz LVBOKVLJGORWTE-HNNXBMFYSA-N 1 0 274.408 2.781 50 0 CFAARO C[N@@H+]1CC[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000069738410 374091365 /nfs/dbraw/zinc/09/13/65/374091365.db2.gz IADSQAKOTPHBKK-MRXNPFEDSA-N 1 0 298.386 2.760 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000069742466 374093006 /nfs/dbraw/zinc/09/30/06/374093006.db2.gz JEBAJKCGJLBGLD-SFHVURJKSA-N 1 0 298.434 2.992 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000069810233 374100857 /nfs/dbraw/zinc/10/08/57/374100857.db2.gz CAXCGZZLOZDYGO-SWLSCSKDSA-N 1 0 293.798 2.557 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000069810231 374101056 /nfs/dbraw/zinc/10/10/56/374101056.db2.gz CAXCGZZLOZDYGO-WFASDCNBSA-N 1 0 293.798 2.557 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000070172208 374137594 /nfs/dbraw/zinc/13/75/94/374137594.db2.gz LQXMNYQSVQNRKF-HTQZYQBOSA-N 1 0 290.194 2.521 50 0 CFAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070172579 374138060 /nfs/dbraw/zinc/13/80/60/374138060.db2.gz RNFGUROOHBMMGJ-WDEREUQCSA-N 1 0 296.798 2.548 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070173116 374138972 /nfs/dbraw/zinc/13/89/72/374138972.db2.gz XLDDLBFCFXENOI-JQWIXIFHSA-N 1 0 266.410 2.510 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1C ZINC000070173339 374140043 /nfs/dbraw/zinc/14/00/43/374140043.db2.gz PSKRVMRKJQQWGT-ZIAGYGMSSA-N 1 0 260.381 2.503 50 0 CFAARO CCCCCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000070254062 374156550 /nfs/dbraw/zinc/15/65/50/374156550.db2.gz DTFNKUVEABUYSB-AWEZNQCLSA-N 1 0 266.429 2.803 50 0 CFAARO Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000070603195 374199690 /nfs/dbraw/zinc/19/96/90/374199690.db2.gz VKBGYXVUWLHMFN-ZBFHGGJFSA-N 1 0 274.408 2.779 50 0 CFAARO O=C1OCCN1CC[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000071915032 374231628 /nfs/dbraw/zinc/23/16/28/374231628.db2.gz LBRUVZIIANTLCC-ZDUSSCGKSA-N 1 0 278.352 2.649 50 0 CFAARO C[N@@H+](Cc1ccoc1)C[C@H]1CC[C@@H](Cc2cccnc2)O1 ZINC000072472901 374255005 /nfs/dbraw/zinc/25/50/05/374255005.db2.gz KBXBCGBAQBQHAD-DLBZAZTESA-N 1 0 286.375 2.897 50 0 CFAARO CC[C@](C)([NH2+]CCN1CCCCC1)c1nccs1 ZINC000072684961 374276217 /nfs/dbraw/zinc/27/62/17/374276217.db2.gz KRJMFBPHUWSJSW-AWEZNQCLSA-N 1 0 267.442 2.844 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)o1 ZINC000072300520 374243359 /nfs/dbraw/zinc/24/33/59/374243359.db2.gz GLXCJJLWZCLTEC-IUODEOHRSA-N 1 0 278.396 2.571 50 0 CFAARO C[C@@H]1C[N@@H+](CCc2ncc(-c3ccccc3)o2)C[C@H](C)O1 ZINC000072956783 374306820 /nfs/dbraw/zinc/30/68/20/374306820.db2.gz IPPPYCCABGAVGF-OKILXGFUSA-N 1 0 286.375 2.993 50 0 CFAARO COc1ccc(C(C)=O)cc1CSC(=[NH2+])N(C)C ZINC000073369490 374337877 /nfs/dbraw/zinc/33/78/77/374337877.db2.gz GCVVEKCADLGOOG-UHFFFAOYSA-N 1 0 266.366 2.627 50 0 CFAARO COc1ccccc1C[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000074333396 374416788 /nfs/dbraw/zinc/41/67/88/374416788.db2.gz VIYQSISIIMKCKW-NSHDSACASA-N 1 0 297.358 2.716 50 0 CFAARO CCCn1ccc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc21 ZINC000074807500 374440577 /nfs/dbraw/zinc/44/05/77/374440577.db2.gz DKCIDUVMUARGCZ-CQSZACIVSA-N 1 0 271.364 2.742 50 0 CFAARO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000074941762 374448745 /nfs/dbraw/zinc/44/87/45/374448745.db2.gz JOBKOZLEEYGNFR-ZDUSSCGKSA-N 1 0 287.281 2.614 50 0 CFAARO Cc1ccc(CNC(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000075108161 374458169 /nfs/dbraw/zinc/45/81/69/374458169.db2.gz WYKJSJVDKIXQCZ-CQSZACIVSA-N 1 0 274.408 2.732 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000075131868 374459626 /nfs/dbraw/zinc/45/96/26/374459626.db2.gz YOUSWEFISQGCST-QGZVFWFLSA-N 1 0 284.407 2.950 50 0 CFAARO COc1ccc(CC[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000075118807 374459749 /nfs/dbraw/zinc/45/97/49/374459749.db2.gz SGNCLPWYVXMWAZ-INIZCTEOSA-N 1 0 299.418 2.851 50 0 CFAARO CCCOc1ccc(-c2cn(O)c3c([n+]2=O)CCC3)cc1 ZINC000334157389 206121390 /nfs/dbraw/zinc/12/13/90/206121390.db2.gz HEZGLNZLJYZCHN-UHFFFAOYSA-N 1 0 287.339 2.584 50 0 CFAARO C[NH+](C)[C@H]1CCCN(Cc2c(F)cccc2Cl)C1=O ZINC000075876399 374508366 /nfs/dbraw/zinc/50/83/66/374508366.db2.gz JDWCWJIPBYZNJV-ZDUSSCGKSA-N 1 0 284.762 2.532 50 0 CFAARO C[C@@H]1C[C@H]([N@@H+]2CC[C@H](CSc3ccccc3)C2)C(=O)O1 ZINC000075965025 374515076 /nfs/dbraw/zinc/51/50/76/374515076.db2.gz OKRJPCYAESQDOJ-IPYPFGDCSA-N 1 0 291.416 2.805 50 0 CFAARO Cc1ncnc(N2CCC(C[NH+]3CCCCC3)CC2)c1C ZINC000077485885 374563790 /nfs/dbraw/zinc/56/37/90/374563790.db2.gz KTXPZGLFAGLGGH-UHFFFAOYSA-N 1 0 288.439 2.796 50 0 CFAARO Cc1cnc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)cn1 ZINC000079014150 374582463 /nfs/dbraw/zinc/58/24/63/374582463.db2.gz YIMYFPIOJOCEGQ-SFHVURJKSA-N 1 0 296.418 2.886 50 0 CFAARO COc1ccc([C@H](CO)[N@H+](C)Cc2ccccc2)cc1 ZINC000079091219 374594501 /nfs/dbraw/zinc/59/45/01/374594501.db2.gz WXAJABABIRSYGO-KRWDZBQOSA-N 1 0 271.360 2.861 50 0 CFAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C ZINC000079020786 374583559 /nfs/dbraw/zinc/58/35/59/374583559.db2.gz LUCDZCLMWZIEDF-RYUDHWBXSA-N 1 0 253.415 2.574 50 0 CFAARO Cc1cc(NC(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)no1 ZINC000082039509 374724673 /nfs/dbraw/zinc/72/46/73/374724673.db2.gz FMQUCUGZNRAOOQ-VIFPVBQESA-N 1 0 277.349 2.721 50 0 CFAARO c1coc(CCC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000082121851 374726078 /nfs/dbraw/zinc/72/60/78/374726078.db2.gz VJCQNSOSWGDAOW-AWEZNQCLSA-N 1 0 279.380 2.530 50 0 CFAARO CC[C@@H]1C[N@H+](CCn2cncn2)CC[C@@H]1c1ccccc1 ZINC000084736442 374789748 /nfs/dbraw/zinc/78/97/48/374789748.db2.gz LZQBVWKWBCVNTA-WBVHZDCISA-N 1 0 284.407 2.794 50 0 CFAARO C[N@@H+](Cc1ccccc1)Cn1c2ccccc2nc1CO ZINC000089361426 374896561 /nfs/dbraw/zinc/89/65/61/374896561.db2.gz XKFPLQHXZHVVAY-UHFFFAOYSA-N 1 0 281.359 2.618 50 0 CFAARO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ncc[nH]1 ZINC000089930202 374970548 /nfs/dbraw/zinc/97/05/48/374970548.db2.gz SXFNDTUCIGICGY-GJZGRUSLSA-N 1 0 298.434 2.656 50 0 CFAARO O=C(C[NH2+]Cc1cccs1)N1CCCc2ccccc21 ZINC000089858431 374960976 /nfs/dbraw/zinc/96/09/76/374960976.db2.gz NVMXQTAENGSBPP-UHFFFAOYSA-N 1 0 286.400 2.817 50 0 CFAARO C[C@H](Cc1ccccc1Br)[NH2+]Cc1ncc[nH]1 ZINC000089904211 374966542 /nfs/dbraw/zinc/96/65/42/374966542.db2.gz KKVMRXYIGASTNN-SNVBAGLBSA-N 1 0 294.196 2.893 50 0 CFAARO C[C@H]([NH2+]Cc1cnnn1C)c1cccc(C(F)(F)F)c1 ZINC000089905165 374966562 /nfs/dbraw/zinc/96/65/62/374966562.db2.gz KAMUHADQXZJYJJ-VIFPVBQESA-N 1 0 284.285 2.685 50 0 CFAARO COC[C@](C)(CCO)[NH2+]Cc1cc2ccccc2s1 ZINC000089895566 374967408 /nfs/dbraw/zinc/96/74/08/374967408.db2.gz IOMIRKUFACBENC-HNNXBMFYSA-N 1 0 279.405 2.778 50 0 CFAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000089948957 374975192 /nfs/dbraw/zinc/97/51/92/374975192.db2.gz PQCOJTULFLTGJK-YPMHNXCESA-N 1 0 284.787 2.670 50 0 CFAARO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000090087666 374989524 /nfs/dbraw/zinc/98/95/24/374989524.db2.gz GWOLZRWJVPEXQP-NEPJUHHUSA-N 1 0 279.380 2.863 50 0 CFAARO c1ccc2c(c1)CC[C@H]([NH2+]CCCOC1CCOCC1)C2 ZINC000090083138 374989734 /nfs/dbraw/zinc/98/97/34/374989734.db2.gz VHVXIITZLKTUIU-KRWDZBQOSA-N 1 0 289.419 2.719 50 0 CFAARO O=C1C[C@@H]([NH2+][C@@H]2CCSc3ccccc32)CN1C1CC1 ZINC000090180757 374998605 /nfs/dbraw/zinc/99/86/05/374998605.db2.gz NWUNADGWSZURSJ-BXUZGUMPSA-N 1 0 288.416 2.576 50 0 CFAARO CC(C)C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccn1 ZINC000090181882 375000474 /nfs/dbraw/zinc/00/04/74/375000474.db2.gz JOVGUURKJXVMHQ-XJKSGUPXSA-N 1 0 287.407 2.522 50 0 CFAARO Cc1ccc(O)c(C[N@@H+](C)[C@@H](CCO)c2ccccc2)n1 ZINC000093442404 375239384 /nfs/dbraw/zinc/23/93/84/375239384.db2.gz XAQKQRQJZFAHJK-INIZCTEOSA-N 1 0 286.375 2.651 50 0 CFAARO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322564 375211011 /nfs/dbraw/zinc/21/10/11/375211011.db2.gz XZSCDPMBMFSXDX-LSDHHAIUSA-N 1 0 279.428 2.764 50 0 CFAARO CCCn1c2ccccc2nc1C[N@H+](C)C[C@H]1CCOC1 ZINC000093839860 375318521 /nfs/dbraw/zinc/31/85/21/375318521.db2.gz AMBIBMSRWSXHIZ-CQSZACIVSA-N 1 0 287.407 2.915 50 0 CFAARO C[N@@H+](Cc1c(F)cccc1N1CCCC1)C[C@@H]1CCOC1 ZINC000093840394 375321158 /nfs/dbraw/zinc/32/11/58/375321158.db2.gz OSCBFSJMKVPAIL-AWEZNQCLSA-N 1 0 292.398 2.894 50 0 CFAARO COc1ccc(C[N@H+](C)C[C@H]2CCOC2)c(Cl)c1OC ZINC000093840393 375321317 /nfs/dbraw/zinc/32/13/17/375321317.db2.gz XVXZZGSGJDRYEP-LLVKDONJSA-N 1 0 299.798 2.826 50 0 CFAARO C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000094571925 375366772 /nfs/dbraw/zinc/36/67/72/375366772.db2.gz BPUIAXVVIDKJGS-LLVKDONJSA-N 1 0 270.332 2.577 50 0 CFAARO Cn1cc(CC[N@H+](C)C[C@H]2CCOc3ccccc3C2)cn1 ZINC000095499170 375461444 /nfs/dbraw/zinc/46/14/44/375461444.db2.gz CNWUYJRDXZWHMT-HNNXBMFYSA-N 1 0 299.418 2.536 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](Cn2ccc3ccccc3c2=O)C1 ZINC000095361529 375419615 /nfs/dbraw/zinc/41/96/15/375419615.db2.gz KMXNKNDHTJTGEH-AWEZNQCLSA-N 1 0 270.376 2.732 50 0 CFAARO C[C@H](NC(=O)CCC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000095360537 375419829 /nfs/dbraw/zinc/41/98/29/375419829.db2.gz VNOZYQDZHOZAIS-AWEZNQCLSA-N 1 0 290.407 2.836 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1Cc2ccccc2C1 ZINC000095367460 375421192 /nfs/dbraw/zinc/42/11/92/375421192.db2.gz IZRRRNDFMCXVOT-MRXNPFEDSA-N 1 0 272.392 2.793 50 0 CFAARO C[C@H](Cc1cn(CC2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000095368616 375423670 /nfs/dbraw/zinc/42/36/70/375423670.db2.gz CTZGTTJDUQUPIH-CQSZACIVSA-N 1 0 284.407 2.624 50 0 CFAARO C[C@H](c1ccc(-c2ccc(=O)n(C)n2)cc1)[NH+]1CCCCC1 ZINC000096153514 375470301 /nfs/dbraw/zinc/47/03/01/375470301.db2.gz QSBNDCDNLQNJCY-CQSZACIVSA-N 1 0 297.402 2.994 50 0 CFAARO CC(C)c1ccnc(NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000095376288 375424816 /nfs/dbraw/zinc/42/48/16/375424816.db2.gz PVGAVYGMFVZBPH-CYBMUJFWSA-N 1 0 274.368 2.908 50 0 CFAARO Cc1ccnc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000095379544 375425354 /nfs/dbraw/zinc/42/53/54/375425354.db2.gz LROQWWVHGZZQMA-AWEZNQCLSA-N 1 0 274.412 2.852 50 0 CFAARO Cc1cc(=O)c2ccccc2n1C[C@@H]1CCC[N@@H+](C)C1 ZINC000095375879 375425827 /nfs/dbraw/zinc/42/58/27/375425827.db2.gz POBBLMCKHYOUPP-CQSZACIVSA-N 1 0 270.376 2.652 50 0 CFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(C)c1)C2 ZINC000095385283 375426724 /nfs/dbraw/zinc/42/67/24/375426724.db2.gz HUIQYSNBFCDKAG-NVXWUHKLSA-N 1 0 286.419 2.941 50 0 CFAARO CCCCc1c(C)[nH+]c(N)nc1NCCc1cscn1 ZINC000095384864 375427149 /nfs/dbraw/zinc/42/71/49/375427149.db2.gz HAGXSKQZAFPEQW-UHFFFAOYSA-N 1 0 291.424 2.821 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc(F)cc1 ZINC000095383658 375427311 /nfs/dbraw/zinc/42/73/11/375427311.db2.gz YDKDZVNTIFLHQY-INIZCTEOSA-N 1 0 292.398 2.749 50 0 CFAARO C[C@@H]([NH2+]CCOc1cccc(F)c1)c1ccncc1 ZINC000095404397 375433097 /nfs/dbraw/zinc/43/30/97/375433097.db2.gz WXRMOMNQAIOMMU-GFCCVEGCSA-N 1 0 260.312 2.950 50 0 CFAARO C[C@H]([NH2+]CCOc1cccc(F)c1)c1ccncc1 ZINC000095404396 375433143 /nfs/dbraw/zinc/43/31/43/375433143.db2.gz WXRMOMNQAIOMMU-LBPRGKRZSA-N 1 0 260.312 2.950 50 0 CFAARO c1cnn(CCC[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000095419837 375440783 /nfs/dbraw/zinc/44/07/83/375440783.db2.gz VPKXUJYOMSRVJI-INIZCTEOSA-N 1 0 287.432 2.893 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)c2)cc1F ZINC000095421665 375440907 /nfs/dbraw/zinc/44/09/07/375440907.db2.gz RBLJLYUXADLZSC-GFCCVEGCSA-N 1 0 291.370 2.851 50 0 CFAARO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2ccccc2)C(C)(C)O1 ZINC000095421099 375441396 /nfs/dbraw/zinc/44/13/96/375441396.db2.gz METDYQIBBCFFCF-CYBMUJFWSA-N 1 0 276.380 2.561 50 0 CFAARO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000095422859 375442779 /nfs/dbraw/zinc/44/27/79/375442779.db2.gz KOMFJWQWZIWNMK-CMPLNLGQSA-N 1 0 296.798 2.620 50 0 CFAARO CCN(CC)C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccccc1 ZINC000095431671 375446778 /nfs/dbraw/zinc/44/67/78/375446778.db2.gz XBGBABYWGPVGGP-PVAVHDDUSA-N 1 0 276.424 2.837 50 0 CFAARO COCCN(C)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000095435231 375448146 /nfs/dbraw/zinc/44/81/46/375448146.db2.gz SHMJXYAHWJZOEJ-KRWDZBQOSA-N 1 0 290.451 2.868 50 0 CFAARO COc1cc(C[NH2+]C[C@@H]2CSCCS2)ccc1F ZINC000095437403 375449478 /nfs/dbraw/zinc/44/94/78/375449478.db2.gz GDNDOKQXUPUKJB-LLVKDONJSA-N 1 0 287.425 2.773 50 0 CFAARO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cscn1 ZINC000095448912 375453254 /nfs/dbraw/zinc/45/32/54/375453254.db2.gz OILBUJGMFYPHLY-KOLCDFICSA-N 1 0 268.407 2.806 50 0 CFAARO CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1OC ZINC000095455549 375454800 /nfs/dbraw/zinc/45/48/00/375454800.db2.gz TVOJGFLZPQZDPO-OCCSQVGLSA-N 1 0 279.380 2.751 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)CCOCC1 ZINC000097146732 375531704 /nfs/dbraw/zinc/53/17/04/375531704.db2.gz UHBHLUOGFRGUDA-MELADBBJSA-N 1 0 255.402 2.596 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000097159439 375533192 /nfs/dbraw/zinc/53/31/92/375533192.db2.gz YWBDYNAYQBJRMT-AWEZNQCLSA-N 1 0 279.771 2.503 50 0 CFAARO CCCCOc1ccccc1C[NH+]1CCC(O)CC1 ZINC000097162160 375534049 /nfs/dbraw/zinc/53/40/49/375534049.db2.gz GCKFICXVQKWGSU-UHFFFAOYSA-N 1 0 263.381 2.822 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000097159518 375534085 /nfs/dbraw/zinc/53/40/85/375534085.db2.gz PRLGYNJKGWYGOY-AWEZNQCLSA-N 1 0 291.370 2.670 50 0 CFAARO Cc1ncc(C[NH+]2CCC(c3cnn(C)c3)CC2)s1 ZINC000097203245 375538976 /nfs/dbraw/zinc/53/89/76/375538976.db2.gz XQYVOBWARMHUMF-UHFFFAOYSA-N 1 0 276.409 2.565 50 0 CFAARO O=C(/C=C\c1cccc(Cl)c1)NCC[NH+]1CCCCC1 ZINC000096401597 375485376 /nfs/dbraw/zinc/48/53/76/375485376.db2.gz DJKYTDSVXIEYFI-FPLPWBNLSA-N 1 0 292.810 2.955 50 0 CFAARO C[C@H]([NH2+]CCSCC(C)(C)O)c1cccs1 ZINC000096477821 375489042 /nfs/dbraw/zinc/48/90/42/375489042.db2.gz XKEZMCXYSPFLQI-JTQLQIEISA-N 1 0 259.440 2.903 50 0 CFAARO COc1ccc([C@@H](C)[NH2+][C@@]2(C)CCOC2)cc1F ZINC000097038524 375498832 /nfs/dbraw/zinc/49/88/32/375498832.db2.gz JJVMFXMYFLMOHP-YGRLFVJLSA-N 1 0 253.317 2.664 50 0 CFAARO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000097045783 375499594 /nfs/dbraw/zinc/49/95/94/375499594.db2.gz WHVVKDCXCLTFGU-PBHICJAKSA-N 1 0 291.366 2.899 50 0 CFAARO Cc1nc(C)c(C[N@H+](C)CCc2ccncc2)s1 ZINC000097235629 375544076 /nfs/dbraw/zinc/54/40/76/375544076.db2.gz CVFLBQWHGDMYFY-UHFFFAOYSA-N 1 0 261.394 2.829 50 0 CFAARO CC(C)[C@H]([NH3+])C(=O)N1CCC(C)(c2ccccc2)CC1 ZINC000097234133 375544292 /nfs/dbraw/zinc/54/42/92/375544292.db2.gz ZYKVGHZLQMYZLG-HNNXBMFYSA-N 1 0 274.408 2.550 50 0 CFAARO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000097099903 375516618 /nfs/dbraw/zinc/51/66/18/375516618.db2.gz MDSXHARRCOKSDR-ZDUSSCGKSA-N 1 0 261.369 2.579 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000097101251 375517986 /nfs/dbraw/zinc/51/79/86/375517986.db2.gz KIYZBSIFXLCOIH-CVEARBPZSA-N 1 0 279.424 2.860 50 0 CFAARO Cc1nnc(C[NH2+]C(C2CCCC2)C2CCCC2)n1C ZINC000097109826 375521640 /nfs/dbraw/zinc/52/16/40/375521640.db2.gz METGIZBZXLUFMO-UHFFFAOYSA-N 1 0 276.428 2.962 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)NCc2cccnc2)[C@H](C)C1 ZINC000097108745 375522025 /nfs/dbraw/zinc/52/20/25/375522025.db2.gz SUFFHPQTUQEWLS-IIAWOOMASA-N 1 0 289.423 2.502 50 0 CFAARO CCCOc1ccc(C[NH2+]Cc2c[nH]nc2C)cc1OC ZINC000097139850 375527338 /nfs/dbraw/zinc/52/73/38/375527338.db2.gz AXSZXPWXCICPAS-UHFFFAOYSA-N 1 0 289.379 2.805 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCCCC2 ZINC000097370967 375551620 /nfs/dbraw/zinc/55/16/20/375551620.db2.gz BAMMSXSUBCJYTG-FZKCQIBNSA-N 1 0 279.424 2.641 50 0 CFAARO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccnc2)n1 ZINC000097375297 375553839 /nfs/dbraw/zinc/55/38/39/375553839.db2.gz XYXPHUUDZGWKIF-GFCCVEGCSA-N 1 0 257.337 2.684 50 0 CFAARO CN(CCC[NH+](C)C)C(=O)NCc1ccc2ccccc2c1 ZINC000097375946 375555712 /nfs/dbraw/zinc/55/57/12/375555712.db2.gz CZQPLEAELYMUQL-UHFFFAOYSA-N 1 0 299.418 2.933 50 0 CFAARO Cc1ccsc1C[NH2+]CCC(=O)NC1CCCCC1 ZINC000097503693 375566434 /nfs/dbraw/zinc/56/64/34/375566434.db2.gz QYUFEZGAEHQNRY-UHFFFAOYSA-N 1 0 280.437 2.985 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000097578661 375568566 /nfs/dbraw/zinc/56/85/66/375568566.db2.gz DLICXYKBBMAWGX-CYBMUJFWSA-N 1 0 298.789 2.970 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000097632176 375575295 /nfs/dbraw/zinc/57/52/95/375575295.db2.gz WTNMVVLCRUADJR-YOEHRIQHSA-N 1 0 293.382 2.961 50 0 CFAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1F ZINC000097674451 375577384 /nfs/dbraw/zinc/57/73/84/375577384.db2.gz VHKLTFRWXDCWDQ-ZDUSSCGKSA-N 1 0 267.344 2.835 50 0 CFAARO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000101138708 375633725 /nfs/dbraw/zinc/63/37/25/375633725.db2.gz PIPWJUQTLLYDKF-LYLYKKCESA-N 1 0 282.391 2.704 50 0 CFAARO Cc1ccccc1[C@@H]1CN(Cc2ccno2)[C@@H](C)CO1 ZINC000257365162 190038074 /nfs/dbraw/zinc/03/80/74/190038074.db2.gz NRQBVKBSCOQSOE-BBRMVZONSA-N 1 0 272.348 2.945 50 0 CFAARO C/C(=C/C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000132506875 377848100 /nfs/dbraw/zinc/84/81/00/377848100.db2.gz RWGJCIALKQDIJZ-PGJNLMOESA-N 1 0 298.308 2.668 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 ZINC000133948832 377969584 /nfs/dbraw/zinc/96/95/84/377969584.db2.gz ADTVQPRZZKRQCB-OAHLLOKOSA-N 1 0 297.402 2.676 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1(N(C)C)CCOCC1 ZINC000152582283 378430829 /nfs/dbraw/zinc/43/08/29/378430829.db2.gz JQXGZUNGYXCGGB-HZPDHXFCSA-N 1 0 280.456 2.679 50 0 CFAARO CC[N@H+](CCNC(=O)c1occc1C)CCC(F)(F)F ZINC000170612930 379128566 /nfs/dbraw/zinc/12/85/66/379128566.db2.gz HLSBUINUOCEMDA-UHFFFAOYSA-N 1 0 292.301 2.592 50 0 CFAARO Cc1nc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2o1 ZINC000170615752 379130730 /nfs/dbraw/zinc/13/07/30/379130730.db2.gz MOYJWXVEFCXXTK-UHFFFAOYSA-N 1 0 299.374 2.949 50 0 CFAARO CCc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)sc1C ZINC000335369609 379175076 /nfs/dbraw/zinc/17/50/76/379175076.db2.gz DANSFLODBXBXOK-JQWIXIFHSA-N 1 0 252.383 2.550 50 0 CFAARO CC(C)[C@H](C(=O)NCc1cccc(O)c1)[NH+]1CCCCC1 ZINC000172204643 379516077 /nfs/dbraw/zinc/51/60/77/379516077.db2.gz IHVVUJFDTFLKJD-MRXNPFEDSA-N 1 0 290.407 2.519 50 0 CFAARO Cc1cnc([C@@H](C)N2CCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000336532293 380425243 /nfs/dbraw/zinc/42/52/43/380425243.db2.gz XYZQWSGZCAJIMY-ZIAGYGMSSA-N 1 0 263.385 2.604 50 0 CFAARO C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccccc1N(C)C ZINC000179417032 380541069 /nfs/dbraw/zinc/54/10/69/380541069.db2.gz CFVJPYHZTINFEI-KFWWJZLASA-N 1 0 276.424 2.954 50 0 CFAARO COCCC[NH+]1CCC(Oc2cncc(Cl)c2)CC1 ZINC000408519022 380935781 /nfs/dbraw/zinc/93/57/81/380935781.db2.gz SRFIGIWSCMCPQA-UHFFFAOYSA-N 1 0 284.787 2.615 50 0 CFAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1cccc(F)c1 ZINC000408519153 380936271 /nfs/dbraw/zinc/93/62/71/380936271.db2.gz ICYMEUNLTNCLOL-JMSVASOKSA-N 1 0 278.371 2.658 50 0 CFAARO CC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000000176631 169564897 /nfs/dbraw/zinc/56/48/97/169564897.db2.gz DWLYXGSRPKRDKD-UHFFFAOYSA-N 1 0 264.344 2.886 50 0 CFAARO CC(C)[N@@H+]1CCCN(CC[C@H](O)c2ccccc2)CC1 ZINC000290395554 381413493 /nfs/dbraw/zinc/41/34/93/381413493.db2.gz SPTMPKYHHIMRPQ-KRWDZBQOSA-N 1 0 276.424 2.526 50 0 CFAARO Cc1cc(N2CCC([NH2+][C@@H]3CCC3(C)C)CC2)nc(C)n1 ZINC000342700468 381488086 /nfs/dbraw/zinc/48/80/86/381488086.db2.gz QVPBGRYAPBIRAS-OAHLLOKOSA-N 1 0 288.439 2.840 50 0 CFAARO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2OC)cc1 ZINC000000292701 169599271 /nfs/dbraw/zinc/59/92/71/169599271.db2.gz KGOUXTPCLRWHSH-HOTGVXAUSA-N 1 0 263.381 2.785 50 0 CFAARO CO[C@@H](C)C[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000348834889 381729959 /nfs/dbraw/zinc/72/99/59/381729959.db2.gz RKMXTKGQZPSXJD-LBPRGKRZSA-N 1 0 263.381 2.867 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]CCc1nc2ccccc2s1 ZINC000348890208 381756018 /nfs/dbraw/zinc/75/60/18/381756018.db2.gz DKWILILGXDCXOE-GFCCVEGCSA-N 1 0 286.404 2.714 50 0 CFAARO CC(C)Oc1ccc(NC(=O)NCC[NH+](C)C)c(Cl)c1 ZINC000187222210 382133756 /nfs/dbraw/zinc/13/37/56/382133756.db2.gz NDCFKNJLCXJNDH-UHFFFAOYSA-N 1 0 299.802 2.810 50 0 CFAARO O[C@H](C[NH2+]C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000037893120 184543663 /nfs/dbraw/zinc/54/36/63/184543663.db2.gz XNQQVPZWSYTJSR-CYBMUJFWSA-N 1 0 289.297 2.507 50 0 CFAARO Cc1cc(C[NH3+])cc(NC(=O)CC[C@H]2CCCCO2)c1 ZINC000322845358 382541511 /nfs/dbraw/zinc/54/15/11/382541511.db2.gz MNBAUVJQOLQKCX-OAHLLOKOSA-N 1 0 276.380 2.742 50 0 CFAARO Cn1cc(C[N@@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)cn1 ZINC000328587768 382550381 /nfs/dbraw/zinc/55/03/81/382550381.db2.gz HMUOFNAMFODDHH-KMFMINBZSA-N 1 0 289.423 2.590 50 0 CFAARO C[C@H](SCC[NH+](C)C)c1nnnn1C1CCCCC1 ZINC000189064417 382534892 /nfs/dbraw/zinc/53/48/92/382534892.db2.gz XTLCSRRLHQKJAW-NSHDSACASA-N 1 0 283.445 2.534 50 0 CFAARO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000189064874 382535504 /nfs/dbraw/zinc/53/55/04/382535504.db2.gz KKFWPVCYMJOURP-JTQLQIEISA-N 1 0 284.762 2.567 50 0 CFAARO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)C[C@H](C)O ZINC000189355744 382597737 /nfs/dbraw/zinc/59/77/37/382597737.db2.gz VRVFCZNDJXJGLV-ZJUUUORDSA-N 1 0 259.752 2.976 50 0 CFAARO FC(F)COCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000189533398 382621500 /nfs/dbraw/zinc/62/15/00/382621500.db2.gz DFNTVXLDZGQFEA-QWRGUYRKSA-N 1 0 265.369 2.628 50 0 CFAARO CSCCN(C)[C@H](C)c1nnnn1C1CCCCC1 ZINC000189563309 382624273 /nfs/dbraw/zinc/62/42/73/382624273.db2.gz IMNKOPUEIKCDAT-LLVKDONJSA-N 1 0 283.445 2.534 50 0 CFAARO Cc1csc([C@@H]2CCCN(CC[NH2+]C(C)C)C2)n1 ZINC000193432193 382719775 /nfs/dbraw/zinc/71/97/75/382719775.db2.gz HECXDGXDADKTQA-CYBMUJFWSA-N 1 0 267.442 2.629 50 0 CFAARO Cn1nccc1CSCC[N@H+](C)Cc1ccccc1 ZINC000193615055 382721378 /nfs/dbraw/zinc/72/13/78/382721378.db2.gz SMNSIKQCTGFXPD-UHFFFAOYSA-N 1 0 275.421 2.785 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000191050205 382689171 /nfs/dbraw/zinc/68/91/71/382689171.db2.gz OZHFYBVNJNQYPR-NUEKZKHPSA-N 1 0 297.464 2.630 50 0 CFAARO Cc1ccc(C[NH2+][C@H](C)CCS(C)(=O)=O)cc1Cl ZINC000195446124 382768400 /nfs/dbraw/zinc/76/84/00/382768400.db2.gz LAMWZWMLCRQGAJ-LLVKDONJSA-N 1 0 289.828 2.561 50 0 CFAARO [NH3+]C1(CC(=O)N2CCCC[C@H]2Cc2ccccc2)CCC1 ZINC000195543380 382769193 /nfs/dbraw/zinc/76/91/93/382769193.db2.gz YSXISMPOXSQBCF-INIZCTEOSA-N 1 0 286.419 2.882 50 0 CFAARO CC(=O)N[C@@H]1CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000215182244 382777824 /nfs/dbraw/zinc/77/78/24/382777824.db2.gz YEVQACRKHGPFLM-CYBMUJFWSA-N 1 0 274.389 2.612 50 0 CFAARO Cc1nn(C(C)C)c(C)c1C[NH+]1CCSCC1 ZINC000215166181 382778220 /nfs/dbraw/zinc/77/82/20/382778220.db2.gz PPIDUAPLYRJFSM-UHFFFAOYSA-N 1 0 253.415 2.630 50 0 CFAARO CCSc1ncc(C[N@@H+]2CCCC[C@H]2CCOC)cn1 ZINC000215518683 382778906 /nfs/dbraw/zinc/77/89/06/382778906.db2.gz IPSNKOFKEJBSJZ-AWEZNQCLSA-N 1 0 295.452 2.980 50 0 CFAARO CSCCC[N@@H+]1CC[C@@](O)(c2ccccc2C)C1 ZINC000215715324 382780209 /nfs/dbraw/zinc/78/02/09/382780209.db2.gz KBMXRINUYCCGLW-HNNXBMFYSA-N 1 0 265.422 2.641 50 0 CFAARO CC[C@@H](c1ccccn1)N(C)Cc1cnn(C)c1C ZINC000215730534 382780239 /nfs/dbraw/zinc/78/02/39/382780239.db2.gz IPYJICMZFQXSMM-HNNXBMFYSA-N 1 0 258.369 2.707 50 0 CFAARO Cc1nccn1CC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000215837172 382780946 /nfs/dbraw/zinc/78/09/46/382780946.db2.gz AGEXNNVHENSWQQ-CQSZACIVSA-N 1 0 257.381 2.927 50 0 CFAARO Cc1ccc2c(cc(CN(C)Cc3cnccn3)n2C)c1 ZINC000216195053 382782292 /nfs/dbraw/zinc/78/22/92/382782292.db2.gz DQSNMYAXAFXYMF-UHFFFAOYSA-N 1 0 280.375 2.909 50 0 CFAARO CC(C)Cc1ccc(C[N@H+](C)C[C@@H]2COCCO2)s1 ZINC000216257101 382782389 /nfs/dbraw/zinc/78/23/89/382782389.db2.gz VCQODIKTFMSTJR-CYBMUJFWSA-N 1 0 283.437 2.794 50 0 CFAARO Cc1n[nH]cc1C[N@@H+](C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000216268912 382782629 /nfs/dbraw/zinc/78/26/29/382782629.db2.gz JTQLQUOSLUMSJG-UHFFFAOYSA-N 1 0 296.374 2.500 50 0 CFAARO COc1ccc(C[N@H+](C)CCc2scnc2C)cn1 ZINC000216395139 382783170 /nfs/dbraw/zinc/78/31/70/382783170.db2.gz FNOHGERDYHXPOP-UHFFFAOYSA-N 1 0 277.393 2.530 50 0 CFAARO C[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC000221673902 382798799 /nfs/dbraw/zinc/79/87/99/382798799.db2.gz DQHSJIVPVKQOSD-STQMWFEESA-N 1 0 270.417 2.879 50 0 CFAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000221674704 382798855 /nfs/dbraw/zinc/79/88/55/382798855.db2.gz SGBFMTMLWVLWFE-MGPQQGTHSA-N 1 0 255.427 2.579 50 0 CFAARO Cc1cc(C)n(-c2cccc(C[N@@H+](C)[C@@H]3CCN(C)C3)c2)n1 ZINC000223841748 382807173 /nfs/dbraw/zinc/80/71/73/382807173.db2.gz GCAZFWWSFPTLBS-GOSISDBHSA-N 1 0 298.434 2.625 50 0 CFAARO CCS[C@@H]1CC[C@@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC000225386107 382815005 /nfs/dbraw/zinc/81/50/05/382815005.db2.gz CYOQBFYJJCAQPS-DGCLKSJQSA-N 1 0 266.410 2.854 50 0 CFAARO OC[C@@H](N[C@@H]1CCCc2c(O)cccc21)c1ccco1 ZINC000225409114 382815488 /nfs/dbraw/zinc/81/54/88/382815488.db2.gz PTENHXUVFIIBLG-ZIAGYGMSSA-N 1 0 273.332 2.686 50 0 CFAARO COc1cccc(C2CC[NH+](CC(OC)OC)CC2)c1F ZINC000225453611 382816413 /nfs/dbraw/zinc/81/64/13/382816413.db2.gz DOODMWDAUHGEKQ-UHFFFAOYSA-N 1 0 297.370 2.633 50 0 CFAARO C[C@@H](C[NH2+]CCn1cnnc1C1CC1)c1ccccc1 ZINC000225584449 382818446 /nfs/dbraw/zinc/81/84/46/382818446.db2.gz KCHIJLDZXZKIEX-ZDUSSCGKSA-N 1 0 270.380 2.549 50 0 CFAARO FCCC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000225666464 382820080 /nfs/dbraw/zinc/82/00/80/382820080.db2.gz AMELFVIJIFRYPX-UHFFFAOYSA-N 1 0 273.355 2.716 50 0 CFAARO CC(C)=CCN1CC[N@H+](C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000229375949 382851290 /nfs/dbraw/zinc/85/12/90/382851290.db2.gz CXGMBLZHGUTSOL-FUHWJXTLSA-N 1 0 288.435 2.692 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](C)c2ccc(F)cc2)C1 ZINC000230310575 382859157 /nfs/dbraw/zinc/85/91/57/382859157.db2.gz PJWBEXXTLAOJEG-ZFWWWQNUSA-N 1 0 292.398 2.729 50 0 CFAARO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000233841328 382872584 /nfs/dbraw/zinc/87/25/84/382872584.db2.gz BAALBEJWDMWAIK-KGLIPLIRSA-N 1 0 278.421 2.889 50 0 CFAARO CCc1ccc([C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C(C)(C)C)o1 ZINC000236966641 382937919 /nfs/dbraw/zinc/93/79/19/382937919.db2.gz UFCZMMMYGPFJIT-BXUZGUMPSA-N 1 0 278.396 2.655 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000237098608 382949548 /nfs/dbraw/zinc/94/95/48/382949548.db2.gz QBUWHWSGWMBYCW-AAEUAGOBSA-N 1 0 284.762 2.565 50 0 CFAARO CSCc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)ccc1F ZINC000237380945 382958532 /nfs/dbraw/zinc/95/85/32/382958532.db2.gz MJDIMJHHRRXYED-GXFFZTMASA-N 1 0 296.411 2.641 50 0 CFAARO CSCc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000237384961 382959085 /nfs/dbraw/zinc/95/90/85/382959085.db2.gz YNLKYWIBURNIOR-WFASDCNBSA-N 1 0 292.448 2.892 50 0 CFAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1cccc(F)c1 ZINC000237497005 382963042 /nfs/dbraw/zinc/96/30/42/382963042.db2.gz ICYMEUNLTNCLOL-XUJVJEKNSA-N 1 0 278.371 2.658 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)n1C1CC1 ZINC000237499866 382963415 /nfs/dbraw/zinc/96/34/15/382963415.db2.gz QHMRSKNINZPGKP-GXTWGEPZSA-N 1 0 289.423 2.639 50 0 CFAARO C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc(O)c1 ZINC000241121789 382982257 /nfs/dbraw/zinc/98/22/57/382982257.db2.gz JDWJYNDFKLZJRX-ZDUSSCGKSA-N 1 0 285.391 2.818 50 0 CFAARO Cc1ccc(NC(=O)CC[NH+]2CCSCC2)cc1F ZINC000240825163 382982860 /nfs/dbraw/zinc/98/28/60/382982860.db2.gz QNOOXLWSGZFQKU-UHFFFAOYSA-N 1 0 282.384 2.512 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)C1 ZINC000241720914 382984783 /nfs/dbraw/zinc/98/47/83/382984783.db2.gz QTIFAMBTKHANIK-GVDBMIGSSA-N 1 0 286.419 2.910 50 0 CFAARO CC[S@](=O)[C@H]1CCCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000241884863 382984789 /nfs/dbraw/zinc/98/47/89/382984789.db2.gz SYKPMURMAYLKBA-VBHSOAQHSA-N 1 0 286.466 2.621 50 0 CFAARO COc1ccnc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000242263327 382985538 /nfs/dbraw/zinc/98/55/38/382985538.db2.gz XYDZNKOYWHVPKB-GOSISDBHSA-N 1 0 297.402 2.579 50 0 CFAARO O=C(NC[C@@H]1CCCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000244659652 382989536 /nfs/dbraw/zinc/98/95/36/382989536.db2.gz HGOROKVUKAZHDS-NSHDSACASA-N 1 0 284.762 2.741 50 0 CFAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccccn1)Nc1cccnc1 ZINC000244742177 382991808 /nfs/dbraw/zinc/99/18/08/382991808.db2.gz ODCAQZWSVNKQCE-INIZCTEOSA-N 1 0 296.374 2.642 50 0 CFAARO CC[N@H+](Cc1nc2cc(C)ccc2[nH]1)[C@@H]1CCCC[C@H]1O ZINC000244716200 382991884 /nfs/dbraw/zinc/99/18/84/382991884.db2.gz LKMDFDRLGQTGPD-HZPDHXFCSA-N 1 0 287.407 2.997 50 0 CFAARO CCc1nnc(C[N@@H+]2C[C@]3(C)C[C@H]2CC(C)(C)C3)[nH]1 ZINC000244811535 382993113 /nfs/dbraw/zinc/99/31/13/382993113.db2.gz SGIQSKUGEQZHFE-IAQYHMDHSA-N 1 0 262.401 2.768 50 0 CFAARO Cc1cc2ccccc2n1CCN(C)Cc1nnc(C)o1 ZINC000244811709 382993362 /nfs/dbraw/zinc/99/33/62/382993362.db2.gz SJQKJYIJKCALAX-UHFFFAOYSA-N 1 0 284.363 2.773 50 0 CFAARO CC[C@H](c1ccccn1)[N@H+](C)CCn1nccc1C ZINC000244774116 382993401 /nfs/dbraw/zinc/99/34/01/382993401.db2.gz POFYQBIKEHNRNO-OAHLLOKOSA-N 1 0 258.369 2.670 50 0 CFAARO C([C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1)N1CCCCC1 ZINC000247903114 383199373 /nfs/dbraw/zinc/19/93/73/383199373.db2.gz JDBPKYNBHDYTNL-JKSUJKDBSA-N 1 0 266.429 2.506 50 0 CFAARO Cc1csc(N2CC[N@@H+](C[C@H]3CCCCO3)C[C@@H]2C)n1 ZINC000247972375 383203549 /nfs/dbraw/zinc/20/35/49/383203549.db2.gz SWXIVJQPSWWEPU-UONOGXRCSA-N 1 0 295.452 2.531 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1csc(C)n1 ZINC000248035821 383207881 /nfs/dbraw/zinc/20/78/81/383207881.db2.gz NFJSSGZFRBMIKB-ZIAGYGMSSA-N 1 0 293.436 2.540 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1cccs1 ZINC000248155296 383215985 /nfs/dbraw/zinc/21/59/85/383215985.db2.gz VKCZSOYHFAWKHT-LSDHHAIUSA-N 1 0 292.448 2.766 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000248428924 383241382 /nfs/dbraw/zinc/24/13/82/383241382.db2.gz SHFLQTBCCIRJEH-QEJZJMRPSA-N 1 0 259.397 2.849 50 0 CFAARO C[C@@H](CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000249038660 383319130 /nfs/dbraw/zinc/31/91/30/383319130.db2.gz TZSPGXPYHXCEHE-FUHWJXTLSA-N 1 0 288.435 2.587 50 0 CFAARO C[C@H](C(=O)NCc1cccc2[nH]ccc21)[NH+]1CCC(C)CC1 ZINC000252505685 383415169 /nfs/dbraw/zinc/41/51/69/383415169.db2.gz VSOGLGUFIHNVEX-CQSZACIVSA-N 1 0 299.418 2.905 50 0 CFAARO Cc1c(C(=O)N[C@H](CC[NH+](C)C)c2ccccc2)ccn1C ZINC000426510876 383402930 /nfs/dbraw/zinc/40/29/30/383402930.db2.gz QVQBINIHKVECBF-QGZVFWFLSA-N 1 0 299.418 2.756 50 0 CFAARO OCCn1ccc([C@H]2CCC[N@H+](CC3=CCCCC3)C2)n1 ZINC000426530552 383403684 /nfs/dbraw/zinc/40/36/84/383403684.db2.gz SYGFTLLKQLPSFZ-INIZCTEOSA-N 1 0 289.423 2.555 50 0 CFAARO C[C@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1c[nH]cn1 ZINC000426541659 383405637 /nfs/dbraw/zinc/40/56/37/383405637.db2.gz UWGQCPXYJUAHKL-NSHDSACASA-N 1 0 292.427 2.534 50 0 CFAARO C[C@H](CNC(=S)NCc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000252452645 383407697 /nfs/dbraw/zinc/40/76/97/383407697.db2.gz TUUOODZZSKLVRS-CHWSQXEVSA-N 1 0 295.452 2.507 50 0 CFAARO CC(C)Cn1c(C[NH3+])nnc1SCC[C@@H]1CC1(F)F ZINC000426623020 383407933 /nfs/dbraw/zinc/40/79/33/383407933.db2.gz PZOYMVCZHUPFPN-SECBINFHSA-N 1 0 290.383 2.530 50 0 CFAARO Cc1cccc(C[n+]2cnn(Cc3ccccc3C)c2)c1 ZINC000252479461 383411019 /nfs/dbraw/zinc/41/10/19/383411019.db2.gz BFRACYNPSWQGJR-UHFFFAOYSA-N 1 0 278.379 2.884 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccsc1 ZINC000249685237 383355892 /nfs/dbraw/zinc/35/58/92/383355892.db2.gz FPOZPKDBTRNYFN-UONOGXRCSA-N 1 0 278.421 2.837 50 0 CFAARO CCCCS[C@H](C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000252666269 383426068 /nfs/dbraw/zinc/42/60/68/383426068.db2.gz AYCSBRRAJSYVPB-BZPMIXESSA-N 1 0 284.469 2.507 50 0 CFAARO C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1n1ccnc1 ZINC000252802297 383435415 /nfs/dbraw/zinc/43/54/15/383435415.db2.gz LBUXPBUYIHWUKQ-WMLDXEAASA-N 1 0 297.402 2.901 50 0 CFAARO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1 ZINC000253370356 383452211 /nfs/dbraw/zinc/45/22/11/383452211.db2.gz PTLWJGYBBPKNQV-CRAIPNDOSA-N 1 0 281.403 2.692 50 0 CFAARO OC[C@@H]([NH2+]CCc1ccccc1)c1cccc(F)c1 ZINC000253426471 383458186 /nfs/dbraw/zinc/45/81/86/383458186.db2.gz QHKVZBIZPIGMAF-MRXNPFEDSA-N 1 0 259.324 2.691 50 0 CFAARO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)cn1 ZINC000253432546 383460137 /nfs/dbraw/zinc/46/01/37/383460137.db2.gz LCSKXBGOKYRJNK-LSDHHAIUSA-N 1 0 277.412 2.983 50 0 CFAARO C[N@H+](CCO[C@H]1CCCCO1)[C@H]1CCCc2cccnc21 ZINC000252532955 383418295 /nfs/dbraw/zinc/41/82/95/383418295.db2.gz FOBPHXPSBSXFRX-HOTGVXAUSA-N 1 0 290.407 2.934 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)C2CC2)CC1 ZINC000257176021 383489926 /nfs/dbraw/zinc/48/99/26/383489926.db2.gz BXHUDSYBHJBIOC-UHFFFAOYSA-N 1 0 287.407 2.718 50 0 CFAARO CCC(=O)N1CCC(Cc2[nH+]cc(C)n2CC2CC2)CC1 ZINC000257191861 383491791 /nfs/dbraw/zinc/49/17/91/383491791.db2.gz ROTLAACINGEKBB-UHFFFAOYSA-N 1 0 289.423 2.793 50 0 CFAARO Cc1nonc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268048650 384517444 /nfs/dbraw/zinc/51/74/44/384517444.db2.gz UAIQXCYEXSLKOW-LBPRGKRZSA-N 1 0 261.300 2.507 50 0 CFAARO C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000269233571 384739629 /nfs/dbraw/zinc/73/96/29/384739629.db2.gz SIEAAFCKJYVUHJ-SNPRPXQTSA-N 1 0 272.392 2.650 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCSC2)cc1 ZINC000271948794 385408934 /nfs/dbraw/zinc/40/89/34/385408934.db2.gz QSOQGHNYRHDNOS-ZDUSSCGKSA-N 1 0 277.368 2.811 50 0 CFAARO O=[N+]1C(c2cccs2)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000334157194 285190978 /nfs/dbraw/zinc/19/09/78/285190978.db2.gz ACNYLHNFRVIKIT-NXEZZACHSA-N 1 0 251.331 2.841 50 0 CFAARO O[C@@H](C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000013140422 285302149 /nfs/dbraw/zinc/30/21/49/285302149.db2.gz HMDFHKCUQNUSEN-OLZOCXBDSA-N 1 0 273.298 2.994 50 0 CFAARO O[C@@H](COc1ccc2ccccc2c1)C[NH+]1CCCC1 ZINC000000207281 285307496 /nfs/dbraw/zinc/30/74/96/285307496.db2.gz LZDYKIDRYGNHSQ-MRXNPFEDSA-N 1 0 271.360 2.675 50 0 CFAARO Cc1ccc2cc(C(=O)N3CCCC[C@H]3C[NH3+])c(C)nc2c1 ZINC000237887964 256850184 /nfs/dbraw/zinc/85/01/84/256850184.db2.gz UWHLQSGKWLIRON-HNNXBMFYSA-N 1 0 297.402 2.805 50 0 CFAARO Nc1nc(-c2ccc(-c3ccc(C[NH3+])nc3)cc2)cs1 ZINC000096179691 256887032 /nfs/dbraw/zinc/88/70/32/256887032.db2.gz PHXSXIPXURKVOP-UHFFFAOYSA-N 1 0 282.372 2.913 50 0 CFAARO CNc1nc(NCC[C@@H]2CCCC[N@@H+]2C(C)C)ncc1F ZINC000824090530 781986677 /nfs/dbraw/zinc/98/66/77/781986677.db2.gz LIJSHBQGRRHROR-LBPRGKRZSA-N 1 0 295.406 2.722 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C ZINC000095423702 184978374 /nfs/dbraw/zinc/97/83/74/184978374.db2.gz QWLFSMDGEIANED-XQQFMLRXSA-N 1 0 262.401 2.844 50 0 CFAARO Cn1cncc1C[NH2+]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000237933713 131066870 /nfs/dbraw/zinc/06/68/70/131066870.db2.gz DOPMFMAZTXDLFD-NVXWUHKLSA-N 1 0 285.391 2.678 50 0 CFAARO O=C(Cc1ccsc1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000261680915 131161738 /nfs/dbraw/zinc/16/17/38/131161738.db2.gz HMOFUZRSHQFRLA-UHFFFAOYSA-N 1 0 290.363 2.714 50 0 CFAARO c1ccc2c(c1)COC(C[NH2+]C1CCCCC1)OC2 ZINC000000196891 285511948 /nfs/dbraw/zinc/51/19/48/285511948.db2.gz DXZYHJARYCNAHJ-UHFFFAOYSA-N 1 0 261.365 2.982 50 0 CFAARO C/C(=C\C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000269109727 132114406 /nfs/dbraw/zinc/11/44/06/132114406.db2.gz DGEVVQXOTGYZSS-AORWBKJGSA-N 1 0 298.308 2.668 50 0 CFAARO CN(C(=O)/C=C/c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000269134673 132118661 /nfs/dbraw/zinc/11/86/61/132118661.db2.gz PVKLARPLRCNVLP-VOTSOKGWSA-N 1 0 278.783 2.564 50 0 CFAARO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000269222055 132134993 /nfs/dbraw/zinc/13/49/93/132134993.db2.gz BNDCUQWPAQAODP-MXASKKJJSA-N 1 0 286.419 2.909 50 0 CFAARO CCCCCC[C@H]1C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004837134 393458901 /nfs/dbraw/zinc/45/89/01/393458901.db2.gz HEQZDVJWAHZGMY-VHSXEESVSA-N 1 0 258.387 2.515 50 0 CFAARO [NH3+]Cc1ccccc1-c1ccc(CN2CCCC2=O)cc1 ZINC000012505809 393473049 /nfs/dbraw/zinc/47/30/49/393473049.db2.gz FFEXXXFJKSLUKM-UHFFFAOYSA-N 1 0 280.371 2.935 50 0 CFAARO COC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000012383424 393473453 /nfs/dbraw/zinc/47/34/53/393473453.db2.gz LPVYQFOPBZVATJ-QWHCGFSZSA-N 1 0 251.370 2.641 50 0 CFAARO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000022215724 393487655 /nfs/dbraw/zinc/48/76/55/393487655.db2.gz SYMRXAKJCMBHJY-HZSPNIEDSA-N 1 0 271.445 2.967 50 0 CFAARO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000034149046 393517182 /nfs/dbraw/zinc/51/71/82/393517182.db2.gz NIFKETYTGRVRLT-AWEZNQCLSA-N 1 0 273.376 2.968 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]C[C@H]2CNc3ccnn3C2)c(C)s1 ZINC000058327594 393624304 /nfs/dbraw/zinc/62/43/04/393624304.db2.gz HFMRDUNDVSBUKX-YPMHNXCESA-N 1 0 290.436 2.954 50 0 CFAARO Cc1c(F)cccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192669104 393629731 /nfs/dbraw/zinc/62/97/31/393629731.db2.gz ROIKLCPXRMNTIO-UHFFFAOYSA-N 1 0 276.355 2.947 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(C2Cc3ccccc3C2)C1 ZINC000065526324 393631643 /nfs/dbraw/zinc/63/16/43/393631643.db2.gz HZWFADICECYKQZ-AWEZNQCLSA-N 1 0 270.420 2.712 50 0 CFAARO Cc1cc2c(c(-c3nc4ccccc4[nH]3)c1)O[C@@H](C[NH3+])C2 ZINC000067894483 393634651 /nfs/dbraw/zinc/63/46/51/393634651.db2.gz SUQVFCYPICCTER-GFCCVEGCSA-N 1 0 279.343 2.801 50 0 CFAARO Cc1ccc([C@H]([NH2+]CC(=O)NC2CC2)c2ccccc2)cc1 ZINC000068759858 393635932 /nfs/dbraw/zinc/63/59/32/393635932.db2.gz XWZYOHARDQHQPJ-LJQANCHMSA-N 1 0 294.398 2.953 50 0 CFAARO C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)[C@H]1C[NH3+] ZINC000070176389 393638309 /nfs/dbraw/zinc/63/83/09/393638309.db2.gz IKOZVBVKFOOADI-ZANVPECISA-N 1 0 284.762 2.679 50 0 CFAARO C[C@H]1CCCN(C(=O)c2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070543548 393638453 /nfs/dbraw/zinc/63/84/53/393638453.db2.gz FCGYGDKZRLLBSE-GXFFZTMASA-N 1 0 266.772 2.539 50 0 CFAARO CC(C)c1nnsc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000072125412 393642160 /nfs/dbraw/zinc/64/21/60/393642160.db2.gz FFKQUCWAPYGLGL-LBPRGKRZSA-N 1 0 282.457 2.578 50 0 CFAARO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218961488 393759131 /nfs/dbraw/zinc/75/91/31/393759131.db2.gz ABPSUAUUAHMPAA-LNFKQOIKSA-N 1 0 285.375 2.810 50 0 CFAARO CCOC(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)OCC ZINC000230116815 393778309 /nfs/dbraw/zinc/77/83/09/393778309.db2.gz WHCKEAHJDRQRDM-CHWSQXEVSA-N 1 0 273.442 2.746 50 0 CFAARO CO[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000234860568 393783926 /nfs/dbraw/zinc/78/39/26/393783926.db2.gz XLYFUFJTWUWSCW-AWEZNQCLSA-N 1 0 265.328 2.509 50 0 CFAARO CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1cc(C(C)(C)C)n[nH]1 ZINC000240163623 393798040 /nfs/dbraw/zinc/79/80/40/393798040.db2.gz JCQPBEVXTDAERE-DZGCQCFKSA-N 1 0 290.455 2.623 50 0 CFAARO CC(C)c1nn(C)cc1C[N@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000242305043 393798189 /nfs/dbraw/zinc/79/81/89/393798189.db2.gz YUGWOWQRQMPQTR-SJLPKXTDSA-N 1 0 299.418 2.634 50 0 CFAARO CCC[NH+](CCC)CCN1CCCC[C@H]1C(=O)OCC ZINC000096012921 393814217 /nfs/dbraw/zinc/81/42/17/393814217.db2.gz CGCWAZQJGNQQNU-HNNXBMFYSA-N 1 0 284.444 2.526 50 0 CFAARO CC[C@@]1(C)CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000095971133 393814697 /nfs/dbraw/zinc/81/46/97/393814697.db2.gz FRGQWLQEOWLDMD-INIZCTEOSA-N 1 0 260.381 2.798 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccco1)c1ccccc1 ZINC000096305093 393819702 /nfs/dbraw/zinc/81/97/02/393819702.db2.gz IQDZKPUDKYCLOI-SNGWPZLWSA-N 1 0 284.359 2.712 50 0 CFAARO Cc1nc(CC[NH2+]Cc2c(C)nc3sccn23)cs1 ZINC000096403857 393821629 /nfs/dbraw/zinc/82/16/29/393821629.db2.gz QMASOUNNYJXRPT-UHFFFAOYSA-N 1 0 292.433 2.801 50 0 CFAARO Cc1nc(C[N@@H+](C(C)C)C2CCOCC2)oc1C ZINC000096419591 393826929 /nfs/dbraw/zinc/82/69/29/393826929.db2.gz SXRSCHOPHBEYGP-UHFFFAOYSA-N 1 0 252.358 2.681 50 0 CFAARO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)c1ccc(F)c(F)c1 ZINC000096432612 393832860 /nfs/dbraw/zinc/83/28/60/393832860.db2.gz OBVOCTRKUWUWAK-LLVKDONJSA-N 1 0 284.350 2.525 50 0 CFAARO CC(=O)NCCC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000097379785 393840100 /nfs/dbraw/zinc/84/01/00/393840100.db2.gz JKRTXZYKJHTJOY-HZPDHXFCSA-N 1 0 274.408 2.685 50 0 CFAARO C1=C(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CCOC1 ZINC000252486252 393935410 /nfs/dbraw/zinc/93/54/10/393935410.db2.gz HDNKLVPEOASEJJ-BZUAXINKSA-N 1 0 277.408 2.661 50 0 CFAARO COCCN(Cc1ccsc1)C[C@H]1CCCC[N@@H+]1C ZINC000252496812 393936257 /nfs/dbraw/zinc/93/62/57/393936257.db2.gz PSEPTTPLRUTHIH-OAHLLOKOSA-N 1 0 282.453 2.681 50 0 CFAARO c1nnc([C@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000252510365 393936977 /nfs/dbraw/zinc/93/69/77/393936977.db2.gz ZIMQHLIMDIXGKM-HNNXBMFYSA-N 1 0 292.427 2.581 50 0 CFAARO CCn1cnnc1C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000122931988 393972948 /nfs/dbraw/zinc/97/29/48/393972948.db2.gz XXJHXPGVHQPPHX-HUUCEWRRSA-N 1 0 284.407 2.970 50 0 CFAARO C[NH2+]C1CCN(C(=O)/C=C\c2ccc(C)c(Cl)c2)CC1 ZINC000493131851 394158842 /nfs/dbraw/zinc/15/88/42/394158842.db2.gz YHRWQKMQEOAMIN-WAYWQWQTSA-N 1 0 292.810 2.872 50 0 CFAARO CC(C)n1ccnc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000367220125 394252312 /nfs/dbraw/zinc/25/23/12/394252312.db2.gz RCTLFLGFZFKNJT-OAHLLOKOSA-N 1 0 285.391 2.947 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)/C=C\c1cccc(F)c1 ZINC000493480506 394254783 /nfs/dbraw/zinc/25/47/83/394254783.db2.gz FXLPGWLORPJCKS-TXXPJUPQSA-N 1 0 276.355 2.567 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]CC2(C)OCCO2)c(C)s1 ZINC000170062794 394371065 /nfs/dbraw/zinc/37/10/65/394371065.db2.gz FKGSDKSEICCNGL-SNVBAGLBSA-N 1 0 255.383 2.779 50 0 CFAARO C[NH2+]C[C@H](C)C(=O)N([C@@H](C)c1ccccc1F)C1CC1 ZINC000170048782 394371212 /nfs/dbraw/zinc/37/12/12/394371212.db2.gz AHKBMTMDMPLUFR-RYUDHWBXSA-N 1 0 278.371 2.733 50 0 CFAARO O=C(Nc1cnc(-c2ccccc2)s1)[C@H]1CCC[NH2+]1 ZINC000170070787 394371255 /nfs/dbraw/zinc/37/12/55/394371255.db2.gz OFARXCCNMHUGRF-LLVKDONJSA-N 1 0 273.361 2.501 50 0 CFAARO COC[C@@H](O)CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000170071243 394371322 /nfs/dbraw/zinc/37/13/22/394371322.db2.gz NSQZACYKEVCJHZ-ZDUSSCGKSA-N 1 0 283.371 2.743 50 0 CFAARO Cc1ccoc1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000025321589 542988174 /nfs/dbraw/zinc/98/81/74/542988174.db2.gz XRVQZXSRZYQEAC-UHFFFAOYSA-N 1 0 299.374 2.592 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000058377638 292053208 /nfs/dbraw/zinc/05/32/08/292053208.db2.gz XXDLHNNVUULEQJ-MRXNPFEDSA-N 1 0 272.392 2.695 50 0 CFAARO Cc1ccc(C)c(CC(=O)N2CCC([NH+]3CC=CC3)CC2)c1 ZINC000102696923 543103344 /nfs/dbraw/zinc/10/33/44/543103344.db2.gz LZFYNLMDGQOHED-UHFFFAOYSA-N 1 0 298.430 2.709 50 0 CFAARO O=C(/C=C/c1cccc(Cl)c1)NCC[NH+]1CCCCC1 ZINC000046855143 397582814 /nfs/dbraw/zinc/58/28/14/397582814.db2.gz DJKYTDSVXIEYFI-BQYQJAHWSA-N 1 0 292.810 2.955 50 0 CFAARO CC(C)CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000058431909 397590021 /nfs/dbraw/zinc/59/00/21/397590021.db2.gz DOZLBTRHNAILLX-OAHLLOKOSA-N 1 0 260.381 2.596 50 0 CFAARO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000215150066 397619244 /nfs/dbraw/zinc/61/92/44/397619244.db2.gz TXMUFXVPGQWNCS-OAHLLOKOSA-N 1 0 298.434 2.914 50 0 CFAARO Nc1ncccc1C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000215107071 397619262 /nfs/dbraw/zinc/61/92/62/397619262.db2.gz OBVFQMPHCLROSM-UHFFFAOYSA-N 1 0 294.402 2.623 50 0 CFAARO CSc1nc(N[C@H](C)Cc2ncccc2C)cc(N)[nH+]1 ZINC000824952206 781999948 /nfs/dbraw/zinc/99/99/48/781999948.db2.gz LYIBPAMKLWQSGW-SNVBAGLBSA-N 1 0 289.408 2.527 50 0 CFAARO CC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCCC2)nc1 ZINC000663381055 413172753 /nfs/dbraw/zinc/17/27/53/413172753.db2.gz YPGLUIOMCCJTDN-HNNXBMFYSA-N 1 0 275.396 2.817 50 0 CFAARO Cc1ccc([C@H]2NC(=[NH2+])N=C3Nc4ccccc4[C@H]32)s1 ZINC000095117775 292277877 /nfs/dbraw/zinc/27/78/77/292277877.db2.gz URSVULOYNKDGKH-QWHCGFSZSA-N 1 0 282.372 2.843 50 0 CFAARO Cc1cccc2[nH]c(CC[NH2+][C@H]3CCSC3)nc21 ZINC000825230905 782006505 /nfs/dbraw/zinc/00/65/05/782006505.db2.gz SHDQBXNNSFSKDL-NSHDSACASA-N 1 0 261.394 2.509 50 0 CFAARO COc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367053356 156273637 /nfs/dbraw/zinc/27/36/37/156273637.db2.gz FGCHNOXCMRBALA-QGZVFWFLSA-N 1 0 291.391 2.577 50 0 CFAARO Cc1ccccc1C1CC([NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000367246562 156302795 /nfs/dbraw/zinc/30/27/95/156302795.db2.gz NAOYHHALRGULFN-ZBCRRDGASA-N 1 0 286.419 2.888 50 0 CFAARO COc1nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)nn1C ZINC000426445660 286546576 /nfs/dbraw/zinc/54/65/76/286546576.db2.gz RNYPOSALLFKHPB-GFCCVEGCSA-N 1 0 286.379 2.648 50 0 CFAARO Cc1cc(N2CCC[C@@H](CNC(=O)c3ccco3)C2)cc[nH+]1 ZINC000370294668 156673763 /nfs/dbraw/zinc/67/37/63/156673763.db2.gz RDCPAHMUDLUNHB-AWEZNQCLSA-N 1 0 299.374 2.629 50 0 CFAARO CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccccn2)no1 ZINC000350489767 163087096 /nfs/dbraw/zinc/08/70/96/163087096.db2.gz TYOLUQGTLNLSAL-LBPRGKRZSA-N 1 0 258.325 2.679 50 0 CFAARO CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccn2)no1 ZINC000350489766 163087562 /nfs/dbraw/zinc/08/75/62/163087562.db2.gz TYOLUQGTLNLSAL-GFCCVEGCSA-N 1 0 258.325 2.679 50 0 CFAARO CC[C@@H](C)[NH2+]CCCOc1ccc(C(=O)OC)cc1 ZINC000002824817 169835324 /nfs/dbraw/zinc/83/53/24/169835324.db2.gz SQNZZQLOWNCPNA-GFCCVEGCSA-N 1 0 265.353 2.630 50 0 CFAARO COCC[NH2+]CCOc1c(C)cc(Cl)cc1C ZINC000002932435 169844759 /nfs/dbraw/zinc/84/47/59/169844759.db2.gz VFENLFQFBAKVIW-UHFFFAOYSA-N 1 0 257.761 2.572 50 0 CFAARO CC[NH+](CC)CCNC(=O)CSCc1ccc(C)cc1 ZINC000002965289 169846584 /nfs/dbraw/zinc/84/65/84/169846584.db2.gz BXQFYSSLNDBMPO-UHFFFAOYSA-N 1 0 294.464 2.686 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)C(C)C)c1C ZINC000003396112 169884981 /nfs/dbraw/zinc/88/49/81/169884981.db2.gz PZGUUPIVIMKQBV-HOTGVXAUSA-N 1 0 279.424 2.986 50 0 CFAARO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCC1 ZINC000004745229 170010091 /nfs/dbraw/zinc/01/00/91/170010091.db2.gz POWDRGBDVHKSNW-HNNXBMFYSA-N 1 0 290.382 2.660 50 0 CFAARO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000004760338 170012634 /nfs/dbraw/zinc/01/26/34/170012634.db2.gz ZHMISQRQHZSXRG-OAHLLOKOSA-N 1 0 275.396 2.909 50 0 CFAARO CC(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc31)CCC2 ZINC000004817406 170022741 /nfs/dbraw/zinc/02/27/41/170022741.db2.gz FJYJIBYKCXJBMW-UHFFFAOYSA-N 1 0 283.375 2.660 50 0 CFAARO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC000004827246 170024973 /nfs/dbraw/zinc/02/49/73/170024973.db2.gz OYIJVARHKGSMNG-UHFFFAOYSA-N 1 0 260.381 2.974 50 0 CFAARO Cc1cc(OCCC[NH2+]C[C@H](C)O)cc(C(C)C)c1 ZINC000004833824 170026535 /nfs/dbraw/zinc/02/65/35/170026535.db2.gz HZLFDIZQBPWQGL-AWEZNQCLSA-N 1 0 265.397 2.858 50 0 CFAARO C[C@@H]1CCC[N@H+](CCCOc2ccccc2C=O)C1 ZINC000004840955 170027671 /nfs/dbraw/zinc/02/76/71/170027671.db2.gz NFZNCLYYQZNOCZ-CQSZACIVSA-N 1 0 261.365 3.000 50 0 CFAARO CCOc1cccc(/C=C2/[C@H](O)C3CC[NH+]2CC3)c1 ZINC000004869232 170034098 /nfs/dbraw/zinc/03/40/98/170034098.db2.gz ZBPVXFUYSMJARC-UVQBRAAOSA-N 1 0 259.349 2.513 50 0 CFAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(C)c1C ZINC000004951318 170044755 /nfs/dbraw/zinc/04/47/55/170044755.db2.gz UEPBGBFQLXGEFW-OAHLLOKOSA-N 1 0 263.381 2.659 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004990135 170050551 /nfs/dbraw/zinc/05/05/51/170050551.db2.gz KQXOXXXVFSNDET-CYBMUJFWSA-N 1 0 286.375 2.943 50 0 CFAARO Cc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000005010338 170055422 /nfs/dbraw/zinc/05/54/22/170055422.db2.gz SOPUQXHVHBWMLN-SJORKVTESA-N 1 0 294.398 2.776 50 0 CFAARO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCCCC1 ZINC000005014213 170055788 /nfs/dbraw/zinc/05/57/88/170055788.db2.gz JDSHDPXJSYUYKA-UONOGXRCSA-N 1 0 260.381 2.738 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000005073618 170064339 /nfs/dbraw/zinc/06/43/39/170064339.db2.gz HYWGFGADEKRAEB-MRXNPFEDSA-N 1 0 277.408 2.775 50 0 CFAARO c1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000005298467 170084027 /nfs/dbraw/zinc/08/40/27/170084027.db2.gz OIUXDNFIIPLWDV-NSHDSACASA-N 1 0 261.350 2.786 50 0 CFAARO CC(=O)O[C@@H](COc1ccccc1)C[NH+]1CCCCCC1 ZINC000005427572 170098227 /nfs/dbraw/zinc/09/82/27/170098227.db2.gz QDFQNFGNMOYFTF-QGZVFWFLSA-N 1 0 291.391 2.873 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCc1ccccc1F ZINC000005524244 170108020 /nfs/dbraw/zinc/10/80/20/170108020.db2.gz AXBWTBDQEIFRII-FMKPAKJESA-N 1 0 295.398 2.966 50 0 CFAARO CC1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000005614487 170119713 /nfs/dbraw/zinc/11/97/13/170119713.db2.gz XSTHMBMTXNJJIH-QGZVFWFLSA-N 1 0 289.419 2.647 50 0 CFAARO CC1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000006348648 170194686 /nfs/dbraw/zinc/19/46/86/170194686.db2.gz IGFHOBWOCXKYIO-UHFFFAOYSA-N 1 0 260.381 2.585 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000006556197 170212806 /nfs/dbraw/zinc/21/28/06/170212806.db2.gz ULKRONYQGUYPJU-BFYDXBDKSA-N 1 0 277.408 2.542 50 0 CFAARO C[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000006730148 170234841 /nfs/dbraw/zinc/23/48/41/170234841.db2.gz HTXQOQHTPATXPX-UHFFFAOYSA-N 1 0 274.408 2.762 50 0 CFAARO C[NH+](C)CC(C)(C)CNc1ncnc2sccc21 ZINC000006906543 170254304 /nfs/dbraw/zinc/25/43/04/170254304.db2.gz CTVTZFFZSCJYGY-UHFFFAOYSA-N 1 0 264.398 2.691 50 0 CFAARO Cc1cccc(OC[C@H](O)C[N@@H+](C)Cc2cccs2)c1 ZINC000007166375 170269772 /nfs/dbraw/zinc/26/97/72/170269772.db2.gz OKHQLRICTAUOBV-CQSZACIVSA-N 1 0 291.416 2.928 50 0 CFAARO CCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000007262298 170274454 /nfs/dbraw/zinc/27/44/54/170274454.db2.gz OBNCBCVRJHVBDE-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000007378107 170280798 /nfs/dbraw/zinc/28/07/98/170280798.db2.gz SBCHUFWUZDWNHQ-LBPRGKRZSA-N 1 0 290.363 2.618 50 0 CFAARO CC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007538997 170290117 /nfs/dbraw/zinc/29/01/17/170290117.db2.gz WZLMRRGALDRJTA-UHFFFAOYSA-N 1 0 259.305 2.843 50 0 CFAARO CC[C@@H](C)c1ccccc1NC(=O)CSC(N)=[NH2+] ZINC000007813775 170304125 /nfs/dbraw/zinc/30/41/25/170304125.db2.gz HYCCRLNGUWRYPH-SECBINFHSA-N 1 0 265.382 2.765 50 0 CFAARO CCOc1cc(C[NH2+]C2CC2)cc(Cl)c1OC ZINC000008253648 170327129 /nfs/dbraw/zinc/32/71/29/170327129.db2.gz ZDERDFQGWRQAIP-UHFFFAOYSA-N 1 0 255.745 2.999 50 0 CFAARO C[NH+](C)CCCNCc1ccc(-c2ccccc2)o1 ZINC000008373883 170333395 /nfs/dbraw/zinc/33/33/95/170333395.db2.gz XZBLMUHEDFTZLD-UHFFFAOYSA-N 1 0 258.365 2.988 50 0 CFAARO C[C@H](CO)[NH2+]CCCSc1ccc(Cl)cc1 ZINC000008749842 170354427 /nfs/dbraw/zinc/35/44/27/170354427.db2.gz RKNBFDJFDLOIBQ-SNVBAGLBSA-N 1 0 259.802 2.793 50 0 CFAARO C[C@H](c1ccccc1)[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000009500268 170379177 /nfs/dbraw/zinc/37/91/77/170379177.db2.gz IZAUWBRCLCXUJA-CQSZACIVSA-N 1 0 293.370 2.888 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)NC1CCCCC1)c1ccccc1 ZINC000010017726 170395533 /nfs/dbraw/zinc/39/55/33/170395533.db2.gz ATHADVQRYYPJLM-INIZCTEOSA-N 1 0 289.423 2.921 50 0 CFAARO CCCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010359954 170405056 /nfs/dbraw/zinc/40/50/56/170405056.db2.gz WWPZXAXPPBEOJF-UHFFFAOYSA-N 1 0 260.381 2.812 50 0 CFAARO CC1(C)CC(NC(=O)C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000012342107 170477537 /nfs/dbraw/zinc/47/75/37/170477537.db2.gz KDTLLDSXXLMYIJ-UHFFFAOYSA-N 1 0 266.429 2.992 50 0 CFAARO CC(C)(C)C1CCC([NH2+][C@@H]2CCCCNC2=O)CC1 ZINC000012381369 170482294 /nfs/dbraw/zinc/48/22/94/170482294.db2.gz HMMDIOKXQZMSTA-JXQTWKCFSA-N 1 0 266.429 2.850 50 0 CFAARO Cc1ccccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000013673982 170576121 /nfs/dbraw/zinc/57/61/21/170576121.db2.gz KAUQOUFNUMYCBP-UHFFFAOYSA-N 1 0 274.408 2.991 50 0 CFAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccnc2)c1 ZINC000020141300 171027677 /nfs/dbraw/zinc/02/76/77/171027677.db2.gz BTSRZLYVOGCANR-LBPRGKRZSA-N 1 0 269.348 2.891 50 0 CFAARO COc1cc(C)ccc1OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167739 171040759 /nfs/dbraw/zinc/04/07/59/171040759.db2.gz NIVHJNMGHVCROT-HUUCEWRRSA-N 1 0 293.407 2.882 50 0 CFAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccncc2)c1 ZINC000020187516 171052276 /nfs/dbraw/zinc/05/22/76/171052276.db2.gz TYJPNAVYKFXMMW-GFCCVEGCSA-N 1 0 269.348 2.891 50 0 CFAARO CN(C)CC[NH2+]CCOc1ccc(Cc2ccccc2)cc1 ZINC000020418737 171183838 /nfs/dbraw/zinc/18/38/38/171183838.db2.gz AFWXCHOCBXFOCI-UHFFFAOYSA-N 1 0 298.430 2.807 50 0 CFAARO CC(C)CC[N@@H+]1CCN(Cc2cccs2)C[C@@H]1CCO ZINC000020514274 171231713 /nfs/dbraw/zinc/23/17/13/171231713.db2.gz UOQHGTPHOYYCCE-HNNXBMFYSA-N 1 0 296.480 2.663 50 0 CFAARO Cc1nc(CN(C)C(=O)CC[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000020535785 171240955 /nfs/dbraw/zinc/24/09/55/171240955.db2.gz ZCYFMGXYZYZSLF-GFCCVEGCSA-N 1 0 295.452 2.532 50 0 CFAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000020537866 171241295 /nfs/dbraw/zinc/24/12/95/171241295.db2.gz YKKLNZGNEQCLRA-AWEZNQCLSA-N 1 0 292.398 2.906 50 0 CFAARO Fc1ccc(-c2noc(CCC[NH+]3CCCC3)n2)cc1 ZINC000020542879 171242646 /nfs/dbraw/zinc/24/26/46/171242646.db2.gz COXRZFVFAOBDQD-UHFFFAOYSA-N 1 0 275.327 2.904 50 0 CFAARO O=C(C[C@H]1C=CCC1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000020637241 171268466 /nfs/dbraw/zinc/26/84/66/171268466.db2.gz YWQXUGMZUWLQIH-JKSUJKDBSA-N 1 0 276.424 2.677 50 0 CFAARO CCC(=O)c1ccccc1OCCCCN1CCOCC1 ZINC000020653056 171269088 /nfs/dbraw/zinc/26/90/88/171269088.db2.gz OKHRYFHUWCFYOS-UHFFFAOYSA-N 1 0 291.391 2.771 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+][C@H](CC)CO ZINC000020928787 171280488 /nfs/dbraw/zinc/28/04/88/171280488.db2.gz XHEJDHARKKYVHK-CYBMUJFWSA-N 1 0 271.788 2.989 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2ccccc2O)CCCCCC1 ZINC000021200512 171299388 /nfs/dbraw/zinc/29/93/88/171299388.db2.gz UQJJIIJFZGOCIC-UHFFFAOYSA-N 1 0 290.407 2.777 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1cc2ccccc2o1 ZINC000022063928 171351673 /nfs/dbraw/zinc/35/16/73/171351673.db2.gz IRTOMYLZWPVOTC-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023280115 171418201 /nfs/dbraw/zinc/41/82/01/171418201.db2.gz BYUQNZUEIVXXEE-JHJVBQTASA-N 1 0 251.345 2.866 50 0 CFAARO CCOC(=O)C1(CCc2ccccc2)CC[NH2+]CC1 ZINC000034219455 171834522 /nfs/dbraw/zinc/83/45/22/171834522.db2.gz POJVSTHZRYDQKL-UHFFFAOYSA-N 1 0 261.365 2.552 50 0 CFAARO CCN(C(=O)[C@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000035220762 172062678 /nfs/dbraw/zinc/06/26/78/172062678.db2.gz HORTVZUWNIEDSH-MRXNPFEDSA-N 1 0 274.408 2.738 50 0 CFAARO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000657913713 414051276 /nfs/dbraw/zinc/05/12/76/414051276.db2.gz LZIITLWSQAFIHA-PMPSAXMXSA-N 1 0 286.419 2.742 50 0 CFAARO O[C@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000037490697 173232419 /nfs/dbraw/zinc/23/24/19/173232419.db2.gz KBXDZHLWXBDDFT-MSOLQXFVSA-N 1 0 288.435 2.544 50 0 CFAARO CC1(C)CC(NC(=O)CCCn2cccc2)CC(C)(C)[NH2+]1 ZINC000665856497 414461513 /nfs/dbraw/zinc/46/15/13/414461513.db2.gz XPDMZZKELHBVGU-UHFFFAOYSA-N 1 0 291.439 2.694 50 0 CFAARO Brc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040575 174041304 /nfs/dbraw/zinc/04/13/04/174041304.db2.gz FCPNXWKPCQEGFL-UHFFFAOYSA-N 1 0 255.159 2.613 50 0 CFAARO CCCCOc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038049209 174060122 /nfs/dbraw/zinc/06/01/22/174060122.db2.gz ABANJWRFADNKTM-HOTGVXAUSA-N 1 0 290.407 2.865 50 0 CFAARO Cc1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000038580792 174148877 /nfs/dbraw/zinc/14/88/77/174148877.db2.gz CYXHQIKLVXGQHG-JTQLQIEISA-N 1 0 270.170 2.746 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)NCCC1=CCCCC1 ZINC000040161816 174196129 /nfs/dbraw/zinc/19/61/29/174196129.db2.gz DHXJVLCSAREPBB-AWEZNQCLSA-N 1 0 264.413 2.868 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCCCc1ccccc1 ZINC000040161500 174196459 /nfs/dbraw/zinc/19/64/59/174196459.db2.gz LXRDEKQXTFCQEO-OAHLLOKOSA-N 1 0 274.408 2.610 50 0 CFAARO COC(=O)c1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1F ZINC000286104780 196498214 /nfs/dbraw/zinc/49/82/14/196498214.db2.gz LFDMMEZFPAPCLO-LLVKDONJSA-N 1 0 297.395 2.940 50 0 CFAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000040465427 174274500 /nfs/dbraw/zinc/27/45/00/174274500.db2.gz PCSXWHSNOZALOU-UHFFFAOYSA-N 1 0 282.334 2.571 50 0 CFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1C ZINC000040466642 174275156 /nfs/dbraw/zinc/27/51/56/174275156.db2.gz WJBFFHNPIZJWKZ-CZUORRHYSA-N 1 0 274.408 2.801 50 0 CFAARO C/C=C/C[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000040496360 174295015 /nfs/dbraw/zinc/29/50/15/174295015.db2.gz WKKNJVPNTVENQG-ONEGZZNKSA-N 1 0 258.365 2.587 50 0 CFAARO CC[C@@H](CNC(=O)c1sccc1C)[NH+]1CCCC1 ZINC000040522385 174310924 /nfs/dbraw/zinc/31/09/24/174310924.db2.gz GPHGANJWDRQUDZ-LBPRGKRZSA-N 1 0 266.410 2.661 50 0 CFAARO C[C@@H]1CCC[C@@](CNCc2ccncc2)([NH+](C)C)C1 ZINC000040668177 174367361 /nfs/dbraw/zinc/36/73/61/174367361.db2.gz RZICBPDAFBPELA-GDBMZVCRSA-N 1 0 261.413 2.682 50 0 CFAARO CCCOc1ccc(C[NH2+]C[C@@H](C)O)cc1Cl ZINC000040743849 174390815 /nfs/dbraw/zinc/39/08/15/174390815.db2.gz SINPLCNEWIAQKC-SNVBAGLBSA-N 1 0 257.761 2.599 50 0 CFAARO CCOc1ccc(C[NH2+]CCCCO)cc1Cl ZINC000040744180 174391343 /nfs/dbraw/zinc/39/13/43/174391343.db2.gz NSIXGGVBNHYPEY-UHFFFAOYSA-N 1 0 257.761 2.601 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCCO)cc1Cl ZINC000040744200 174391594 /nfs/dbraw/zinc/39/15/94/174391594.db2.gz XRCPUVUWGLOKSP-UHFFFAOYSA-N 1 0 271.788 2.991 50 0 CFAARO CCn1cc(C(=O)NCCC[NH+]2CCCC2)c2ccccc21 ZINC000041836132 174623842 /nfs/dbraw/zinc/62/38/42/174623842.db2.gz RLNBUBHRNVXOJG-UHFFFAOYSA-N 1 0 299.418 2.877 50 0 CFAARO CCC(CC)(CNC(=O)CCc1ccsc1)[NH+](C)C ZINC000042769870 174870559 /nfs/dbraw/zinc/87/05/59/174870559.db2.gz CYHWIJVANJPGDH-UHFFFAOYSA-N 1 0 282.453 2.917 50 0 CFAARO Brc1cccc(COC[C@H]2CC[NH2+]C2)c1 ZINC000042773875 174872677 /nfs/dbraw/zinc/87/26/77/174872677.db2.gz SFMKIJQGXLNWNJ-NSHDSACASA-N 1 0 270.170 2.575 50 0 CFAARO O=C(NC1CC[NH+](C2CC2)CC1)C1(c2ccccc2)CCC1 ZINC000044217393 175154416 /nfs/dbraw/zinc/15/44/16/175154416.db2.gz FVMFLQOPKGTBEA-UHFFFAOYSA-N 1 0 298.430 2.851 50 0 CFAARO FC(F)Oc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000044683857 175230331 /nfs/dbraw/zinc/23/03/31/175230331.db2.gz XQAYWPNGIGSDFQ-LBPRGKRZSA-N 1 0 282.334 2.614 50 0 CFAARO CCN(CC)CC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946150 175388150 /nfs/dbraw/zinc/38/81/50/175388150.db2.gz QYBSMSGZLWXMHP-UHFFFAOYSA-N 1 0 259.397 2.610 50 0 CFAARO COc1ccc([C@@H](O)C[NH2+][C@@H](C)Cc2ccccc2)cc1 ZINC000062186436 175665675 /nfs/dbraw/zinc/66/56/75/175665675.db2.gz ZZFSETOETUSBIT-KSSFIOAISA-N 1 0 285.387 2.949 50 0 CFAARO c1c2ccccc2oc1-c1noc([C@H]2CCC[NH2+]C2)n1 ZINC000062797064 175674165 /nfs/dbraw/zinc/67/41/65/175674165.db2.gz WCOSJGISCXBZBT-NSHDSACASA-N 1 0 269.304 2.950 50 0 CFAARO CC[NH+]1CCC2(CC1)N=C(c1cccc(C)c1)C(=S)N2 ZINC000067172587 175769948 /nfs/dbraw/zinc/76/99/48/175769948.db2.gz ATWVVOQDHRHYAO-UHFFFAOYSA-N 1 0 287.432 2.938 50 0 CFAARO [NH3+]CCc1ccccc1-c1ccc2c(c1)OCCO2 ZINC000067562367 175778246 /nfs/dbraw/zinc/77/82/46/175778246.db2.gz LWGZJNQPMMOTQA-UHFFFAOYSA-N 1 0 255.317 2.626 50 0 CFAARO C[NH2+]CCCCNc1nccc(-c2ccc(C)nc2C)n1 ZINC000071714793 176249437 /nfs/dbraw/zinc/24/94/37/176249437.db2.gz CJVLVQFGMFZTMR-UHFFFAOYSA-N 1 0 285.395 2.567 50 0 CFAARO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000071797183 176265171 /nfs/dbraw/zinc/26/51/71/176265171.db2.gz FGDUVWRMGWZXTO-HNNXBMFYSA-N 1 0 259.328 2.896 50 0 CFAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC3CC3)C2)CC1 ZINC000071799622 176265693 /nfs/dbraw/zinc/26/56/93/176265693.db2.gz AUWKONKVKPQJSV-MRXNPFEDSA-N 1 0 293.455 2.550 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000071819511 176270300 /nfs/dbraw/zinc/27/03/00/176270300.db2.gz KQDGDOUTECGUOS-CQSZACIVSA-N 1 0 290.436 2.706 50 0 CFAARO CC(C)[C@H]1CCC[N@@H+]1Cc1nc(-c2ccoc2)no1 ZINC000071858781 176279611 /nfs/dbraw/zinc/27/96/11/176279611.db2.gz FZKQJIMZIXADIR-GFCCVEGCSA-N 1 0 261.325 2.950 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000071872158 176284295 /nfs/dbraw/zinc/28/42/95/176284295.db2.gz RIBMWVVACQUUJF-LBPRGKRZSA-N 1 0 286.404 2.980 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2CC2(O)CCCCC2)n1 ZINC000071876999 176286745 /nfs/dbraw/zinc/28/67/45/176286745.db2.gz XTVJCVGFMGHEIW-INIZCTEOSA-N 1 0 291.439 2.660 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000071880460 176287983 /nfs/dbraw/zinc/28/79/83/176287983.db2.gz MVOGMYJZMQVPMI-HZPDHXFCSA-N 1 0 292.448 2.766 50 0 CFAARO OCC[N@H+](C[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000071907828 176296862 /nfs/dbraw/zinc/29/68/62/176296862.db2.gz BWDKFUHKEYTHNR-MOPGFXCFSA-N 1 0 297.398 2.702 50 0 CFAARO CC(C)=CC[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC000072120950 176319555 /nfs/dbraw/zinc/31/95/55/176319555.db2.gz NJLQAJGSBUVNLU-UHFFFAOYSA-N 1 0 259.397 2.556 50 0 CFAARO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccnc1 ZINC000072125367 176320603 /nfs/dbraw/zinc/32/06/03/176320603.db2.gz GKCGCFBFAACVDT-UHFFFAOYSA-N 1 0 278.359 2.899 50 0 CFAARO CSCCC[NH+]1CCN(Cc2ccccc2C)CC1 ZINC000072129791 176321278 /nfs/dbraw/zinc/32/12/78/176321278.db2.gz RPPRGBXNJVAYAR-UHFFFAOYSA-N 1 0 278.465 2.866 50 0 CFAARO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC=CCC1 ZINC000072143866 176323909 /nfs/dbraw/zinc/32/39/09/176323909.db2.gz WNCUMNULTAPNMU-CYBMUJFWSA-N 1 0 283.375 2.711 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000072143033 176324345 /nfs/dbraw/zinc/32/43/45/176324345.db2.gz UFSROEFCQJJIHH-MRXNPFEDSA-N 1 0 282.387 2.722 50 0 CFAARO COc1ccnc(C[N@H+]2C[C@@H]3CC(C)=CC[C@@H]3C2)c1OC ZINC000072144338 176324351 /nfs/dbraw/zinc/32/43/51/176324351.db2.gz PYXSTDHWZGDYOY-KGLIPLIRSA-N 1 0 288.391 2.887 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(CCc2ccccc2)C1 ZINC000072156511 176328996 /nfs/dbraw/zinc/32/89/96/176328996.db2.gz MUADVOQSKDXVBF-OAHLLOKOSA-N 1 0 258.409 2.788 50 0 CFAARO CC1CCC(O)(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000072296484 176363508 /nfs/dbraw/zinc/36/35/08/176363508.db2.gz ZCVLLTQMBIGTEL-BBBYJDLNSA-N 1 0 277.412 2.530 50 0 CFAARO Nc1cc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)ncn1 ZINC000072409965 176398566 /nfs/dbraw/zinc/39/85/66/176398566.db2.gz ARLYWKHYFZEZTL-AWEZNQCLSA-N 1 0 289.427 2.515 50 0 CFAARO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccccc1C(F)(F)F ZINC000075110429 176661331 /nfs/dbraw/zinc/66/13/31/176661331.db2.gz AYMORIRDTGNWQU-APBUJDDRSA-N 1 0 293.354 2.952 50 0 CFAARO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(C)(C)O)c1 ZINC000075838939 176802700 /nfs/dbraw/zinc/80/27/00/176802700.db2.gz CWQNZXOFHITDDR-HNNXBMFYSA-N 1 0 262.397 2.660 50 0 CFAARO CC(C)=CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076396628 177014823 /nfs/dbraw/zinc/01/48/23/177014823.db2.gz YOZXEARZQWDTIV-AWEZNQCLSA-N 1 0 270.380 2.875 50 0 CFAARO C[C@H]1CO[C@@H](c2ccccc2)CN1CC[NH+]1CCCCC1 ZINC000077173853 177230048 /nfs/dbraw/zinc/23/00/48/177230048.db2.gz PMUDTBRTNUCTGW-FUHWJXTLSA-N 1 0 288.435 2.934 50 0 CFAARO c1csc(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)c1 ZINC000077374968 177259977 /nfs/dbraw/zinc/25/99/77/177259977.db2.gz HKAWEEVFWZZFJA-OAHLLOKOSA-N 1 0 294.464 2.825 50 0 CFAARO Oc1cccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)c1 ZINC000077404869 177263117 /nfs/dbraw/zinc/26/31/17/177263117.db2.gz RNZTZUPYUHYGSY-KRWDZBQOSA-N 1 0 294.358 2.515 50 0 CFAARO CC(C)c1nc([C@H](C)NC(=O)C[N@H+](C)C2CC2)cs1 ZINC000077614986 177287071 /nfs/dbraw/zinc/28/70/71/177287071.db2.gz NWJMYWIBWSYZLX-JTQLQIEISA-N 1 0 281.425 2.538 50 0 CFAARO COCCOc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000078656913 177367307 /nfs/dbraw/zinc/36/73/07/177367307.db2.gz YAQDZMHZIZUOMW-KRWDZBQOSA-N 1 0 299.370 2.935 50 0 CFAARO Fc1ccc(OC2CC[NH+](CCc3ncc[nH]3)CC2)cc1 ZINC000826588598 782024567 /nfs/dbraw/zinc/02/45/67/782024567.db2.gz BMCDYFRXQWALSS-UHFFFAOYSA-N 1 0 289.354 2.635 50 0 CFAARO [NH3+][C@H](Cc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000020551591 260119016 /nfs/dbraw/zinc/11/90/16/260119016.db2.gz FTJSLCMPIJYIHL-CQSZACIVSA-N 1 0 265.316 2.979 50 0 CFAARO CSC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218961067 262348187 /nfs/dbraw/zinc/34/81/87/262348187.db2.gz KDYXRDHZUAGFJL-GMTAPVOTSA-N 1 0 285.375 2.811 50 0 CFAARO C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@@H]1n1ccnc1 ZINC000095981733 265321465 /nfs/dbraw/zinc/32/14/65/265321465.db2.gz KXUQRNXNKQXREX-HOCLYGCPSA-N 1 0 295.390 2.614 50 0 CFAARO Cc1ccc(CNC(=O)C[NH+]2CCCCCC2)cc1C ZINC000827832318 782048387 /nfs/dbraw/zinc/04/83/87/782048387.db2.gz ZIFICVNGDMCQNO-UHFFFAOYSA-N 1 0 274.408 2.796 50 0 CFAARO CCC[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1[NH3+] ZINC000095367195 273622189 /nfs/dbraw/zinc/62/21/89/273622189.db2.gz DDASBRIUIACEPQ-ONGXEEELSA-N 1 0 273.302 2.664 50 0 CFAARO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000073853494 274737853 /nfs/dbraw/zinc/73/78/53/274737853.db2.gz MLRZQFDJQSNDLK-SNVBAGLBSA-N 1 0 272.270 2.704 50 0 CFAARO Cc1cccc2c(C)cc(N3CC[NH+](C)CC3)nc12 ZINC000005620029 274797545 /nfs/dbraw/zinc/79/75/45/274797545.db2.gz GJRYWNHFUAKCKR-UHFFFAOYSA-N 1 0 255.365 2.603 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000097159138 274833809 /nfs/dbraw/zinc/83/38/09/274833809.db2.gz ICQPTMJKVCLDKZ-HNNXBMFYSA-N 1 0 284.407 2.643 50 0 CFAARO c1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000000295008 275067262 /nfs/dbraw/zinc/06/72/62/275067262.db2.gz GQHPQUJGTWIWHZ-CQSZACIVSA-N 1 0 255.317 2.616 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000096292605 275399061 /nfs/dbraw/zinc/39/90/61/275399061.db2.gz UISWANSAYHUFBF-DDKJEQMHSA-N 1 0 282.391 2.594 50 0 CFAARO CC(C)(C[NH2+][C@H]1CC(C)(C)c2ccccc21)C(N)=O ZINC000095462749 275861421 /nfs/dbraw/zinc/86/14/21/275861421.db2.gz QGNQGHMQXORQGU-ZDUSSCGKSA-N 1 0 260.381 2.510 50 0 CFAARO CC1(C)C[C@](O)(CC[NH2+]Cc2cccs2)CCO1 ZINC000002435394 275870789 /nfs/dbraw/zinc/87/07/89/275870789.db2.gz RIZZOIYOURHFEL-AWEZNQCLSA-N 1 0 269.410 2.548 50 0 CFAARO CC[NH2+]Cc1ccccc1NC(=O)[C@H]1COc2ccccc21 ZINC000113768949 276267741 /nfs/dbraw/zinc/26/77/41/276267741.db2.gz LTSHMSRHPRMIJY-HNNXBMFYSA-N 1 0 296.370 2.911 50 0 CFAARO CCS[C@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000190034817 276400296 /nfs/dbraw/zinc/40/02/96/276400296.db2.gz WUQVNBKGUMLCDU-STQMWFEESA-N 1 0 253.415 2.537 50 0 CFAARO CC[C@H](C)[NH2+]C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005651403 276558665 /nfs/dbraw/zinc/55/86/65/276558665.db2.gz DOOALPDOSJGYOU-OKUQKKEKSA-N 1 0 295.467 2.968 50 0 CFAARO C[NH+]1CCC(c2ccc(Br)cn2)CC1 ZINC000072187546 277035221 /nfs/dbraw/zinc/03/52/21/277035221.db2.gz TZPWMJHBKSISOM-UHFFFAOYSA-N 1 0 255.159 2.653 50 0 CFAARO C[N@@H+]1CCC2(C1)CCN(c1ncccc1Cl)CC2 ZINC000065403801 277035629 /nfs/dbraw/zinc/03/56/29/277035629.db2.gz RVAYFDQERQHPMC-UHFFFAOYSA-N 1 0 265.788 2.657 50 0 CFAARO CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048345005 277038095 /nfs/dbraw/zinc/03/80/95/277038095.db2.gz FKBIFNWFIJVMKG-ZIAGYGMSSA-N 1 0 274.408 2.801 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000076723231 277192963 /nfs/dbraw/zinc/19/29/63/277192963.db2.gz HAZVEOOVLFBKJP-ZDUSSCGKSA-N 1 0 268.401 2.918 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000252485174 277223117 /nfs/dbraw/zinc/22/31/17/277223117.db2.gz GOSGBBJZRAQKHY-SNVBAGLBSA-N 1 0 271.348 2.517 50 0 CFAARO CC(C)CC[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000122589338 277366899 /nfs/dbraw/zinc/36/68/99/277366899.db2.gz UCBDFBULKJJKKJ-LSDHHAIUSA-N 1 0 266.429 2.803 50 0 CFAARO COC1=C2OCO[C@@H]2C=C2C=C[N+](Cc3ccccc3)=C[C@@H]21 ZINC000100644836 277475473 /nfs/dbraw/zinc/47/54/73/277475473.db2.gz IYTHNZGOQPSBPT-JKSUJKDBSA-N 1 0 296.346 2.584 50 0 CFAARO C[C@H](C1CC1)[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000252586191 278160239 /nfs/dbraw/zinc/16/02/39/278160239.db2.gz OBQPGRUDNHVABH-XJKCOSOUSA-N 1 0 278.440 2.944 50 0 CFAARO C[C@@H]([NH2+][C@@H](Cn1cncn1)c1ccccc1)C1CCC1 ZINC000095421761 278367161 /nfs/dbraw/zinc/36/71/61/278367161.db2.gz GDHIIVVULNEBAX-CJNGLKHVSA-N 1 0 270.380 2.798 50 0 CFAARO CC(C)(C)OC(=O)N1C[C@H]2c3ccccc3[C@H]([NH3+])[C@H]2C1 ZINC000091302532 278419598 /nfs/dbraw/zinc/41/95/98/278419598.db2.gz BSSUBMYYRYHUSD-IHRRRGAJSA-N 1 0 274.364 2.651 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000097159644 279055098 /nfs/dbraw/zinc/05/50/98/279055098.db2.gz QBBCNHORQHINTH-ABAIWWIYSA-N 1 0 265.401 2.711 50 0 CFAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CCCS1 ZINC000095969261 279244808 /nfs/dbraw/zinc/24/48/08/279244808.db2.gz VKCZJMCSERALHD-KGLIPLIRSA-N 1 0 284.469 2.653 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189402208 279376431 /nfs/dbraw/zinc/37/64/31/279376431.db2.gz ICKOUAFUHCMKPK-ZIGSKRJUSA-N 1 0 279.449 2.754 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000063193110 279417615 /nfs/dbraw/zinc/41/76/15/279417615.db2.gz AVHRARGZANIXKE-TVQRCGJNSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@@H]1[NH+](C)C ZINC000078895229 279814755 /nfs/dbraw/zinc/81/47/55/279814755.db2.gz CWRHSYNRSSIMFT-AAEUAGOBSA-N 1 0 292.448 2.649 50 0 CFAARO C[C@H]1OCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CC1 ZINC000090965279 280060560 /nfs/dbraw/zinc/06/05/60/280060560.db2.gz KMOYKGSKOPKFNX-MFKMUULPSA-N 1 0 267.319 2.763 50 0 CFAARO C[C@H]1c2cc(F)ccc2CC[N@H+]1CCn1cccn1 ZINC000299762579 280123659 /nfs/dbraw/zinc/12/36/59/280123659.db2.gz NVMIAADEWWJNAP-LBPRGKRZSA-N 1 0 259.328 2.642 50 0 CFAARO Cc1c(C[NH2+][C@@H](C)C(N)=O)c2ccccc2n1CC(C)C ZINC000063871109 280226806 /nfs/dbraw/zinc/22/68/06/280226806.db2.gz BQDQJAAPVOFGFH-LBPRGKRZSA-N 1 0 287.407 2.569 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000237751183 280263077 /nfs/dbraw/zinc/26/30/77/280263077.db2.gz TWFNBWWEYUEEJY-LLVKDONJSA-N 1 0 292.766 2.958 50 0 CFAARO CC(C)[C@H]([NH3+])C(O)(c1ccccc1)c1ccccc1 ZINC000000404147 280275442 /nfs/dbraw/zinc/27/54/42/280275442.db2.gz LNQVZZGGOZBOQS-INIZCTEOSA-N 1 0 255.361 2.906 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@]2(C)CCCO2)o1 ZINC000094797196 280578716 /nfs/dbraw/zinc/57/87/16/280578716.db2.gz ALYROPYJUZKNBL-OAHLLOKOSA-N 1 0 275.352 2.637 50 0 CFAARO CC1(C)CC(NC(=O)NC2CCCC2)CC(C)(C)[NH2+]1 ZINC000009874302 280909780 /nfs/dbraw/zinc/90/97/80/280909780.db2.gz AUAVIWVCIJPHRB-UHFFFAOYSA-N 1 0 267.417 2.537 50 0 CFAARO Cc1ccc2c(c1)c(C[NH2+][C@@H](C)CCn1cccn1)nn2C ZINC000065384467 281130312 /nfs/dbraw/zinc/13/03/12/281130312.db2.gz SAGAKGVFUUFHGZ-AWEZNQCLSA-N 1 0 297.406 2.647 50 0 CFAARO Cc1cccc(CC[NH+]2CCC(c3cc[nH]n3)CC2)n1 ZINC000515837262 281298235 /nfs/dbraw/zinc/29/82/35/281298235.db2.gz POFQVZXORKQQPK-UHFFFAOYSA-N 1 0 270.380 2.535 50 0 CFAARO C[NH+](C)CC[C@H](c1ccccc1)n1ccnc1-c1c[nH]cn1 ZINC000077504997 289185537 /nfs/dbraw/zinc/18/55/37/289185537.db2.gz LDPPVVQAMBHNED-MRXNPFEDSA-N 1 0 295.390 2.814 50 0 CFAARO CN1C[C@H]([NH2+][C@@H]2CC(C)(C)Cc3occc32)CCC1=O ZINC000095968243 290309638 /nfs/dbraw/zinc/30/96/38/290309638.db2.gz CVSXWBFDWFDPHF-DGCLKSJQSA-N 1 0 276.380 2.504 50 0 CFAARO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@@H]2CCSC2)cc1F ZINC000096493563 294747599 /nfs/dbraw/zinc/74/75/99/294747599.db2.gz FGBOGUBBDCVFKJ-SWHYSGLUSA-N 1 0 285.359 2.890 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccccc1F ZINC000040267438 304689800 /nfs/dbraw/zinc/68/98/00/304689800.db2.gz ZECYVONKCZAGLN-NVXWUHKLSA-N 1 0 282.318 2.750 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c(C)n1C1CC1 ZINC000237427423 301094949 /nfs/dbraw/zinc/09/49/49/301094949.db2.gz LUBZZSSKOSHASG-BDJLRTHQSA-N 1 0 289.423 2.639 50 0 CFAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000004951517 301227442 /nfs/dbraw/zinc/22/74/42/301227442.db2.gz CGQOSPGAKCSQOM-MRXNPFEDSA-N 1 0 277.408 2.775 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000299742285 302158691 /nfs/dbraw/zinc/15/86/91/302158691.db2.gz AYXQTVPRYRVEGB-BSWAZPDLSA-N 1 0 286.419 2.827 50 0 CFAARO NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000069737334 303245360 /nfs/dbraw/zinc/24/53/60/303245360.db2.gz BSECEPCTEZCCDL-GFCCVEGCSA-N 1 0 286.297 2.718 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCCOC2CCCC2)n1 ZINC000534639441 328335464 /nfs/dbraw/zinc/33/54/64/328335464.db2.gz USUIKNVNRJWXEM-AWEZNQCLSA-N 1 0 279.428 2.827 50 0 CFAARO CCCc1nc(C)c(C[NH2+][C@H]2CCCOC2)s1 ZINC000534651704 328337284 /nfs/dbraw/zinc/33/72/84/328337284.db2.gz XSBOMXXBFAOSBV-NSHDSACASA-N 1 0 254.399 2.673 50 0 CFAARO CCC[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)[NH+](C)C ZINC000534654469 328339140 /nfs/dbraw/zinc/33/91/40/328339140.db2.gz OEZBMRVXXDEXRP-ZDUSSCGKSA-N 1 0 286.778 2.939 50 0 CFAARO CC(C)(C)c1ccc(C(=O)CCCN2CC[C@@H]([NH3+])C2)cc1 ZINC000534670950 328347411 /nfs/dbraw/zinc/34/74/11/328347411.db2.gz SNZWNFUDKNNTNQ-MRXNPFEDSA-N 1 0 288.435 2.980 50 0 CFAARO CC(C)[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 ZINC000097228269 323618579 /nfs/dbraw/zinc/61/85/79/323618579.db2.gz OWWXSFZQEKSSGI-WCQYABFASA-N 1 0 278.362 2.895 50 0 CFAARO C[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@@H]1O ZINC000192797244 324065278 /nfs/dbraw/zinc/06/52/78/324065278.db2.gz HSOQKXXJDBRQPB-ZFWWWQNUSA-N 1 0 265.422 2.623 50 0 CFAARO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)ccn1C ZINC000195147562 328449688 /nfs/dbraw/zinc/44/96/88/328449688.db2.gz HKQXFHVYACOMCU-QGZVFWFLSA-N 1 0 299.418 2.675 50 0 CFAARO C[NH+](C)CCOCCOc1cc(Cl)ccc1Cl ZINC000002823077 333056902 /nfs/dbraw/zinc/05/69/02/333056902.db2.gz ZVBNRVOUHJRONC-UHFFFAOYSA-N 1 0 278.179 2.950 50 0 CFAARO Cc1cc2c(cccc2OC[C@@H](O)C[NH2+]C(C)(C)C)[nH]1 ZINC000004060268 534070522 /nfs/dbraw/zinc/07/05/22/534070522.db2.gz BGQHPLYSXBZMQG-LBPRGKRZSA-N 1 0 276.380 2.604 50 0 in-vitro CFAARO C[C@H](C(=O)N1CC[C@H]([NH3+])C[C@H]1C)c1cc2ccccc2o1 ZINC000408519231 534293055 /nfs/dbraw/zinc/29/30/55/534293055.db2.gz YVBBBFSQCWHIAM-DYEKYZERSA-N 1 0 286.375 2.875 50 0 CFAARO C[N@H+](CCCCCO)CCOc1ccccc1Cl ZINC000096026618 522731324 /nfs/dbraw/zinc/73/13/24/522731324.db2.gz YRILARKONVCASF-UHFFFAOYSA-N 1 0 271.788 2.813 50 0 CFAARO COC(=O)CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052710509 523058628 /nfs/dbraw/zinc/05/86/28/523058628.db2.gz LEDQIIDDVWBFAJ-UHFFFAOYSA-N 1 0 275.270 2.700 50 0 CFAARO Cc1nc[nH]c1CN1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000107016594 534718132 /nfs/dbraw/zinc/71/81/32/534718132.db2.gz VGSXOINNVYZSFO-QGZVFWFLSA-N 1 0 290.455 2.660 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)nc2ccccc12 ZINC000156201167 526247126 /nfs/dbraw/zinc/24/71/26/526247126.db2.gz QDJLOBMFQUIMSM-UONOGXRCSA-N 1 0 297.402 2.743 50 0 CFAARO c1ccc(CC[NH+]2CCC(Nc3cnccn3)CC2)cc1 ZINC000192808914 526465361 /nfs/dbraw/zinc/46/53/61/526465361.db2.gz VOOONZGRSFVBBK-UHFFFAOYSA-N 1 0 282.391 2.596 50 0 CFAARO [NH3+]Cc1ccc(-c2nc([C@@H]3CCOC3)cs2)cc1 ZINC000157830485 527250354 /nfs/dbraw/zinc/25/03/54/527250354.db2.gz FLRLZJXKMNGRFQ-GFCCVEGCSA-N 1 0 260.362 2.773 50 0 CFAARO CCO[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1O ZINC000222807714 528063330 /nfs/dbraw/zinc/06/33/30/528063330.db2.gz RCOYLVWJFYFVQS-OALUTQOASA-N 1 0 297.398 2.935 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000014008861 528134166 /nfs/dbraw/zinc/13/41/66/528134166.db2.gz PRWATQLBOZXDSD-UHFFFAOYSA-N 1 0 273.380 2.548 50 0 CFAARO CC(C)COC[C@H](O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000252516012 535187225 /nfs/dbraw/zinc/18/72/25/535187225.db2.gz PGFVWSUKTALBPE-CHWSQXEVSA-N 1 0 283.437 2.701 50 0 CFAARO C[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000003683492 536340307 /nfs/dbraw/zinc/34/03/07/536340307.db2.gz YYQCCEWNNWORIB-UHFFFAOYSA-N 1 0 293.842 2.556 50 0 CFAARO C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000007988828 536423361 /nfs/dbraw/zinc/42/33/61/536423361.db2.gz CTMJFUGDCDNNLX-OAHLLOKOSA-N 1 0 299.418 2.733 50 0 CFAARO COc1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341975721 537095759 /nfs/dbraw/zinc/09/57/59/537095759.db2.gz JZBWUZIMXNSACN-KRWDZBQOSA-N 1 0 291.391 2.577 50 0 CFAARO Cc1cc(Cl)cc(C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000235852796 567892170 /nfs/dbraw/zinc/89/21/70/567892170.db2.gz YKSAQJUSXSGCGL-CQSZACIVSA-N 1 0 280.799 2.896 50 0 CFAARO CCCO[C@@H]1CCC[N@H+](Cc2[nH]c(CC)nc2C)C1 ZINC000952966703 614951883 /nfs/dbraw/zinc/95/18/83/614951883.db2.gz DRXIJCXIRJGILX-CYBMUJFWSA-N 1 0 265.401 2.672 50 0 CFAARO CC(C)[NH+]1CCN(c2ccc(-c3ccncc3)cn2)CC1 ZINC000088343421 617754529 /nfs/dbraw/zinc/75/45/29/617754529.db2.gz DTEGCDLSQYNQSO-UHFFFAOYSA-N 1 0 282.391 2.674 50 0 CFAARO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000825290946 623664419 /nfs/dbraw/zinc/66/44/19/623664419.db2.gz AYSUSAHGBDYRBA-CABNGKKXSA-N 1 0 251.395 2.734 50 0 CFAARO C[C@@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000825290952 623664371 /nfs/dbraw/zinc/66/43/71/623664371.db2.gz AYSUSAHGBDYRBA-YXCITZCRSA-N 1 0 251.395 2.734 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)o1 ZINC000068134237 624976305 /nfs/dbraw/zinc/97/63/05/624976305.db2.gz FSQLENOLDDSLRF-AWEZNQCLSA-N 1 0 276.380 2.679 50 0 CFAARO COC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180199458 625003605 /nfs/dbraw/zinc/00/36/05/625003605.db2.gz XFCGVEKBWSWUBL-OAHLLOKOSA-N 1 0 299.418 2.946 50 0 CFAARO COc1cc(F)c([C@H](C)[NH2+][C@H]2C[C@@H]3COC[C@@H]32)cc1OC ZINC000952992746 626122020 /nfs/dbraw/zinc/12/20/20/626122020.db2.gz ADDSHZNZHQEIAM-QPPBUOOMSA-N 1 0 295.354 2.528 50 0 CFAARO C=CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000863971535 637824430 /nfs/dbraw/zinc/82/44/30/637824430.db2.gz XUXZNEKOXINDJZ-UHFFFAOYSA-N 1 0 284.403 2.687 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000863983142 637833116 /nfs/dbraw/zinc/83/31/16/637833116.db2.gz CITIMNDQHKMZOP-STQMWFEESA-N 1 0 287.407 2.605 50 0 CFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC2(C)C)cc1 ZINC000952968590 650790151 /nfs/dbraw/zinc/79/01/51/650790151.db2.gz NIAUIQHHDZIEMR-INIZCTEOSA-N 1 0 288.435 2.931 50 0 CFAARO C[N@H+](CC(=O)Nc1cccc(-n2cccn2)c1)C1CCCC1 ZINC000952982527 650791423 /nfs/dbraw/zinc/79/14/23/650791423.db2.gz ATPYIDLDRZEHQL-UHFFFAOYSA-N 1 0 298.390 2.685 50 0 CFAARO CC(C)CC1(CNC(=O)/C=C2/C[NH+]3CCC2CC3)CC1 ZINC000095467436 650972971 /nfs/dbraw/zinc/97/29/71/650972971.db2.gz LOBHZODLEATFOP-DHDCSXOGSA-N 1 0 276.424 2.581 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccc(F)cc1 ZINC000098007734 651059634 /nfs/dbraw/zinc/05/96/34/651059634.db2.gz LYJJHBBDTQTUJO-JKEYDSJLSA-N 1 0 290.382 2.830 50 0 CFAARO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000887268675 647255959 /nfs/dbraw/zinc/25/59/59/647255959.db2.gz RJMTUFHKGKGAFG-HZMVEIRTSA-N 1 0 290.451 2.898 50 0 CFAARO Cc1cc(NC(=O)C[NH+]2CCCC2)c2ccccc2n1 ZINC000000190810 651100403 /nfs/dbraw/zinc/10/04/03/651100403.db2.gz JZKSWRPUEAMBTI-UHFFFAOYSA-N 1 0 269.348 2.578 50 0 CFAARO C[C@H](O)C[NH+](Cc1ccc(Cl)cc1Cl)C[C@H](C)O ZINC000000757398 651113868 /nfs/dbraw/zinc/11/38/68/651113868.db2.gz BNUNIMZITWKVNR-UWVGGRQHSA-N 1 0 292.206 2.557 50 0 CFAARO CCc1nc(C)c(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)o1 ZINC000020202750 651297093 /nfs/dbraw/zinc/29/70/93/651297093.db2.gz DOOJWWHUCSJLRY-QGZVFWFLSA-N 1 0 286.375 2.639 50 0 CFAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)NNc1ccc(F)cc1 ZINC000049519546 779127347 /nfs/dbraw/zinc/12/73/47/779127347.db2.gz VTMDLDJXHVRPAX-CQSZACIVSA-N 1 0 279.359 2.533 50 0 CFAARO CC[C@H](C(=O)NCc1ccc2[nH]c(C)cc2c1)[N@H+](C)CC ZINC000822555789 781903719 /nfs/dbraw/zinc/90/37/19/781903719.db2.gz NBRLGHBYDOZJQB-MRXNPFEDSA-N 1 0 287.407 2.823 50 0 CFAARO CC[C@@H](Cc1ccco1)[NH2+]Cc1cccc(CO)c1 ZINC000822620684 781907754 /nfs/dbraw/zinc/90/77/54/781907754.db2.gz XNUUVUJIJBJSTQ-HNNXBMFYSA-N 1 0 259.349 2.883 50 0 CFAARO CCn1cc(C[NH2+]C[C@H](C)c2nc3ccccc3o2)cn1 ZINC000096446421 230374637 /nfs/dbraw/zinc/37/46/37/230374637.db2.gz RDYANKIEDWABGA-LBPRGKRZSA-N 1 0 284.363 2.938 50 0 CFAARO Cc1cc(C[NH2+][C@H]2CCCSC2)ccc1-n1cncn1 ZINC000096452769 230376175 /nfs/dbraw/zinc/37/61/75/230376175.db2.gz NSYSVPLPAQPKCL-AWEZNQCLSA-N 1 0 288.420 2.561 50 0 CFAARO CCC[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000082121424 177922070 /nfs/dbraw/zinc/92/20/70/177922070.db2.gz RFGNRUHLMZRMQX-RHSMWYFYSA-N 1 0 294.414 2.867 50 0 CFAARO Oc1cccc(C[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000096473197 230379239 /nfs/dbraw/zinc/37/92/39/230379239.db2.gz AVEWFCSBYFJNSI-UHFFFAOYSA-N 1 0 278.739 2.609 50 0 CFAARO O=c1ccccn1CCCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000096476771 230379861 /nfs/dbraw/zinc/37/98/61/230379861.db2.gz RNFKBLOCAGIUPP-GOSISDBHSA-N 1 0 296.414 2.776 50 0 CFAARO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000096489891 230382264 /nfs/dbraw/zinc/38/22/64/230382264.db2.gz WERDRQVZDPJYNB-MRXNPFEDSA-N 1 0 296.370 2.744 50 0 CFAARO COCCC[C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000096496504 230384103 /nfs/dbraw/zinc/38/41/03/230384103.db2.gz SWCPKCMWHOGDID-CVEARBPZSA-N 1 0 296.455 2.526 50 0 CFAARO C[C@H](c1ccc(-c2ccc(N(C)C)nn2)cc1)[NH+](C)C ZINC000097657284 230386856 /nfs/dbraw/zinc/38/68/56/230386856.db2.gz BGIXHGMKJAGIHA-GFCCVEGCSA-N 1 0 270.380 2.832 50 0 CFAARO NC(=[NH2+])SCc1ncc(C(F)(F)F)cc1Cl ZINC000004073549 230368536 /nfs/dbraw/zinc/36/85/36/230368536.db2.gz ZTWJPRZHMQPSIQ-UHFFFAOYSA-N 1 0 269.679 2.880 50 0 CFAARO CCn1cc(C[N@H+](C)C[C@@H]2CCOc3ccccc3C2)cn1 ZINC000095507594 185000297 /nfs/dbraw/zinc/00/02/97/185000297.db2.gz WGOJKEUJXFQTOL-OAHLLOKOSA-N 1 0 299.418 2.976 50 0 CFAARO C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(O)c(F)c1 ZINC000426374415 230416119 /nfs/dbraw/zinc/41/61/19/230416119.db2.gz RPCKVGNUDJSQBI-NSHDSACASA-N 1 0 294.370 2.583 50 0 CFAARO NC(=O)C[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095519205 185002480 /nfs/dbraw/zinc/00/24/80/185002480.db2.gz AKTMMEKARCLQSC-UHFFFAOYSA-N 1 0 294.398 2.554 50 0 CFAARO CCC(CC)NC(=O)c1ccccc1CC[NH+](C)C ZINC000095939761 185035168 /nfs/dbraw/zinc/03/51/68/185035168.db2.gz ZERJCMFPJWKHDS-UHFFFAOYSA-N 1 0 262.397 2.709 50 0 CFAARO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000095943314 185036945 /nfs/dbraw/zinc/03/69/45/185036945.db2.gz WJCCMKWFPNLESX-AWEZNQCLSA-N 1 0 290.411 2.646 50 0 CFAARO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)cc(C)n2)C1 ZINC000095943313 185037091 /nfs/dbraw/zinc/03/70/91/185037091.db2.gz WJCCMKWFPNLESX-CQSZACIVSA-N 1 0 290.411 2.646 50 0 CFAARO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000095955895 185042763 /nfs/dbraw/zinc/04/27/63/185042763.db2.gz KLUDHUUYDSZNDM-GZBFAFLISA-N 1 0 260.381 2.816 50 0 CFAARO CCOc1cc(CCC[NH2+][C@H](C)COC)ccc1OC ZINC000095962417 185044304 /nfs/dbraw/zinc/04/43/04/185044304.db2.gz MADRKUSXHCFOKX-CYBMUJFWSA-N 1 0 281.396 2.651 50 0 CFAARO C[C@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000095962983 185044701 /nfs/dbraw/zinc/04/47/01/185044701.db2.gz GIPWJFLHFQAPOF-AWEZNQCLSA-N 1 0 264.388 2.989 50 0 CFAARO Cc1cc(OCC(=O)NCc2ccccc2F)cc(C)[nH+]1 ZINC000095964605 185045828 /nfs/dbraw/zinc/04/58/28/185045828.db2.gz COGTVYXWEOYVGM-UHFFFAOYSA-N 1 0 288.322 2.533 50 0 CFAARO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000095967601 185046966 /nfs/dbraw/zinc/04/69/66/185046966.db2.gz FIAPXBZRBZGSIN-XGNXJENSSA-N 1 0 264.369 2.686 50 0 CFAARO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc2ccccc2o1 ZINC000095968892 185048207 /nfs/dbraw/zinc/04/82/07/185048207.db2.gz PICXNDSKXGUIJX-IAQYHMDHSA-N 1 0 277.389 2.951 50 0 CFAARO Cc1csc(C[NH2+][C@@H](C)C[C@H](O)c2ccco2)n1 ZINC000095978182 185051540 /nfs/dbraw/zinc/05/15/40/185051540.db2.gz CPPJVQHEZOFSOH-ONGXEEELSA-N 1 0 266.366 2.646 50 0 CFAARO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)o1 ZINC000095985380 185055119 /nfs/dbraw/zinc/05/51/19/185055119.db2.gz AUKDNUBRQCZHTD-QWRGUYRKSA-N 1 0 281.352 2.532 50 0 CFAARO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)o1 ZINC000095985381 185055178 /nfs/dbraw/zinc/05/51/78/185055178.db2.gz AUKDNUBRQCZHTD-WDEREUQCSA-N 1 0 281.352 2.532 50 0 CFAARO CC[C@@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000095985995 185055951 /nfs/dbraw/zinc/05/59/51/185055951.db2.gz MNMZQQZXIXCAMP-CZUORRHYSA-N 1 0 262.397 2.708 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1=O ZINC000095987465 185056293 /nfs/dbraw/zinc/05/62/93/185056293.db2.gz MVBDHEHWANBXLP-JKSUJKDBSA-N 1 0 272.392 2.737 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000095986063 185056356 /nfs/dbraw/zinc/05/63/56/185056356.db2.gz TYMOKEJSEKHVPC-NSHDSACASA-N 1 0 297.362 2.723 50 0 CFAARO COCc1nc(C[NH2+][C@H]2CCO[C@@H](CC(C)C)C2)cs1 ZINC000095991116 185058244 /nfs/dbraw/zinc/05/82/44/185058244.db2.gz JCTLZRRRKVQZRA-JSGCOSHPSA-N 1 0 298.452 2.973 50 0 CFAARO C[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)Cc2ccccn2)[C@@H]1C ZINC000096004763 185062888 /nfs/dbraw/zinc/06/28/88/185062888.db2.gz VGULFCFEMANQHA-ANQUJSFKSA-N 1 0 276.424 2.647 50 0 CFAARO c1cc(CCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)ccn1 ZINC000096012979 185065457 /nfs/dbraw/zinc/06/54/57/185065457.db2.gz MEAAZDSNLDEZHR-KRWDZBQOSA-N 1 0 283.375 2.563 50 0 CFAARO C[NH+](C)C[C@H]1CCCC[C@]1(O)c1ccc(Cl)nc1 ZINC000034399292 282133922 /nfs/dbraw/zinc/13/39/22/282133922.db2.gz XACXTIXNRHOMPK-OCCSQVGLSA-N 1 0 268.788 2.674 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]CCN2CCCCC2)cc1 ZINC000096876701 185119142 /nfs/dbraw/zinc/11/91/42/185119142.db2.gz GAAJICBIRXYVSG-OAHLLOKOSA-N 1 0 276.424 2.702 50 0 CFAARO Cc1c(C[NH2+]C[C@@H]2CCc3ccccc32)cnn1C ZINC000097021674 185153769 /nfs/dbraw/zinc/15/37/69/185153769.db2.gz OVFFAOBSGADYEK-AWEZNQCLSA-N 1 0 255.365 2.548 50 0 CFAARO C[N@H+](CCCn1ccnc1)Cc1ccc(F)c(F)c1 ZINC000097032960 185155533 /nfs/dbraw/zinc/15/55/33/185155533.db2.gz YPLBZSZWWJDYMA-UHFFFAOYSA-N 1 0 265.307 2.683 50 0 CFAARO CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000097033157 185156233 /nfs/dbraw/zinc/15/62/33/185156233.db2.gz MYRAQZGQAZUVDI-SNVBAGLBSA-N 1 0 286.778 2.998 50 0 CFAARO COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](SC)C2)cc1 ZINC000097034938 185157045 /nfs/dbraw/zinc/15/70/45/185157045.db2.gz VWJPUWHRSXHDGP-KGLIPLIRSA-N 1 0 279.405 2.847 50 0 CFAARO CC[C@H](NC(=O)CC[NH+]1CCCCCC1)c1ccncc1 ZINC000219822267 529472573 /nfs/dbraw/zinc/47/25/73/529472573.db2.gz LDOUGGODHNRTLU-INIZCTEOSA-N 1 0 289.423 2.915 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2CC)o1 ZINC000069624049 346897221 /nfs/dbraw/zinc/89/72/21/346897221.db2.gz CIVVQHRXKYUSAJ-LSDHHAIUSA-N 1 0 290.407 2.931 50 0 CFAARO Cc1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1C ZINC000105905359 136378961 /nfs/dbraw/zinc/37/89/61/136378961.db2.gz MQONVXLPHMZWIA-QGZVFWFLSA-N 1 0 296.418 2.852 50 0 CFAARO CCN(C(=O)C[N@@H+]1CCSC2(CCCCC2)C1)C1CC1 ZINC000075106022 347055818 /nfs/dbraw/zinc/05/58/18/347055818.db2.gz MKWDYZLSEPAFGD-UHFFFAOYSA-N 1 0 296.480 2.749 50 0 CFAARO C[C@@H]1OCC[C@@H]1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000097038516 185510901 /nfs/dbraw/zinc/51/09/01/185510901.db2.gz AVASIWACPVZONV-YOEHRIQHSA-N 1 0 274.408 2.914 50 0 CFAARO C[C@H](CCc1ccc(F)cc1)[NH2+]CCc1cncn1C ZINC000097164430 185553970 /nfs/dbraw/zinc/55/39/70/185553970.db2.gz BUONXKFIHKRNDS-CYBMUJFWSA-N 1 0 275.371 2.713 50 0 CFAARO CC(C)C[C@H](C)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000097228528 185567395 /nfs/dbraw/zinc/56/73/95/185567395.db2.gz CETNJDPMMHWXOV-JTQLQIEISA-N 1 0 263.307 2.970 50 0 CFAARO C[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000128305782 187362429 /nfs/dbraw/zinc/36/24/29/187362429.db2.gz GZPPJMCUWTXURT-HTQZYQBOSA-N 1 0 276.149 2.620 50 0 CFAARO COc1ccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)c(C)c1 ZINC000097547446 185626409 /nfs/dbraw/zinc/62/64/09/185626409.db2.gz VSCVBXWXIWVLBT-CYBMUJFWSA-N 1 0 291.395 2.657 50 0 CFAARO CCOc1cccc(NC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000000354436 346204934 /nfs/dbraw/zinc/20/49/34/346204934.db2.gz KKKICVCVTLISKB-OAHLLOKOSA-N 1 0 290.363 2.728 50 0 CFAARO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)s1 ZINC000090402083 539531590 /nfs/dbraw/zinc/53/15/90/539531590.db2.gz GILSDBOUJHOCLQ-SECBINFHSA-N 1 0 290.392 2.793 50 0 CFAARO CC[NH+](CC)CCOCCOc1ccccc1C ZINC000023549828 346252791 /nfs/dbraw/zinc/25/27/91/346252791.db2.gz XSOFUYWDVGKTBY-UHFFFAOYSA-N 1 0 251.370 2.732 50 0 CFAARO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000085411749 179057071 /nfs/dbraw/zinc/05/70/71/179057071.db2.gz WQEACRKNPKAUDS-PMPSAXMXSA-N 1 0 272.392 2.679 50 0 CFAARO C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCOC1 ZINC000098060161 185679743 /nfs/dbraw/zinc/67/97/43/185679743.db2.gz OELFFJIHRHPSCM-UWVGGRQHSA-N 1 0 257.736 2.994 50 0 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1 0 295.448 2.608 50 0 CFAARO Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000678461011 539556005 /nfs/dbraw/zinc/55/60/05/539556005.db2.gz IEHKRAHSSHKJHF-VXGBXAGGSA-N 1 0 260.341 2.647 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000079075253 347288576 /nfs/dbraw/zinc/28/85/76/347288576.db2.gz UZXVDGWSLMCHLK-FZMZJTMJSA-N 1 0 252.427 2.875 50 0 CFAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccsc2)cn1 ZINC000078880746 347277971 /nfs/dbraw/zinc/27/79/71/347277971.db2.gz PYDNCPZYPBYJJP-ZFWWWQNUSA-N 1 0 291.420 2.832 50 0 CFAARO CS[C@H]1CC[C@H]([N@H+](C)CCc2ccncc2)C1 ZINC000078947803 347281143 /nfs/dbraw/zinc/28/11/43/347281143.db2.gz AIACHDSZNWKNDB-KBPBESRZSA-N 1 0 250.411 2.840 50 0 CFAARO Cc1cc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)on1 ZINC000084124270 347457421 /nfs/dbraw/zinc/45/74/21/347457421.db2.gz OUKNNVCCORMKBL-ZDUSSCGKSA-N 1 0 271.364 2.824 50 0 CFAARO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1F ZINC000095457657 347698218 /nfs/dbraw/zinc/69/82/18/347698218.db2.gz 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/nfs/dbraw/zinc/70/87/56/347708756.db2.gz VMBHBELPDKWMIY-CZUORRHYSA-N 1 0 276.428 2.875 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC000106779384 347732636 /nfs/dbraw/zinc/73/26/36/347732636.db2.gz LBYAHKCQUBZAAZ-OAGGEKHMSA-N 1 0 276.424 2.818 50 0 CFAARO CC(=O)NCC[NH2+][C@@H](C)Cc1c(Cl)cccc1Cl ZINC000119598676 347803349 /nfs/dbraw/zinc/80/33/49/347803349.db2.gz AVXPXZVHAIYIOF-VIFPVBQESA-N 1 0 289.206 2.650 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1nccs1 ZINC000086508051 179303843 /nfs/dbraw/zinc/30/38/43/179303843.db2.gz JRYIEVGSOPLTKD-MNOVXSKESA-N 1 0 276.361 2.634 50 0 CFAARO CCCCNC(=O)NC[C@@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000725255231 539587748 /nfs/dbraw/zinc/58/77/48/539587748.db2.gz WVVHYQDVTBQJFE-SWLSCSKDSA-N 1 0 269.433 2.629 50 0 CFAARO CCCCNC(=O)NC[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000725255232 539587859 /nfs/dbraw/zinc/58/78/59/539587859.db2.gz WVVHYQDVTBQJFE-WFASDCNBSA-N 1 0 269.433 2.629 50 0 CFAARO CC(=O)c1c(C)n(O)c2cc(Cl)c(Cl)cc2[n+]1=O ZINC000139305699 347919235 /nfs/dbraw/zinc/91/92/35/347919235.db2.gz OWSRJXSVKLLXJX-UHFFFAOYSA-N 1 0 288.110 2.611 50 0 CFAARO CC[C@H]([NH2+]CCc1nnc[nH]1)c1cccc(Cl)c1F ZINC000161879159 348026889 /nfs/dbraw/zinc/02/68/89/348026889.db2.gz MVUKDHIUUIMIEW-NSHDSACASA-N 1 0 282.750 2.881 50 0 CFAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC[C@@H]1CCCCO1 ZINC000170594603 348055192 /nfs/dbraw/zinc/05/51/92/348055192.db2.gz LSXAPBLFLRGLLG-VGWMRTNUSA-N 1 0 295.423 2.752 50 0 CFAARO Cc1nc(N(C)C)sc1C[N@H+](C)CCc1ccncc1 ZINC000170594889 348055256 /nfs/dbraw/zinc/05/52/56/348055256.db2.gz BHPZTOAKHGWYFO-UHFFFAOYSA-N 1 0 290.436 2.587 50 0 CFAARO Cc1cc(C)nc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000170607261 348056738 /nfs/dbraw/zinc/05/67/38/348056738.db2.gz YHFYSTKJTCPYQD-UHFFFAOYSA-N 1 0 282.391 2.868 50 0 CFAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC000172019966 348085566 /nfs/dbraw/zinc/08/55/66/348085566.db2.gz QYIWTFFMECCFCF-GFCCVEGCSA-N 1 0 272.348 2.647 50 0 CFAARO CCC[C@H]([NH2+]C[C@H]1CCC=CO1)c1nnc2ccccn21 ZINC000225584314 348178683 /nfs/dbraw/zinc/17/86/83/348178683.db2.gz VHCXXNPGDSJSIY-KGLIPLIRSA-N 1 0 286.379 2.853 50 0 CFAARO CNC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccsc1 ZINC000225545461 348178691 /nfs/dbraw/zinc/17/86/91/348178691.db2.gz WUJWOAHHEDHFAI-RTXFEEFZSA-N 1 0 266.410 2.704 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000221339595 348171328 /nfs/dbraw/zinc/17/13/28/348171328.db2.gz RQXJMLJYZDTQFO-MMPTUQATSA-N 1 0 259.440 2.864 50 0 CFAARO Cc1ccccc1C[n+]1cnn(Cc2ccccc2)c1 ZINC000230518882 348206749 /nfs/dbraw/zinc/20/67/49/348206749.db2.gz QMOFSZVFKZJHMU-UHFFFAOYSA-N 1 0 264.352 2.576 50 0 CFAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c(F)c1 ZINC000248619871 348275102 /nfs/dbraw/zinc/27/51/02/348275102.db2.gz SQLKLBYKDLMPQA-SLEUVZQESA-N 1 0 294.370 2.618 50 0 CFAARO CCN(CC[NH+](C)C)C(=O)NC1(c2ccccc2C)CC1 ZINC000584885623 348727571 /nfs/dbraw/zinc/72/75/71/348727571.db2.gz AMKFXMCEGPWYPO-UHFFFAOYSA-N 1 0 289.423 2.577 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(C3CC3)n[nH]1)CC2 ZINC000584890444 348728280 /nfs/dbraw/zinc/72/82/80/348728280.db2.gz ZQDKVSKMTQKTKO-HNNXBMFYSA-N 1 0 297.402 2.943 50 0 CFAARO Cc1cccc2ncn(CC3([NH+](C)C)CCCCC3)c(=O)c12 ZINC000584890358 348728437 /nfs/dbraw/zinc/72/84/37/348728437.db2.gz MZFIEFJIIQXOKM-UHFFFAOYSA-N 1 0 299.418 2.969 50 0 CFAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)c1ccsc1 ZINC000584892333 348729321 /nfs/dbraw/zinc/72/93/21/348729321.db2.gz HQGPTYWQVYGHGN-UHFFFAOYSA-N 1 0 286.400 2.966 50 0 CFAARO CC[C@H]([NH2+]C1CSCCSC1)c1ccncc1 ZINC000584895084 348730291 /nfs/dbraw/zinc/73/02/91/348730291.db2.gz MEBJWYYYWXJZML-ZDUSSCGKSA-N 1 0 268.451 2.971 50 0 CFAARO Cc1cc(C)cc(N2CCC([NH2+][C@H]3CCN(C)C3)CC2)c1 ZINC000584901117 348733011 /nfs/dbraw/zinc/73/30/11/348733011.db2.gz ODFVGYMNEWOARB-KRWDZBQOSA-N 1 0 287.451 2.566 50 0 CFAARO Fc1ccccc1[C@@H](C[NH2+]C1CCOCC1)N1CCCC1 ZINC000584902009 348733190 /nfs/dbraw/zinc/73/31/90/348733190.db2.gz ZFZWESKGHWFWSL-QGZVFWFLSA-N 1 0 292.398 2.731 50 0 CFAARO O=c1c2cccc(Cl)c2ncn1CCC[NH+]1CCCC1 ZINC000584903629 348733509 /nfs/dbraw/zinc/73/35/09/348733509.db2.gz DFCFGRCEMWLUNJ-UHFFFAOYSA-N 1 0 291.782 2.536 50 0 CFAARO C[N@H+](Cc1ccc(Cl)cc1)C1CCS(=O)CC1 ZINC000078969837 539677415 /nfs/dbraw/zinc/67/74/15/539677415.db2.gz BLQJXXNGSUUDRD-UHFFFAOYSA-N 1 0 271.813 2.683 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)s1 ZINC000090183286 179929029 /nfs/dbraw/zinc/92/90/29/179929029.db2.gz XGEWCESYKDZBIM-LLVKDONJSA-N 1 0 287.450 2.532 50 0 CFAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849001 180045362 /nfs/dbraw/zinc/04/53/62/180045362.db2.gz YPGOSIAGXNUHLW-LRDDRELGSA-N 1 0 275.348 2.543 50 0 CFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccnc3ccccc13)C2 ZINC000091593201 180201320 /nfs/dbraw/zinc/20/13/20/180201320.db2.gz PBDBDPWLJMTBAP-GOEBONIOSA-N 1 0 281.403 2.761 50 0 CFAARO COCC[C@@]1(CO)CCC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000091651510 180216760 /nfs/dbraw/zinc/21/67/60/180216760.db2.gz VEVFHUPYDPPZLX-KRWDZBQOSA-N 1 0 295.398 2.745 50 0 CFAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC000091680284 180226401 /nfs/dbraw/zinc/22/64/01/180226401.db2.gz GVORNCPDSWRATA-QGZVFWFLSA-N 1 0 289.423 2.716 50 0 CFAARO C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)c1ccccc1F ZINC000091701884 180229937 /nfs/dbraw/zinc/22/99/37/180229937.db2.gz VNRSHCIVJBTVTG-WBMJQRKESA-N 1 0 274.339 2.947 50 0 CFAARO CCCN1CCC[C@@]2(CCN(c3cc[nH+]c(C)c3)C2)C1=O ZINC000091713740 180231456 /nfs/dbraw/zinc/23/14/56/180231456.db2.gz JMCYGXUJRQIYNL-KRWDZBQOSA-N 1 0 287.407 2.619 50 0 CFAARO CC(C)c1cc(NCCCc2ccccn2)nc(N)[nH+]1 ZINC000091713871 180231660 /nfs/dbraw/zinc/23/16/60/180231660.db2.gz KOJNWQTYQBNCMV-UHFFFAOYSA-N 1 0 271.368 2.622 50 0 CFAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](CC2CCOCC2)C1 ZINC000091934486 180288921 /nfs/dbraw/zinc/28/89/21/180288921.db2.gz KCZAVUNIKCHBGW-KRWDZBQOSA-N 1 0 281.440 2.844 50 0 CFAARO Cc1csc([C@@H](C)Nc2nc(N)[nH+]c(C)c2C)n1 ZINC000091877122 180278942 /nfs/dbraw/zinc/27/89/42/180278942.db2.gz SVZBIBOBZBOSFF-SECBINFHSA-N 1 0 263.370 2.614 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000092037700 180310491 /nfs/dbraw/zinc/31/04/91/180310491.db2.gz RICCEBAFVWWMMA-HNNXBMFYSA-N 1 0 299.418 2.823 50 0 CFAARO CN(Cc1ccc(Cl)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253339 180353155 /nfs/dbraw/zinc/35/31/55/180353155.db2.gz GBYPWTPVUZYQJJ-NSHDSACASA-N 1 0 256.777 2.707 50 0 CFAARO CS[C@@H]1CC[C@H]([N@H+](C)CCc2ccncc2)C1 ZINC000107145133 186160263 /nfs/dbraw/zinc/16/02/63/186160263.db2.gz AIACHDSZNWKNDB-UONOGXRCSA-N 1 0 250.411 2.840 50 0 CFAARO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1OC ZINC000108327781 186211788 /nfs/dbraw/zinc/21/17/88/186211788.db2.gz FGJCFPQVYWOMOZ-ZFWWWQNUSA-N 1 0 293.407 2.748 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)s1 ZINC000211269448 539914983 /nfs/dbraw/zinc/91/49/83/539914983.db2.gz RKHYJZHXIBQOFN-GDLVEWKHSA-N 1 0 259.440 2.864 50 0 CFAARO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)[C@@H]1CC=CCC1 ZINC000618256344 352740055 /nfs/dbraw/zinc/74/00/55/352740055.db2.gz GSUNGEZGMTUELC-CABCVRRESA-N 1 0 290.432 2.795 50 0 CFAARO COc1ccc(C[NH2+][C@](C)(CO)C2CCCCC2)cc1O ZINC000152763153 188042388 /nfs/dbraw/zinc/04/23/88/188042388.db2.gz ACMKNOVEOUYJLB-QGZVFWFLSA-N 1 0 293.407 2.822 50 0 CFAARO CCC[N@@H+](Cc1cc(C(C)=O)cn1C)C[C@H]1CCCO1 ZINC000216088772 539970206 /nfs/dbraw/zinc/97/02/06/539970206.db2.gz AYCTWDOPAVIYKA-MRXNPFEDSA-N 1 0 278.396 2.619 50 0 CFAARO Cc1cccc(C2CC([NH2+]CCn3cnnc3C3CC3)C2)c1 ZINC000154308788 188135080 /nfs/dbraw/zinc/13/50/80/188135080.db2.gz JSPPPRZTLHXAAG-UHFFFAOYSA-N 1 0 296.418 3.000 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(C)c1ccc(Oc2ccccc2)cc1 ZINC000156383036 188258870 /nfs/dbraw/zinc/25/88/70/188258870.db2.gz JVFAFLGRTKZDIP-GFCCVEGCSA-N 1 0 270.332 2.789 50 0 CFAARO C/C(=C/C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1ccc(F)cc1 ZINC000156562354 188269002 /nfs/dbraw/zinc/26/90/02/188269002.db2.gz PDRFUHOOOJYZDF-MKWMNFFCSA-N 1 0 290.382 2.815 50 0 CFAARO Cc1cccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000158422102 188375085 /nfs/dbraw/zinc/37/50/85/188375085.db2.gz HEMIFKUSPCQJAI-KRWDZBQOSA-N 1 0 297.402 2.569 50 0 CFAARO COC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000685940244 540020786 /nfs/dbraw/zinc/02/07/86/540020786.db2.gz ADHQZZNBARODSS-APPZFPTMSA-N 1 0 296.169 2.790 50 0 CFAARO CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CC[NH2+]CC2 ZINC000685944713 540024197 /nfs/dbraw/zinc/02/41/97/540024197.db2.gz UZSWPXDPTFMZPU-LBPRGKRZSA-N 1 0 268.401 2.632 50 0 CFAARO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nc1 ZINC000083704996 540183536 /nfs/dbraw/zinc/18/35/36/540183536.db2.gz CKKCVODFYGOXNA-TZMCWYRMSA-N 1 0 279.815 2.794 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000084023564 540191918 /nfs/dbraw/zinc/19/19/18/540191918.db2.gz LPRNRMQAWAVYNA-LLVKDONJSA-N 1 0 287.363 2.798 50 0 CFAARO Cc1nc(CN(Cc2ccccc2)[C@H]2CC[N@@H+](C)C2)oc1C ZINC000084061346 540192669 /nfs/dbraw/zinc/19/26/69/540192669.db2.gz IFWHDZWXCZJTQJ-KRWDZBQOSA-N 1 0 299.418 2.998 50 0 CFAARO Cc1nc(C)c(C[NH2+]C[C@@H]2CCCn3ccnc32)s1 ZINC000084062479 540192724 /nfs/dbraw/zinc/19/27/24/540192724.db2.gz DCAZKJMSNNYITK-LBPRGKRZSA-N 1 0 276.409 2.624 50 0 CFAARO CC[C@@H](CCO)C[NH2+]Cc1csc(C(C)C)n1 ZINC000084733274 540207192 /nfs/dbraw/zinc/20/71/92/540207192.db2.gz FEPLPEHQODOKLU-NSHDSACASA-N 1 0 256.415 2.765 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccncc2)[C@H](CC)C1 ZINC000084736178 540207275 /nfs/dbraw/zinc/20/72/75/540207275.db2.gz WIZYPXPECTUFTH-LZWOXQAQSA-N 1 0 289.423 2.769 50 0 CFAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1occc1C ZINC000084736264 540207500 /nfs/dbraw/zinc/20/75/00/540207500.db2.gz DSWPNJDWXRIYKD-CABCVRRESA-N 1 0 292.423 2.961 50 0 CFAARO CN1C[C@@]2(CCCN(c3cc[nH+]c4ccccc43)C2)OC1=O ZINC000072453825 283223929 /nfs/dbraw/zinc/22/39/29/283223929.db2.gz NQBCCQBTHGUAHB-QGZVFWFLSA-N 1 0 297.358 2.656 50 0 CFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)c1ccc(F)cc1Cl)C2 ZINC000091650955 283246920 /nfs/dbraw/zinc/24/69/20/283246920.db2.gz AIUQZVWHFLWNPM-CMPLNLGQSA-N 1 0 296.773 2.645 50 0 CFAARO C[C@H]([NH2+]C1(CCO)CCOCC1)c1cc(F)ccc1F ZINC000097037907 299267227 /nfs/dbraw/zinc/26/72/27/299267227.db2.gz UOQSVPSAXFDJFN-NSHDSACASA-N 1 0 285.334 2.547 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)C1CCC1 ZINC000090856178 540381792 /nfs/dbraw/zinc/38/17/92/540381792.db2.gz PURRTLLMGSNDGW-NEPJUHHUSA-N 1 0 271.368 2.502 50 0 CFAARO CC(C)=CCC[N@@H+](C)C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000823683879 781936236 /nfs/dbraw/zinc/93/62/36/781936236.db2.gz GSPNSJGKLPCVDV-CQSZACIVSA-N 1 0 266.429 2.922 50 0 CFAARO C[C@H]([NH2+]Cc1nsc2ccccc12)[C@H]1CCOC1 ZINC000585094368 540462082 /nfs/dbraw/zinc/46/20/82/540462082.db2.gz QDZWEEJTEURLJJ-QWRGUYRKSA-N 1 0 262.378 2.811 50 0 CFAARO C[NH+](C)CCc1ccc(NC(=O)c2ccc(CO)cc2)cc1 ZINC000585102487 540462236 /nfs/dbraw/zinc/46/22/36/540462236.db2.gz GYDQTGQYJLHKNA-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/13/07/83/189130783.db2.gz FXHSWATZLPGGJD-CYBMUJFWSA-N 1 0 298.814 2.680 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000178989102 189159860 /nfs/dbraw/zinc/15/98/60/189159860.db2.gz QKVOBTPQQJLRGV-SNVBAGLBSA-N 1 0 292.379 2.722 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)C1 ZINC000299739059 200850843 /nfs/dbraw/zinc/85/08/43/200850843.db2.gz JYXOHKUVMRLYMQ-ZACQAIPSSA-N 1 0 286.419 2.738 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000299740278 200851471 /nfs/dbraw/zinc/85/14/71/200851471.db2.gz XWLPDOVOLCZLJI-PWSUYJOCSA-N 1 0 278.421 2.825 50 0 CFAARO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000261603069 540981077 /nfs/dbraw/zinc/98/10/77/540981077.db2.gz CFZTYPSIRCTDBD-ZDUSSCGKSA-N 1 0 290.363 2.652 50 0 CFAARO C[C@@H](C(=O)NCCCC[NH+]1CCCCCC1)n1cccc1 ZINC000670437099 540994010 /nfs/dbraw/zinc/99/40/10/540994010.db2.gz GKXIVDBYIHCEQT-INIZCTEOSA-N 1 0 291.439 2.822 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2cccn2C2CC2)CCCCC1 ZINC000670440208 540995857 /nfs/dbraw/zinc/99/58/57/540995857.db2.gz WNCIBHLXHSZAJN-UHFFFAOYSA-N 1 0 289.423 2.817 50 0 CFAARO CNC(=O)C[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000670442950 540997123 /nfs/dbraw/zinc/99/71/23/540997123.db2.gz KSDFOHYPYMYBJT-HNNXBMFYSA-N 1 0 266.429 2.805 50 0 CFAARO O=C1CC[C@@H](C[NH+]2CCC3(CCc4ccccc43)CC2)O1 ZINC000670447813 540998056 /nfs/dbraw/zinc/99/80/56/540998056.db2.gz VBASJXXRBLSBKF-HNNXBMFYSA-N 1 0 285.387 2.672 50 0 CFAARO Cc1ncc(C[NH+]2CCC(Cc3cccnc3)CC2)[nH]1 ZINC000670451080 540999960 /nfs/dbraw/zinc/99/99/60/540999960.db2.gz AJZXJYRXVDOOSI-UHFFFAOYSA-N 1 0 270.380 2.568 50 0 CFAARO C[N@H+](CCOCc1ccccc1)CCC1(O)CCCC1 ZINC000670458317 541002196 /nfs/dbraw/zinc/00/21/96/541002196.db2.gz JNZNVVWTZQGKIQ-UHFFFAOYSA-N 1 0 277.408 2.830 50 0 CFAARO OC1(c2ccccn2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000670465115 541005841 /nfs/dbraw/zinc/00/58/41/541005841.db2.gz QYRGKKLDHDZNSC-UHFFFAOYSA-N 1 0 294.398 2.532 50 0 CFAARO CCn1cc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000184429639 189386046 /nfs/dbraw/zinc/38/60/46/189386046.db2.gz FJYFVONCNYBCRZ-MHEUCROKSA-N 1 0 275.396 2.511 50 0 CFAARO O[C@H](CN1CCOc2ccccc2C1)c1ccccc1F ZINC000076547919 541319188 /nfs/dbraw/zinc/31/91/88/541319188.db2.gz MAMLHAJGJYQOOF-MRXNPFEDSA-N 1 0 287.334 2.754 50 0 CFAARO O[C@@H](CN1CCOc2ccccc2C1)c1ccccc1F ZINC000076547915 541319558 /nfs/dbraw/zinc/31/95/58/541319558.db2.gz MAMLHAJGJYQOOF-INIZCTEOSA-N 1 0 287.334 2.754 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000000064556 371521920 /nfs/dbraw/zinc/52/19/20/371521920.db2.gz NOWUDYBBYBIBDD-OAHLLOKOSA-N 1 0 263.381 2.529 50 0 CFAARO C[NH+](C)CCOC(=O)C1(c2ccccc2)CCCC1 ZINC000000168965 371547970 /nfs/dbraw/zinc/54/79/70/371547970.db2.gz VZAZOXVEMAUMLH-UHFFFAOYSA-N 1 0 261.365 2.603 50 0 CFAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCCCCC1 ZINC000000212457 371558824 /nfs/dbraw/zinc/55/88/24/371558824.db2.gz WORFDAODWCDIGJ-HNNXBMFYSA-N 1 0 290.407 2.894 50 0 CFAARO CCN1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000000213540 371559011 /nfs/dbraw/zinc/55/90/11/371559011.db2.gz FRXTVKMLTMOUJU-LBPRGKRZSA-N 1 0 250.361 2.961 50 0 CFAARO CSc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000000209276 371559829 /nfs/dbraw/zinc/55/98/29/371559829.db2.gz NTLYPZWLTBQOIX-ZDUSSCGKSA-N 1 0 251.395 2.613 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000000214435 371560530 /nfs/dbraw/zinc/56/05/30/371560530.db2.gz NCTQOYKZQROFFX-CQSZACIVSA-N 1 0 278.396 2.668 50 0 CFAARO COC[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000000228085 371562800 /nfs/dbraw/zinc/56/28/00/371562800.db2.gz ANRZOKKUGCVPCU-VIFPVBQESA-N 1 0 258.159 2.574 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000000239713 371565929 /nfs/dbraw/zinc/56/59/29/371565929.db2.gz WKVNJYXAQPCQQT-ZDUSSCGKSA-N 1 0 280.437 2.829 50 0 CFAARO Cc1cn2c3ccccc3n(CC[NH+]3CCCC3)c2n1 ZINC000000241469 371565950 /nfs/dbraw/zinc/56/59/50/371565950.db2.gz DCNLJZCTLYSANC-UHFFFAOYSA-N 1 0 268.364 2.693 50 0 CFAARO CC[C@@]1(C)N(O)C(C)(C)C(c2ccc(OC)cc2)[N+]1=O ZINC000000269119 371573004 /nfs/dbraw/zinc/57/30/04/371573004.db2.gz NFUGMFDXKUUIQJ-OAHLLOKOSA-N 1 0 278.352 2.604 50 0 CFAARO CCCN(CCC)c1nc(N)[nH+]c(N(CCC)CCC)n1 ZINC000000270578 371574207 /nfs/dbraw/zinc/57/42/07/371574207.db2.gz CFVGQIHNTGVCRQ-UHFFFAOYSA-N 1 0 294.447 2.707 50 0 CFAARO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2OC)cc1 ZINC000000292698 371579356 /nfs/dbraw/zinc/57/93/56/371579356.db2.gz KGOUXTPCLRWHSH-JKSUJKDBSA-N 1 0 263.381 2.785 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1cc(Br)ccc1OC ZINC000000292784 371579878 /nfs/dbraw/zinc/57/98/78/371579878.db2.gz NXIASJWGKWHGDA-SECBINFHSA-N 1 0 288.185 2.582 50 0 CFAARO CCN(CC)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000000299282 371581312 /nfs/dbraw/zinc/58/13/12/371581312.db2.gz IFSTVMDAIPQRQV-UHFFFAOYSA-N 1 0 274.408 2.767 50 0 CFAARO CC1(C)CC(NC(=O)c2cccs2)CC(C)(C)[NH2+]1 ZINC000000296414 371582106 /nfs/dbraw/zinc/58/21/06/371582106.db2.gz GNVJZJIQXQPTTO-UHFFFAOYSA-N 1 0 266.410 2.787 50 0 CFAARO COc1cc(CC[NH3+])ccc1OCc1ccccc1 ZINC000000391540 371604052 /nfs/dbraw/zinc/60/40/52/371604052.db2.gz GLMWLELOJCRYRI-UHFFFAOYSA-N 1 0 257.333 2.775 50 0 in-vitro CFAARO Cn1c2[n+](c3ccc(Cl)cc3c1=O)Cc1ccccc1-2 ZINC000000507572 371632103 /nfs/dbraw/zinc/63/21/03/371632103.db2.gz QSDQZBRGKBCLAM-UHFFFAOYSA-N 1 0 283.738 2.508 50 0 CFAARO C[NH+](C)CCNc1ncnc2sc3c(c21)CCCC3 ZINC000000527935 371635103 /nfs/dbraw/zinc/63/51/03/371635103.db2.gz DWNUMNFKLBVUQZ-UHFFFAOYSA-N 1 0 276.409 2.544 50 0 CFAARO O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000000567957 371640747 /nfs/dbraw/zinc/64/07/47/371640747.db2.gz PTKOMVIMQJNZFY-OAHLLOKOSA-N 1 0 283.799 2.703 50 0 CFAARO CC1=C(CC[NH+]2CCN(C=O)CC2)C(C)(C)CCC1 ZINC000000757234 371646476 /nfs/dbraw/zinc/64/64/76/371646476.db2.gz ZRNPAIZFVCSVJD-UHFFFAOYSA-N 1 0 264.413 2.677 50 0 CFAARO O=C(c1cccs1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000000976497 371654540 /nfs/dbraw/zinc/65/45/40/371654540.db2.gz DARNJDCRLQWJII-BFHYXJOUSA-N 1 0 290.432 2.695 50 0 CFAARO COc1ccc(CNc2cc[nH+]cc2)c(OC)c1OC ZINC000002184726 371719032 /nfs/dbraw/zinc/71/90/32/371719032.db2.gz MDLNUGWLZDAAKR-UHFFFAOYSA-N 1 0 274.320 2.720 50 0 CFAARO CC(C)=CCC[C@H](C)CC[NH+]1CCC(C(N)=O)CC1 ZINC000002498576 371729879 /nfs/dbraw/zinc/72/98/79/371729879.db2.gz DVOASVJVXRISMV-AWEZNQCLSA-N 1 0 266.429 2.956 50 0 CFAARO COc1ccc(CC[NH2+]Cc2ccc(C)o2)cc1OC ZINC000002523001 371731239 /nfs/dbraw/zinc/73/12/39/371731239.db2.gz WUBZVWLDMUDMRL-UHFFFAOYSA-N 1 0 275.348 2.938 50 0 CFAARO OCC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000002513547 371731861 /nfs/dbraw/zinc/73/18/61/371731861.db2.gz GEFUGGQLCNKIQP-UHFFFAOYSA-N 1 0 253.345 2.700 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000002527167 371732857 /nfs/dbraw/zinc/73/28/57/371732857.db2.gz NNZQFZSKWUWNIS-UHFFFAOYSA-N 1 0 268.401 2.918 50 0 CFAARO O=C(c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000002527189 371733430 /nfs/dbraw/zinc/73/34/30/371733430.db2.gz NVAKSNKROARJQQ-UHFFFAOYSA-N 1 0 268.154 2.631 50 0 CFAARO COc1cccc(C[C@@H]([NH3+])c2cccc(OC)c2)c1 ZINC000001634063 371689994 /nfs/dbraw/zinc/68/99/94/371689994.db2.gz AZKRQENWCLQWEE-MRXNPFEDSA-N 1 0 257.333 2.946 50 0 CFAARO CC[NH+](CC)CCS[C@H](CO)c1ccccc1 ZINC000001649089 371691267 /nfs/dbraw/zinc/69/12/67/371691267.db2.gz KSZSOJBYBCMHAM-CQSZACIVSA-N 1 0 253.411 2.795 50 0 CFAARO OCC[NH2+]CCCCOc1ccc2ccccc2c1 ZINC000002903610 371764339 /nfs/dbraw/zinc/76/43/39/371764339.db2.gz LLULTJXPMWUQQQ-UHFFFAOYSA-N 1 0 259.349 2.581 50 0 CFAARO CC(C)[NH2+]CCOc1cccc(Br)c1 ZINC000003000690 371768669 /nfs/dbraw/zinc/76/86/69/371768669.db2.gz GRDSXSWHXIXWGD-UHFFFAOYSA-N 1 0 258.159 2.826 50 0 CFAARO OCC[NH2+]CCCCSc1ccc(Cl)cc1 ZINC000003001299 371769325 /nfs/dbraw/zinc/76/93/25/371769325.db2.gz GEHZVCJWWCYKRJ-UHFFFAOYSA-N 1 0 259.802 2.794 50 0 CFAARO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)o1 ZINC000003349148 371792864 /nfs/dbraw/zinc/79/28/64/371792864.db2.gz DMDSGIQLQYZPAJ-UHFFFAOYSA-N 1 0 264.369 2.582 50 0 CFAARO Ic1cccc([C@H]2CCC[NH2+]2)c1 ZINC000003732252 371815247 /nfs/dbraw/zinc/81/52/47/371815247.db2.gz GOTZSBYCEAUXCK-SNVBAGLBSA-N 1 0 273.117 2.716 50 0 CFAARO COc1ccccc1C(=O)O[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000003901935 371823829 /nfs/dbraw/zinc/82/38/29/371823829.db2.gz KTZCSPSWFXRDPE-XUJVJEKNSA-N 1 0 277.364 2.581 50 0 CFAARO CC[NH+](CC)CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004020997 371828825 /nfs/dbraw/zinc/82/88/25/371828825.db2.gz ZCWPLFSPERUBNW-UHFFFAOYSA-N 1 0 278.440 2.661 50 0 CFAARO Brc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000004657487 371870265 /nfs/dbraw/zinc/87/02/65/371870265.db2.gz MODSMIPXXVAJJP-LBPRGKRZSA-N 1 0 270.170 2.718 50 0 CFAARO CC[NH+]1CCN(c2ncnc3c2[nH]c2cccc(C)c23)CC1 ZINC000005177984 371879723 /nfs/dbraw/zinc/87/97/23/371879723.db2.gz WNGBSCZICXLBLG-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO CC[NH+]1CCN(c2cc(-c3ccccc3)nc(C)n2)CC1 ZINC000012016459 371941354 /nfs/dbraw/zinc/94/13/54/371941354.db2.gz ULRGWAXIVWOFBI-UHFFFAOYSA-N 1 0 282.391 2.594 50 0 CFAARO CC[NH+](CC)C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000007636268 371895862 /nfs/dbraw/zinc/89/58/62/371895862.db2.gz SDCBAWHKCZPHDW-LESVLKBLSA-N 1 0 295.467 2.922 50 0 CFAARO Clc1cc(N2CC[NH2+]CC2)ccc1Br ZINC000008418101 371897780 /nfs/dbraw/zinc/89/77/80/371897780.db2.gz CWFQRIWMSHCPIW-UHFFFAOYSA-N 1 0 275.577 2.512 50 0 CFAARO C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000009726176 371902193 /nfs/dbraw/zinc/90/21/93/371902193.db2.gz KLTVDTNXSXVTMH-LLVKDONJSA-N 1 0 291.782 2.580 50 0 CFAARO C[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000009726183 371903023 /nfs/dbraw/zinc/90/30/23/371903023.db2.gz KLTVDTNXSXVTMH-NSHDSACASA-N 1 0 291.782 2.580 50 0 CFAARO Cc1oc(-c2ccsc2)nc1C[N@@H+](CCO)C(C)C ZINC000012076676 371943397 /nfs/dbraw/zinc/94/33/97/371943397.db2.gz IQMZPXJSQTUWSV-UHFFFAOYSA-N 1 0 280.393 2.914 50 0 CFAARO CCOc1ccc(C[NH2+]C(C)(C)CO)cc1Cl ZINC000010473850 371909978 /nfs/dbraw/zinc/90/99/78/371909978.db2.gz UBQOWQXMWHBLFL-UHFFFAOYSA-N 1 0 257.761 2.599 50 0 CFAARO CCOc1c(C[NH2+][C@H](CC)CO)cc(Cl)cc1OC ZINC000010474292 371910549 /nfs/dbraw/zinc/91/05/49/371910549.db2.gz OHVNVFLPPUMCCK-GFCCVEGCSA-N 1 0 287.787 2.608 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000012382499 371957335 /nfs/dbraw/zinc/95/73/35/371957335.db2.gz DFYWQDSXALNIRR-UHFFFAOYSA-N 1 0 274.408 2.608 50 0 CFAARO CC(C)(CO)C[N@@H+]1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000012432526 371963376 /nfs/dbraw/zinc/96/33/76/371963376.db2.gz KXBPOCNAXRGOLG-OAHLLOKOSA-N 1 0 280.387 2.721 50 0 CFAARO CC(C)[NH+]1CCC(CNC(=O)c2ccc(F)c(F)c2)CC1 ZINC000012442776 371964941 /nfs/dbraw/zinc/96/49/41/371964941.db2.gz CFEBOFLQXMALAU-UHFFFAOYSA-N 1 0 296.361 2.815 50 0 CFAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]C1CCOCC1 ZINC000012584839 371976783 /nfs/dbraw/zinc/97/67/83/371976783.db2.gz YJUWPTONQIYXFR-LBPRGKRZSA-N 1 0 298.390 2.677 50 0 CFAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)NCc1ccco1 ZINC000012905563 371996200 /nfs/dbraw/zinc/99/62/00/371996200.db2.gz DMLUTXFSUFMHAK-MRXNPFEDSA-N 1 0 298.386 2.603 50 0 CFAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]CC1CC1 ZINC000012198754 371948625 /nfs/dbraw/zinc/94/86/25/371948625.db2.gz KIJDHRXAAAJDEQ-LLVKDONJSA-N 1 0 268.364 2.908 50 0 CFAARO CC[NH+]1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000012230039 371949534 /nfs/dbraw/zinc/94/95/34/371949534.db2.gz BADIFWZHKQZEEH-UHFFFAOYSA-N 1 0 265.357 2.577 50 0 CFAARO CC(C)CC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000012348324 371952681 /nfs/dbraw/zinc/95/26/81/371952681.db2.gz OUUXPYPOQUETHI-GFCCVEGCSA-N 1 0 254.399 2.513 50 0 CFAARO CC(C)[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013322691 372023217 /nfs/dbraw/zinc/02/32/17/372023217.db2.gz PTIXXDSSHRLWLS-UHFFFAOYSA-N 1 0 281.787 2.898 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2)C1 ZINC000013646378 372037306 /nfs/dbraw/zinc/03/73/06/372037306.db2.gz SYZIZDJYIQBFPP-ZIAGYGMSSA-N 1 0 292.398 2.924 50 0 CFAARO COCCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000013718085 372043456 /nfs/dbraw/zinc/04/34/56/372043456.db2.gz CBLKCDJUXNEZSS-UHFFFAOYSA-N 1 0 259.349 2.975 50 0 CFAARO OCCCCC[NH2+]Cc1cccc(Br)c1 ZINC000013726934 372045067 /nfs/dbraw/zinc/04/50/67/372045067.db2.gz ZKABTKXASQYEIB-UHFFFAOYSA-N 1 0 272.186 2.701 50 0 CFAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(F)c1 ZINC000013062761 372013396 /nfs/dbraw/zinc/01/33/96/372013396.db2.gz YISNEKHTGZONIZ-UHFFFAOYSA-N 1 0 250.317 2.640 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(CC)s2)CC1 ZINC000016604300 372112964 /nfs/dbraw/zinc/11/29/64/372112964.db2.gz LHJPLJCURXBQPF-UHFFFAOYSA-N 1 0 280.437 2.915 50 0 CFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000016603840 372113151 /nfs/dbraw/zinc/11/31/51/372113151.db2.gz YPHNUACSXFIHJS-UHFFFAOYSA-N 1 0 286.419 2.957 50 0 CFAARO CCC[NH+]1CCC(NC(=O)CSc2ccccc2)CC1 ZINC000016603682 372113447 /nfs/dbraw/zinc/11/34/47/372113447.db2.gz HYSCPCBQPDEPLR-UHFFFAOYSA-N 1 0 292.448 2.769 50 0 CFAARO Cc1occc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000016604875 372113458 /nfs/dbraw/zinc/11/34/58/372113458.db2.gz DPPOGXVYUDDWAH-UHFFFAOYSA-N 1 0 276.380 2.679 50 0 CFAARO CCc1ccc(C(=O)NCC[NH+]2CCCCC2)s1 ZINC000016605856 372113496 /nfs/dbraw/zinc/11/34/96/372113496.db2.gz HRHQOGOSPPXPLZ-UHFFFAOYSA-N 1 0 266.410 2.526 50 0 CFAARO C[N@H+](CC(=O)NCc1ccco1)[C@@H]1CCCc2ccccc21 ZINC000016694526 372117726 /nfs/dbraw/zinc/11/77/26/372117726.db2.gz BBJVFLNPYONBKP-QGZVFWFLSA-N 1 0 298.386 2.905 50 0 CFAARO NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCCc1ccccc1 ZINC000014286740 372067628 /nfs/dbraw/zinc/06/76/28/372067628.db2.gz QHCAUXWNQXEWDE-SFHVURJKSA-N 1 0 294.398 2.531 50 0 CFAARO C[NH+](C)CCCOc1ccc(N)cc1C(F)(F)F ZINC000014630174 372070925 /nfs/dbraw/zinc/07/09/25/372070925.db2.gz XOSZHPCKXMQHPW-UHFFFAOYSA-N 1 0 262.275 2.618 50 0 CFAARO COC(=O)c1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000014968991 372076554 /nfs/dbraw/zinc/07/65/54/372076554.db2.gz GYQMTMSBNJZUSY-INIZCTEOSA-N 1 0 297.354 2.567 50 0 CFAARO CC(C)c1c[nH]nc1[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000015007273 372076749 /nfs/dbraw/zinc/07/67/49/372076749.db2.gz GRCPYWJBEBTIHH-ZDUSSCGKSA-N 1 0 277.412 2.892 50 0 CFAARO O=C1C[C@@H]([NH2+]C2CCCC2)CN1CCCc1ccccc1 ZINC000015073500 372078342 /nfs/dbraw/zinc/07/83/42/372078342.db2.gz DFGLZOIVRKVZMP-QGZVFWFLSA-N 1 0 286.419 2.752 50 0 CFAARO c1[nH]c(-c2ccccc2)nc1CN1CC[NH+](CC2CC2)CC1 ZINC000019224600 372151844 /nfs/dbraw/zinc/15/18/44/372151844.db2.gz KCSJTXXHIYCMSI-UHFFFAOYSA-N 1 0 296.418 2.604 50 0 CFAARO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH2+]CC2)cc1 ZINC000019363656 372155813 /nfs/dbraw/zinc/15/58/13/372155813.db2.gz TTXIFFYPVGWLSE-UHFFFAOYSA-N 1 0 288.341 2.959 50 0 CFAARO [NH3+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019504351 372170075 /nfs/dbraw/zinc/17/00/75/372170075.db2.gz BGXWETBTBPDHLX-UHFFFAOYSA-N 1 0 258.287 2.629 50 0 CFAARO C[N@@H+]1CCCN(Cc2cc(Br)cs2)CC1 ZINC000019536384 372173584 /nfs/dbraw/zinc/17/35/84/372173584.db2.gz QUQSTBRSZGRGBT-UHFFFAOYSA-N 1 0 289.242 2.648 50 0 CFAARO Cc1cccc(OCCCCC[NH+]2CCOCC2)c1 ZINC000019595533 372175452 /nfs/dbraw/zinc/17/54/52/372175452.db2.gz FUGRMCXXHCFXEH-UHFFFAOYSA-N 1 0 263.381 2.876 50 0 CFAARO COc1ccc(CC[N@H+](C)Cc2ccncc2)cc1OC ZINC000019632661 372177934 /nfs/dbraw/zinc/17/79/34/372177934.db2.gz DLJDBOHKUOFCDL-UHFFFAOYSA-N 1 0 286.375 2.773 50 0 CFAARO C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000019607536 372178631 /nfs/dbraw/zinc/17/86/31/372178631.db2.gz GYEFZEZEZZBQAP-INIZCTEOSA-N 1 0 272.392 2.721 50 0 CFAARO CSc1cccc(C[NH2+]CCCn2ccnc2)c1 ZINC000016990215 372122783 /nfs/dbraw/zinc/12/27/83/372122783.db2.gz CXTGVTAIOIDPAE-UHFFFAOYSA-N 1 0 261.394 2.785 50 0 CFAARO CCN(CC)CC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000019919423 372210094 /nfs/dbraw/zinc/21/00/94/372210094.db2.gz SICMIVLHEZLVAJ-CYBMUJFWSA-N 1 0 250.386 2.688 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccn1 ZINC000019957614 372213825 /nfs/dbraw/zinc/21/38/25/372213825.db2.gz COOCCLIAOZQIJD-CYBMUJFWSA-N 1 0 256.349 2.898 50 0 CFAARO CCC12CN3CC(CC)(C[NH+](C1)C3C1CCCCC1)C2=O ZINC000021785740 372241813 /nfs/dbraw/zinc/24/18/13/372241813.db2.gz WANSWQGWPYEABC-UHFFFAOYSA-N 1 0 290.451 2.900 50 0 CFAARO c1ccc(N2CCN([C@H]3CCC[N@@H+](C4CCC4)C3)CC2)cc1 ZINC000020908666 372241902 /nfs/dbraw/zinc/24/19/02/372241902.db2.gz AVCCESFBTCKRGF-IBGZPJMESA-N 1 0 299.462 2.826 50 0 CFAARO COc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000020019035 372219308 /nfs/dbraw/zinc/21/93/08/372219308.db2.gz VGKFNOOAARUPIM-UHFFFAOYSA-N 1 0 271.360 2.690 50 0 CFAARO CC(C)C[NH2+][C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000019990163 372219711 /nfs/dbraw/zinc/21/97/11/372219711.db2.gz FOUVEFZJBORYFX-HNNXBMFYSA-N 1 0 288.391 2.688 50 0 CFAARO C[NH+](C)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000020002049 372219727 /nfs/dbraw/zinc/21/97/27/372219727.db2.gz LYJZRZUXTOGUEN-UHFFFAOYSA-N 1 0 267.682 2.727 50 0 CFAARO Fc1ccc(OC2CC[NH+](CCn3ccnc3)CC2)cc1 ZINC000019795279 372188711 /nfs/dbraw/zinc/18/87/11/372188711.db2.gz BFKHSYFQZYPTTM-UHFFFAOYSA-N 1 0 289.354 2.566 50 0 CFAARO COCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019881284 372202364 /nfs/dbraw/zinc/20/23/64/372202364.db2.gz UAWNTOPHFQARPN-SECBINFHSA-N 1 0 258.159 2.746 50 0 CFAARO CC(C)Oc1ccc(CN2CC[NH2+]CC2)cc1Cl ZINC000019894098 372203760 /nfs/dbraw/zinc/20/37/60/372203760.db2.gz WEWLHDCRCZQMAX-UHFFFAOYSA-N 1 0 268.788 2.532 50 0 CFAARO c1cc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)ccn1 ZINC000019900020 372204599 /nfs/dbraw/zinc/20/45/99/372204599.db2.gz VDWASQMZICMZDW-MRXNPFEDSA-N 1 0 271.408 2.556 50 0 CFAARO COC[C@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000019904305 372206145 /nfs/dbraw/zinc/20/61/45/372206145.db2.gz YDUMBBJWUHLIPT-QMMMGPOBSA-N 1 0 276.149 2.713 50 0 CFAARO C[NH+](C)CCN1C[C@@H]2CCc3[nH]c4ccccc4c3[C@@H]2C1 ZINC000022023368 372243408 /nfs/dbraw/zinc/24/34/08/372243408.db2.gz XRNHNPCQILWJPN-DZGCQCFKSA-N 1 0 283.419 2.691 50 0 CFAARO COc1cc(C)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000023114856 372250152 /nfs/dbraw/zinc/25/01/52/372250152.db2.gz DQBLKCCPEBLPCS-KBPBESRZSA-N 1 0 263.381 2.921 50 0 CFAARO Cc1cc(C)c(C(=O)NCC2CC[NH+](C)CC2)c(C)c1 ZINC000023013760 372250275 /nfs/dbraw/zinc/25/02/75/372250275.db2.gz YKFUAYONQUUOES-UHFFFAOYSA-N 1 0 274.408 2.683 50 0 CFAARO CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000023253917 372256093 /nfs/dbraw/zinc/25/60/93/372256093.db2.gz RJSXFIWPOWEOJX-UHFFFAOYSA-N 1 0 256.752 2.617 50 0 CFAARO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000023281283 372256371 /nfs/dbraw/zinc/25/63/71/372256371.db2.gz QEMBANSDAFYAQF-CQSZACIVSA-N 1 0 298.386 2.546 50 0 CFAARO C[NH+](C)Cc1ccc(CNC(=O)c2cc(Cl)c[nH]2)cc1 ZINC000024067387 372271460 /nfs/dbraw/zinc/27/14/60/372271460.db2.gz OGWZJOIEBLTPKY-UHFFFAOYSA-N 1 0 291.782 2.660 50 0 CFAARO CCOCCC[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000024986331 372284994 /nfs/dbraw/zinc/28/49/94/372284994.db2.gz GXMXXIGHWGNAAV-UHFFFAOYSA-N 1 0 289.379 2.602 50 0 CFAARO C[C@H](CNC(=O)[C@H]1CC=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025632470 372305085 /nfs/dbraw/zinc/30/50/85/372305085.db2.gz QLKATBRDSZLUFA-WBVHZDCISA-N 1 0 298.430 2.906 50 0 CFAARO COc1ccc(Cl)c2sc(NCC[NH+](C)C)nc21 ZINC000026424117 372319478 /nfs/dbraw/zinc/31/94/78/372319478.db2.gz PCWSQHKZUUMQFN-UHFFFAOYSA-N 1 0 285.800 2.932 50 0 CFAARO Cc1cc(C)nc(NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000026719865 372327579 /nfs/dbraw/zinc/32/75/79/372327579.db2.gz YGRJOOKTRNUCAV-ZDUSSCGKSA-N 1 0 276.409 2.870 50 0 CFAARO CCc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000027348541 372338873 /nfs/dbraw/zinc/33/88/73/372338873.db2.gz CZPJPYSZPMIMHQ-UHFFFAOYSA-N 1 0 282.387 2.980 50 0 CFAARO Cc1ccc([C@H](CNC(=O)C(C)C)[NH+]2CCCC2)cc1 ZINC000027793077 372348214 /nfs/dbraw/zinc/34/82/14/372348214.db2.gz DNWOUQITWCLQTC-INIZCTEOSA-N 1 0 274.408 2.904 50 0 CFAARO Cc1ccc([C@@H](CNC(=O)C(C)C)[NH+]2CCCC2)cc1 ZINC000027793074 372348437 /nfs/dbraw/zinc/34/84/37/372348437.db2.gz DNWOUQITWCLQTC-MRXNPFEDSA-N 1 0 274.408 2.904 50 0 CFAARO C[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)N1CCCC1 ZINC000030902895 372401199 /nfs/dbraw/zinc/40/11/99/372401199.db2.gz WLUXHZCTMJCKFG-LBPRGKRZSA-N 1 0 290.436 2.712 50 0 CFAARO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031543657 372412012 /nfs/dbraw/zinc/41/20/12/372412012.db2.gz HMOSOLYBBHMKNX-HNNXBMFYSA-N 1 0 274.408 2.813 50 0 CFAARO [NH3+]CCC(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000032111385 372428668 /nfs/dbraw/zinc/42/86/68/372428668.db2.gz BUJVLYUJXGVMDX-UHFFFAOYSA-N 1 0 260.381 2.697 50 0 CFAARO C[C@H]([NH2+]C[C@@H](O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000032130759 372430643 /nfs/dbraw/zinc/43/06/43/372430643.db2.gz NLCJBDQRNTWMRV-SWLSCSKDSA-N 1 0 285.343 2.800 50 0 CFAARO CCC(CC)[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000032537318 372443339 /nfs/dbraw/zinc/44/33/39/372443339.db2.gz VFNKGIUJSMNACF-HNNXBMFYSA-N 1 0 265.397 2.821 50 0 CFAARO CC(=O)Nc1cccc(-c2cc(C[NH3+])ccc2F)c1 ZINC000032561891 372445569 /nfs/dbraw/zinc/44/55/69/372445569.db2.gz SQDIYVHNYXAVFG-UHFFFAOYSA-N 1 0 258.296 2.910 50 0 CFAARO Cc1cccc2c(=O)n(CC[C@H]3CCCC[N@H+]3C)cnc12 ZINC000032592961 372447049 /nfs/dbraw/zinc/44/70/49/372447049.db2.gz OGPJTAZBRIUVHR-CQSZACIVSA-N 1 0 285.391 2.579 50 0 CFAARO Cc1ccc(O)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000032741401 372457005 /nfs/dbraw/zinc/45/70/05/372457005.db2.gz ZAOADBDKNDPGKP-UHFFFAOYSA-N 1 0 298.386 2.692 50 0 CFAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccoc1 ZINC000032762164 372460789 /nfs/dbraw/zinc/46/07/89/372460789.db2.gz ZXNYSJHHSODFKI-ZDUSSCGKSA-N 1 0 290.388 2.908 50 0 CFAARO C[N@H+](CCOC(=O)/C=C\c1ccco1)C(C)(C)C ZINC000033417536 372492340 /nfs/dbraw/zinc/49/23/40/372492340.db2.gz ISVFMURJLARZKZ-FPLPWBNLSA-N 1 0 251.326 2.566 50 0 CFAARO Cc1cccc(COc2cccc(C[NH2+]CCO)c2)c1 ZINC000033440397 372493516 /nfs/dbraw/zinc/49/35/16/372493516.db2.gz UVKLYWGBDSONLR-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO COc1cccc(C[NH+]2CCC(Nc3ncccn3)CC2)c1 ZINC000033873018 372502315 /nfs/dbraw/zinc/50/23/15/372502315.db2.gz HQOFNCDZEHAZSH-UHFFFAOYSA-N 1 0 298.390 2.562 50 0 CFAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)CC ZINC000036095976 372559274 /nfs/dbraw/zinc/55/92/74/372559274.db2.gz XHQNUEFDWSLFPY-AWEZNQCLSA-N 1 0 281.396 2.687 50 0 CFAARO CCc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000036398689 372580592 /nfs/dbraw/zinc/58/05/92/372580592.db2.gz MFJHWSGGACIUQY-HOCLYGCPSA-N 1 0 277.408 2.721 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000036408638 372580921 /nfs/dbraw/zinc/58/09/21/372580921.db2.gz HOTLIFUDQTYBKZ-CVEARBPZSA-N 1 0 277.408 2.918 50 0 CFAARO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1cccc(Cl)c1 ZINC000036781601 372594170 /nfs/dbraw/zinc/59/41/70/372594170.db2.gz TZZXMPIQPSGBSG-CYBMUJFWSA-N 1 0 268.788 2.905 50 0 CFAARO Cc1nc(C[NH2+]C2CCN(c3ccccn3)CC2)cs1 ZINC000036932231 372612322 /nfs/dbraw/zinc/61/23/22/372612322.db2.gz RHLITGPDUFCDFP-UHFFFAOYSA-N 1 0 288.420 2.605 50 0 CFAARO C[C@H](Cc1cccs1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000037021034 372635685 /nfs/dbraw/zinc/63/56/85/372635685.db2.gz WBUJCBOUJCGIRH-DOMZBBRYSA-N 1 0 288.416 2.885 50 0 CFAARO CC[C@H]([NH3+])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037041371 372641796 /nfs/dbraw/zinc/64/17/96/372641796.db2.gz BTIPUAZRSCRWLS-JTQLQIEISA-N 1 0 261.325 2.627 50 0 CFAARO CC(C)[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCCO3)c[nH]1 ZINC000036876991 372606047 /nfs/dbraw/zinc/60/60/47/372606047.db2.gz IGAYKSMCETWQOG-AWEZNQCLSA-N 1 0 273.336 2.504 50 0 CFAARO O=C(Nc1cccc(-c2nccs2)c1)[C@@H]1CCC[NH2+]1 ZINC000037767624 372701615 /nfs/dbraw/zinc/70/16/15/372701615.db2.gz UUEQRQDWMOJKET-LBPRGKRZSA-N 1 0 273.361 2.501 50 0 CFAARO COCC[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038001598 372757541 /nfs/dbraw/zinc/75/75/41/372757541.db2.gz OOGFOQUPBQXTOF-SSDOTTSWSA-N 1 0 264.188 2.808 50 0 CFAARO CC(C)=CC[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000040002647 372780058 /nfs/dbraw/zinc/78/00/58/372780058.db2.gz ONPCTWPAIGFHDT-UHFFFAOYSA-N 1 0 288.439 2.997 50 0 CFAARO [NH3+]C1(c2noc(-c3cccnc3)n2)CCCCCC1 ZINC000041155532 372822089 /nfs/dbraw/zinc/82/20/89/372822089.db2.gz OYYAOGBRHXGEQD-UHFFFAOYSA-N 1 0 258.325 2.640 50 0 CFAARO O=c1cc(C[NH+]2CCCCCC2)nc(-c2ccccc2)[nH]1 ZINC000041649096 372854406 /nfs/dbraw/zinc/85/44/06/372854406.db2.gz UGWOIPRIVYGQEZ-UHFFFAOYSA-N 1 0 283.375 2.813 50 0 CFAARO C[C@@H](CNC(=O)c1cc(Cl)ccc1F)[NH+]1CCCC1 ZINC000042505480 372929066 /nfs/dbraw/zinc/92/90/66/372929066.db2.gz DEMAJIHEVKYNAH-JTQLQIEISA-N 1 0 284.762 2.693 50 0 CFAARO Brc1cccc(OCC[C@H]2CCCC[NH2+]2)n1 ZINC000042774184 372953432 /nfs/dbraw/zinc/95/34/32/372953432.db2.gz XZIJBQKZBFNWGX-SNVBAGLBSA-N 1 0 285.185 2.755 50 0 CFAARO CCOC(=O)c1cccc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042772766 372954514 /nfs/dbraw/zinc/95/45/14/372954514.db2.gz JQRKYLNNHKIBFI-ZDUSSCGKSA-N 1 0 277.364 2.632 50 0 CFAARO CCc1cc(Br)ccc1O[C@H]1CC[NH2+]C1 ZINC000042774399 372954759 /nfs/dbraw/zinc/95/47/59/372954759.db2.gz FFRVELDCNVEDRE-NSHDSACASA-N 1 0 270.170 2.752 50 0 CFAARO FC(F)Oc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000044683856 373007609 /nfs/dbraw/zinc/00/76/09/373007609.db2.gz XQAYWPNGIGSDFQ-GFCCVEGCSA-N 1 0 282.334 2.614 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccccn2)C1 ZINC000047038440 373076253 /nfs/dbraw/zinc/07/62/53/373076253.db2.gz JRGFPHIXLLOLDS-HUUCEWRRSA-N 1 0 289.423 2.570 50 0 CFAARO Cc1ncc(C[N@H+](C)CCOc2ccccc2)s1 ZINC000047259462 373084413 /nfs/dbraw/zinc/08/44/13/373084413.db2.gz LNPVMJMJOKGETQ-UHFFFAOYSA-N 1 0 262.378 2.962 50 0 CFAARO Cc1ncsc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048268712 373156156 /nfs/dbraw/zinc/15/61/56/373156156.db2.gz KGLPYITZQDNVDT-TXEJJXNPSA-N 1 0 295.452 2.549 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)CC(C)(C)C)c1cccs1 ZINC000048325747 373163818 /nfs/dbraw/zinc/16/38/18/373163818.db2.gz ZUWKPSONZUFBQR-LLVKDONJSA-N 1 0 268.426 2.903 50 0 CFAARO CCCc1noc(CN2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000048343454 373165585 /nfs/dbraw/zinc/16/55/85/373165585.db2.gz FCLCBYUXWHFTPA-UHFFFAOYSA-N 1 0 294.443 2.576 50 0 CFAARO c1cc2c(ncnc2N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000048336867 373165994 /nfs/dbraw/zinc/16/59/94/373165994.db2.gz VPYOQVZCKRQYCW-VXGBXAGGSA-N 1 0 274.393 2.730 50 0 CFAARO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000048838688 373223808 /nfs/dbraw/zinc/22/38/08/373223808.db2.gz SABOCTHHVHSSDB-JTQLQIEISA-N 1 0 266.772 2.598 50 0 CFAARO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048614559 373208497 /nfs/dbraw/zinc/20/84/97/373208497.db2.gz VFLYNYHINWGPMG-KKUMJFAQSA-N 1 0 266.429 2.611 50 0 CFAARO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000050025428 373340143 /nfs/dbraw/zinc/34/01/43/373340143.db2.gz BCISUUWLZAPBNW-MRXNPFEDSA-N 1 0 295.386 2.993 50 0 CFAARO [NH3+][C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000050227811 373364509 /nfs/dbraw/zinc/36/45/09/373364509.db2.gz NZVSWPFFBLBRJP-KRWDZBQOSA-N 1 0 252.361 2.887 50 0 CFAARO CCc1nc(C)c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000050579690 373380696 /nfs/dbraw/zinc/38/06/96/373380696.db2.gz CDEYQDDGWBEJLT-LLVKDONJSA-N 1 0 295.452 2.618 50 0 CFAARO CCc1nc(C)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000050579687 373382266 /nfs/dbraw/zinc/38/22/66/373382266.db2.gz CDEYQDDGWBEJLT-NSHDSACASA-N 1 0 295.452 2.618 50 0 CFAARO CCC[N@H+](CCn1c2ccccc2oc1=O)CC1CC1 ZINC000051281338 373391749 /nfs/dbraw/zinc/39/17/49/373391749.db2.gz YBKAWYKLGPGYET-UHFFFAOYSA-N 1 0 274.364 2.717 50 0 CFAARO CCC1CC[NH+](CCn2c3ccccc3oc2=O)CC1 ZINC000052280217 373442673 /nfs/dbraw/zinc/44/26/73/373442673.db2.gz YGVYMEDZSCPCFA-UHFFFAOYSA-N 1 0 274.364 2.717 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000053202267 373469894 /nfs/dbraw/zinc/46/98/94/373469894.db2.gz GKNTUIHFYICTEL-SNVBAGLBSA-N 1 0 287.190 2.817 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000053202020 373470085 /nfs/dbraw/zinc/47/00/85/373470085.db2.gz YRQZBTXVSRQQSK-GFCCVEGCSA-N 1 0 274.389 2.725 50 0 CFAARO CC[N@@H+](Cc1cccc(F)c1F)C[C@H]1CCOC1 ZINC000052071032 373434967 /nfs/dbraw/zinc/43/49/67/373434967.db2.gz QNBQFERVBUCXQR-LLVKDONJSA-N 1 0 255.308 2.823 50 0 CFAARO Cc1ccsc1C[N@@H+](C)CCCc1cnn(C)c1 ZINC000054315727 373517228 /nfs/dbraw/zinc/51/72/28/373517228.db2.gz MHGPDANZYDSQBT-UHFFFAOYSA-N 1 0 263.410 2.855 50 0 CFAARO Cc1cc(CN2CC[NH+](CCCc3ccccc3)CC2)on1 ZINC000053906663 373489128 /nfs/dbraw/zinc/48/91/28/373489128.db2.gz IVMFZJOSIPWFTE-UHFFFAOYSA-N 1 0 299.418 2.733 50 0 CFAARO Cn1c(C[NH2+]Cc2ccccc2)nc2ccccc21 ZINC000057234734 373583366 /nfs/dbraw/zinc/58/33/66/373583366.db2.gz BKIQMLXVGKGDCL-UHFFFAOYSA-N 1 0 251.333 2.863 50 0 CFAARO CNc1ncccc1C[N@@H+](Cc1ccccc1)C[C@H](C)CO ZINC000055252736 373546733 /nfs/dbraw/zinc/54/67/33/373546733.db2.gz BDWIPYGYBKNXEA-HNNXBMFYSA-N 1 0 299.418 2.754 50 0 CFAARO CNc1ncccc1C[N@@H+](Cc1ccccc1)C[C@@H](C)CO ZINC000055252739 373547666 /nfs/dbraw/zinc/54/76/66/373547666.db2.gz BDWIPYGYBKNXEA-OAHLLOKOSA-N 1 0 299.418 2.754 50 0 CFAARO C[C@@H]([NH2+]CCC1=CCCCC1)C(=O)NC1CCCC1 ZINC000055422005 373551250 /nfs/dbraw/zinc/55/12/50/373551250.db2.gz QOVAGYXJOGIKPL-CYBMUJFWSA-N 1 0 264.413 2.914 50 0 CFAARO CCc1oc(C(=O)N2CC=CC2)cc1C[NH+](CC)CC ZINC000055413446 373552223 /nfs/dbraw/zinc/55/22/23/373552223.db2.gz UWKMFZZTFNXRCJ-UHFFFAOYSA-N 1 0 276.380 2.696 50 0 CFAARO CCCN(CCC)C(=O)C[NH+]1CCCCCCC1 ZINC000058013802 373622070 /nfs/dbraw/zinc/62/20/70/373622070.db2.gz SMZNSASNDWKWMY-UHFFFAOYSA-N 1 0 254.418 2.901 50 0 CFAARO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000058283042 373640594 /nfs/dbraw/zinc/64/05/94/373640594.db2.gz JWRYWZCCLVWTRM-IRXDYDNUSA-N 1 0 280.371 2.703 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC000058307051 373644798 /nfs/dbraw/zinc/64/47/98/373644798.db2.gz INDQVHVKMFUTKW-GFCCVEGCSA-N 1 0 296.361 2.815 50 0 CFAARO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2s1 ZINC000058391587 373652449 /nfs/dbraw/zinc/65/24/49/373652449.db2.gz SNHAJCRHONSZSF-LBPRGKRZSA-N 1 0 274.389 2.725 50 0 CFAARO Cc1ccccc1OCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065503473 373879860 /nfs/dbraw/zinc/87/98/60/373879860.db2.gz OWBFLXWLIIGYTJ-QGZVFWFLSA-N 1 0 288.435 2.934 50 0 CFAARO C[C@@H](Cc1cccs1)[NH2+]CCC(=O)Nc1nccs1 ZINC000065525923 373882545 /nfs/dbraw/zinc/88/25/45/373882545.db2.gz LAAHIUCEUKVXLL-JTQLQIEISA-N 1 0 295.433 2.754 50 0 CFAARO O=C(NC1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000065515230 373882775 /nfs/dbraw/zinc/88/27/75/373882775.db2.gz AAMLNKQPYZUOAB-OAHLLOKOSA-N 1 0 279.428 2.589 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000065522683 373883113 /nfs/dbraw/zinc/88/31/13/373883113.db2.gz HYWZOJJLPBIAGK-AWEZNQCLSA-N 1 0 291.370 2.670 50 0 CFAARO COC(=O)c1oc(C[N@H+](C)[C@@H](C)C2CC2)cc1C ZINC000065542149 373884509 /nfs/dbraw/zinc/88/45/09/373884509.db2.gz JLSHPDJPJYVXGU-JTQLQIEISA-N 1 0 251.326 2.605 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000065588761 373891696 /nfs/dbraw/zinc/89/16/96/373891696.db2.gz TZILFLZJBLRANG-OAHLLOKOSA-N 1 0 260.381 2.551 50 0 CFAARO C[NH+]1CCC(CCNC(=O)C(C)(C)c2ccccc2)CC1 ZINC000065591223 373891971 /nfs/dbraw/zinc/89/19/71/373891971.db2.gz WHTOCALLJZJRDS-UHFFFAOYSA-N 1 0 288.435 2.812 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC000065610169 373895222 /nfs/dbraw/zinc/89/52/22/373895222.db2.gz BZUFMSXFXYEDPA-HNNXBMFYSA-N 1 0 292.398 2.605 50 0 CFAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](C)c1ccc(C)s1)CN2 ZINC000065623793 373895541 /nfs/dbraw/zinc/89/55/41/373895541.db2.gz FCSNDHOAHPTAEO-QWHCGFSZSA-N 1 0 290.436 2.954 50 0 CFAARO CCc1nnc([C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH]1 ZINC000065286902 373853067 /nfs/dbraw/zinc/85/30/67/373853067.db2.gz PZSYRRJITYLZMJ-LLVKDONJSA-N 1 0 276.409 2.808 50 0 CFAARO CN(Cc1ncc[nH]1)Cc1ccccc1C[NH+]1CCCC1 ZINC000065371451 373859647 /nfs/dbraw/zinc/85/96/47/373859647.db2.gz DXFADSVFTJATJN-UHFFFAOYSA-N 1 0 284.407 2.638 50 0 CFAARO O=C(CC[NH2+]CCC1=CCCCC1)Nc1cccnc1 ZINC000065369753 373859711 /nfs/dbraw/zinc/85/97/11/373859711.db2.gz USWSOEKZQBFSTJ-UHFFFAOYSA-N 1 0 273.380 2.890 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+]CCOc2ccccc2)c(C)c1 ZINC000065380616 373861282 /nfs/dbraw/zinc/86/12/82/373861282.db2.gz GMDWQGZXIAAUHM-UHFFFAOYSA-N 1 0 298.386 2.911 50 0 CFAARO CC[NH+]1CCC(CC(=O)N2C[C@@H]3CC(C)=CC[C@@H]3C2)CC1 ZINC000065374835 373861367 /nfs/dbraw/zinc/86/13/67/373861367.db2.gz NZDJXDNHGRHXFH-SJORKVTESA-N 1 0 290.451 2.923 50 0 CFAARO Cc1nc(CC[NH+]2CCCCC2)n(-c2ccc(F)cc2)n1 ZINC000065397615 373867139 /nfs/dbraw/zinc/86/71/39/373867139.db2.gz DFVZYJUZAAHMAJ-UHFFFAOYSA-N 1 0 288.370 2.743 50 0 CFAARO CC(=O)Nc1ccc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)cc1 ZINC000065419481 373868157 /nfs/dbraw/zinc/86/81/57/373868157.db2.gz BBWGUIMMFKDRME-AWEZNQCLSA-N 1 0 289.423 2.560 50 0 CFAARO Cc1cnn(CCC[NH2+][C@H](C)Cc2ccccc2F)c1 ZINC000065429169 373870608 /nfs/dbraw/zinc/87/06/08/373870608.db2.gz CEDGDSMFRPTVFJ-CQSZACIVSA-N 1 0 275.371 2.942 50 0 CFAARO CC[C@H](C(=O)NCC1=CCC[N@H+](C)C1)c1ccccc1 ZINC000065423577 373870717 /nfs/dbraw/zinc/87/07/17/373870717.db2.gz SVTBXYISUJNTIQ-INIZCTEOSA-N 1 0 272.392 2.558 50 0 CFAARO CC(C)[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1CCC(=O)N1 ZINC000065424077 373870853 /nfs/dbraw/zinc/87/08/53/373870853.db2.gz RLGSJJKDVMYTIU-MRXNPFEDSA-N 1 0 297.402 2.724 50 0 CFAARO CCC[NH+]1CCC(N[C@@H](c2nccn2C)C(C)C)CC1 ZINC000065430724 373871218 /nfs/dbraw/zinc/87/12/18/373871218.db2.gz PHRBFNYZRWGUOW-OAHLLOKOSA-N 1 0 278.444 2.581 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]CCn1nc(C)c(Cl)c1C ZINC000065455896 373872365 /nfs/dbraw/zinc/87/23/65/373872365.db2.gz WUNFYLLHVKQFOI-SNVBAGLBSA-N 1 0 287.835 2.947 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000065461729 373875494 /nfs/dbraw/zinc/87/54/94/373875494.db2.gz ZFSYOKSNQDZKPY-GFCCVEGCSA-N 1 0 261.369 2.628 50 0 CFAARO Cc1cc(C)cc(N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)c1 ZINC000065470399 373875516 /nfs/dbraw/zinc/87/55/16/373875516.db2.gz DRJDKAJKWDHHBE-UHFFFAOYSA-N 1 0 296.418 2.668 50 0 CFAARO Cc1ccc(C[NH2+]CCc2nnc3n2CCCCC3)s1 ZINC000067698118 373994191 /nfs/dbraw/zinc/99/41/91/373994191.db2.gz JQEQXAOLTSBJSV-UHFFFAOYSA-N 1 0 290.436 2.707 50 0 CFAARO CN(C)C(=O)c1ccc(-c2ccc(COCC[NH3+])cc2)cc1 ZINC000067724022 373996361 /nfs/dbraw/zinc/99/63/61/373996361.db2.gz FAWRTRRDTMQGKW-UHFFFAOYSA-N 1 0 298.386 2.531 50 0 CFAARO CCCc1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)on1 ZINC000067790055 374001463 /nfs/dbraw/zinc/00/14/63/374001463.db2.gz UCMPFPDNTBGITH-QGZVFWFLSA-N 1 0 299.418 2.991 50 0 CFAARO CC[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(O)c(C)c2)C1 ZINC000067772300 374001673 /nfs/dbraw/zinc/00/16/73/374001673.db2.gz TZRWMMBZPUCHDK-CQSZACIVSA-N 1 0 290.407 2.552 50 0 CFAARO Cc1c2ccccc2[nH]c1CN(C)C1CC[NH2+]CC1 ZINC000067894421 374012889 /nfs/dbraw/zinc/01/28/89/374012889.db2.gz UGLAEZOCOIRIDF-UHFFFAOYSA-N 1 0 257.381 2.660 50 0 CFAARO CC[C@@H](c1ncnn1C)n1ccnc1-c1ccsc1 ZINC000067975384 374017996 /nfs/dbraw/zinc/01/79/96/374017996.db2.gz VPCUOLOJABODNW-NSHDSACASA-N 1 0 273.365 2.740 50 0 CFAARO Cc1nc(-c2n[nH]c3ccccc32)n(-c2cc[nH+]c(C)c2)n1 ZINC000067540701 373983993 /nfs/dbraw/zinc/98/39/93/373983993.db2.gz FKHFYSIKDJUSFW-UHFFFAOYSA-N 1 0 290.330 2.822 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CC[C@H](CNC(=O)c2occc2C)C1 ZINC000067587312 373985045 /nfs/dbraw/zinc/98/50/45/373985045.db2.gz PLSDIMNUWXPBBU-DTHCKZEYSA-N 1 0 290.407 2.996 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC000067634445 373987270 /nfs/dbraw/zinc/98/72/70/373987270.db2.gz ZWGRFFNKRDUGAO-HNNXBMFYSA-N 1 0 266.429 2.803 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000069661080 374083393 /nfs/dbraw/zinc/08/33/93/374083393.db2.gz WSNYOBKLCDTYEX-CABCVRRESA-N 1 0 264.413 2.652 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069629593 374080562 /nfs/dbraw/zinc/08/05/62/374080562.db2.gz MVQPFYDZQQBHMD-BXUZGUMPSA-N 1 0 290.363 2.978 50 0 CFAARO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCC(=O)N(C)C)c2C1 ZINC000068962952 374043435 /nfs/dbraw/zinc/04/34/35/374043435.db2.gz ZJUNHYPINOXFSD-ZDUSSCGKSA-N 1 0 289.423 2.547 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)cc1F ZINC000069372696 374057239 /nfs/dbraw/zinc/05/72/39/374057239.db2.gz HBGDVFJRLKLZMB-VXGBXAGGSA-N 1 0 277.343 2.770 50 0 CFAARO Cc1cccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)n1 ZINC000069379749 374058086 /nfs/dbraw/zinc/05/80/86/374058086.db2.gz SCXAPLWLZKEYIM-UHFFFAOYSA-N 1 0 297.402 2.594 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@H](C)n2cccn2)cc1OC ZINC000069372122 374058283 /nfs/dbraw/zinc/05/82/83/374058283.db2.gz MYYHEOUBMQKYRX-OLZOCXBDSA-N 1 0 289.379 2.640 50 0 CFAARO CCc1noc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000069414473 374059732 /nfs/dbraw/zinc/05/97/32/374059732.db2.gz SSUJEFGYZHVLSH-AWEZNQCLSA-N 1 0 271.364 2.839 50 0 CFAARO CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1CCOC1 ZINC000069438211 374063940 /nfs/dbraw/zinc/06/39/40/374063940.db2.gz HDSOTXUEMRTLKH-HNNXBMFYSA-N 1 0 285.391 2.731 50 0 CFAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)s1 ZINC000069452739 374064244 /nfs/dbraw/zinc/06/42/44/374064244.db2.gz LQMBJNDMEBHCJP-SECBINFHSA-N 1 0 284.812 2.616 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2c(C)nn(C)c2Cl)c1 ZINC000069458851 374065643 /nfs/dbraw/zinc/06/56/43/374065643.db2.gz YTOQOBKTRGFREL-JQWIXIFHSA-N 1 0 295.818 2.626 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2c(C)nn(C)c2Cl)c1 ZINC000069458848 374066265 /nfs/dbraw/zinc/06/62/65/374066265.db2.gz YTOQOBKTRGFREL-ZYHUDNBSSA-N 1 0 295.818 2.626 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000069463846 374066567 /nfs/dbraw/zinc/06/65/67/374066567.db2.gz BTVNJVYNOLRHNI-CHWSQXEVSA-N 1 0 287.363 2.660 50 0 CFAARO CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000069455269 374066601 /nfs/dbraw/zinc/06/66/01/374066601.db2.gz WXYQDTKNBWQFRW-UHFFFAOYSA-N 1 0 286.828 2.750 50 0 CFAARO Cc1ccc2oc(C(=O)NCC[NH+]3CCCC3)cc2c1 ZINC000069492391 374068290 /nfs/dbraw/zinc/06/82/90/374068290.db2.gz PXSLZNSZQLSAAY-UHFFFAOYSA-N 1 0 272.348 2.567 50 0 CFAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000069529736 374071845 /nfs/dbraw/zinc/07/18/45/374071845.db2.gz WJWQKWFDNBFHGI-LLVKDONJSA-N 1 0 278.783 2.554 50 0 CFAARO CC/C=C(/C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000069527469 374073054 /nfs/dbraw/zinc/07/30/54/374073054.db2.gz HAZVVIPYYAIIJL-AUWJEWJLSA-N 1 0 290.407 2.600 50 0 CFAARO C[C@H](CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)n1cccc1 ZINC000069569052 374074266 /nfs/dbraw/zinc/07/42/66/374074266.db2.gz DWKVCBYVJXQVEZ-PMPSAXMXSA-N 1 0 289.423 2.524 50 0 CFAARO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)N1CCC1 ZINC000069570237 374074857 /nfs/dbraw/zinc/07/48/57/374074857.db2.gz ICXSVNISWMULER-GFCCVEGCSA-N 1 0 280.799 2.955 50 0 CFAARO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069583645 374077211 /nfs/dbraw/zinc/07/72/11/374077211.db2.gz VBVMIHPHFDYCIX-OAHLLOKOSA-N 1 0 285.391 2.724 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000069922053 374109170 /nfs/dbraw/zinc/10/91/70/374109170.db2.gz XMTXBSCSRYHILS-GJZGRUSLSA-N 1 0 294.345 2.664 50 0 CFAARO O=C1CCCN1CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000069900709 374109585 /nfs/dbraw/zinc/10/95/85/374109585.db2.gz FDPCTMZWSHINNV-KRWDZBQOSA-N 1 0 290.382 2.879 50 0 CFAARO C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@@H](C)n1cccn1 ZINC000069951421 374111409 /nfs/dbraw/zinc/11/14/09/374111409.db2.gz VILMUCGSTRUVFM-VXGBXAGGSA-N 1 0 270.336 2.764 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2cc(-c3ccc(C)cc3)no2)c1 ZINC000069979381 374114731 /nfs/dbraw/zinc/11/47/31/374114731.db2.gz XSKHGMUVZIQSDS-UHFFFAOYSA-N 1 0 296.374 2.945 50 0 CFAARO C[C@@H]([NH2+]CCOc1ccccc1F)[C@@H](C)n1cccn1 ZINC000069972413 374114760 /nfs/dbraw/zinc/11/47/60/374114760.db2.gz QURAZRVHPVUBQG-CHWSQXEVSA-N 1 0 277.343 2.640 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000070011007 374114822 /nfs/dbraw/zinc/11/48/22/374114822.db2.gz IZRUSOBGAIFWDV-HZPDHXFCSA-N 1 0 264.413 2.652 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccnc3)C2)n1 ZINC000070020926 374117901 /nfs/dbraw/zinc/11/79/01/374117901.db2.gz IWSXWDNJFXYTTL-XJKSGUPXSA-N 1 0 299.422 2.763 50 0 CFAARO C[N@H+](CC(=O)N1CCC1)Cc1cccc2ccccc21 ZINC000070040127 374118781 /nfs/dbraw/zinc/11/87/81/374118781.db2.gz CDVNCOBGDAHCIR-UHFFFAOYSA-N 1 0 268.360 2.504 50 0 CFAARO Cc1ncc2c(n1)C[N@@H+](CCCc1ccccc1)CC2 ZINC000069898309 374106751 /nfs/dbraw/zinc/10/67/51/374106751.db2.gz OBOPHCPNLDXKQR-UHFFFAOYSA-N 1 0 267.376 2.776 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000069899374 374106881 /nfs/dbraw/zinc/10/68/81/374106881.db2.gz DTVAILRFEDWXBT-KGLIPLIRSA-N 1 0 295.814 2.757 50 0 CFAARO C[C@@H]([NH2+]C(C)(C)CNCc1cnn(C)c1)c1ccccc1 ZINC000069898377 374107000 /nfs/dbraw/zinc/10/70/00/374107000.db2.gz MNFUAXJDAJIBLS-CQSZACIVSA-N 1 0 286.423 2.639 50 0 CFAARO Cc1cc(C)cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000070252033 374152912 /nfs/dbraw/zinc/15/29/12/374152912.db2.gz ALTHZMMQMYXMQG-AWEZNQCLSA-N 1 0 258.365 2.632 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)c(OC)c1 ZINC000070328002 374166886 /nfs/dbraw/zinc/16/68/86/374166886.db2.gz SZSWWPXNLYBMPL-UONOGXRCSA-N 1 0 279.380 2.751 50 0 CFAARO Cc1ccccc1CC[C@@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000071753259 374222368 /nfs/dbraw/zinc/22/23/68/374222368.db2.gz QHHMVRNIGLLYHE-HNNXBMFYSA-N 1 0 286.419 2.658 50 0 CFAARO CC1=C[C@H](C)C(=O)N(CC[NH+]2CCCCC2)C(C)=C1 ZINC000071787007 374226276 /nfs/dbraw/zinc/22/62/76/374226276.db2.gz IPNISADOOVKOKX-AWEZNQCLSA-N 1 0 262.397 2.801 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000071825355 374226848 /nfs/dbraw/zinc/22/68/48/374226848.db2.gz QPSFTZYPQNCMLM-CYBMUJFWSA-N 1 0 277.755 2.985 50 0 CFAARO c1nc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cs1 ZINC000072428016 374251763 /nfs/dbraw/zinc/25/17/63/374251763.db2.gz TYEWBIPWZRORNZ-HNNXBMFYSA-N 1 0 279.453 2.984 50 0 CFAARO Cc1ccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)cn1 ZINC000072421565 374251868 /nfs/dbraw/zinc/25/18/68/374251868.db2.gz PBJUMOYZJRFGLT-JKSUJKDBSA-N 1 0 292.448 2.529 50 0 CFAARO COC(=O)/C(C)=C/C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000072309045 374244576 /nfs/dbraw/zinc/24/45/76/374244576.db2.gz JWQWHEMSPVGTCR-QSOAKEGCSA-N 1 0 289.375 2.951 50 0 CFAARO CC(C)[C@@H](NC(=O)CCC[NH+]1CCCC1)c1ccccn1 ZINC000073845208 374391474 /nfs/dbraw/zinc/39/14/74/374391474.db2.gz SDYKCRWVGSHXJX-QGZVFWFLSA-N 1 0 289.423 2.771 50 0 CFAARO Cc1ncsc1CC[N@@H+](C)Cc1c(C)noc1C ZINC000074349131 374415261 /nfs/dbraw/zinc/41/52/61/374415261.db2.gz JVUJLLCIFMCYOJ-UHFFFAOYSA-N 1 0 265.382 2.731 50 0 CFAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000075133078 374459121 /nfs/dbraw/zinc/45/91/21/374459121.db2.gz RNIIPFRRINJLNX-INIZCTEOSA-N 1 0 284.407 2.812 50 0 CFAARO CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCc3ccccc31)CC2 ZINC000075131381 374459823 /nfs/dbraw/zinc/45/98/23/374459823.db2.gz HGKBPMQDPWFTKB-GDBMZVCRSA-N 1 0 296.418 2.823 50 0 CFAARO c1ccc2c(c1)cccc2CSCCNC1=[NH+]CCN1 ZINC000075581931 374493460 /nfs/dbraw/zinc/49/34/60/374493460.db2.gz DOOGBGSTWCNRKK-UHFFFAOYSA-N 1 0 285.416 2.622 50 0 CFAARO CCC[N@@H+](Cc1csc(COC)n1)CC1CC1 ZINC000075593657 374494050 /nfs/dbraw/zinc/49/40/50/374494050.db2.gz YHKKVZOYDMGJOV-UHFFFAOYSA-N 1 0 254.399 2.912 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]CCNC(=O)c1ccco1 ZINC000078979797 374579045 /nfs/dbraw/zinc/57/90/45/374579045.db2.gz NNVZVEQGYUVIOD-OWBHPGMISA-N 1 0 284.359 2.703 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]CCC(=O)NC(C)C ZINC000078979820 374579295 /nfs/dbraw/zinc/57/92/95/374579295.db2.gz BVAUKONCMCUXJK-SDNWHVSQSA-N 1 0 260.381 2.594 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]C[C@H]2CSCCS2)cc1 ZINC000079061202 374588860 /nfs/dbraw/zinc/58/88/60/374588860.db2.gz LTXCWRPPLIQKNZ-AWEZNQCLSA-N 1 0 296.461 2.583 50 0 CFAARO C/C(=C\c1ccco1)C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000082039581 374724145 /nfs/dbraw/zinc/72/41/45/374724145.db2.gz HEDFQICLJAGZFW-MAUPQMMJSA-N 1 0 299.374 2.646 50 0 CFAARO CCCCc1nc(CN2C[C@@H](CCC)[C@H]([NH+](C)C)C2)c[nH]1 ZINC000082121196 374725966 /nfs/dbraw/zinc/72/59/66/374725966.db2.gz RWIWWZIOBHEFDO-GDBMZVCRSA-N 1 0 292.471 2.914 50 0 CFAARO CN(C)[C@H]1CCCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000082145723 374728178 /nfs/dbraw/zinc/72/81/78/374728178.db2.gz FDNMRVLIXGJARE-SFHVURJKSA-N 1 0 298.434 2.788 50 0 CFAARO Clc1ccc(C[NH2+]C[C@@H]2CCCn3ccnc32)o1 ZINC000084436756 374776873 /nfs/dbraw/zinc/77/68/73/374776873.db2.gz HHCBMXGJMCABOG-JTQLQIEISA-N 1 0 265.744 2.797 50 0 CFAARO CC[C@H](C[NH2+]Cc1cnn(C)c1)Oc1cccc(F)c1 ZINC000084674806 374786682 /nfs/dbraw/zinc/78/66/82/374786682.db2.gz UJWUWDBRDRMVHM-CQSZACIVSA-N 1 0 277.343 2.506 50 0 CFAARO Cc1cccc(C)c1C[N@@H+](C)[C@@H]1CCC[C@@H]1S(C)(=O)=O ZINC000089688777 374936509 /nfs/dbraw/zinc/93/65/09/374936509.db2.gz VUBIDVFFVQAHLR-CVEARBPZSA-N 1 0 295.448 2.701 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cnn3ccccc13)CCC2 ZINC000089702149 374939020 /nfs/dbraw/zinc/93/90/20/374939020.db2.gz NBTCSIQYMWUUET-CQSZACIVSA-N 1 0 295.390 2.506 50 0 CFAARO Cn1cc(N2CCC[C@H]([NH2+]C3CCCCCC3)C2)cn1 ZINC000089755837 374946298 /nfs/dbraw/zinc/94/62/98/374946298.db2.gz DEXFOFAVXANZHX-HNNXBMFYSA-N 1 0 276.428 2.701 50 0 CFAARO OCC[NH2+][C@@H]1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000089827864 374958020 /nfs/dbraw/zinc/95/80/20/374958020.db2.gz GTHKWVVCHKRPAG-NVXWUHKLSA-N 1 0 269.344 2.833 50 0 CFAARO COc1ccc(C[N@H+](C)CC[C@H](C)O)cc1Cl ZINC000089895445 374967055 /nfs/dbraw/zinc/96/70/55/374967055.db2.gz KVOHADLANLVMFK-JTQLQIEISA-N 1 0 257.761 2.551 50 0 CFAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000089949053 374975024 /nfs/dbraw/zinc/97/50/24/374975024.db2.gz CDQGVPDTFGVGMW-PBHICJAKSA-N 1 0 299.418 2.905 50 0 CFAARO O=C1C[C@H]([NH2+][C@H]2CCSc3ccccc32)CN1C1CC1 ZINC000090180760 374999193 /nfs/dbraw/zinc/99/91/93/374999193.db2.gz NWUNADGWSZURSJ-FZMZJTMJSA-N 1 0 288.416 2.576 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCSC2)c(F)c1 ZINC000089937529 374972589 /nfs/dbraw/zinc/97/25/89/374972589.db2.gz LKYMGJVJQOXPKU-GFCCVEGCSA-N 1 0 283.368 2.550 50 0 CFAARO CC(C)NC(=O)C[NH2+][C@H]1c2ccccc2SC[C@H]1C ZINC000089941386 374973028 /nfs/dbraw/zinc/97/30/28/374973028.db2.gz VPXIGKVRFBZFQH-IAQYHMDHSA-N 1 0 278.421 2.584 50 0 CFAARO C[N@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCSC1 ZINC000089939160 374973327 /nfs/dbraw/zinc/97/33/27/374973327.db2.gz AFXIQPBMOQAQQE-SNVBAGLBSA-N 1 0 266.341 2.904 50 0 CFAARO O=C1N(C2CCCC2)CCC[C@]12CCN(c1cc[nH+]cc1)C2 ZINC000091779588 375062646 /nfs/dbraw/zinc/06/26/46/375062646.db2.gz ONZPMBWXFRDJDW-GOSISDBHSA-N 1 0 299.418 2.843 50 0 CFAARO c1cc(CNc2ccncn2)cc(C[NH+]2CCCC2)c1 ZINC000091845545 375066217 /nfs/dbraw/zinc/06/62/17/375066217.db2.gz PLFQWHJCLXDFDF-UHFFFAOYSA-N 1 0 268.364 2.685 50 0 CFAARO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c[nH]1 ZINC000093453519 375243935 /nfs/dbraw/zinc/24/39/35/375243935.db2.gz KOASQCOPODFFSG-INIZCTEOSA-N 1 0 299.374 2.842 50 0 CFAARO COc1cc(C)c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1OC ZINC000093482860 375251863 /nfs/dbraw/zinc/25/18/63/375251863.db2.gz FGJCFPQVYWOMOZ-HIFRSBDPSA-N 1 0 293.407 2.748 50 0 CFAARO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322563 375209502 /nfs/dbraw/zinc/20/95/02/375209502.db2.gz XZSCDPMBMFSXDX-GJZGRUSLSA-N 1 0 279.428 2.764 50 0 CFAARO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccsc3)C2)cn1 ZINC000093870580 375326094 /nfs/dbraw/zinc/32/60/94/375326094.db2.gz ZKNNLQFEKPRDEZ-LBPRGKRZSA-N 1 0 261.394 2.546 50 0 CFAARO CC1(C)C[C@@H]([NH2+]CCCCn2ccnc2)C(C)(C)O1 ZINC000094424246 375360619 /nfs/dbraw/zinc/36/06/19/375360619.db2.gz XYULBBZLKYSPDD-CYBMUJFWSA-N 1 0 265.401 2.599 50 0 CFAARO Cc1nccn1CC[N@@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095496704 375461716 /nfs/dbraw/zinc/46/17/16/375461716.db2.gz HLDQBCQMZYJBRH-MRXNPFEDSA-N 1 0 299.418 2.765 50 0 CFAARO Fc1cncc(N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000095080925 375408285 /nfs/dbraw/zinc/40/82/85/375408285.db2.gz WCEBTKTWCHSLFP-UHFFFAOYSA-N 1 0 271.339 2.543 50 0 CFAARO C[C@H]1CCc2[nH]c3ccc(C(=O)NCC[NH+](C)C)cc3c2C1 ZINC000095349154 375417410 /nfs/dbraw/zinc/41/74/10/375417410.db2.gz PJRPBNTWCAYDJP-LBPRGKRZSA-N 1 0 299.418 2.584 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)N1Cc2ccccc2C1 ZINC000095367461 375420884 /nfs/dbraw/zinc/42/08/84/375420884.db2.gz IZRRRNDFMCXVOT-INIZCTEOSA-N 1 0 272.392 2.793 50 0 CFAARO CCCc1nnc(NCc2cccc(C[NH+](C)C)c2)o1 ZINC000095363513 375421982 /nfs/dbraw/zinc/42/19/82/375421982.db2.gz JPQPKNXALGKZLZ-UHFFFAOYSA-N 1 0 274.368 2.696 50 0 CFAARO C[C@@H](c1ccc(-c2ccc(=O)n(C)n2)cc1)[NH+]1CCCCC1 ZINC000096153513 375470236 /nfs/dbraw/zinc/47/02/36/375470236.db2.gz QSBNDCDNLQNJCY-AWEZNQCLSA-N 1 0 297.402 2.994 50 0 CFAARO CC(C)c1cc(N(C)CC[N@H+](C)C2CCCC2)ncn1 ZINC000095375993 375425127 /nfs/dbraw/zinc/42/51/27/375425127.db2.gz WMVTZMRQRIYESU-UHFFFAOYSA-N 1 0 276.428 2.911 50 0 CFAARO CC(=O)NCCC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000095377459 375425174 /nfs/dbraw/zinc/42/51/74/375425174.db2.gz XBZRJNKDEQYBMC-INIZCTEOSA-N 1 0 260.381 2.658 50 0 CFAARO CCc1cnc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000095385273 375427376 /nfs/dbraw/zinc/42/73/76/375427376.db2.gz KSUIODJMGWPREZ-UHFFFAOYSA-N 1 0 297.406 2.511 50 0 CFAARO CSc1n[nH]c(-c2cccc([C@H](C)[NH+](C)C)c2)n1 ZINC000096152736 375470773 /nfs/dbraw/zinc/47/07/73/375470773.db2.gz WDYZKHLLYIVFQZ-VIFPVBQESA-N 1 0 262.382 2.816 50 0 CFAARO C(C1CCC1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000095404831 375433158 /nfs/dbraw/zinc/43/31/58/375433158.db2.gz ATJGYIIHEPYJOK-OAHLLOKOSA-N 1 0 288.439 2.984 50 0 CFAARO O[C@H](C[C@H]1CCCCC[N@@H+]1C[C@@H]1CCOC1)c1ccco1 ZINC000095413219 375436067 /nfs/dbraw/zinc/43/60/67/375436067.db2.gz HHSFVANVNJSTHU-ARFHVFGLSA-N 1 0 293.407 2.984 50 0 CFAARO O[C@@H](C[NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1 ZINC000095412212 375436251 /nfs/dbraw/zinc/43/62/51/375436251.db2.gz VFKRKHSGYWBHME-KRWDZBQOSA-N 1 0 297.402 2.505 50 0 CFAARO OCc1ccc(C[NH2+]CCc2c(F)cccc2Cl)o1 ZINC000095415587 375437480 /nfs/dbraw/zinc/43/74/80/375437480.db2.gz DURSHYRAKZZJJO-UHFFFAOYSA-N 1 0 283.730 2.897 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)Cc2ccsc2)cn1 ZINC000095419787 375440128 /nfs/dbraw/zinc/44/01/28/375440128.db2.gz DYZJHWFIQQEKQV-LLVKDONJSA-N 1 0 262.378 2.873 50 0 CFAARO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCCOC2)cc1OC ZINC000095422081 375440589 /nfs/dbraw/zinc/44/05/89/375440589.db2.gz UZLZZMCBDAZXIX-GHMZBOCLSA-N 1 0 283.343 2.673 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1 ZINC000095420559 375440944 /nfs/dbraw/zinc/44/09/44/375440944.db2.gz OGSFVHJTUPUMBU-WBMJQRKESA-N 1 0 262.397 2.686 50 0 CFAARO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000095421205 375441273 /nfs/dbraw/zinc/44/12/73/375441273.db2.gz KKKMTANBOGKWRZ-QWRGUYRKSA-N 1 0 294.786 2.679 50 0 CFAARO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000095422861 375441701 /nfs/dbraw/zinc/44/17/01/375441701.db2.gz KOMFJWQWZIWNMK-JQWIXIFHSA-N 1 0 296.798 2.620 50 0 CFAARO CCc1nncn1CC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000095423455 375442009 /nfs/dbraw/zinc/44/20/09/375442009.db2.gz VLRUZBPOIALNOK-HNNXBMFYSA-N 1 0 272.396 2.890 50 0 CFAARO O=C(NC1CC1)[C@@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095422591 375442823 /nfs/dbraw/zinc/44/28/23/375442823.db2.gz BKUGZYYBWJRYOW-WBVHZDCISA-N 1 0 298.430 2.581 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000095440129 375449415 /nfs/dbraw/zinc/44/94/15/375449415.db2.gz DAMFBBSKQLTEPA-CYBMUJFWSA-N 1 0 286.423 2.833 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](C)c1ccncc1 ZINC000095440130 375450713 /nfs/dbraw/zinc/45/07/13/375450713.db2.gz DAMFBBSKQLTEPA-ZDUSSCGKSA-N 1 0 286.423 2.833 50 0 CFAARO CS[C@@H](C)CC(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000095441311 375451387 /nfs/dbraw/zinc/45/13/87/375451387.db2.gz XPPIOPKZYYMUFF-JTQLQIEISA-N 1 0 284.400 2.967 50 0 CFAARO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@@H]1C ZINC000095451701 375455244 /nfs/dbraw/zinc/45/52/44/375455244.db2.gz WNYJQJFTZIMPJP-QWRGUYRKSA-N 1 0 296.802 2.681 50 0 CFAARO Cc1cc(C)nc(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000097142983 375530039 /nfs/dbraw/zinc/53/00/39/375530039.db2.gz PJCCZRKVSFOUIU-JSGCOSHPSA-N 1 0 290.411 2.502 50 0 CFAARO Cc1n[nH]cc1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000097159371 375533778 /nfs/dbraw/zinc/53/37/78/375533778.db2.gz DYWOOKZIYUEJIR-UHFFFAOYSA-N 1 0 285.391 2.556 50 0 CFAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(N)nc1 ZINC000097162685 375535173 /nfs/dbraw/zinc/53/51/73/375535173.db2.gz GTOMUNJQMLHYJN-UHFFFAOYSA-N 1 0 271.364 2.695 50 0 CFAARO Cc1cc(N2CCC[C@H](CCC(=O)N(C)C)C2)cc(C)[nH+]1 ZINC000096180289 375474628 /nfs/dbraw/zinc/47/46/28/375474628.db2.gz LIEOWOFSJVEEAR-OAHLLOKOSA-N 1 0 289.423 2.783 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+]CC1(N(C)C)CCOCC1)CC2 ZINC000096477646 375489751 /nfs/dbraw/zinc/48/97/51/375489751.db2.gz FYBIXWJWJGGEBK-KRWDZBQOSA-N 1 0 288.435 2.683 50 0 CFAARO C[C@@H]1CCC[C@H]([NH2+]CCn2cnnc2C2CC2)[C@@H]1C ZINC000097080735 375508986 /nfs/dbraw/zinc/50/89/86/375508986.db2.gz OGIFXGZKBALTDY-BZPMIXESSA-N 1 0 262.401 2.570 50 0 CFAARO CO[C@@H](C[NH2+][C@H]1CCCSC1)c1ccc(F)cc1 ZINC000097084618 375512270 /nfs/dbraw/zinc/51/22/70/375512270.db2.gz YPFBXAAXELWZEN-KBPBESRZSA-N 1 0 269.385 2.998 50 0 CFAARO Cc1ccsc1CN1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000097088335 375512957 /nfs/dbraw/zinc/51/29/57/375512957.db2.gz FKPWRBDKLQMGEG-OAHLLOKOSA-N 1 0 294.464 2.743 50 0 CFAARO Cn1cc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000097102367 375518425 /nfs/dbraw/zinc/51/84/25/375518425.db2.gz JDWCQNMWYIXXFH-GOSISDBHSA-N 1 0 298.434 2.564 50 0 CFAARO Cc1ccc2[nH+]ccc(N3CCC[C@H]3C(=O)NC3CC3)c2c1 ZINC000097104396 375520139 /nfs/dbraw/zinc/52/01/39/375520139.db2.gz LJDFZTSEKOGZKU-KRWDZBQOSA-N 1 0 295.386 2.791 50 0 CFAARO Cn1cc(C[N@@H+]2CCC[C@@](C)(O)C2)c(C2CCCCC2)n1 ZINC000097108465 375521432 /nfs/dbraw/zinc/52/14/32/375521432.db2.gz LMRRIOYZDYXTBU-QGZVFWFLSA-N 1 0 291.439 2.815 50 0 CFAARO Cc1csc([C@@H](C)[NH2+]CCN2CCCCC2)n1 ZINC000097112093 375522946 /nfs/dbraw/zinc/52/29/46/375522946.db2.gz CODHXCJBJNUYKR-GFCCVEGCSA-N 1 0 253.415 2.588 50 0 CFAARO C[N@H+](CCc1ccccn1)Cc1cccc(-n2cccn2)c1 ZINC000097113725 375524156 /nfs/dbraw/zinc/52/41/56/375524156.db2.gz LVIQLYXVUQMZOM-UHFFFAOYSA-N 1 0 292.386 2.942 50 0 CFAARO CCC[NH+]1CCC(Nc2ccc([S@](C)=O)cc2)CC1 ZINC000097142011 375528749 /nfs/dbraw/zinc/52/87/49/375528749.db2.gz BDMDQHZSIIKRSO-LJQANCHMSA-N 1 0 280.437 2.710 50 0 CFAARO Cc1cc([C@H]2CCCN2Cc2cccc3nonc32)no1 ZINC000097823266 375585839 /nfs/dbraw/zinc/58/58/39/375585839.db2.gz YTSAHRFSORADGH-CQSZACIVSA-N 1 0 284.319 2.856 50 0 CFAARO CSCCC[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000097295250 375548565 /nfs/dbraw/zinc/54/85/65/375548565.db2.gz ZHVFQPYSDPRAQA-UHFFFAOYSA-N 1 0 261.394 2.715 50 0 CFAARO CSc1ccccc1C[C@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000097370916 375552314 /nfs/dbraw/zinc/55/23/14/375552314.db2.gz XKPZZXVWQSTFRM-WFASDCNBSA-N 1 0 297.489 2.797 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCC[C@H](C)C2)c(C)o1 ZINC000097373935 375553053 /nfs/dbraw/zinc/55/30/53/375553053.db2.gz TXMPFKPWUGOHCJ-WCQYABFASA-N 1 0 278.396 2.806 50 0 CFAARO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000097373440 375553923 /nfs/dbraw/zinc/55/39/23/375553923.db2.gz CBIFMGBZDDHJKC-JTQLQIEISA-N 1 0 291.420 2.719 50 0 CFAARO CC(C)c1ncc(C[N@@H+]2CCCC3(CCOCC3)C2)cn1 ZINC000097413406 375558089 /nfs/dbraw/zinc/55/80/89/375558089.db2.gz ABPQTJWPUMHNKL-UHFFFAOYSA-N 1 0 289.423 2.993 50 0 CFAARO CSc1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000097474883 375564911 /nfs/dbraw/zinc/56/49/11/375564911.db2.gz QLJPVAJTFDZAEO-CYBMUJFWSA-N 1 0 251.395 2.755 50 0 CFAARO OCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000097495124 375566452 /nfs/dbraw/zinc/56/64/52/375566452.db2.gz XBDUBTFBMYRHGE-LLVKDONJSA-N 1 0 257.736 2.826 50 0 CFAARO c1nc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)no1 ZINC000097604228 375573475 /nfs/dbraw/zinc/57/34/75/375573475.db2.gz IEDHIQAXICQYRR-UHFFFAOYSA-N 1 0 294.358 2.997 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000097635127 375575324 /nfs/dbraw/zinc/57/53/24/375575324.db2.gz UOLCTJNRDZJJEP-OMDKTOEGSA-N 1 0 298.390 2.706 50 0 CFAARO CCCn1ncc(CN2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000097711770 375579378 /nfs/dbraw/zinc/57/93/78/375579378.db2.gz PZXCMGHPSLMROX-INIZCTEOSA-N 1 0 278.444 2.518 50 0 CFAARO FC(F)(F)Oc1cccc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000097730121 375582220 /nfs/dbraw/zinc/58/22/20/375582220.db2.gz ARLACPPSZNBUCB-UHFFFAOYSA-N 1 0 283.253 2.621 50 0 CFAARO Cc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c(C)c1 ZINC000104144879 375770572 /nfs/dbraw/zinc/77/05/72/375770572.db2.gz NZHWHEMGFDFGFL-CYBMUJFWSA-N 1 0 260.381 2.503 50 0 CFAARO CCN(CC)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000019636822 284634702 /nfs/dbraw/zinc/63/47/02/284634702.db2.gz AUUIJEWURDSYLV-UHFFFAOYSA-N 1 0 250.430 2.743 50 0 CFAARO c1cnn(CC2CC[NH+](Cc3[nH]nc4ccccc43)CC2)c1 ZINC000019145639 542219460 /nfs/dbraw/zinc/21/94/60/542219460.db2.gz YTUSWRDAHMWMTI-UHFFFAOYSA-N 1 0 295.390 2.672 50 0 CFAARO CC(=O)NC1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000132932026 377888044 /nfs/dbraw/zinc/88/80/44/377888044.db2.gz KBUQNSQBNTWPPP-GTPINHCMSA-N 1 0 286.419 2.753 50 0 CFAARO Clc1ccccc1O[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000133353876 377924021 /nfs/dbraw/zinc/92/40/21/377924021.db2.gz AXCXPXQKNDJFDP-CYBMUJFWSA-N 1 0 291.782 2.690 50 0 CFAARO Cc1ccc(CCCC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)s1 ZINC000154133788 378541916 /nfs/dbraw/zinc/54/19/16/378541916.db2.gz OSHISXRGXYPQIT-RYUDHWBXSA-N 1 0 280.437 2.588 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)CCOCC1 ZINC000108477072 284729290 /nfs/dbraw/zinc/72/92/90/284729290.db2.gz UHBHLUOGFRGUDA-BFHYXJOUSA-N 1 0 255.402 2.596 50 0 CFAARO c1ccc(-c2noc(-c3ccc(OC4C[NH2+]C4)cc3)n2)cc1 ZINC000169676339 379107266 /nfs/dbraw/zinc/10/72/66/379107266.db2.gz QDIMLTBARGFKEJ-UHFFFAOYSA-N 1 0 293.326 2.754 50 0 CFAARO CC1(C)CCC[C@@H]1[NH2+]CC(=O)NCc1cccs1 ZINC000170607210 379126662 /nfs/dbraw/zinc/12/66/62/379126662.db2.gz DYBVPFPKKBRJQX-LBPRGKRZSA-N 1 0 266.410 2.533 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000172331847 379544991 /nfs/dbraw/zinc/54/49/91/379544991.db2.gz RVUVZRBWUVIZNK-UHFFFAOYSA-N 1 0 287.407 2.735 50 0 CFAARO c1nc(CN2CCC[C@@H](c3nnc4ccccn43)C2)cs1 ZINC000172556324 379596154 /nfs/dbraw/zinc/59/61/54/379596154.db2.gz YTEBMJLVPWQMJG-GFCCVEGCSA-N 1 0 299.403 2.565 50 0 CFAARO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)[nH]1 ZINC000334636924 379677874 /nfs/dbraw/zinc/67/78/74/379677874.db2.gz HPQKBPGMVBBRLK-SECBINFHSA-N 1 0 282.800 2.818 50 0 CFAARO Cc1nc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(C)o1 ZINC000408520062 380938337 /nfs/dbraw/zinc/93/83/37/380938337.db2.gz WODNCKMLBGLMFW-UHFFFAOYSA-N 1 0 287.363 2.914 50 0 CFAARO C[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CCCOC1 ZINC000408522739 380939280 /nfs/dbraw/zinc/93/92/80/380939280.db2.gz CTGXQISZQCMIKV-KOLCDFICSA-N 1 0 272.751 2.779 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000000238039 169583137 /nfs/dbraw/zinc/58/31/37/169583137.db2.gz HAJJREGFCZYOOJ-ZDUSSCGKSA-N 1 0 265.328 2.601 50 0 CFAARO Cc1cc(C)c(OC[C@@H](O)C[NH2+]C(C)(C)C)c(C)c1 ZINC000000283960 169596959 /nfs/dbraw/zinc/59/69/59/169596959.db2.gz QBVBSZGSMKFHHH-AWEZNQCLSA-N 1 0 265.397 2.740 50 0 CFAARO c1cncc(C[NH2+]Cc2ccc(OC[C@H]3CCOC3)cc2)c1 ZINC000299770641 382044813 /nfs/dbraw/zinc/04/48/13/382044813.db2.gz XQBSDYBNEHIIPF-KRWDZBQOSA-N 1 0 298.386 2.787 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)CCc1ccccc1 ZINC000299773710 382045582 /nfs/dbraw/zinc/04/55/82/382045582.db2.gz FKDHOEQUQZMJND-UHFFFAOYSA-N 1 0 257.381 2.744 50 0 CFAARO Cc1cc(NC(=O)NC[C@@H]2CCCCC[NH2+]2)ccc1F ZINC000299786615 382048659 /nfs/dbraw/zinc/04/86/59/382048659.db2.gz WTPCRHXUYGVYGI-ZDUSSCGKSA-N 1 0 279.359 2.788 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC000188372624 382400336 /nfs/dbraw/zinc/40/03/36/382400336.db2.gz BYKVKTSWYLABTG-AGKHESDQSA-N 1 0 273.829 2.800 50 0 CFAARO CSCc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000188724877 382465051 /nfs/dbraw/zinc/46/50/51/382465051.db2.gz MYDRCNHZQIVZIS-RISCZKNCSA-N 1 0 251.395 2.817 50 0 CFAARO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000189060563 382533624 /nfs/dbraw/zinc/53/36/24/382533624.db2.gz KMYQREVSDNVTDC-SNVBAGLBSA-N 1 0 284.762 2.567 50 0 CFAARO CC[NH+]1CCN(c2cccc(N[C@@H]3CCSC3)c2)CC1 ZINC000190968397 382686832 /nfs/dbraw/zinc/68/68/32/382686832.db2.gz CTVNXKQQYKLOET-OAHLLOKOSA-N 1 0 291.464 2.746 50 0 CFAARO Cc1csc2c1ncnc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000189976901 382647899 /nfs/dbraw/zinc/64/78/99/382647899.db2.gz DXNQDWWBTWMUBJ-GFCCVEGCSA-N 1 0 288.420 2.674 50 0 CFAARO Cc1occc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193804489 382725778 /nfs/dbraw/zinc/72/57/78/382725778.db2.gz WOQGUHQPUKEUCQ-MRXNPFEDSA-N 1 0 298.386 2.840 50 0 CFAARO C[Si](C)(C)C[NH+]1CCC(C(=O)Nc2ccccn2)CC1 ZINC000195529958 382768688 /nfs/dbraw/zinc/76/86/88/382768688.db2.gz JDBWWMULGDVNRG-UHFFFAOYSA-N 1 0 291.471 2.610 50 0 CFAARO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)C1 ZINC000195540842 382769075 /nfs/dbraw/zinc/76/90/75/382769075.db2.gz SJWDMGQGTMSJTA-OSRSDYAFSA-N 1 0 294.414 2.566 50 0 CFAARO C[C@H]1CCCC[C@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000195560421 382769802 /nfs/dbraw/zinc/76/98/02/382769802.db2.gz VQPBCXLSNVDNAQ-GJZGRUSLSA-N 1 0 267.413 2.694 50 0 CFAARO Cc1cc(C)n(CCN(C)CC(C)(C)C[NH+]2CCCC2)n1 ZINC000215350963 382778471 /nfs/dbraw/zinc/77/84/71/382778471.db2.gz RHTMBLIPSMBMSI-UHFFFAOYSA-N 1 0 292.471 2.554 50 0 CFAARO CC(C)c1ncc(CN2CCc3[nH]nc(C4CC4)c3C2)cn1 ZINC000215387024 382778526 /nfs/dbraw/zinc/77/85/26/382778526.db2.gz JBZTWEWYLRDHHE-UHFFFAOYSA-N 1 0 297.406 2.759 50 0 CFAARO CS[C@H](C)CC[N@H+](C)CCn1nc(C)cc1C ZINC000215959279 382781466 /nfs/dbraw/zinc/78/14/66/382781466.db2.gz LVJYVQGHHHTPTQ-CYBMUJFWSA-N 1 0 255.431 2.573 50 0 CFAARO CCc1ccc(C[N@H+](C)CCC2(O)CCCC2)o1 ZINC000215924508 382781472 /nfs/dbraw/zinc/78/14/72/382781472.db2.gz HDSCTFUZDTWJFF-UHFFFAOYSA-N 1 0 251.370 2.969 50 0 CFAARO COC[C@H]1CC[N@H+](C/C=C/c2ccc(OC)cc2)C1 ZINC000216198617 382782497 /nfs/dbraw/zinc/78/24/97/382782497.db2.gz AEZAIKLJAIYQAU-BWPKMQGJSA-N 1 0 261.365 2.677 50 0 CFAARO CS[C@H](C)CC[N@@H+]1CCCN(Cc2ccccn2)CC1 ZINC000216438940 382783592 /nfs/dbraw/zinc/78/35/92/382783592.db2.gz STIDZYPIJXVWRJ-OAHLLOKOSA-N 1 0 293.480 2.731 50 0 CFAARO Cn1cc(CC[N@H+](C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cn1 ZINC000216503867 382783729 /nfs/dbraw/zinc/78/37/29/382783729.db2.gz SIOBXOOYWLSZJD-HOTGVXAUSA-N 1 0 273.424 2.887 50 0 CFAARO CN(Cc1ccc(Cl)o1)Cc1[nH]nc2c1CCC2 ZINC000216543941 382784047 /nfs/dbraw/zinc/78/40/47/382784047.db2.gz FNAIHVLCIFZLDZ-UHFFFAOYSA-N 1 0 265.744 2.777 50 0 CFAARO COc1cc(C[NH2+]C[C@H]2CCCN2C)ccc1OC(C)C ZINC000221157732 382797383 /nfs/dbraw/zinc/79/73/83/382797383.db2.gz DXCZFJCADJLELH-OAHLLOKOSA-N 1 0 292.423 2.666 50 0 CFAARO CC[N@@H+]1CC[C@@H](Nc2ccccc2COC)[C@@H](C)C1 ZINC000221870946 382799897 /nfs/dbraw/zinc/79/98/97/382799897.db2.gz ISVQEAFERUVLQD-DZGCQCFKSA-N 1 0 262.397 2.975 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2)on1 ZINC000222039505 382800344 /nfs/dbraw/zinc/80/03/44/382800344.db2.gz UJPYNEKCQBOWSF-LSDHHAIUSA-N 1 0 272.348 2.854 50 0 CFAARO C[C@H](CC[N@@H+](C)[C@@H](C)C[S@@](C)=O)c1ccccc1 ZINC000221936618 382800355 /nfs/dbraw/zinc/80/03/55/382800355.db2.gz FRANEKMOHVLMRS-QWQRMKEZSA-N 1 0 267.438 2.879 50 0 CFAARO Cc1ccc(C[N@@H+](C)CCN(C)C)c2cccnc12 ZINC000223127028 382804203 /nfs/dbraw/zinc/80/42/03/382804203.db2.gz GOEMCJQLHIXHIF-UHFFFAOYSA-N 1 0 257.381 2.537 50 0 CFAARO Cc1cc(Nc2nccc(-n3cccn3)n2)ccc1N(C)C ZINC000225403074 382815344 /nfs/dbraw/zinc/81/53/44/382815344.db2.gz GSPVNTMSFKJXJY-UHFFFAOYSA-N 1 0 294.362 2.780 50 0 CFAARO c1cn(CCC[N@@H+]2CCCc3sccc3C2)cn1 ZINC000225548506 382818241 /nfs/dbraw/zinc/81/82/41/382818241.db2.gz YXYXFRMPSYCFKX-UHFFFAOYSA-N 1 0 261.394 2.783 50 0 CFAARO Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H](C)Cn1cncn1 ZINC000230126041 382855884 /nfs/dbraw/zinc/85/58/84/382855884.db2.gz ISLPJLLWENTGAM-UMVBOHGHSA-N 1 0 270.380 2.813 50 0 CFAARO CCN(CCC[NH+](C)C)C(=O)c1cc2ccccc2[nH]1 ZINC000230420379 382860869 /nfs/dbraw/zinc/86/08/69/382860869.db2.gz FBVSKOVHHUGDFC-UHFFFAOYSA-N 1 0 273.380 2.582 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000233984185 382872326 /nfs/dbraw/zinc/87/23/26/382872326.db2.gz BAALBEJWDMWAIK-UONOGXRCSA-N 1 0 278.421 2.889 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000237550435 382964211 /nfs/dbraw/zinc/96/42/11/382964211.db2.gz FXLPGWLORPJCKS-CFPAMBERSA-N 1 0 276.355 2.567 50 0 CFAARO CSCc1cc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)ccc1F ZINC000237381073 382958499 /nfs/dbraw/zinc/95/84/99/382958499.db2.gz MJDIMJHHRRXYED-GWCFXTLKSA-N 1 0 296.411 2.641 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000237411729 382959956 /nfs/dbraw/zinc/95/99/56/382959956.db2.gz GMOFEKNKSDFPGA-JSGCOSHPSA-N 1 0 294.826 2.858 50 0 CFAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1ccc(Cl)cc1 ZINC000237490536 382961957 /nfs/dbraw/zinc/96/19/57/382961957.db2.gz ODYLDPRNXRPNSY-FZMZJTMJSA-N 1 0 280.799 2.611 50 0 CFAARO Cc1ncccc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000237588954 382965343 /nfs/dbraw/zinc/96/53/43/382965343.db2.gz NRWXSHWRVKFADG-UHFFFAOYSA-N 1 0 261.413 2.789 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000241587977 382983465 /nfs/dbraw/zinc/98/34/65/382983465.db2.gz OYRYNFXCKLFHQG-ZJIFWQFVSA-N 1 0 295.471 2.985 50 0 CFAARO CC[N@H+](C)[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000241644681 382983652 /nfs/dbraw/zinc/98/36/52/382983652.db2.gz PSQUPPMMUBMSFA-NSHDSACASA-N 1 0 273.302 2.631 50 0 CFAARO c1cc2c(cc1[C@@H]1CCC[N@H+]1C[C@H]1CCOC1)OCCO2 ZINC000241316888 382983895 /nfs/dbraw/zinc/98/38/95/382983895.db2.gz LVSFXYGSZSENNJ-HIFRSBDPSA-N 1 0 289.375 2.631 50 0 CFAARO CCc1ccc(C[C@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000242463367 382985591 /nfs/dbraw/zinc/98/55/91/382985591.db2.gz CZHRRKKPZIBEFS-CKEIUWERSA-N 1 0 261.409 2.883 50 0 CFAARO O[C@]12CCCC[C@H]1C[N@H+](CCCc1ccco1)CC2 ZINC000244659829 382989554 /nfs/dbraw/zinc/98/95/54/382989554.db2.gz HJOPNROZYJCECL-HOCLYGCPSA-N 1 0 263.381 2.839 50 0 CFAARO Cc1nc(CC[N@H+](C)CCCc2c(C)n[nH]c2C)cs1 ZINC000244724060 382991829 /nfs/dbraw/zinc/99/18/29/382991829.db2.gz MMVSPUSHGIXPNR-UHFFFAOYSA-N 1 0 292.452 2.899 50 0 CFAARO Cc1cc(C)n([C@H]2CC[N@H+](CCCc3cccnc3)C2)n1 ZINC000244794546 382992411 /nfs/dbraw/zinc/99/24/11/382992411.db2.gz QOUIUYQJWMLCDI-KRWDZBQOSA-N 1 0 284.407 2.775 50 0 CFAARO COC[C@H](c1ccccn1)[N@H+](C)CCOc1ccccc1 ZINC000244795175 382993376 /nfs/dbraw/zinc/99/33/76/382993376.db2.gz RAYYYCDOZJCSPD-QGZVFWFLSA-N 1 0 286.375 2.780 50 0 CFAARO Cc1ccc(CN(CCO)Cc2cscn2)s1 ZINC000244794612 382993517 /nfs/dbraw/zinc/99/35/17/382993517.db2.gz QQFPITALMFGXSE-UHFFFAOYSA-N 1 0 268.407 2.508 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(CCCc2ccco2)C1 ZINC000244884178 382994271 /nfs/dbraw/zinc/99/42/71/382994271.db2.gz YGUZKAUAADGBPC-CQSZACIVSA-N 1 0 262.397 2.771 50 0 CFAARO Cc1ccc(OCC[N@@H+](C)CC2(C)COC2)c(C)c1 ZINC000244872809 382994404 /nfs/dbraw/zinc/99/44/04/382994404.db2.gz WERKSQZDOUOPAK-UHFFFAOYSA-N 1 0 263.381 2.651 50 0 CFAARO CCc1ncc(CN(CCOC)Cc2ccccc2C)cn1 ZINC000244874762 382994465 /nfs/dbraw/zinc/99/44/65/382994465.db2.gz XGXSGVNWKMURIU-UHFFFAOYSA-N 1 0 299.418 2.996 50 0 CFAARO C[N@H+](CCOc1ccccc1)CC[C@H]1CCCCO1 ZINC000244899640 382995846 /nfs/dbraw/zinc/99/58/46/382995846.db2.gz ZNFAAEARGPFBJU-MRXNPFEDSA-N 1 0 263.381 2.956 50 0 CFAARO O[C@@H](C[N@H+](C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000245339343 382997451 /nfs/dbraw/zinc/99/74/51/382997451.db2.gz SDVBRRUTFLVHJS-CVEARBPZSA-N 1 0 279.355 2.503 50 0 CFAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc(Cl)s1 ZINC000237590303 382965571 /nfs/dbraw/zinc/96/55/71/382965571.db2.gz MGSJXSODLXIENC-VHSXEESVSA-N 1 0 286.828 2.672 50 0 CFAARO C[C@H](C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)c1cc2ccccc2o1 ZINC000237603948 382966483 /nfs/dbraw/zinc/96/64/83/382966483.db2.gz YVBBBFSQCWHIAM-SGMGOOAPSA-N 1 0 286.375 2.875 50 0 CFAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000247084260 383141596 /nfs/dbraw/zinc/14/15/96/383141596.db2.gz HFNMMTITZWRULZ-HUUCEWRRSA-N 1 0 277.412 2.743 50 0 CFAARO CCC[NH+](CCC)Cc1cc(C(=O)N[C@@H](C)CC)no1 ZINC000583650479 383091583 /nfs/dbraw/zinc/09/15/83/383091583.db2.gz BIGXOIRRGRPODM-LBPRGKRZSA-N 1 0 281.400 2.825 50 0 CFAARO C[C@H](CCc1ccccc1F)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000246744677 383099152 /nfs/dbraw/zinc/09/91/52/383099152.db2.gz HGFLBVOITBBYKM-MCIONIFRSA-N 1 0 292.398 2.603 50 0 CFAARO Cc1c[nH]cc1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458286843 383152795 /nfs/dbraw/zinc/15/27/95/383152795.db2.gz OPKWFKDJNKOVET-UHFFFAOYSA-N 1 0 271.364 2.945 50 0 CFAARO CCOCCN1CC[N@H+](CC2CCCCC2)C[C@H]1C ZINC000247390848 383169675 /nfs/dbraw/zinc/16/96/75/383169675.db2.gz XCJITTMHMVXRTN-OAHLLOKOSA-N 1 0 268.445 2.609 50 0 CFAARO CCOCCN1CC[N@H+](CCCc2ccccc2)C[C@H]1C ZINC000247399526 383169739 /nfs/dbraw/zinc/16/97/39/383169739.db2.gz YHRFFBSZTCOEOK-QGZVFWFLSA-N 1 0 290.451 2.662 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cncc(F)c1 ZINC000248729834 383285497 /nfs/dbraw/zinc/28/54/97/383285497.db2.gz OGOYOIRALYDIKH-BSLXNSKLSA-N 1 0 276.355 2.829 50 0 CFAARO CCc1nn(C)cc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000248887820 383304099 /nfs/dbraw/zinc/30/40/99/383304099.db2.gz AJJXNVUAHFGBSY-DYVFJYSZSA-N 1 0 284.407 2.961 50 0 CFAARO Cc1nnc2ncc(-c3ccc([C@@H](C)[NH+](C)C)cc3)cn12 ZINC000426519303 383404120 /nfs/dbraw/zinc/40/41/20/383404120.db2.gz RYEBSZIVDGLQNV-LLVKDONJSA-N 1 0 281.363 2.722 50 0 CFAARO C[C@@H](c1cccc(-c2cnc3nncn3c2)c1)[NH+]1CCCC1 ZINC000426615464 383406668 /nfs/dbraw/zinc/40/66/68/383406668.db2.gz KYENASRIOLBQEJ-ZDUSSCGKSA-N 1 0 293.374 2.948 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000249698272 383356971 /nfs/dbraw/zinc/35/69/71/383356971.db2.gz VUJNITCHSFCSGP-LSDHHAIUSA-N 1 0 292.448 2.766 50 0 CFAARO C[N@H+](CCn1cnc2ccccc21)C[C@H]1CCCCO1 ZINC000252500556 383413942 /nfs/dbraw/zinc/41/39/42/383413942.db2.gz SXQWHHBQEHWTHQ-CQSZACIVSA-N 1 0 273.380 2.537 50 0 CFAARO COC[C@H]1CCC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000253393293 383454894 /nfs/dbraw/zinc/45/48/94/383454894.db2.gz YZNGYNJFPLSVNR-GOEBONIOSA-N 1 0 263.381 2.733 50 0 CFAARO CCc1ccc(C[NH2+]Cc2ccc(C)n(C)c2=O)cc1 ZINC000253419554 383457391 /nfs/dbraw/zinc/45/73/91/383457391.db2.gz PESKHWMNZBRITL-UHFFFAOYSA-N 1 0 270.376 2.546 50 0 CFAARO Cn1ccc(C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000253428669 383458386 /nfs/dbraw/zinc/45/83/86/383458386.db2.gz KJNRBWPVNPBNGQ-UKRRQHHQSA-N 1 0 273.355 2.985 50 0 CFAARO O=C1CCCN1CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000253425518 383458715 /nfs/dbraw/zinc/45/87/15/383458715.db2.gz FLQYHCCYMNXOPI-DVQDXYAYSA-N 1 0 284.403 2.787 50 0 CFAARO Cc1cccc(NCCc2ccc3c(c2)CCO3)[nH+]1 ZINC000252536702 383417712 /nfs/dbraw/zinc/41/77/12/383417712.db2.gz JFDPRIMFELTKIC-UHFFFAOYSA-N 1 0 254.333 2.980 50 0 CFAARO CNc1ccccc(C(C)=[NH+][N-]c2ccccc2)c1=O ZINC000252620359 383422402 /nfs/dbraw/zinc/42/24/02/383422402.db2.gz MCODXUSSTQMULL-UHFFFAOYSA-N 1 0 267.332 2.925 50 0 CFAARO CSc1ccccc1[C@@H](C)[NH2+]CCn1cccn1 ZINC000194920580 533057651 /nfs/dbraw/zinc/05/76/51/533057651.db2.gz YNUFCFZMYNCLFG-GFCCVEGCSA-N 1 0 261.394 2.956 50 0 CFAARO Cc1noc(C)c1[C@@H](C)CNc1ncnc(N)c1Cl ZINC000277897978 384436338 /nfs/dbraw/zinc/43/63/38/384436338.db2.gz UDZQISBGHZMMME-LURJTMIESA-N 1 0 281.747 2.533 50 0 CFAARO C[N@H+]([C@@H](CC(N)=O)c1ccccc1)[C@@H]1C=CCCC1 ZINC000280246317 384941667 /nfs/dbraw/zinc/94/16/67/384941667.db2.gz BFOLBTPTFZXOJN-CABCVRRESA-N 1 0 258.365 2.644 50 0 CFAARO O=c1ccccn1CCCC[NH2+][C@H]1CCc2ccccc21 ZINC000119210661 412994082 /nfs/dbraw/zinc/99/40/82/412994082.db2.gz KAVZEPOVAFMTBY-KRWDZBQOSA-N 1 0 282.387 2.906 50 0 CFAARO COC(=O)[C@H]1CC[NH2+][C@H]1c1ccc(Cl)cc1Cl ZINC000004237837 291876466 /nfs/dbraw/zinc/87/64/66/291876466.db2.gz RFRBPJHBTIEEOF-ONGXEEELSA-N 1 0 274.147 2.817 50 0 CFAARO c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000121225884 412999017 /nfs/dbraw/zinc/99/90/17/412999017.db2.gz VZRQBUWPKKBDMU-ZACQAIPSSA-N 1 0 272.392 2.565 50 0 CFAARO O[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)C(F)(F)F ZINC000000170280 285305024 /nfs/dbraw/zinc/30/50/24/285305024.db2.gz CBPHMWQVYCPSIP-VIFPVBQESA-N 1 0 287.203 2.718 50 0 CFAARO OCCC[C@H]1CCC[N@@H+]1CCOC1CCCCCC1 ZINC000096420046 256761311 /nfs/dbraw/zinc/76/13/11/256761311.db2.gz PRGTYJZEZAIRDW-OAHLLOKOSA-N 1 0 269.429 2.963 50 0 CFAARO CSCc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000237385486 256851225 /nfs/dbraw/zinc/85/12/25/256851225.db2.gz HLKPYTOSDACDGT-BXUZGUMPSA-N 1 0 278.421 2.501 50 0 CFAARO Cc1ccc(Cl)c(OCCOCC[NH+](C)C)c1 ZINC000002822722 256857119 /nfs/dbraw/zinc/85/71/19/256857119.db2.gz XKQLEIRWAUZZRA-UHFFFAOYSA-N 1 0 257.761 2.605 50 0 CFAARO Cc1nnc(C[N@@H+](CC(C)C)CC(C)(C)C)n1C ZINC000095416720 184973288 /nfs/dbraw/zinc/97/32/88/184973288.db2.gz HUOKFGFAZDITQA-UHFFFAOYSA-N 1 0 252.406 2.628 50 0 CFAARO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(C)c1C ZINC000097805578 533568395 /nfs/dbraw/zinc/56/83/95/533568395.db2.gz HWLQODOEPLGIAJ-KRWDZBQOSA-N 1 0 288.435 2.982 50 0 CFAARO Cc1csc([C@H](C)C[NH2+]Cc2cn(C(C)(C)C)nn2)n1 ZINC000191591469 130259305 /nfs/dbraw/zinc/25/93/05/130259305.db2.gz NOIFSLXHYHWKAG-SNVBAGLBSA-N 1 0 293.440 2.691 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000252486193 131135086 /nfs/dbraw/zinc/13/50/86/131135086.db2.gz GNTNSSWUMSNISO-NJAFHUGGSA-N 1 0 288.435 2.808 50 0 CFAARO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262622576 131242828 /nfs/dbraw/zinc/24/28/28/131242828.db2.gz JHDPNAAEIZHWGS-SLBVQIDZSA-N 1 0 272.392 2.518 50 0 CFAARO C/C(=C\C(=O)N1CCC([NH3+])CC1)c1ccccc1Cl ZINC000269113146 132114575 /nfs/dbraw/zinc/11/45/75/132114575.db2.gz LIHOLVQWBMGEAU-ZHACJKMWSA-N 1 0 278.783 2.693 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000269288139 132149994 /nfs/dbraw/zinc/14/99/94/132149994.db2.gz SXUPTQXTIAZSII-RUAUBTSSSA-N 1 0 290.382 2.515 50 0 CFAARO C[NH+](C)C[C@H]1CSCC[C@]1(O)c1cccc(Cl)c1 ZINC000000347742 393449990 /nfs/dbraw/zinc/44/99/90/393449990.db2.gz QKNJHOKHYFXNOT-JSGCOSHPSA-N 1 0 285.840 2.842 50 0 CFAARO CC1=C[C@H](C)C(=O)N(C[C@@H](C)[NH+]2CCCC2)C(C)=C1 ZINC000001721916 393452293 /nfs/dbraw/zinc/45/22/93/393452293.db2.gz SJFGMTIVTZSZIV-DZGCQCFKSA-N 1 0 262.397 2.799 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](C2CCCCC2)N1 ZINC000007126124 393466068 /nfs/dbraw/zinc/46/60/68/393466068.db2.gz ITUVGSUPJLAJKY-ZDUSSCGKSA-N 1 0 269.352 2.665 50 0 CFAARO Cc1cc(NN)[nH+]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000040478749 393542075 /nfs/dbraw/zinc/54/20/75/393542075.db2.gz FDFHCZXEXGVTAF-UHFFFAOYSA-N 1 0 268.242 2.756 50 0 CFAARO Cc1ccc(C(C)(C)C)c(OCCN2CC[NH+](C)CC2)c1 ZINC000020118275 393485655 /nfs/dbraw/zinc/48/56/55/393485655.db2.gz DDZPSNRGLLNJBP-UHFFFAOYSA-N 1 0 290.451 2.919 50 0 CFAARO COc1cccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020167290 393486312 /nfs/dbraw/zinc/48/63/12/393486312.db2.gz ZSGDBSFUHNUNLB-HUUCEWRRSA-N 1 0 293.407 2.963 50 0 CFAARO C[C@@H]1C[NH+](Cc2cccc3cccnc32)C[C@@H](C)O1 ZINC000026511591 393494497 /nfs/dbraw/zinc/49/44/97/393494497.db2.gz AMJBTRSQHMULBV-CHWSQXEVSA-N 1 0 256.349 2.844 50 0 CFAARO CC(C)SCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000306009322 393505319 /nfs/dbraw/zinc/50/53/19/393505319.db2.gz KBWLIXDSYIEKFR-KBPBESRZSA-N 1 0 257.443 2.755 50 0 CFAARO CC[C@@H](CNC(=O)c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000032445805 393513121 /nfs/dbraw/zinc/51/31/21/393513121.db2.gz YDPQUWNBRQDBIY-INIZCTEOSA-N 1 0 298.386 2.846 50 0 CFAARO CC(=O)Nc1nc(C[NH2+][C@@H](C)C2CCCC2)cs1 ZINC000184645420 393529813 /nfs/dbraw/zinc/52/98/13/393529813.db2.gz XDGPSVFYQTVBRZ-VIFPVBQESA-N 1 0 267.398 2.770 50 0 CFAARO Cc1nn(C)c(C)c1CCC[NH2+]Cc1ccccc1 ZINC000062808296 393628768 /nfs/dbraw/zinc/62/87/68/393628768.db2.gz ZMCSZRPEBYRUIO-UHFFFAOYSA-N 1 0 257.381 2.759 50 0 CFAARO CC[C@@H]1c2ccsc2CCN1C(=O)NC[C@@H](C)[NH+](C)C ZINC000065440458 393631598 /nfs/dbraw/zinc/63/15/98/393631598.db2.gz WIVBHDFVFRJNKY-DGCLKSJQSA-N 1 0 295.452 2.717 50 0 CFAARO C[C@H]1CCCN(C(=O)c2ccc(F)cc2Cl)[C@H]1C[NH3+] ZINC000070176213 393638531 /nfs/dbraw/zinc/63/85/31/393638531.db2.gz KBKZWLNVZHANKC-ZANVPECISA-N 1 0 284.762 2.679 50 0 CFAARO CNC(=O)c1cccc(CC[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000194479386 393699531 /nfs/dbraw/zinc/69/95/31/393699531.db2.gz MDJVMLDCDHWAKY-HNNXBMFYSA-N 1 0 296.414 2.982 50 0 CFAARO CCOC(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)OCC ZINC000230116820 393778316 /nfs/dbraw/zinc/77/83/16/393778316.db2.gz WHCKEAHJDRQRDM-OLZOCXBDSA-N 1 0 273.442 2.746 50 0 CFAARO Cc1cc(C[N@@H+](C)C2(C(N)=O)CCCC2)c2ccccc2n1 ZINC000093214189 393795916 /nfs/dbraw/zinc/79/59/16/393795916.db2.gz BSFRZBYFPGSZLW-UHFFFAOYSA-N 1 0 297.402 2.773 50 0 CFAARO COc1ccccc1C1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000240128314 393798100 /nfs/dbraw/zinc/79/81/00/393798100.db2.gz IPQVTUCJVOMPHN-MRXNPFEDSA-N 1 0 288.435 2.969 50 0 CFAARO Cc1cnccc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000244795802 393798644 /nfs/dbraw/zinc/79/86/44/393798644.db2.gz RNXGBCXAMLLBKR-UHFFFAOYSA-N 1 0 252.361 2.989 50 0 CFAARO OCCn1ncc2c1CCC[C@H]2[NH2+]C/C=C\c1ccccc1 ZINC000096297204 393818629 /nfs/dbraw/zinc/81/86/29/393818629.db2.gz PXFUOMIPKYCFBZ-CTEOGUNLSA-N 1 0 297.402 2.556 50 0 CFAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C(\C)C2CC2)cn1 ZINC000096313691 393819086 /nfs/dbraw/zinc/81/90/86/393819086.db2.gz GQMZTOUVTKBXSH-JLHYYAGUSA-N 1 0 290.411 2.520 50 0 CFAARO CC[NH+]1CCC(CNC(=O)/C=C\c2ccsc2)CC1 ZINC000096310195 393819292 /nfs/dbraw/zinc/81/92/92/393819292.db2.gz FFXAOXFXPWHMLB-ARJAWSKDSA-N 1 0 278.421 2.609 50 0 CFAARO Cc1ccc([C@@H](C)NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)s1 ZINC000096404197 393821428 /nfs/dbraw/zinc/82/14/28/393821428.db2.gz ZXEOXGDTQPGSPR-OLZOCXBDSA-N 1 0 295.452 2.711 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)s1 ZINC000096404198 393821638 /nfs/dbraw/zinc/82/16/38/393821638.db2.gz ZXEOXGDTQPGSPR-STQMWFEESA-N 1 0 295.452 2.711 50 0 CFAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccn1 ZINC000096424136 393829955 /nfs/dbraw/zinc/82/99/55/393829955.db2.gz DODNJBPFNNHBBS-CQSZACIVSA-N 1 0 293.374 2.855 50 0 CFAARO CC[N@H+](C)C[C@H]1CCN(C(=O)CSc2ccccc2)C1 ZINC000096432435 393832534 /nfs/dbraw/zinc/83/25/34/393832534.db2.gz NACDWLVUMFFGPL-CQSZACIVSA-N 1 0 292.448 2.579 50 0 CFAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096432446 393832710 /nfs/dbraw/zinc/83/27/10/393832710.db2.gz BITXAXUFNWRKTG-ZDUSSCGKSA-N 1 0 285.391 2.582 50 0 CFAARO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000108497329 393875185 /nfs/dbraw/zinc/87/51/85/393875185.db2.gz SMLMQJYEXHKRDL-ZDUSSCGKSA-N 1 0 287.407 2.639 50 0 CFAARO CCOC(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)OCC ZINC000097161661 393840956 /nfs/dbraw/zinc/84/09/56/393840956.db2.gz WHCKEAHJDRQRDM-QWHCGFSZSA-N 1 0 273.442 2.746 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000097819549 393841809 /nfs/dbraw/zinc/84/18/09/393841809.db2.gz LHPHVSXULJAEBM-HZPDHXFCSA-N 1 0 272.392 2.834 50 0 CFAARO CC[N@H+](Cc1cnn(C)c1)Cc1ccc2[nH]ccc2c1 ZINC000252495513 393936269 /nfs/dbraw/zinc/93/62/69/393936269.db2.gz ORXGKDOXVKSDRF-UHFFFAOYSA-N 1 0 268.364 2.924 50 0 CFAARO CCS[C@@H]1CC[C@]1(O)C[NH2+][C@H]1CCc2ccccc21 ZINC000252511626 393937111 /nfs/dbraw/zinc/93/71/11/393937111.db2.gz IVABNEZAKYDYOG-XHSDSOJGSA-N 1 0 277.433 2.910 50 0 CFAARO [NH3+]Cc1c(F)ccc(Br)c1Br ZINC000263624427 393964295 /nfs/dbraw/zinc/96/42/95/393964295.db2.gz QJAAHROBJSTJMX-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO CCOc1ccccc1N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000127543807 394052465 /nfs/dbraw/zinc/05/24/65/394052465.db2.gz HJNVJOZDQQXWAB-CYBMUJFWSA-N 1 0 299.374 2.507 50 0 CFAARO CC(C)C[N@@H+]1CCCN(Cc2ccsc2)CC1 ZINC000360075123 394145744 /nfs/dbraw/zinc/14/57/44/394145744.db2.gz LEKZNKFKQHBENM-UHFFFAOYSA-N 1 0 252.427 2.912 50 0 CFAARO C[C@@H](CCc1ccccc1F)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153414000 394283290 /nfs/dbraw/zinc/28/32/90/394283290.db2.gz HGFLBVOITBBYKM-BFHYXJOUSA-N 1 0 292.398 2.603 50 0 CFAARO Cc1c(COc2ccccc2)cccc1NC(=O)[C@@H](C)[NH3+] ZINC000170046797 394371149 /nfs/dbraw/zinc/37/11/49/394371149.db2.gz CMWAICOUWVOGMK-CYBMUJFWSA-N 1 0 284.359 2.860 50 0 CFAARO Cc1cc(N2CC[C@@](O)(C3CCC3)[C@H](C)C2)cc[nH+]1 ZINC000092078796 135075259 /nfs/dbraw/zinc/07/52/59/135075259.db2.gz WXJUIVFICDBYPZ-WBMJQRKESA-N 1 0 260.381 2.767 50 0 CFAARO CCC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)C1CCCC1 ZINC000453429224 394402884 /nfs/dbraw/zinc/40/28/84/394402884.db2.gz QFKHRHLYBKCVEJ-DZGCQCFKSA-N 1 0 252.402 2.604 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[NH2+]CCc1ccccc1 ZINC000032131624 542994574 /nfs/dbraw/zinc/99/45/74/542994574.db2.gz LUOYDVMGVUODNK-QGZVFWFLSA-N 1 0 285.387 2.567 50 0 CFAARO [NH3+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000036244508 543016685 /nfs/dbraw/zinc/01/66/85/543016685.db2.gz LKKGYRQQYNPZBJ-UHFFFAOYSA-N 1 0 259.259 2.738 50 0 CFAARO COc1c(C)cc(-c2cncc(C[NH+](C)C)n2)cc1C ZINC000426378244 397573396 /nfs/dbraw/zinc/57/33/96/397573396.db2.gz UCHUFHMCWTZXHD-UHFFFAOYSA-N 1 0 271.364 2.831 50 0 CFAARO Cc1nccn1CC[N@H+](C)CCCc1ccccc1 ZINC000215219759 397619077 /nfs/dbraw/zinc/61/90/77/397619077.db2.gz OXKJBXCFOQEUQS-UHFFFAOYSA-N 1 0 257.381 2.756 50 0 CFAARO CO[C@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000215281936 397619149 /nfs/dbraw/zinc/61/91/49/397619149.db2.gz DQCFCTZOXMTSIT-KRWDZBQOSA-N 1 0 285.391 2.542 50 0 CFAARO CCCn1cc(CN(C)C[C@@H]2CCCC[N@@H+]2C)c(C)n1 ZINC000216412288 397620169 /nfs/dbraw/zinc/62/01/69/397620169.db2.gz IWZARZZHMDJRIH-INIZCTEOSA-N 1 0 278.444 2.518 50 0 CFAARO Clc1ccc2c(c1)C[N@@H+](C[C@H]1CCOC1)CCO2 ZINC000216531334 397620221 /nfs/dbraw/zinc/62/02/21/397620221.db2.gz WDIPNZFCELMYOO-LLVKDONJSA-N 1 0 267.756 2.571 50 0 CFAARO CCOCCC1(C[NH2+][C@@H](C)CCOC)CCCC1 ZINC000095966055 286048110 /nfs/dbraw/zinc/04/81/10/286048110.db2.gz FAFLFOJRSGOLNG-AWEZNQCLSA-N 1 0 257.418 2.988 50 0 CFAARO COc1cc2c(cc1OC)[C@H](c1cccc(O)c1)[NH2+]CC2 ZINC000019703127 286260798 /nfs/dbraw/zinc/26/07/98/286260798.db2.gz HUSVDZILYMCMGA-KRWDZBQOSA-N 1 0 285.343 2.645 50 0 CFAARO COc1cc2c(cc1OC)[C@H](c1ccc(O)cc1)[NH2+]CC2 ZINC000019228462 286260897 /nfs/dbraw/zinc/26/08/97/286260897.db2.gz ZTQXEYAKPXBTSL-KRWDZBQOSA-N 1 0 285.343 2.645 50 0 CFAARO Cc1nc([C@@H]2CCC[NH2+]C2)n(-c2cccc(C)c2C)n1 ZINC000825292223 782008922 /nfs/dbraw/zinc/00/89/22/782008922.db2.gz YAZLQCHQYIBKOA-CQSZACIVSA-N 1 0 270.380 2.660 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCCOc2c3ccccc3ccc21)C(N)=O ZINC000097085772 287058277 /nfs/dbraw/zinc/05/82/77/287058277.db2.gz CSFFGUAMSVUWRA-IAQYHMDHSA-N 1 0 284.359 2.517 50 0 CFAARO C[NH+](C)CCCOc1ccccc1Br ZINC000002823408 169834701 /nfs/dbraw/zinc/83/47/01/169834701.db2.gz QVYOZYDEZRIFFV-UHFFFAOYSA-N 1 0 258.159 2.780 50 0 CFAARO COc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000002899468 169843033 /nfs/dbraw/zinc/84/30/33/169843033.db2.gz HHRHPGKHCDEDDE-UHFFFAOYSA-N 1 0 285.343 2.756 50 0 CFAARO Cc1ccccc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000003261052 169873107 /nfs/dbraw/zinc/87/31/07/169873107.db2.gz YYQVLKGWYJBQSM-UHFFFAOYSA-N 1 0 279.453 2.869 50 0 CFAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccccc1F ZINC000003314803 169877605 /nfs/dbraw/zinc/87/76/05/169877605.db2.gz KTWFNKWCEUHRDY-NSHDSACASA-N 1 0 253.317 2.713 50 0 CFAARO COc1cccc(OC[C@@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000003865195 169917777 /nfs/dbraw/zinc/91/77/77/169917777.db2.gz UGOAGCAVPCSLHF-KFWWJZLASA-N 1 0 293.407 2.698 50 0 CFAARO CCCCOc1ccc([C@H]([NH3+])CC(=O)OCC)cc1 ZINC000004237674 169946852 /nfs/dbraw/zinc/94/68/52/169946852.db2.gz FLGOHNJLZLMFIS-CQSZACIVSA-N 1 0 265.353 2.819 50 0 CFAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OC ZINC000004413607 169966363 /nfs/dbraw/zinc/96/63/63/169966363.db2.gz GJJGSUFNUSQQFT-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000004723241 170005586 /nfs/dbraw/zinc/00/55/86/170005586.db2.gz MLOHPDFHPUZMAS-QGZVFWFLSA-N 1 0 286.419 2.911 50 0 CFAARO CCCCc1nn(-c2ccccc2)[n+](-c2ccccc2)n1 ZINC000004819883 170023318 /nfs/dbraw/zinc/02/33/18/170023318.db2.gz FMWQHEBABAZGEO-UHFFFAOYSA-N 1 0 279.367 2.887 50 0 CFAARO Cc1cc(OCCC[NH2+]C[C@@H](C)O)cc(C(C)C)c1 ZINC000004833823 170026670 /nfs/dbraw/zinc/02/66/70/170026670.db2.gz HZLFDIZQBPWQGL-CQSZACIVSA-N 1 0 265.397 2.858 50 0 CFAARO CC[NH+](CC)CCNc1ccc(C(F)(F)F)cn1 ZINC000004840095 170027446 /nfs/dbraw/zinc/02/74/46/170027446.db2.gz CZLJHKVNUKFLRL-UHFFFAOYSA-N 1 0 261.291 2.854 50 0 CFAARO CCC[NH+]1CCC(NC(=S)NC2CCCCC2)CC1 ZINC000005041497 170059468 /nfs/dbraw/zinc/05/94/68/170059468.db2.gz ZSQVCAQUJLMFHQ-UHFFFAOYSA-N 1 0 283.485 2.658 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCCC2)c1 ZINC000005050315 170061293 /nfs/dbraw/zinc/06/12/93/170061293.db2.gz KCOMMXRZITWHOL-OAHLLOKOSA-N 1 0 263.381 2.575 50 0 CFAARO O[C@H](COCc1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000005073879 170064284 /nfs/dbraw/zinc/06/42/84/170064284.db2.gz WPJZTIVXTMTTDV-IBGZPJMESA-N 1 0 297.398 2.622 50 0 CFAARO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1 ZINC000005171584 170073019 /nfs/dbraw/zinc/07/30/19/170073019.db2.gz RXEDPFOIQRFAIZ-ZBFHGGJFSA-N 1 0 271.360 2.777 50 0 CFAARO CC(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005292632 170083692 /nfs/dbraw/zinc/08/36/92/170083692.db2.gz YWZXRDGRFOKYLH-UHFFFAOYSA-N 1 0 274.408 2.813 50 0 CFAARO CC[C@H](C)[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000005907925 170153590 /nfs/dbraw/zinc/15/35/90/170153590.db2.gz MICBYRQQQLDCNS-ZDUSSCGKSA-N 1 0 292.423 2.868 50 0 CFAARO COc1ccc(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000006007647 170167824 /nfs/dbraw/zinc/16/78/24/170167824.db2.gz OXMWHERAWFMKDW-QLFBSQMISA-N 1 0 293.407 2.698 50 0 CFAARO CC[NH+](CC)CCCNC(=O)/C(C)=C/c1ccccc1 ZINC000006205155 170182684 /nfs/dbraw/zinc/18/26/84/170182684.db2.gz SOOWYGQLUVEAEP-CCEZHUSRSA-N 1 0 274.408 2.938 50 0 CFAARO Cc1cc(C)cc(NC2=NC3(CCCCC3)NC(=[NH2+])N2)c1 ZINC000006549386 170212027 /nfs/dbraw/zinc/21/20/27/170212027.db2.gz YGRSHCRKYDOMSA-UHFFFAOYSA-N 1 0 285.395 2.650 50 0 CFAARO COc1ccccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000006698204 170227285 /nfs/dbraw/zinc/22/72/85/170227285.db2.gz LSIVUXZIDFEREV-UHFFFAOYSA-N 1 0 291.395 2.690 50 0 CFAARO CCOc1cc(/C=C2/[C@H](O)C3CC[NH+]2CC3)ccc1OC ZINC000006701149 170229286 /nfs/dbraw/zinc/22/92/86/170229286.db2.gz JKFJZEMXJWAHRS-OOXMNIKJSA-N 1 0 289.375 2.521 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](CCOc2cccc(C)c2)C1 ZINC000006702374 170229647 /nfs/dbraw/zinc/22/96/47/170229647.db2.gz KYWBWUCZGVWJDG-OAHLLOKOSA-N 1 0 291.391 2.649 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1C=CCC1 ZINC000006847242 170248655 /nfs/dbraw/zinc/24/86/55/170248655.db2.gz CYHCPUOYEVPMDI-AWEZNQCLSA-N 1 0 272.392 2.721 50 0 CFAARO CCCCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000007261253 170273865 /nfs/dbraw/zinc/27/38/65/170273865.db2.gz BFJWNCSZXYOZAI-UHFFFAOYSA-N 1 0 267.369 2.992 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000007636286 170294329 /nfs/dbraw/zinc/29/43/29/170294329.db2.gz VFTQWCJTJYHRER-GOSISDBHSA-N 1 0 297.398 2.793 50 0 CFAARO CCCOc1ccc(C2[N+](=O)C(C)(C)N(O)C2(C)C)cc1 ZINC000007813432 170304194 /nfs/dbraw/zinc/30/41/94/170304194.db2.gz ZWQCAGJRLZLUKT-UHFFFAOYSA-N 1 0 292.379 2.994 50 0 CFAARO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCC ZINC000008253899 170327406 /nfs/dbraw/zinc/32/74/06/170327406.db2.gz DPHQXJFQNMONLP-SNVBAGLBSA-N 1 0 287.787 2.608 50 0 CFAARO CCOc1ccc2ccccc2c1CNCCC[NH2+]C ZINC000008325078 170331446 /nfs/dbraw/zinc/33/14/46/170331446.db2.gz DZBWLJMBGMBBCI-UHFFFAOYSA-N 1 0 272.392 2.938 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2)CC1 ZINC000008987746 170360677 /nfs/dbraw/zinc/36/06/77/170360677.db2.gz OJRVEZFJGLGZMH-UHFFFAOYSA-N 1 0 261.369 2.601 50 0 CFAARO Cc1ccc(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000009484470 170378584 /nfs/dbraw/zinc/37/85/84/170378584.db2.gz QDVFLEYMBLKEOH-SFHVURJKSA-N 1 0 296.414 2.957 50 0 CFAARO CCCNC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000015866517 170680974 /nfs/dbraw/zinc/68/09/74/170680974.db2.gz ANVVJBGLQUDRPN-UHFFFAOYSA-N 1 0 281.444 2.550 50 0 CFAARO [NH3+][C@@H](C(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000019430557 170797353 /nfs/dbraw/zinc/79/73/53/170797353.db2.gz WTBHDUVPSBMPNS-MRXNPFEDSA-N 1 0 277.327 2.873 50 0 CFAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000019496026 170814897 /nfs/dbraw/zinc/81/48/97/170814897.db2.gz QUPQDKOKZREOSB-WBVHZDCISA-N 1 0 273.424 2.778 50 0 CFAARO [NH3+]CC[C@@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000019703340 170842241 /nfs/dbraw/zinc/84/22/41/170842241.db2.gz MKOAKVRHQLKHLN-OAHLLOKOSA-N 1 0 266.344 2.666 50 0 CFAARO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2Cl)C[C@H](C)O1 ZINC000019841552 170890068 /nfs/dbraw/zinc/89/00/68/170890068.db2.gz ZYEQBWIZWOSDMQ-RYUDHWBXSA-N 1 0 296.798 2.778 50 0 CFAARO C[NH+](C)CCCSc1nnc2c3ccccc3[nH]c2n1 ZINC000019989790 170962420 /nfs/dbraw/zinc/96/24/20/170962420.db2.gz MIOMSXZWOGHPES-UHFFFAOYSA-N 1 0 287.392 2.502 50 0 CFAARO Fc1cccc(Cl)c1CNCC[NH+]1CCCC1 ZINC000020126957 171012473 /nfs/dbraw/zinc/01/24/73/171012473.db2.gz MEQKGZSMSPYRPD-UHFFFAOYSA-N 1 0 256.752 2.665 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+]Cc1cccc(O)c1 ZINC000020186703 171050715 /nfs/dbraw/zinc/05/07/15/171050715.db2.gz FQTIBYYRYPPUCP-UHFFFAOYSA-N 1 0 281.359 2.840 50 0 CFAARO Brc1ccc(OCC[NH2+]C2CC2)cc1 ZINC000020361137 171159622 /nfs/dbraw/zinc/15/96/22/171159622.db2.gz TWADDQVFJFGKIT-UHFFFAOYSA-N 1 0 256.143 2.580 50 0 CFAARO [NH3+]CCSCCOc1cccc(Br)c1 ZINC000020399332 171181314 /nfs/dbraw/zinc/18/13/14/171181314.db2.gz ICOXAMUEBNDJNL-UHFFFAOYSA-N 1 0 276.199 2.520 50 0 CFAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(C)o1)C2 ZINC000020406967 171183207 /nfs/dbraw/zinc/18/32/07/171183207.db2.gz ZIELKUIDXCQXSB-ZDUSSCGKSA-N 1 0 273.332 2.690 50 0 CFAARO COc1cccc(C[NH2+][C@@H]2COc3ccccc3C2)c1OC ZINC000020453362 171208002 /nfs/dbraw/zinc/20/80/02/171208002.db2.gz ZFGKVZCGFVCFQW-HNNXBMFYSA-N 1 0 299.370 2.797 50 0 CFAARO Cc1ncc2c(c1-c1noc([C@@H]3CC=CCC3)n1)CC[NH2+]C2 ZINC000020820558 171273542 /nfs/dbraw/zinc/27/35/42/171273542.db2.gz SPGZNTQLNMQCSB-GFCCVEGCSA-N 1 0 296.374 2.909 50 0 CFAARO C[C@H](c1ccc(-c2nc3c[nH]n(C)c-3n2)cc1)[NH+](C)C ZINC000020857415 171276486 /nfs/dbraw/zinc/27/64/86/171276486.db2.gz VXVDMUUCRQSZME-SNVBAGLBSA-N 1 0 269.352 2.586 50 0 CFAARO CCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000020927600 171280546 /nfs/dbraw/zinc/28/05/46/171280546.db2.gz TVWBRKHLPOVGNF-UHFFFAOYSA-N 1 0 258.159 2.957 50 0 CFAARO CCCOc1ccc(C[NH2+]CCOC)cc1OCC ZINC000020933400 171280985 /nfs/dbraw/zinc/28/09/85/171280985.db2.gz KHROAPURXBVOSJ-UHFFFAOYSA-N 1 0 267.369 2.610 50 0 CFAARO CCCOc1cccc(CNCCC[NH+](C)C)c1 ZINC000020967350 171282462 /nfs/dbraw/zinc/28/24/62/171282462.db2.gz KQEGUNOKDCFQLR-UHFFFAOYSA-N 1 0 250.386 2.517 50 0 CFAARO COc1ccc(C[C@@H]2C[N@H+](CCCSC)CCO2)cc1 ZINC000020999837 171284341 /nfs/dbraw/zinc/28/43/41/171284341.db2.gz PKNPOSBQJSLZKY-MRXNPFEDSA-N 1 0 295.448 2.692 50 0 CFAARO CC(C)c1cccc(OCCC[NH+]2CCN(C)CC2)c1 ZINC000022037108 171350158 /nfs/dbraw/zinc/35/01/58/171350158.db2.gz PTXUESWUCCHBST-UHFFFAOYSA-N 1 0 276.424 2.826 50 0 CFAARO C[C@@H](Cc1ccccc1F)[NH2+]CCN1CCCCC1 ZINC000022455418 171388457 /nfs/dbraw/zinc/38/84/57/171388457.db2.gz OASVWNOZXMIQOY-AWEZNQCLSA-N 1 0 264.388 2.832 50 0 CFAARO CC[NH+]1CCN(Cc2c(OC)ccc3ccccc32)CC1 ZINC000022466095 171388702 /nfs/dbraw/zinc/38/87/02/171388702.db2.gz UNUWBECYDXLQQP-UHFFFAOYSA-N 1 0 284.403 2.986 50 0 CFAARO CC[C@H](C)[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000032529838 171731712 /nfs/dbraw/zinc/73/17/12/171731712.db2.gz XMWITFRDNMQRIN-YWPYICTPSA-N 1 0 253.361 2.753 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C(C)(C)C(F)F ZINC000657917294 414051527 /nfs/dbraw/zinc/05/15/27/414051527.db2.gz BYXZZPISZZQOBB-NEPJUHHUSA-N 1 0 298.381 2.715 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000037228636 173049042 /nfs/dbraw/zinc/04/90/42/173049042.db2.gz BIMFGEUQFLABQT-UHFFFAOYSA-N 1 0 262.397 2.659 50 0 CFAARO C[C@@H](NC(=O)OC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000037747744 173669373 /nfs/dbraw/zinc/66/93/73/173669373.db2.gz BLDKWHXLDRAEJG-SNVBAGLBSA-N 1 0 250.342 2.731 50 0 CFAARO CCN(C(=O)C[NH2+]CC1CC1)[C@H](C)c1ccc(F)cc1 ZINC000037816041 173765247 /nfs/dbraw/zinc/76/52/47/173765247.db2.gz PSILBIQYHBVNHB-GFCCVEGCSA-N 1 0 278.371 2.735 50 0 CFAARO NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000039987521 174181760 /nfs/dbraw/zinc/18/17/60/174181760.db2.gz RHBYZSVXOUHGNK-MRXNPFEDSA-N 1 0 268.360 2.680 50 0 CFAARO CCC[N@@H+]1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000040119936 174193118 /nfs/dbraw/zinc/19/31/18/174193118.db2.gz NOSGZALWANJAGP-UHFFFAOYSA-N 1 0 262.397 2.613 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccsc1 ZINC000040465783 174275114 /nfs/dbraw/zinc/27/51/14/174275114.db2.gz AETXOHWYLCBCSU-LBPRGKRZSA-N 1 0 266.410 2.581 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)c1cc2cc(F)ccc2[nH]1 ZINC000040496187 174295196 /nfs/dbraw/zinc/29/51/96/174295196.db2.gz YTPLSZYLSCSBLV-UHFFFAOYSA-N 1 0 289.354 2.523 50 0 CFAARO CCOc1cc(C[NH2+]CCCCO)cc(Cl)c1OC ZINC000040721074 174385252 /nfs/dbraw/zinc/38/52/52/174385252.db2.gz GCRGGJWDHOSLBN-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO OC1(C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000043367924 175027688 /nfs/dbraw/zinc/02/76/88/175027688.db2.gz BROXBGWEKOTEGT-UHFFFAOYSA-N 1 0 259.271 2.576 50 0 CFAARO COc1ccc(C[NH2+]CCC(=O)NC2CCCCC2)cc1 ZINC000045089690 175304882 /nfs/dbraw/zinc/30/48/82/175304882.db2.gz CRQKPJJTJMIYAC-UHFFFAOYSA-N 1 0 290.407 2.624 50 0 CFAARO C[N@H+](CCn1c(=O)oc2ccccc21)Cc1ccsc1 ZINC000046582663 175398037 /nfs/dbraw/zinc/39/80/37/175398037.db2.gz GDAVZMOTONIQOK-UHFFFAOYSA-N 1 0 288.372 2.788 50 0 CFAARO CCCCCC[NH+]1CCC(Cn2cc([C@@H](C)O)nn2)CC1 ZINC000063870820 175689359 /nfs/dbraw/zinc/68/93/59/175689359.db2.gz FSZFDBCEFRQSNT-CQSZACIVSA-N 1 0 294.443 2.624 50 0 CFAARO Cc1[nH]c2c(cccc2C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)c1C ZINC000067934849 175803121 /nfs/dbraw/zinc/80/31/21/175803121.db2.gz SNDWQWDWNZNKMO-CABCVRRESA-N 1 0 297.402 2.638 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000070173063 175877959 /nfs/dbraw/zinc/87/79/59/175877959.db2.gz ZAPSCTNNCKRANX-GHMZBOCLSA-N 1 0 298.789 2.607 50 0 CFAARO [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(F)c(Cl)c2)C1 ZINC000070578201 175993836 /nfs/dbraw/zinc/99/38/36/175993836.db2.gz YVJNYFSHEFAGCU-MNOVXSKESA-N 1 0 284.762 2.613 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000071144023 176041309 /nfs/dbraw/zinc/04/13/09/176041309.db2.gz ZUFUASUVNUZTEY-VIFPVBQESA-N 1 0 287.190 2.675 50 0 CFAARO CN(C)C(=O)c1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000071707889 176248479 /nfs/dbraw/zinc/24/84/79/176248479.db2.gz BJSXJWLXAIACPW-UHFFFAOYSA-N 1 0 280.371 2.701 50 0 CFAARO COc1ccc(-c2cccc3c2CC[NH2+]C3)cc1CO ZINC000071764284 176261637 /nfs/dbraw/zinc/26/16/37/176261637.db2.gz OCJXCAWXGPXDMX-UHFFFAOYSA-N 1 0 269.344 2.500 50 0 CFAARO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc2ccccc2n1 ZINC000071834738 176273525 /nfs/dbraw/zinc/27/35/25/176273525.db2.gz VGUOMJQXXBUHOE-OAHLLOKOSA-N 1 0 297.402 2.791 50 0 CFAARO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000071915684 176299454 /nfs/dbraw/zinc/29/94/54/176299454.db2.gz QMGQKLUDQDASHZ-JKSUJKDBSA-N 1 0 281.371 2.750 50 0 CFAARO C[NH+]1CCC(CCNC(=O)Nc2ccccc2)CC1 ZINC000072115514 176318186 /nfs/dbraw/zinc/31/81/86/176318186.db2.gz GIYJJUSQSGGXLK-UHFFFAOYSA-N 1 0 261.369 2.540 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)Cc2cccc3ccccc32)CC1 ZINC000072143032 176324133 /nfs/dbraw/zinc/32/41/33/176324133.db2.gz UFSROEFCQJJIHH-INIZCTEOSA-N 1 0 282.387 2.722 50 0 CFAARO Cn1c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc2ccccc21 ZINC000072156287 176328553 /nfs/dbraw/zinc/32/85/53/176328553.db2.gz MAHPYLYZPJIVFH-HNNXBMFYSA-N 1 0 299.418 2.735 50 0 CFAARO c1ccc(CO[C@@H]2CCC[N@H+](Cc3ccncc3)C2)nc1 ZINC000072154637 176328920 /nfs/dbraw/zinc/32/89/20/176328920.db2.gz MWBDLLAONPZZRE-QGZVFWFLSA-N 1 0 283.375 2.658 50 0 CFAARO Cc1ncc2c(c1CNc1ccc3cc[nH]c3n1)CC[NH2+]C2 ZINC000072162392 176330057 /nfs/dbraw/zinc/33/00/57/176330057.db2.gz DKQZAVZXDOAOJX-UHFFFAOYSA-N 1 0 293.374 2.524 50 0 CFAARO CCn1nc(C)c(C[NH+]2CC(c3cccnc3)C2)c1C ZINC000072164366 176330329 /nfs/dbraw/zinc/33/03/29/176330329.db2.gz LLPTVZGIZHMMEB-UHFFFAOYSA-N 1 0 270.380 2.514 50 0 CFAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270614 176354399 /nfs/dbraw/zinc/35/43/99/176354399.db2.gz GEOABTIRDKJGJY-LBPRGKRZSA-N 1 0 289.354 2.937 50 0 CFAARO CCCC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000072273649 176355452 /nfs/dbraw/zinc/35/54/52/176355452.db2.gz KURGEJZNTYVFGY-UHFFFAOYSA-N 1 0 274.408 2.910 50 0 CFAARO c1csc(CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000072278797 176357122 /nfs/dbraw/zinc/35/71/22/176357122.db2.gz DDHQXMFNMOZRGG-GFCCVEGCSA-N 1 0 261.394 2.893 50 0 CFAARO Cc1cc(Nc2ccccn2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072343459 176372100 /nfs/dbraw/zinc/37/21/00/176372100.db2.gz NYQKTIRVZVATCU-ZDUSSCGKSA-N 1 0 268.364 2.996 50 0 CFAARO c1cc2ccc(-c3noc(CC[NH+]4CCCC4)n3)cc2[nH]1 ZINC000072405930 176397698 /nfs/dbraw/zinc/39/76/98/176397698.db2.gz KVIJOUKLMDBCEL-UHFFFAOYSA-N 1 0 282.347 2.856 50 0 CFAARO CC[C@H](NC(=O)CCC[NH+]1CCCCC1)c1nccs1 ZINC000073859702 176497011 /nfs/dbraw/zinc/49/70/11/176497011.db2.gz GUSUMNOPOJJYEK-ZDUSSCGKSA-N 1 0 295.452 2.977 50 0 CFAARO CN(Cc1cnn(-c2ccccc2)c1)c1cc[nH+]cc1 ZINC000077375989 177260796 /nfs/dbraw/zinc/26/07/96/177260796.db2.gz HUOUQCXFTFUWBT-UHFFFAOYSA-N 1 0 264.332 2.904 50 0 CFAARO CC(C)c1ccc(CC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000077538809 177279221 /nfs/dbraw/zinc/27/92/21/177279221.db2.gz BAKFHTXTAMPJPK-DLBZAZTESA-N 1 0 286.419 2.515 50 0 CFAARO O=C(CCCc1ccc(Cl)cc1)NCC[C@@H]1CCC[NH2+]1 ZINC000077566059 177281099 /nfs/dbraw/zinc/28/10/99/177281099.db2.gz QBKNDGJNTUNYIQ-HNNXBMFYSA-N 1 0 294.826 2.921 50 0 CFAARO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(=O)c(O)co1 ZINC000078876605 177399478 /nfs/dbraw/zinc/39/94/78/177399478.db2.gz NIEGGARWBGFQNQ-AWEZNQCLSA-N 1 0 287.359 2.799 50 0 CFAARO O=C(CC[NH2+]C/C=C/c1ccccc1)NC1CCCC1 ZINC000078979846 177411210 /nfs/dbraw/zinc/41/12/10/177411210.db2.gz ACQDCHBABPNMKS-RMKNXTFCSA-N 1 0 272.392 2.738 50 0 CFAARO OCc1ccccc1OCCCC[NH+]1CCCCC1 ZINC000016488587 260099114 /nfs/dbraw/zinc/09/91/14/260099114.db2.gz SIONPQLRDMHSGS-UHFFFAOYSA-N 1 0 263.381 2.824 50 0 CFAARO C[C@@H]1C[N@@H+](CCCCOc2ccccc2C=O)C[C@H](C)O1 ZINC000016488864 260099214 /nfs/dbraw/zinc/09/92/14/260099214.db2.gz GSNQACBCCPLQSX-GASCZTMLSA-N 1 0 291.391 2.767 50 0 CFAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(F)cc1C ZINC000040103541 273641498 /nfs/dbraw/zinc/64/14/98/273641498.db2.gz QKYZKEBTHOBLKL-GFCCVEGCSA-N 1 0 281.375 2.986 50 0 CFAARO CC[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000177970410 273749555 /nfs/dbraw/zinc/74/95/55/273749555.db2.gz QSPOTVYNAFDNEQ-ROUUACIJSA-N 1 0 294.398 2.898 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1Cl ZINC000044541990 274951281 /nfs/dbraw/zinc/95/12/81/274951281.db2.gz FLPJUYWCZOUABH-SECBINFHSA-N 1 0 287.190 2.947 50 0 CFAARO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000011754531 274997062 /nfs/dbraw/zinc/99/70/62/274997062.db2.gz MEMMETZAYQYAED-JTQLQIEISA-N 1 0 259.136 2.684 50 0 CFAARO OCC[N@H+](C[C@@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000246299439 275046461 /nfs/dbraw/zinc/04/64/61/275046461.db2.gz BWDKFUHKEYTHNR-RBUKOAKNSA-N 1 0 297.398 2.702 50 0 CFAARO c1coc(CNc2ncnc3sc4c(c32)CC[NH2+]C4)c1 ZINC000065373517 275074919 /nfs/dbraw/zinc/07/49/19/275074919.db2.gz HOZOYGZRYXTFIN-UHFFFAOYSA-N 1 0 286.360 2.542 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000096292604 275398797 /nfs/dbraw/zinc/39/87/97/275398797.db2.gz UISWANSAYHUFBF-IVOILVROSA-N 1 0 282.391 2.594 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@@H]2CSCc3ccccc32)C1=O ZINC000089729223 275644239 /nfs/dbraw/zinc/64/42/39/275644239.db2.gz ULPQQAKRACYDCT-LSDHHAIUSA-N 1 0 290.432 2.573 50 0 CFAARO CC(C)C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc32)CCO1 ZINC000453183121 275908641 /nfs/dbraw/zinc/90/86/41/275908641.db2.gz NLBDXCCTTPTULX-MGPQQGTHSA-N 1 0 263.385 2.511 50 0 CFAARO CCS(=O)(=O)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123152107 276388209 /nfs/dbraw/zinc/38/82/09/276388209.db2.gz YRGPDYJRLDAQHO-GJZGRUSLSA-N 1 0 295.448 2.593 50 0 CFAARO C[NH+](C)C[C@H]1CCCC[C@]1(O)c1cccc(Cl)n1 ZINC000006169228 276768353 /nfs/dbraw/zinc/76/83/53/276768353.db2.gz ZPJVABJQJKDWFQ-BXUZGUMPSA-N 1 0 268.788 2.674 50 0 CFAARO CC(C)(C)N1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070294136 277149174 /nfs/dbraw/zinc/14/91/74/277149174.db2.gz DXTIKWSWIMBCNY-YPMHNXCESA-N 1 0 284.762 2.878 50 0 CFAARO COc1cc2c(cc1OC)[C@H](c1ccc(N)cc1)[NH2+]CC2 ZINC000020230725 277394744 /nfs/dbraw/zinc/39/47/44/277394744.db2.gz PNGKDQOXYUVJTL-KRWDZBQOSA-N 1 0 284.359 2.521 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C[C@H]1C ZINC000253369396 277797399 /nfs/dbraw/zinc/79/73/99/277797399.db2.gz CAYRTYGZROLKMR-UPJWGTAASA-N 1 0 275.458 2.614 50 0 CFAARO CC[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccncc1 ZINC000156002762 288034533 /nfs/dbraw/zinc/03/45/33/288034533.db2.gz MNFHWPBHGGISMR-HNNXBMFYSA-N 1 0 276.380 2.808 50 0 CFAARO CC(C)CO[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040520872 278929494 /nfs/dbraw/zinc/92/94/94/278929494.db2.gz MABZHSKZPRCYRE-OLZOCXBDSA-N 1 0 298.452 2.528 50 0 CFAARO CC[NH+](CC)CCN1C(C)=CC(C)=C[C@H](C)C1=O ZINC000002039142 279103061 /nfs/dbraw/zinc/10/30/61/279103061.db2.gz YHGBLDSNMDEQDX-ZDUSSCGKSA-N 1 0 250.386 2.657 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(O)CC1 ZINC000000214039 279378933 /nfs/dbraw/zinc/37/89/33/279378933.db2.gz UICGKTQNACABIT-VCANKDNSSA-N 1 0 251.345 2.650 50 0 CFAARO C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000158074150 279392761 /nfs/dbraw/zinc/39/27/61/279392761.db2.gz SURDROQTWMXIDT-KSSFIOAISA-N 1 0 294.398 2.702 50 0 CFAARO FC(F)(F)COCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000225635730 279438492 /nfs/dbraw/zinc/43/84/92/279438492.db2.gz XVUSCYGILOOOLG-LLVKDONJSA-N 1 0 281.318 2.504 50 0 CFAARO FC(F)(F)c1ccccc1C1(N2CC[NH2+]CC2)CC1 ZINC000051943585 279444033 /nfs/dbraw/zinc/44/40/33/279444033.db2.gz UXLZUUBJCAEXQU-UHFFFAOYSA-N 1 0 270.298 2.600 50 0 CFAARO C[C@]1(c2ccccc2)CCC(=O)N(CC2CC[NH2+]CC2)C1 ZINC000091536149 280171794 /nfs/dbraw/zinc/17/17/94/280171794.db2.gz PADJSIXXLMJUPM-SFHVURJKSA-N 1 0 286.419 2.566 50 0 CFAARO O[C@]1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCSC1 ZINC000225464453 280449563 /nfs/dbraw/zinc/44/95/63/280449563.db2.gz QYZZUDIEASFEAN-DCAQKATOSA-N 1 0 283.359 2.565 50 0 CFAARO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)CCOC(C)C ZINC000221933946 281041643 /nfs/dbraw/zinc/04/16/43/281041643.db2.gz VZECPGIGXOOZLN-GJZGRUSLSA-N 1 0 257.418 2.817 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CC1 ZINC000000052225 281099063 /nfs/dbraw/zinc/09/90/63/281099063.db2.gz KJALNEGZZLQEGT-HOCLYGCPSA-N 1 0 270.376 2.539 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CC1 ZINC000004143374 281127172 /nfs/dbraw/zinc/12/71/72/281127172.db2.gz KJALNEGZZLQEGT-ZBFHGGJFSA-N 1 0 270.376 2.539 50 0 CFAARO CCc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[nH]1 ZINC000426716194 281400257 /nfs/dbraw/zinc/40/02/57/281400257.db2.gz VEHHPINKWIFASF-KRWDZBQOSA-N 1 0 299.418 2.918 50 0 CFAARO Cc1[nH+]c(-c2ccc(Br)cc2)c(N)n1C ZINC000100639718 281797505 /nfs/dbraw/zinc/79/75/05/281797505.db2.gz YHCWGTUUTGHKPR-UHFFFAOYSA-N 1 0 266.142 2.740 50 0 CFAARO Cc1nc2c(c(N3CCC[C@H]([NH+](C)C)CC3)n1)CCCC2 ZINC000242346945 282010153 /nfs/dbraw/zinc/01/01/53/282010153.db2.gz ZKLFDNQIWVCDQK-AWEZNQCLSA-N 1 0 288.439 2.584 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000096493555 288893411 /nfs/dbraw/zinc/89/34/11/288893411.db2.gz KFESMGRJJXQKMO-ISGRIPCHSA-N 1 0 283.318 2.562 50 0 CFAARO [NH2+]=C1N[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)N1 ZINC000000154904 295210038 /nfs/dbraw/zinc/21/00/38/295210038.db2.gz JDIPIUIHXUDIOV-KBPBESRZSA-N 1 0 299.761 2.551 50 0 CFAARO COc1ccc([C@@H](C)[NH2+][C@]2(C)CCOC2)c(F)c1 ZINC000097038526 295210453 /nfs/dbraw/zinc/21/04/53/295210453.db2.gz NBZMJZXIQDGPRB-QMTHXVAHSA-N 1 0 253.317 2.664 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000097234060 297599096 /nfs/dbraw/zinc/59/90/96/297599096.db2.gz UHTOFRUNYUKFAK-LEWSCRJBSA-N 1 0 265.328 2.806 50 0 CFAARO S=C(NC1CC1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000013692117 304849049 /nfs/dbraw/zinc/84/90/49/304849049.db2.gz APAIUMHTLWHOIE-OAHLLOKOSA-N 1 0 295.496 2.754 50 0 CFAARO Fc1ccc(-c2cc(C[NH2+]C3CCOCC3)on2)cc1 ZINC000534591464 328318429 /nfs/dbraw/zinc/31/84/29/328318429.db2.gz QNSKAVDUEHAVLP-UHFFFAOYSA-N 1 0 276.311 2.749 50 0 CFAARO CC(C)c1cc(C[NH2+][C@H](C)CCn2cccn2)no1 ZINC000534657555 328340969 /nfs/dbraw/zinc/34/09/69/328340969.db2.gz CUFBDWPKDGAKGN-GFCCVEGCSA-N 1 0 262.357 2.563 50 0 CFAARO O=C1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)CCN1 ZINC000534676879 328352049 /nfs/dbraw/zinc/35/20/49/328352049.db2.gz IRAQFMLLBLQJLX-ZDUSSCGKSA-N 1 0 278.783 2.587 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000097103600 323618753 /nfs/dbraw/zinc/61/87/53/323618753.db2.gz FCRCDAIKMQHXOG-GJZGRUSLSA-N 1 0 285.395 2.680 50 0 CFAARO Cc1ncccc1C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000154702107 323628529 /nfs/dbraw/zinc/62/85/29/323628529.db2.gz CYAXFWDAPFRVOA-JXFKEZNVSA-N 1 0 288.416 2.599 50 0 CFAARO Cc1cccn2c(C[N@@H+]3CCC[C@@H]3Cn3ccnc3)cnc12 ZINC000188411093 324015012 /nfs/dbraw/zinc/01/50/12/324015012.db2.gz NJDBWIIRYVYXOI-OAHLLOKOSA-N 1 0 295.390 2.504 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)[C@@H](C)C2 ZINC000195553817 324108750 /nfs/dbraw/zinc/10/87/50/324108750.db2.gz IGQDMTPCLDCTMJ-QOFYIIDASA-N 1 0 279.449 2.975 50 0 CFAARO CC(C)(C)[C@H]1CCC[N@H+](CCCS(C)(=O)=O)CC1 ZINC000071909413 327106359 /nfs/dbraw/zinc/10/63/59/327106359.db2.gz HNZZWHREUHORIQ-ZDUSSCGKSA-N 1 0 275.458 2.569 50 0 CFAARO O=C(Cc1ccc(Cl)s1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337810816 330351571 /nfs/dbraw/zinc/35/15/71/330351571.db2.gz LQKZWNRIXLNBQN-QWRGUYRKSA-N 1 0 298.839 2.687 50 0 CFAARO CC(C)Cc1nc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cs1 ZINC000156859549 519454774 /nfs/dbraw/zinc/45/47/74/519454774.db2.gz PUEHJQFWQZRUMQ-DGCLKSJQSA-N 1 0 295.452 2.541 50 0 CFAARO Cc1cccc(/C=C/C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000156535098 524150119 /nfs/dbraw/zinc/15/01/19/524150119.db2.gz AZQDOYMMIVLFEW-IVFUDNFBSA-N 1 0 272.392 2.594 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000241383396 524763504 /nfs/dbraw/zinc/76/35/04/524763504.db2.gz MVBMFASRWLHWOD-HFBAOOFYSA-N 1 0 273.401 2.927 50 0 CFAARO Cc1cc(Cl)cc(C[NH2+]CCC2CC(O)C2)c1 ZINC000339373478 524869761 /nfs/dbraw/zinc/86/97/61/524869761.db2.gz FYOZECWUYWLOOB-UHFFFAOYSA-N 1 0 253.773 2.899 50 0 CFAARO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000096477752 525452814 /nfs/dbraw/zinc/45/28/14/525452814.db2.gz YAZLRYMONBUHKV-IAQYHMDHSA-N 1 0 285.334 2.811 50 0 CFAARO Cc1ccc([C@H](C)CC[N@H+](C)CCc2cnn(C)c2)o1 ZINC000214997885 525876400 /nfs/dbraw/zinc/87/64/00/525876400.db2.gz LMDAUJAYSVGLSL-CYBMUJFWSA-N 1 0 275.396 2.990 50 0 CFAARO c1ccc(C[NH2+]CCN2CCc3ccccc3C2)cc1 ZINC000055482999 526471801 /nfs/dbraw/zinc/47/18/01/526471801.db2.gz QKPOBIJNIZZURG-UHFFFAOYSA-N 1 0 266.388 2.835 50 0 CFAARO O=C1CCCN1c1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000061571820 526978868 /nfs/dbraw/zinc/97/88/68/526978868.db2.gz MTKUZTXQLBGBDY-AWEZNQCLSA-N 1 0 290.432 2.799 50 0 CFAARO Cc1nn(C)cc1-c1csc(C2([NH3+])CCCC2)n1 ZINC000087410334 527688433 /nfs/dbraw/zinc/68/84/33/527688433.db2.gz IYNSESVOYZUUFT-UHFFFAOYSA-N 1 0 262.382 2.580 50 0 CFAARO CC(C)[NH2+]CC(O)(c1ccccc1)c1ccccc1 ZINC000004073689 527734899 /nfs/dbraw/zinc/73/48/99/527734899.db2.gz NYVYHGOULWNYJM-UHFFFAOYSA-N 1 0 255.361 2.921 50 0 CFAARO CCOc1cc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)ccc1O ZINC000004063304 528334980 /nfs/dbraw/zinc/33/49/80/528334980.db2.gz FJRAFGQYLIQWHC-JQFCIGGWSA-N 1 0 291.391 2.747 50 0 CFAARO CC(C)C[C@@H]([NH2+]Cc1ccnn1C)c1ccccn1 ZINC000096476599 528359690 /nfs/dbraw/zinc/35/96/90/528359690.db2.gz KTEQYCIJZNCPNM-OAHLLOKOSA-N 1 0 258.369 2.692 50 0 CFAARO CC(C)Cc1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000408519131 528645264 /nfs/dbraw/zinc/64/52/64/528645264.db2.gz AUEVANPMWBAIHY-YOEHRIQHSA-N 1 0 288.435 2.766 50 0 CFAARO CCn1nncc1C[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000459405051 535928130 /nfs/dbraw/zinc/92/81/30/535928130.db2.gz SNOCBBLWVZMBCA-INIZCTEOSA-N 1 0 288.370 2.986 50 0 CFAARO CCCC[C@H](c1cccnc1)N(C)C(=O)C[NH+]1CCCC1 ZINC000952966986 614488029 /nfs/dbraw/zinc/48/80/29/614488029.db2.gz XZBJOJHALQHIGM-MRXNPFEDSA-N 1 0 289.423 2.867 50 0 CFAARO CCCCc1nc(CN(C)C[C@@]2(C)CC[N@H+](C)C2)c[nH]1 ZINC000952981723 614491159 /nfs/dbraw/zinc/49/11/59/614491159.db2.gz JXPNRIBMVTYTAA-INIZCTEOSA-N 1 0 278.444 2.526 50 0 CFAARO CCC1CC[NH+](CCNc2nc(C)cnc2C)CC1 ZINC000952979116 614714794 /nfs/dbraw/zinc/71/47/94/614714794.db2.gz TYAFHNVOCQCLBE-UHFFFAOYSA-N 1 0 262.401 2.627 50 0 CFAARO C[NH2+]CC(=O)Nc1cc(Cl)ccc1N1CCC[C@@H](C)C1 ZINC000952967495 616937004 /nfs/dbraw/zinc/93/70/04/616937004.db2.gz HZXALJNLWMZOJU-LLVKDONJSA-N 1 0 295.814 2.734 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CNc1nnc(-c2ccccc2)s1 ZINC000090083117 617821637 /nfs/dbraw/zinc/82/16/37/617821637.db2.gz DUDOHUKPQSSQON-GFCCVEGCSA-N 1 0 274.393 2.711 50 0 CFAARO C[C@@H]1C[C@H](C)[NH2+][C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757216205 617891759 /nfs/dbraw/zinc/89/17/59/617891759.db2.gz YMKARCIVNQVYME-WTPMCQDGSA-N 1 0 264.335 2.694 50 0 CFAARO C[C@@H]1C[C@H](C)[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757216204 617892096 /nfs/dbraw/zinc/89/20/96/617892096.db2.gz YMKARCIVNQVYME-LVEVGFFFSA-N 1 0 264.335 2.694 50 0 CFAARO C[C@@H]1C[C@H](C)[NH2+][C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757216203 617892241 /nfs/dbraw/zinc/89/22/41/617892241.db2.gz YMKARCIVNQVYME-DGORSVRFSA-N 1 0 264.335 2.694 50 0 CFAARO Cc1cccc(OCCCCC[NH+]2CCN(C)CC2)c1 ZINC000022184767 618015238 /nfs/dbraw/zinc/01/52/38/618015238.db2.gz JMUSOOKUEOBARZ-UHFFFAOYSA-N 1 0 276.424 2.792 50 0 CFAARO COc1cccc(OCCCCC[NH+]2CCOCC2)c1 ZINC000023115448 618117738 /nfs/dbraw/zinc/11/77/38/618117738.db2.gz BDXFEJWEZXFCHM-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSC(N)=[NH2+] ZINC000003157792 618235707 /nfs/dbraw/zinc/23/57/07/618235707.db2.gz UULDNRPGJFTOQX-OUAUKWLOSA-N 1 0 272.414 2.617 50 0 CFAARO C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019608773 618347168 /nfs/dbraw/zinc/34/71/68/618347168.db2.gz NCKWDNWFEUMYFJ-NVXWUHKLSA-N 1 0 258.409 2.993 50 0 CFAARO c1ccc(CC[NH+]2CCC(OCc3ccccn3)CC2)nc1 ZINC000252504213 618390969 /nfs/dbraw/zinc/39/09/69/618390969.db2.gz VIHHECGNVPEESD-UHFFFAOYSA-N 1 0 297.402 2.700 50 0 CFAARO CC(C)Oc1cncc(-c2ccc3c(c2)C[C@@H]([NH3+])C3)c1 ZINC000935619472 618604669 /nfs/dbraw/zinc/60/46/69/618604669.db2.gz WWBBJPVQLFEXMH-INIZCTEOSA-N 1 0 268.360 2.962 50 0 CFAARO c1csc(Cc2n[nH]c3c2C[N@@H+](C2CCC2)CC3)c1 ZINC000020514487 618805497 /nfs/dbraw/zinc/80/54/97/618805497.db2.gz QAYHZVZSIQDUAP-UHFFFAOYSA-N 1 0 273.405 2.973 50 0 CFAARO C[C@@H](C[C@H](C)SC1CCCCC1)[NH2+]C1(C(N)=O)CC1 ZINC000888096123 619131646 /nfs/dbraw/zinc/13/16/46/619131646.db2.gz LBSBOZJHQQJHOI-RYUDHWBXSA-N 1 0 284.469 2.827 50 0 CFAARO C[C@H](C[C@H](C)SC1CCCCC1)[NH2+]C1(C(N)=O)CC1 ZINC000888096121 619131818 /nfs/dbraw/zinc/13/18/18/619131818.db2.gz LBSBOZJHQQJHOI-NEPJUHHUSA-N 1 0 284.469 2.827 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)CCC2 ZINC000046858472 623103687 /nfs/dbraw/zinc/10/36/87/623103687.db2.gz SVVKMTRMZXJJPS-GFCCVEGCSA-N 1 0 292.448 2.841 50 0 CFAARO OC[C@@H]1CCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000000212829 623602416 /nfs/dbraw/zinc/60/24/16/623602416.db2.gz YZRUHBAGSMUSCT-AWEZNQCLSA-N 1 0 256.349 2.582 50 0 CFAARO C[C@@](O)(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccsc1 ZINC000825290950 623664820 /nfs/dbraw/zinc/66/48/20/623664820.db2.gz AYSUSAHGBDYRBA-VZZFWQQMSA-N 1 0 251.395 2.734 50 0 CFAARO CC(C)c1ccc(N[C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000012434728 626255387 /nfs/dbraw/zinc/25/53/87/626255387.db2.gz QMSSBUBKLVTCNJ-INIZCTEOSA-N 1 0 262.397 2.679 50 0 CFAARO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1scnc1C ZINC000863983674 637832890 /nfs/dbraw/zinc/83/28/90/637832890.db2.gz LZCILZLPBUGRDT-WCQYABFASA-N 1 0 256.415 2.871 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000863984699 637832932 /nfs/dbraw/zinc/83/29/32/637832932.db2.gz ZSPPFMUTXAQTBF-IPYPFGDCSA-N 1 0 274.412 2.708 50 0 CFAARO COc1cccc2c1CCC[C@H]2[NH2+]C1CCOCC1 ZINC000194858305 650731484 /nfs/dbraw/zinc/73/14/84/650731484.db2.gz WFUNIKYMOFHAEO-OAHLLOKOSA-N 1 0 261.365 2.841 50 0 CFAARO [NH3+][C@H](C1CCCCCC1)C1(O)CC(CF)(CF)C1 ZINC000958527901 650989378 /nfs/dbraw/zinc/98/93/78/650989378.db2.gz IMTAIOCXCAUNCN-GFCCVEGCSA-N 1 0 261.356 2.734 50 0 CFAARO C[NH+]1CCC(N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000000220639 651101128 /nfs/dbraw/zinc/10/11/28/651101128.db2.gz WDIIMQFFRSPMKL-UHFFFAOYSA-N 1 0 293.842 2.556 50 0 CFAARO CCCN1CC[N@H+](Cc2sccc2C)CCC1=O ZINC000014989784 651184868 /nfs/dbraw/zinc/18/48/68/651184868.db2.gz KSWSWGJMMSEIPL-UHFFFAOYSA-N 1 0 266.410 2.501 50 0 CFAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)no2)C1 ZINC000194658330 775201707 /nfs/dbraw/zinc/20/17/07/775201707.db2.gz LWMREIMCXIFTJE-CQSZACIVSA-N 1 0 299.374 2.556 50 0 CFAARO C=CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709619556 781316051 /nfs/dbraw/zinc/31/60/51/781316051.db2.gz QPOFVZRQWYSCLL-MRXNPFEDSA-N 1 0 272.392 2.733 50 0 CFAARO C[C@H](C[NH+]1CCCC1)c1ncnn1CCc1ccccc1 ZINC000822279786 781894979 /nfs/dbraw/zinc/89/49/79/781894979.db2.gz LWWIADRSYPFUOF-OAHLLOKOSA-N 1 0 284.407 2.720 50 0 CFAARO CC/C=C\CCC[N@@H+]1CCC[C@@](C)(C(=O)NC)C1 ZINC000822293545 781897532 /nfs/dbraw/zinc/89/75/32/781897532.db2.gz ZINHGYAQGHEFPG-IYKSTZQJSA-N 1 0 252.402 2.581 50 0 CFAARO OCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000096492075 230382967 /nfs/dbraw/zinc/38/29/67/230382967.db2.gz GNBQNDSJMYJWDM-UHFFFAOYSA-N 1 0 259.271 2.667 50 0 CFAARO CCc1cccc(NC(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000095508088 185000732 /nfs/dbraw/zinc/00/07/32/185000732.db2.gz XSKQROYGAOBZRF-OAHLLOKOSA-N 1 0 275.396 2.855 50 0 CFAARO [NH3+]CCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002570473 169811094 /nfs/dbraw/zinc/81/10/94/169811094.db2.gz LRAMQBKQEYONOM-UHFFFAOYSA-N 1 0 296.370 2.874 50 0 CFAARO Brc1cncc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000095961955 185044763 /nfs/dbraw/zinc/04/47/63/185044763.db2.gz JZYRIWOZBWKTRC-DGCLKSJQSA-N 1 0 296.212 2.883 50 0 CFAARO C[C@H](C[NH+](C1CCCC1)C1CCCC1)CS(C)(=O)=O ZINC000095965196 185045208 /nfs/dbraw/zinc/04/52/08/185045208.db2.gz QJDJEHIWFBAHJF-CYBMUJFWSA-N 1 0 287.469 2.854 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CSC(C)(C)C)c1cnn(C)c1 ZINC000095968461 185046409 /nfs/dbraw/zinc/04/64/09/185046409.db2.gz PAGNXIWMYKSZRW-WDEREUQCSA-N 1 0 255.431 2.991 50 0 CFAARO COC[C@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C1CC1 ZINC000095968787 185047402 /nfs/dbraw/zinc/04/74/02/185047402.db2.gz XNJPYRDDKLVDJW-GUYCJALGSA-N 1 0 285.391 2.948 50 0 CFAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCOC2)cc1F ZINC000095969053 185047448 /nfs/dbraw/zinc/04/74/48/185047448.db2.gz GANPCTVYBJTDBX-RISCZKNCSA-N 1 0 289.354 2.759 50 0 CFAARO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccncc1 ZINC000095978215 185052117 /nfs/dbraw/zinc/05/21/17/185052117.db2.gz RJNLUVIFUNWHAW-DGCLKSJQSA-N 1 0 262.378 2.745 50 0 CFAARO C[C@H]1CCc2nc(C[NH2+]C3(CO)CCCC3)sc2C1 ZINC000095980159 185053147 /nfs/dbraw/zinc/05/31/47/185053147.db2.gz QGAJCPUOLFFHKZ-NSHDSACASA-N 1 0 280.437 2.663 50 0 CFAARO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)CC1CC1 ZINC000095984219 185054743 /nfs/dbraw/zinc/05/47/43/185054743.db2.gz WLHVGLHFUUJLPU-ZDUSSCGKSA-N 1 0 260.381 2.514 50 0 CFAARO OCC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000095984989 185055103 /nfs/dbraw/zinc/05/51/03/185055103.db2.gz XJWFUNRCEKHDAD-SNVBAGLBSA-N 1 0 267.678 2.915 50 0 CFAARO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(F)c(Cl)c1 ZINC000095984573 185055316 /nfs/dbraw/zinc/05/53/16/185055316.db2.gz DHOKKQPDWMWAQU-JTQLQIEISA-N 1 0 284.762 2.752 50 0 CFAARO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccncc1 ZINC000095984221 185055467 /nfs/dbraw/zinc/05/54/67/185055467.db2.gz QHOSVPSTIJCYAC-ZDUSSCGKSA-N 1 0 269.348 2.679 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccco2)C12CCCC2 ZINC000095987773 185057088 /nfs/dbraw/zinc/05/70/88/185057088.db2.gz WLDDIBYRQYASLH-NWANDNLSSA-N 1 0 279.380 2.640 50 0 CFAARO CCOc1ccccc1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000095990171 185057701 /nfs/dbraw/zinc/05/77/01/185057701.db2.gz JHJMSUWUQWWBIA-MRXNPFEDSA-N 1 0 297.402 2.849 50 0 CFAARO CC[C@@H](O)C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000096014114 185066651 /nfs/dbraw/zinc/06/66/51/185066651.db2.gz MJFXLOMXQYKZLR-DGCLKSJQSA-N 1 0 260.337 2.763 50 0 CFAARO OC[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000125364092 187181127 /nfs/dbraw/zinc/18/11/27/187181127.db2.gz QHRWAIAEEHRRBY-HOCLYGCPSA-N 1 0 269.429 2.867 50 0 CFAARO Cc1c(C[NH2+][C@H](C)[C@H](C)Oc2ccccc2F)cnn1C ZINC000097021692 185153323 /nfs/dbraw/zinc/15/33/23/185153323.db2.gz UCHVMQJJVVYOMW-YPMHNXCESA-N 1 0 291.370 2.813 50 0 CFAARO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000097034415 185156851 /nfs/dbraw/zinc/15/68/51/185156851.db2.gz HXRUXADPZHKBFF-CQSZACIVSA-N 1 0 278.371 2.707 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)c1cccc(CO)c1 ZINC000097035127 185157730 /nfs/dbraw/zinc/15/77/30/185157730.db2.gz HVNDYLGFQNUVGE-KGLIPLIRSA-N 1 0 298.386 2.857 50 0 CFAARO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(CO)c1 ZINC000097035121 185157736 /nfs/dbraw/zinc/15/77/36/185157736.db2.gz LURJPEGHAXEWQV-DYVFJYSZSA-N 1 0 283.371 2.833 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+]CCc2nc(C)no2)C12CCCCC2 ZINC000097034679 185157797 /nfs/dbraw/zinc/15/77/97/185157797.db2.gz NIMZXWDQUZSUNU-KGLIPLIRSA-N 1 0 293.411 2.638 50 0 CFAARO Cc1ncc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)s1 ZINC000095991154 282153811 /nfs/dbraw/zinc/15/38/11/282153811.db2.gz SIUHTAGCHSBIRW-QRJNDHJOSA-N 1 0 296.436 2.863 50 0 CFAARO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccc(Cl)s1 ZINC000096477057 529605177 /nfs/dbraw/zinc/60/51/77/529605177.db2.gz UDNGWWFKAIEOSN-VIFPVBQESA-N 1 0 295.857 2.877 50 0 CFAARO CC[C@H](O)C[NH+]1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000096473660 529697268 /nfs/dbraw/zinc/69/72/68/529697268.db2.gz REYDGAACIBFPQS-LBPRGKRZSA-N 1 0 291.370 2.652 50 0 CFAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221855428 282258840 /nfs/dbraw/zinc/25/88/40/282258840.db2.gz AMKVLDQRYOCHOU-TYNCELHUSA-N 1 0 263.429 2.994 50 0 CFAARO C[NH+]1CCN(Cc2cccc(NCc3ccoc3)c2)CC1 ZINC000096446412 529774704 /nfs/dbraw/zinc/77/47/04/529774704.db2.gz RNIGCVYBPAEQER-UHFFFAOYSA-N 1 0 285.391 2.639 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000299738439 539357602 /nfs/dbraw/zinc/35/76/02/539357602.db2.gz ATCACFKYFYDCKK-XJKCOSOUSA-N 1 0 292.398 2.590 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000299740279 539361954 /nfs/dbraw/zinc/36/19/54/539361954.db2.gz XWLPDOVOLCZLJI-ZYHUDNBSSA-N 1 0 278.421 2.825 50 0 CFAARO CCn1nc(C)c(C[NH2+]Cc2c(C)nc3ccccn32)c1C ZINC000075093190 347054613 /nfs/dbraw/zinc/05/46/13/347054613.db2.gz RLGGDAVFFLSXHJ-UHFFFAOYSA-N 1 0 297.406 2.766 50 0 CFAARO OCC[NH2+]Cc1csc2ccc(Br)cc12 ZINC000075279511 347064436 /nfs/dbraw/zinc/06/44/36/347064436.db2.gz XKEPOMBBPUIEDM-UHFFFAOYSA-N 1 0 286.194 2.746 50 0 CFAARO CC(C)C[C@@H](C)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000097228526 185568051 /nfs/dbraw/zinc/56/80/51/185568051.db2.gz CETNJDPMMHWXOV-SNVBAGLBSA-N 1 0 263.307 2.970 50 0 CFAARO Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000069665326 539511520 /nfs/dbraw/zinc/51/15/20/539511520.db2.gz ZUAHEXVYJBMJTO-WNRNVDISSA-N 1 0 298.430 2.842 50 0 CFAARO C[NH+](C)CCN1C[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C1 ZINC000000759307 346205759 /nfs/dbraw/zinc/20/57/59/346205759.db2.gz XRNHNPCQILWJPN-HIFRSBDPSA-N 1 0 283.419 2.691 50 0 CFAARO CC[NH2+]C[C@H](O)c1cccc(OC(=O)c2ccccc2C)c1 ZINC000002944420 346206859 /nfs/dbraw/zinc/20/68/59/346206859.db2.gz WDASUJRHAMQBAQ-KRWDZBQOSA-N 1 0 299.370 2.857 50 0 CFAARO CCOc1ccc(/C=C2\[C@H](O)C3CC[NH+]2CC3)cc1 ZINC000004832592 346210678 /nfs/dbraw/zinc/21/06/78/346210678.db2.gz BFTBGHJUBQUVCU-RBFDBLARSA-N 1 0 259.349 2.513 50 0 CFAARO C[C@@H](COC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000004855985 346210754 /nfs/dbraw/zinc/21/07/54/346210754.db2.gz XLDFOJQHGJNJKW-DOTOQJQBSA-N 1 0 277.408 2.654 50 0 CFAARO CC[NH+](CC)C[C@@H](O)CSc1ccc(C)cc1 ZINC000019799462 346242385 /nfs/dbraw/zinc/24/23/85/346242385.db2.gz KELKRRMRKNGFAT-CYBMUJFWSA-N 1 0 253.411 2.790 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)c1 ZINC000022018070 346247062 /nfs/dbraw/zinc/24/70/62/346247062.db2.gz LKOGBRXABVWQOD-JYJNAYRXSA-N 1 0 261.365 2.651 50 0 CFAARO COc1cc(/C=C/c2cccc[n+]2C)cc(OC)c1OC ZINC000032106454 346300406 /nfs/dbraw/zinc/30/04/06/346300406.db2.gz HCBCWWGZTKXYPU-CMDGGOBGSA-N 1 0 286.351 2.707 50 0 CFAARO c1ccc(CCCN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000032517871 346305403 /nfs/dbraw/zinc/30/54/03/346305403.db2.gz WVFUKDMILYTKSV-KRWDZBQOSA-N 1 0 258.409 2.789 50 0 CFAARO C[NH2+]CCCNC(=O)c1cccc(-c2ccc(C)o2)c1 ZINC000097785145 185667775 /nfs/dbraw/zinc/66/77/75/185667775.db2.gz CWZLTPNEZPTYKA-UHFFFAOYSA-N 1 0 272.348 2.594 50 0 CFAARO C[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000036403767 346322855 /nfs/dbraw/zinc/32/28/55/346322855.db2.gz YLLDNFBWFYNMME-PBHICJAKSA-N 1 0 286.419 2.912 50 0 CFAARO O=C(N[C@@H]1CCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066176415 346749848 /nfs/dbraw/zinc/74/98/48/346749848.db2.gz UTZGPSBONYRDNX-NVXWUHKLSA-N 1 0 299.418 2.554 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000076057864 347117041 /nfs/dbraw/zinc/11/70/41/347117041.db2.gz BTYKJYZJTHYAEC-ZWNOBZJWSA-N 1 0 296.798 2.670 50 0 CFAARO c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccccn2)cc1 ZINC000078988883 347283822 /nfs/dbraw/zinc/28/38/22/347283822.db2.gz QQECAZHKOLFYEN-CVEARBPZSA-N 1 0 254.333 2.701 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3cccnc32)[C@H](C)C1 ZINC000084714942 347470172 /nfs/dbraw/zinc/47/01/72/347470172.db2.gz ZQLOZYFKAZASNI-CXAGYDPISA-N 1 0 297.402 2.581 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2C)[C@H](C)C1 ZINC000089686451 347526919 /nfs/dbraw/zinc/52/69/19/347526919.db2.gz ADAPTOTVYCVSLU-DYVFJYSZSA-N 1 0 274.408 2.650 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](CC)[C@@H]1C ZINC000095882809 347699175 /nfs/dbraw/zinc/69/91/75/347699175.db2.gz KGSIZJJFTPHZGH-CZUORRHYSA-N 1 0 261.365 2.949 50 0 CFAARO C[C@@H](O)C[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000096026374 347700306 /nfs/dbraw/zinc/70/03/06/347700306.db2.gz UPOYNHPPAYSBAR-OAHLLOKOSA-N 1 0 285.387 2.763 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](c1cnn(C)c1)N(C)C ZINC000097098910 347706951 /nfs/dbraw/zinc/70/69/51/347706951.db2.gz XQXOHRNEXWTKJB-XIRDDKMYSA-N 1 0 290.455 2.605 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(CO)c2)C1(C)C ZINC000097231006 347707755 /nfs/dbraw/zinc/70/77/55/347707755.db2.gz AHNPMQOLVBUVLY-LSDHHAIUSA-N 1 0 281.371 2.611 50 0 CFAARO C[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000097373004 347708322 /nfs/dbraw/zinc/70/83/22/347708322.db2.gz FRRPKHYAGQYJEL-GXTWGEPZSA-N 1 0 262.401 2.810 50 0 CFAARO COc1cc(CC[NH2+][C@H]2CCCSC2)ccc1F ZINC000097370861 347708592 /nfs/dbraw/zinc/70/85/92/347708592.db2.gz UQANMCBYSRXPRF-LBPRGKRZSA-N 1 0 269.385 2.862 50 0 CFAARO COc1ccc([C@H](CCO)[NH2+][C@H]2CCCSC2)cc1 ZINC000097370897 347708695 /nfs/dbraw/zinc/70/86/95/347708695.db2.gz USTRMAIWOULYKI-ZFWWWQNUSA-N 1 0 281.421 2.604 50 0 CFAARO Cc1ncsc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000093388113 347672257 /nfs/dbraw/zinc/67/22/57/347672257.db2.gz ZREHGXJZBPQZBH-HNNXBMFYSA-N 1 0 288.416 2.933 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2SC)cc1 ZINC000110642591 347749063 /nfs/dbraw/zinc/74/90/63/347749063.db2.gz IZCUKMUINVPBRC-HUUCEWRRSA-N 1 0 292.448 2.762 50 0 CFAARO CC(=O)NC1CCC([NH2+]C[C@@H](C)c2ccsc2)CC1 ZINC000133115029 347890268 /nfs/dbraw/zinc/89/02/68/347890268.db2.gz FBXLRCPZPYCDPS-VCANKDNSSA-N 1 0 280.437 2.889 50 0 CFAARO Cc1c(C)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O ZINC000136481086 347910922 /nfs/dbraw/zinc/91/09/22/347910922.db2.gz DWPFKSXUHLCZKX-UHFFFAOYSA-N 1 0 265.720 2.886 50 0 CFAARO COC1(C[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CCOCC1 ZINC000152649835 347969170 /nfs/dbraw/zinc/96/91/70/347969170.db2.gz GVFAYDHCGGXFQA-LSDHHAIUSA-N 1 0 267.413 2.764 50 0 CFAARO C[C@](C[NH3+])(NC(=O)c1cc2cc(Cl)ccc2o1)C1CC1 ZINC000154919514 347983757 /nfs/dbraw/zinc/98/37/57/347983757.db2.gz RKMVVDCEFRFCGU-OAHLLOKOSA-N 1 0 292.766 2.943 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000170604353 348055725 /nfs/dbraw/zinc/05/57/25/348055725.db2.gz IXDURIQYAZEGOS-GBRKPNRJSA-N 1 0 269.454 2.822 50 0 CFAARO CCCCO[C@@H](C)C(=O)N(CC)CCC[NH+](CC)CC ZINC000170607636 348056352 /nfs/dbraw/zinc/05/63/52/348056352.db2.gz RNGGPVWSZSCZOG-HNNXBMFYSA-N 1 0 286.460 2.772 50 0 CFAARO CC1(CC[NH2+][C@H](c2ccccc2)c2ccccn2)OCCO1 ZINC000183907435 348126759 /nfs/dbraw/zinc/12/67/59/348126759.db2.gz ABOYJZSYLLLCBJ-QGZVFWFLSA-N 1 0 298.386 2.914 50 0 CFAARO COC1(C[NH2+][C@@H]2CCCNc3ccccc32)CCOCC1 ZINC000193037320 348141702 /nfs/dbraw/zinc/14/17/02/348141702.db2.gz QZHOUGNUYWGASJ-MRXNPFEDSA-N 1 0 290.407 2.719 50 0 CFAARO C[C@H](CCCO)[NH2+][C@H]1CCCN(C2CCCCC2)C1 ZINC000195553557 348146214 /nfs/dbraw/zinc/14/62/14/348146214.db2.gz KJHPXEWVWLUHRC-CABCVRRESA-N 1 0 268.445 2.534 50 0 CFAARO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000195570209 348146859 /nfs/dbraw/zinc/14/68/59/348146859.db2.gz JJNAFXLXBQRMFO-BDAKNGLRSA-N 1 0 294.342 2.803 50 0 CFAARO C[N@H+](CCO[C@@H]1CCCCO1)[C@H]1CCCc2cccnc21 ZINC000225532937 348178813 /nfs/dbraw/zinc/17/88/13/348178813.db2.gz FOBPHXPSBSXFRX-JKSUJKDBSA-N 1 0 290.407 2.934 50 0 CFAARO CC(C)c1nccn1CCS(=O)(=O)Cc1ccccc1 ZINC000390834502 348543644 /nfs/dbraw/zinc/54/36/44/348543644.db2.gz ZVVVLWZDEIGWKI-UHFFFAOYSA-N 1 0 292.404 2.622 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000397048233 348560375 /nfs/dbraw/zinc/56/03/75/348560375.db2.gz ZZMWMRJZFDUUPW-CYBMUJFWSA-N 1 0 250.386 2.992 50 0 CFAARO O=C(C[NH+]1CCCCCCC1)NCCCC[C@H]1CCCO1 ZINC000584884158 348726526 /nfs/dbraw/zinc/72/65/26/348726526.db2.gz FSJRSXFEGUUHEW-INIZCTEOSA-N 1 0 296.455 2.718 50 0 CFAARO OC1(CC[NH2+]C2CCN(Cc3ccco3)CC2)CCCC1 ZINC000584887083 348727400 /nfs/dbraw/zinc/72/74/00/348727400.db2.gz KNNRRFIXBRJYHX-UHFFFAOYSA-N 1 0 292.423 2.529 50 0 CFAARO COc1ccc(-c2cc(C[NH2+]C3CCOCC3)on2)cc1 ZINC000584888119 348728335 /nfs/dbraw/zinc/72/83/35/348728335.db2.gz ICEXHJNRVBCCTR-UHFFFAOYSA-N 1 0 288.347 2.619 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1Cl ZINC000584890827 348729077 /nfs/dbraw/zinc/72/90/77/348729077.db2.gz HDMFBGQPLZGOKX-SECBINFHSA-N 1 0 272.801 2.616 50 0 CFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1Cc2ccccc2C1 ZINC000584892494 348729336 /nfs/dbraw/zinc/72/93/36/348729336.db2.gz HINUXVZKGJCJFS-QLPKVWCKSA-N 1 0 257.377 2.796 50 0 CFAARO Cc1n[nH]c(C)c1[C@@H](C)[NH2+]C1CSCCSC1 ZINC000584900270 348732159 /nfs/dbraw/zinc/73/21/59/348732159.db2.gz OFRAQEABVZONGA-MRVPVSSYSA-N 1 0 271.455 2.526 50 0 CFAARO CCSCc1ccc(C(=O)NC23CC[NH+](CC2)C3)cc1 ZINC000585134194 348734366 /nfs/dbraw/zinc/73/43/66/348734366.db2.gz HHTGKTZBOBVFBT-UHFFFAOYSA-N 1 0 290.432 2.518 50 0 CFAARO C[C@H](CC1CCOCC1)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000089615157 179830127 /nfs/dbraw/zinc/83/01/27/179830127.db2.gz LQQICLSMIWSVQU-ZIAGYGMSSA-N 1 0 290.407 2.808 50 0 CFAARO COC1(C[NH2+][C@H](C)Cc2ccc(F)cc2)CCOCC1 ZINC000090651433 180018041 /nfs/dbraw/zinc/01/80/41/180018041.db2.gz QWWOWZYQSAUILZ-CYBMUJFWSA-N 1 0 281.371 2.542 50 0 CFAARO COC1(C[NH2+][C@@H](C)c2cccs2)CCOCC1 ZINC000090652636 180018714 /nfs/dbraw/zinc/01/87/14/180018714.db2.gz PKLYYEKWXLWUEO-NSHDSACASA-N 1 0 255.383 2.594 50 0 CFAARO Cc1noc(C[NH2+][C@H](C)Cc2ccc(Cl)cc2)n1 ZINC000091333007 180136466 /nfs/dbraw/zinc/13/64/66/180136466.db2.gz DHTPYILBRUXBDU-SECBINFHSA-N 1 0 265.744 2.752 50 0 CFAARO Cc1nc(N(C)Cc2cnc3ccccc3c2)cc(N)[nH+]1 ZINC000091459879 180161889 /nfs/dbraw/zinc/16/18/89/180161889.db2.gz KWDOAKLSFOBDRO-UHFFFAOYSA-N 1 0 279.347 2.552 50 0 CFAARO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091540373 180183941 /nfs/dbraw/zinc/18/39/41/180183941.db2.gz ZSQZGBYITNVUTG-DZKIICNBSA-N 1 0 272.392 2.786 50 0 CFAARO Cc1cccnc1C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091631199 180209995 /nfs/dbraw/zinc/20/99/95/180209995.db2.gz IUJKOQGSXTWORL-AWEZNQCLSA-N 1 0 297.406 2.696 50 0 CFAARO CCc1nnc(CN2CCc3ccccc3C2(C)C)o1 ZINC000408513779 539776109 /nfs/dbraw/zinc/77/61/09/539776109.db2.gz CIPFEUVXRLINGB-UHFFFAOYSA-N 1 0 271.364 2.925 50 0 CFAARO CC[C@]1(CO)CCC[N@H+](CCOc2ccccc2)C1 ZINC000091780659 180252337 /nfs/dbraw/zinc/25/23/37/180252337.db2.gz IZLXUCZUYVIOOE-INIZCTEOSA-N 1 0 263.381 2.550 50 0 CFAARO Cc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)s1 ZINC000091747066 180245519 /nfs/dbraw/zinc/24/55/19/180245519.db2.gz ZSSOFBQJUIDWLI-QWHCGFSZSA-N 1 0 250.411 2.583 50 0 CFAARO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000091846087 180270310 /nfs/dbraw/zinc/27/03/10/180270310.db2.gz WMHPUFNAXXBSEO-MRXNPFEDSA-N 1 0 263.381 2.680 50 0 CFAARO CC(C)[C@H]1CN(C(=O)c2ccc(F)cc2Cl)C[C@@H]1[NH3+] ZINC000091849200 180271460 /nfs/dbraw/zinc/27/14/60/180271460.db2.gz UTUUSQDKZYVPEV-YPMHNXCESA-N 1 0 284.762 2.534 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cc3ccccc3n2C)CC[C@]1(C)O ZINC000091950634 180291466 /nfs/dbraw/zinc/29/14/66/180291466.db2.gz CVAPIJMAJPZUSZ-DYVFJYSZSA-N 1 0 272.392 2.771 50 0 CFAARO CCC[C@H]1CN(C(=O)CCc2ccccc2C)C[C@@H]1[NH3+] ZINC000091871567 180278318 /nfs/dbraw/zinc/27/83/18/180278318.db2.gz CUGLXFRPSSOTOQ-HOTGVXAUSA-N 1 0 274.408 2.513 50 0 CFAARO c1nc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c[nH]1 ZINC000092003390 180304139 /nfs/dbraw/zinc/30/41/39/180304139.db2.gz WWFZCGLLWIYDDS-FUHWJXTLSA-N 1 0 296.418 2.506 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000092037699 180310320 /nfs/dbraw/zinc/31/03/20/180310320.db2.gz RICCEBAFVWWMMA-OAHLLOKOSA-N 1 0 299.418 2.823 50 0 CFAARO C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)[C@@H](C)CO1 ZINC000105955018 186095095 /nfs/dbraw/zinc/09/50/95/186095095.db2.gz ZEXGNYPGIWZEGZ-STQMWFEESA-N 1 0 267.344 2.704 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccccc2)C1 ZINC000106576817 186126923 /nfs/dbraw/zinc/12/69/23/186126923.db2.gz SEBFOJGFKLCDEP-MQNTZWLQSA-N 1 0 286.419 2.936 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106669763 186131075 /nfs/dbraw/zinc/13/10/75/186131075.db2.gz MVQPFYDZQQBHMD-SMDDNHRTSA-N 1 0 290.363 2.978 50 0 CFAARO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CO)cc1OC ZINC000092455633 180389054 /nfs/dbraw/zinc/38/90/54/180389054.db2.gz WAGWUEPUMUCDQJ-LBPRGKRZSA-N 1 0 299.798 2.704 50 0 CFAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000107493187 186176110 /nfs/dbraw/zinc/17/61/10/186176110.db2.gz PDSAWJSLCPKGPZ-NEPJUHHUSA-N 1 0 295.814 2.585 50 0 CFAARO COc1cc(C[NH2+][C@H]2CCCOC2)cc(Cl)c1OC ZINC000109545162 186261823 /nfs/dbraw/zinc/26/18/23/186261823.db2.gz OLRGOAQZZYEFQT-NSHDSACASA-N 1 0 285.771 2.626 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000110578242 186303312 /nfs/dbraw/zinc/30/33/12/186303312.db2.gz UMFCHFGVXDEKTJ-PBHICJAKSA-N 1 0 284.407 2.643 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](O)c1ccncc1 ZINC000152651897 188034824 /nfs/dbraw/zinc/03/48/24/188034824.db2.gz VTBMCCSRFGDGMH-IMJJTQAJSA-N 1 0 260.381 2.697 50 0 CFAARO Cn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000154890522 188168152 /nfs/dbraw/zinc/16/81/52/188168152.db2.gz QZKKBEAEFOSNCY-CQSZACIVSA-N 1 0 293.411 2.514 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2c(F)cccc2F)C1 ZINC000156266295 188252457 /nfs/dbraw/zinc/25/24/57/188252457.db2.gz FRQKZLZFAIIUGA-ADYIUWEDSA-N 1 0 294.345 2.564 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157743429 188336156 /nfs/dbraw/zinc/33/61/56/188336156.db2.gz UOWXMYFOEYYYGP-GFCCVEGCSA-N 1 0 296.798 2.691 50 0 CFAARO Cc1cccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000158422231 188375451 /nfs/dbraw/zinc/37/54/51/188375451.db2.gz HEMIFKUSPCQJAI-QGZVFWFLSA-N 1 0 297.402 2.569 50 0 CFAARO CC[N@@H+]1CC[C@@H](Nc2ccc3n[nH]cc3c2)[C@@H](C)C1 ZINC000685939762 540020823 /nfs/dbraw/zinc/02/08/23/540020823.db2.gz PDVOUWPOYAPCIJ-SMDDNHRTSA-N 1 0 258.369 2.705 50 0 CFAARO CCn1nc(-c2ccccc2)nc1CC1CC[NH2+]CC1 ZINC000823599492 781932424 /nfs/dbraw/zinc/93/24/24/781932424.db2.gz BGYCCOQROATPJO-UHFFFAOYSA-N 1 0 270.380 2.507 50 0 CFAARO Cc1cc(N(C)C(=O)CCCC[NH3+])ccc1Br ZINC000076578233 540120835 /nfs/dbraw/zinc/12/08/35/540120835.db2.gz ITTNNDHPHFLIRD-UHFFFAOYSA-N 1 0 299.212 2.849 50 0 CFAARO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccncc1Cl ZINC000084721133 540206844 /nfs/dbraw/zinc/20/68/44/540206844.db2.gz UMFWZOSTPZXGKP-CYBMUJFWSA-N 1 0 270.760 2.556 50 0 CFAARO CC[C@@H](C[NH2+]Cc1nccn1C)Oc1cccc(F)c1 ZINC000084674770 540205166 /nfs/dbraw/zinc/20/51/66/540205166.db2.gz FCKMULUGSMFQPF-ZDUSSCGKSA-N 1 0 277.343 2.506 50 0 CFAARO c1ccc(C[N@H+]2CC[C@H](CN3CCSCC3)C2)cc1 ZINC000252494888 540234263 /nfs/dbraw/zinc/23/42/63/540234263.db2.gz OHLMIHIBZZTAPU-MRXNPFEDSA-N 1 0 276.449 2.557 50 0 CFAARO Cc1ncc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)s1 ZINC000090399556 540361599 /nfs/dbraw/zinc/36/15/99/540361599.db2.gz FMCZLNOFUIMBHH-CMPLNLGQSA-N 1 0 290.388 2.942 50 0 CFAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)C1CCC1 ZINC000090856017 540381798 /nfs/dbraw/zinc/38/17/98/540381798.db2.gz ZYPUVNDMQHPHAO-ZIAGYGMSSA-N 1 0 266.429 2.946 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(-n2cnnn2)cc1 ZINC000090856176 540381844 /nfs/dbraw/zinc/38/18/44/540381844.db2.gz PURRTLLMGSNDGW-NWDGAFQWSA-N 1 0 271.368 2.502 50 0 CFAARO Cc1ccsc1[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000090882953 540382152 /nfs/dbraw/zinc/38/21/52/540382152.db2.gz AEFVFBAIURCFIT-LLVKDONJSA-N 1 0 287.450 2.532 50 0 CFAARO O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000095939826 295995038 /nfs/dbraw/zinc/99/50/38/295995038.db2.gz UAESFQWKKPKMDN-OWCLPIDISA-N 1 0 276.424 2.509 50 0 CFAARO O=C([C@@H](c1ccccc1)[NH+]1CCCC1)N1CCCCC1 ZINC000057992587 295996327 /nfs/dbraw/zinc/99/63/27/295996327.db2.gz SZPJBMKJHXNHJV-MRXNPFEDSA-N 1 0 272.392 2.836 50 0 CFAARO C[C@@H]([N@H+](C)Cc1nc(-c2ccoc2)no1)C1(C)CC1 ZINC000177254118 189039330 /nfs/dbraw/zinc/03/93/30/189039330.db2.gz MDZKBBXYYJOHCG-SNVBAGLBSA-N 1 0 261.325 2.950 50 0 CFAARO COC(=O)N1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000095420815 540724125 /nfs/dbraw/zinc/72/41/25/540724125.db2.gz JLZKKHAUMRETRC-BLLLJJGKSA-N 1 0 288.391 2.740 50 0 CFAARO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000095421386 540724227 /nfs/dbraw/zinc/72/42/27/540724227.db2.gz NRHQSLGVTGVHPH-NEPJUHHUSA-N 1 0 296.823 2.745 50 0 CFAARO Cc1cccc(N(C)C(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000095956299 540725984 /nfs/dbraw/zinc/72/59/84/540725984.db2.gz BKFZHNHOLVDWTC-HNNXBMFYSA-N 1 0 254.333 2.658 50 0 CFAARO C[C@@H]1OCC[C@H]1[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000095991481 540726321 /nfs/dbraw/zinc/72/63/21/540726321.db2.gz HTWLCHYMKNHREK-TVQRCGJNSA-N 1 0 255.308 2.967 50 0 CFAARO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](n3cnc4ccccc43)C2)CN1C ZINC000096009217 540726673 /nfs/dbraw/zinc/72/66/73/540726673.db2.gz NULNFUOUPJZLHE-PMPSAXMXSA-N 1 0 298.434 2.766 50 0 CFAARO C1CCC(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000089818385 540719823 /nfs/dbraw/zinc/71/98/23/540719823.db2.gz XAORVQBBUPJEJG-OAHLLOKOSA-N 1 0 266.429 2.552 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000071143475 283570504 /nfs/dbraw/zinc/57/05/04/283570504.db2.gz AIPTWBKWJLHIEQ-VIFPVBQESA-N 1 0 287.190 2.675 50 0 CFAARO COc1cccc(C2CC[NH+](Cc3cnc[nH]3)CC2)c1 ZINC000179800710 189221570 /nfs/dbraw/zinc/22/15/70/189221570.db2.gz TWYVNOAJKJVIEL-UHFFFAOYSA-N 1 0 271.364 2.798 50 0 CFAARO C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000299739056 200849969 /nfs/dbraw/zinc/84/99/69/200849969.db2.gz JYVUXQUETHOYJZ-OUCADQQQSA-N 1 0 280.437 2.513 50 0 CFAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC[C@H]1c1ccccc1 ZINC000299739010 200850793 /nfs/dbraw/zinc/85/07/93/200850793.db2.gz JKWXJHCLZAASLV-MWQQHZPXSA-N 1 0 286.419 2.766 50 0 CFAARO COC(=O)CC[N@H+](C)[C@H]1CCCC[C@H]1Oc1ccccc1 ZINC000261361541 540973734 /nfs/dbraw/zinc/97/37/34/540973734.db2.gz NSPIHLJDVJDQKM-JKSUJKDBSA-N 1 0 291.391 2.872 50 0 CFAARO CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000299772837 200867508 /nfs/dbraw/zinc/86/75/08/200867508.db2.gz BDOZCXPFERVCLT-CQSZACIVSA-N 1 0 267.328 2.818 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CN(C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430018 540991427 /nfs/dbraw/zinc/99/14/27/540991427.db2.gz PBECJHBAGMLWNR-CQSZACIVSA-N 1 0 286.423 2.725 50 0 CFAARO c1cc(C2CC[NH+]([C@@H]3CCN(c4ccccc4)C3)CC2)n[nH]1 ZINC000670440494 540995837 /nfs/dbraw/zinc/99/58/37/540995837.db2.gz MSPPISQWLBJBCW-QGZVFWFLSA-N 1 0 296.418 2.868 50 0 CFAARO CC[N@@H+]1CCC[C@H](c2ncnn2C2Cc3ccccc3C2)C1 ZINC000670441747 540996419 /nfs/dbraw/zinc/99/64/19/540996419.db2.gz NOYUPGPTBOLNPO-INIZCTEOSA-N 1 0 296.418 2.817 50 0 CFAARO Cc1c[nH+]ccc1N1CCN([C@H](C)CC(F)(F)F)CC1 ZINC000670444621 540996746 /nfs/dbraw/zinc/99/67/46/540996746.db2.gz YIFGLADUVQFTKJ-GFCCVEGCSA-N 1 0 287.329 2.853 50 0 CFAARO COc1cc(Cl)c(CN2CCC[C@H](O)CC2)c(OC)c1 ZINC000670445971 540997236 /nfs/dbraw/zinc/99/72/36/540997236.db2.gz QVNDJRFUODKEHN-NSHDSACASA-N 1 0 299.798 2.704 50 0 CFAARO OC1(c2ccccn2)CC[NH+](Cc2ccsc2)CC1 ZINC000670454806 541000876 /nfs/dbraw/zinc/00/08/76/541000876.db2.gz PNWLYVBOAUUXCT-UHFFFAOYSA-N 1 0 274.389 2.627 50 0 CFAARO C[C@H](CCn1cccn1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000670456844 541001524 /nfs/dbraw/zinc/00/15/24/541001524.db2.gz ZRCBIHRFAMXUOR-QGZVFWFLSA-N 1 0 298.434 2.874 50 0 CFAARO CC(C)(O)C1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC000670460448 541002768 /nfs/dbraw/zinc/00/27/68/541002768.db2.gz ULXPFPUHQLGKLF-UHFFFAOYSA-N 1 0 273.380 2.546 50 0 CFAARO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1nc(C)c(C)s1 ZINC000670460693 541002786 /nfs/dbraw/zinc/00/27/86/541002786.db2.gz RGMYYTNPSMNMQV-AWEZNQCLSA-N 1 0 295.452 2.812 50 0 CFAARO CCC[N@@H+]1CCC[C@@H](Nc2nnc(C(C)C)s2)C1 ZINC000670426624 540989727 /nfs/dbraw/zinc/98/97/27/540989727.db2.gz YSEIKHYOYVRGSB-LLVKDONJSA-N 1 0 268.430 2.948 50 0 CFAARO Cc1nc(C[C@@H]2CCCC[N@H+]2C)n(Cc2ccccc2)n1 ZINC000670472810 541011337 /nfs/dbraw/zinc/01/13/37/541011337.db2.gz GYCQQKBYCCOLPP-INIZCTEOSA-N 1 0 284.407 2.662 50 0 CFAARO Cc1nc(C[C@H]2CCCC[N@H+]2C)n(Cc2ccccc2)n1 ZINC000670472811 541011350 /nfs/dbraw/zinc/01/13/50/541011350.db2.gz GYCQQKBYCCOLPP-MRXNPFEDSA-N 1 0 284.407 2.662 50 0 CFAARO C[N@@H+]1CCN(Cc2ccc(C(F)(F)F)nc2)CC1(C)C ZINC000670474308 541011539 /nfs/dbraw/zinc/01/15/39/541011539.db2.gz FPWFXVAAKFAYNO-UHFFFAOYSA-N 1 0 287.329 2.626 50 0 CFAARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2F)C1 ZINC000180945036 189284392 /nfs/dbraw/zinc/28/43/92/189284392.db2.gz RPMZPIDOCBQBPX-DOMZBBRYSA-N 1 0 293.386 2.670 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000823778685 781938523 /nfs/dbraw/zinc/93/85/23/781938523.db2.gz YIVLMYXWFGHEOY-AWEZNQCLSA-N 1 0 264.413 2.654 50 0 CFAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(c1nc3ccccc3o1)C2 ZINC000823806663 781938870 /nfs/dbraw/zinc/93/88/70/781938870.db2.gz AXNCQSQJLHLRKV-STQMWFEESA-N 1 0 271.364 2.748 50 0 CFAARO Cc1cccn2cc(C[NH2+][C@@H]3CCCSC3)nc12 ZINC000183609521 189364297 /nfs/dbraw/zinc/36/42/97/189364297.db2.gz RIJHMYMEKDHFAT-GFCCVEGCSA-N 1 0 261.394 2.628 50 0 CFAARO COc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000219894203 189721408 /nfs/dbraw/zinc/72/14/08/189721408.db2.gz KASHGKNKZUZXAF-LBPRGKRZSA-N 1 0 296.798 2.611 50 0 CFAARO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227795773 189788310 /nfs/dbraw/zinc/78/83/10/189788310.db2.gz ZSQZGBYITNVUTG-FMKPAKJESA-N 1 0 272.392 2.786 50 0 CFAARO Cc1cc(NC(=O)C[NH2+]C(C)(C)C)c2ccccc2n1 ZINC000000104297 371531278 /nfs/dbraw/zinc/53/12/78/371531278.db2.gz IEGGCFJTYBKOAV-UHFFFAOYSA-N 1 0 271.364 2.870 50 0 CFAARO O=C(CC[NH+]1CCCCC1)Nc1ccccc1F ZINC000000176636 371549880 /nfs/dbraw/zinc/54/98/80/371549880.db2.gz CHFTUNJZPSFSEK-UHFFFAOYSA-N 1 0 250.317 2.640 50 0 CFAARO [NH3+][C@@H](c1ccccc1)P(=O)([O-])[C@@H]([NH3+])c1ccccc1 ZINC000000186743 371552657 /nfs/dbraw/zinc/55/26/57/371552657.db2.gz GDRKYOFXBSKACL-ZIAGYGMSSA-N 1 0 276.276 2.572 50 0 CFAARO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000000445451 371616237 /nfs/dbraw/zinc/61/62/37/371616237.db2.gz YLENMCCPLWMSNC-CQSZACIVSA-N 1 0 277.408 2.820 50 0 CFAARO OC[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000000209118 371559639 /nfs/dbraw/zinc/55/96/39/371559639.db2.gz LNUXVQUYWFPQMH-LLVKDONJSA-N 1 0 284.197 2.653 50 0 CFAARO CCCN(CCC)C(=O)Cn1ccc(=[NH2+])c2ccccc21 ZINC000000226172 371562287 /nfs/dbraw/zinc/56/22/87/371562287.db2.gz 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JIIGUTTXPVYNLF-AWEZNQCLSA-N 1 0 254.418 2.922 50 0 CFAARO Cc1ccc2[nH]c3c(ncnc3NCCC[NH+](C)C)c2c1 ZINC000002210563 371720214 /nfs/dbraw/zinc/72/02/14/371720214.db2.gz HRAGTPAGTUFWDP-UHFFFAOYSA-N 1 0 283.379 2.783 50 0 CFAARO COCCC[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000002522937 371731900 /nfs/dbraw/zinc/73/19/00/371731900.db2.gz JVNAQQVGWZENIE-INIZCTEOSA-N 1 0 256.349 2.797 50 0 CFAARO OCC[NH2+]CCSc1cc(Cl)ccc1Cl ZINC000002639079 371743284 /nfs/dbraw/zinc/74/32/84/371743284.db2.gz VSYBSVJSRGIWJW-UHFFFAOYSA-N 1 0 266.193 2.667 50 0 CFAARO C[NH+](C)CCCNC(=O)c1cc(Cl)ccc1Cl ZINC000002745978 371749144 /nfs/dbraw/zinc/74/91/44/371749144.db2.gz SCUSUDSAWROBTO-UHFFFAOYSA-N 1 0 275.179 2.675 50 0 CFAARO COC(=O)c1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000002823605 371756851 /nfs/dbraw/zinc/75/68/51/371756851.db2.gz KESHTUNMCPTTJY-CQSZACIVSA-N 1 0 291.391 2.974 50 0 CFAARO O=C1C[C@@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1ccccc1 ZINC000002906102 371764203 /nfs/dbraw/zinc/76/42/03/371764203.db2.gz BLKGDUZXYWIPNK-MRXNPFEDSA-N 1 0 298.386 2.799 50 0 CFAARO Cc1cccc(OCCOCC[NH2+]C(C)C)c1C ZINC000002981115 371766451 /nfs/dbraw/zinc/76/64/51/371766451.db2.gz FVTKXJLFQGFEBO-UHFFFAOYSA-N 1 0 251.370 2.697 50 0 CFAARO CC(=O)c1ccc(NC(=O)OCC[NH+]2CCCC2)cc1 ZINC000003130423 371774784 /nfs/dbraw/zinc/77/47/84/371774784.db2.gz WIOKOWCPOJGHMM-UHFFFAOYSA-N 1 0 276.336 2.534 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2C2(CCCCCC2)N1 ZINC000003165796 371777070 /nfs/dbraw/zinc/77/70/70/371777070.db2.gz UTWXPHLUMHMQCU-UHFFFAOYSA-N 1 0 269.352 2.593 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1OC ZINC000003237450 371783210 /nfs/dbraw/zinc/78/32/10/371783210.db2.gz BLQWAJWTBXEGIZ-ZDUSSCGKSA-N 1 0 276.380 2.898 50 0 CFAARO COC[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003440324 371801016 /nfs/dbraw/zinc/80/10/16/371801016.db2.gz MYJQWHCBMZTOOS-QWHCGFSZSA-N 1 0 292.423 2.936 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2ccsc2)CC1 ZINC000003684166 371816055 /nfs/dbraw/zinc/81/60/55/371816055.db2.gz ZWQXKMPLNWPBAF-UHFFFAOYSA-N 1 0 253.367 2.523 50 0 CFAARO COc1cc2c(cc1O)C[NH2+]C[C@H]2c1ccc(O)c(C)c1 ZINC000003847186 371820979 /nfs/dbraw/zinc/82/09/79/371820979.db2.gz AFQPEUMKUBBBRS-AWEZNQCLSA-N 1 0 285.343 2.650 50 0 CFAARO O=C(C[NH+]1CCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000004011494 371827583 /nfs/dbraw/zinc/82/75/83/371827583.db2.gz MBHYKLRLZSHMMQ-UHFFFAOYSA-N 1 0 276.424 2.557 50 0 CFAARO COc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004019250 371829047 /nfs/dbraw/zinc/82/90/47/371829047.db2.gz DAGGEUHIWOTDNG-UMVBOHGHSA-N 1 0 292.423 2.522 50 0 CFAARO C[NH+](C)CCNc1nc(-c2cccnc2)nc2ccccc21 ZINC000004340030 371851217 /nfs/dbraw/zinc/85/12/17/371851217.db2.gz YYDIYFVNOYJQFH-UHFFFAOYSA-N 1 0 293.374 2.665 50 0 CFAARO CCOc1ccc(C[NH2+]Cc2cccnc2)cc1OC ZINC000004413457 371855191 /nfs/dbraw/zinc/85/51/91/371855191.db2.gz CSKWXUGFUYSUQD-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO O=C(NCC[NH2+]Cc1c[nH]c2ccccc12)c1cccs1 ZINC000004498151 371859418 /nfs/dbraw/zinc/85/94/18/371859418.db2.gz VCXDIHKVTORSOD-UHFFFAOYSA-N 1 0 299.399 2.749 50 0 CFAARO CSc1ccc(/C=C2/[C@H](O)C3CC[NH+]2CC3)cc1 ZINC000004502654 371860503 /nfs/dbraw/zinc/86/05/03/371860503.db2.gz IKWSMIGWZGHVKY-BAAYTWLHSA-N 1 0 261.390 2.836 50 0 CFAARO C[NH+]1CCC(OC(=O)c2ccccc2Cl)CC1 ZINC000004560811 371863809 /nfs/dbraw/zinc/86/38/09/371863809.db2.gz ASAQSVYQBBYRDA-UHFFFAOYSA-N 1 0 253.729 2.591 50 0 CFAARO C[NH2+]C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 ZINC000004565439 371864222 /nfs/dbraw/zinc/86/42/22/371864222.db2.gz ZRPAYXOSMPLXRN-UHFFFAOYSA-N 1 0 291.786 2.695 50 0 CFAARO CCCCNC(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004690990 371873497 /nfs/dbraw/zinc/87/34/97/371873497.db2.gz CFIOBCPHUQBVSC-HNNXBMFYSA-N 1 0 278.440 2.971 50 0 CFAARO C[C@@H]([NH3+])Cc1ccccc1[S@@](=O)c1ccccc1 ZINC000004146784 371836036 /nfs/dbraw/zinc/83/60/36/371836036.db2.gz UKJQLHNCSHSGGK-KZULUSFZSA-N 1 0 259.374 2.743 50 0 CFAARO c1ccc2c(c1)[nH+]c1c(c2N2CCOCC2)CCC1 ZINC000006896863 371892248 /nfs/dbraw/zinc/89/22/48/371892248.db2.gz AUFKTXNEJAAMFI-UHFFFAOYSA-N 1 0 254.333 2.560 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000010384232 371908310 /nfs/dbraw/zinc/90/83/10/371908310.db2.gz JRDUHCQHWWEBQK-XHSDSOJGSA-N 1 0 277.408 2.998 50 0 CFAARO COc1ccccc1/C=C/C[NH2+]Cc1cccnc1N(C)C ZINC000012027548 371943438 /nfs/dbraw/zinc/94/34/38/371943438.db2.gz NIWXWZDYLKJSDZ-RMKNXTFCSA-N 1 0 297.402 2.959 50 0 CFAARO c1ccc(Oc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000011632570 371922636 /nfs/dbraw/zinc/92/26/36/371922636.db2.gz CEDIEUVYUSGIDQ-UHFFFAOYSA-N 1 0 254.333 2.889 50 0 in-vivo CFAARO COc1cc(OC)c(OC)cc1C[NH2+]CCC(C)C ZINC000012382215 371957162 /nfs/dbraw/zinc/95/71/62/371957162.db2.gz XNPWKIMKWCBTIV-UHFFFAOYSA-N 1 0 267.369 2.848 50 0 CFAARO CCn1cc([C@@H]2[NH2+]CCc3c4cc(OC)ccc4[nH]c32)cn1 ZINC000012394314 371958946 /nfs/dbraw/zinc/95/89/46/371958946.db2.gz XTDXYLSDNXQCSZ-INIZCTEOSA-N 1 0 296.374 2.628 50 0 CFAARO COCCC[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000012540005 371971987 /nfs/dbraw/zinc/97/19/87/371971987.db2.gz ZKHAISPUMRFIKP-UHFFFAOYSA-N 1 0 259.353 2.511 50 0 CFAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000012584833 371975871 /nfs/dbraw/zinc/97/58/71/371975871.db2.gz YJUWPTONQIYXFR-GFCCVEGCSA-N 1 0 298.390 2.677 50 0 CFAARO CC(C)(C)C[NH2+][C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000012595835 371978441 /nfs/dbraw/zinc/97/84/41/371978441.db2.gz SBPBOSHTHVPFSR-CQSZACIVSA-N 1 0 278.371 2.562 50 0 CFAARO C[NH+](C)CCNc1nc(-c2ccncc2)nc2ccccc21 ZINC000012805003 371989004 /nfs/dbraw/zinc/98/90/04/371989004.db2.gz AISAUXNBTFDPNE-UHFFFAOYSA-N 1 0 293.374 2.665 50 0 CFAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000012226236 371950715 /nfs/dbraw/zinc/95/07/15/371950715.db2.gz TUFSJEQFHLWOCQ-KRWDZBQOSA-N 1 0 298.386 2.717 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C1CCCC1)c1ccsc1 ZINC000012348707 371953493 /nfs/dbraw/zinc/95/34/93/371953493.db2.gz COHWNGIEQXYEDJ-CYBMUJFWSA-N 1 0 266.410 2.657 50 0 CFAARO CC(C)COc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000012382377 371957113 /nfs/dbraw/zinc/95/71/13/371957113.db2.gz NGSUYBHTRJGCDG-UHFFFAOYSA-N 1 0 290.407 2.545 50 0 CFAARO C1=NN2C(=[NH+]C3=C(CCCC3)[C@@H]2c2ccccc2)N1 ZINC000013124399 372016433 /nfs/dbraw/zinc/01/64/33/372016433.db2.gz XHKLBOSRVAECEX-AWEZNQCLSA-N 1 0 252.321 2.774 50 0 CFAARO c1cnc2c(c1)cccc2CSC1=[NH+]CCCN1 ZINC000014135875 372059813 /nfs/dbraw/zinc/05/98/13/372059813.db2.gz RQYLIXPXFQNSDA-UHFFFAOYSA-N 1 0 257.362 2.817 50 0 CFAARO CCC(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000013718135 372043503 /nfs/dbraw/zinc/04/35/03/372043503.db2.gz XFUFOBSDWUOGMA-UHFFFAOYSA-N 1 0 267.369 2.991 50 0 CFAARO Cc1ccc(CCC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000237411316 189875243 /nfs/dbraw/zinc/87/52/43/189875243.db2.gz IDDCXNKSVXITBB-RDJZCZTQSA-N 1 0 288.435 2.822 50 0 CFAARO NC(=O)[C@H]([NH2+]C1CCCCCCC1)c1ccccc1 ZINC000014048314 372058929 /nfs/dbraw/zinc/05/89/29/372058929.db2.gz ASQYEMFSAAUYOG-OAHLLOKOSA-N 1 0 260.381 2.916 50 0 CFAARO Cc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000016578867 372110154 /nfs/dbraw/zinc/11/01/54/372110154.db2.gz AXOOJLOJCMLUJF-NVXWUHKLSA-N 1 0 277.408 2.604 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000016579956 372111954 /nfs/dbraw/zinc/11/19/54/372111954.db2.gz BDDTWSCMTUMNRM-UHFFFAOYSA-N 1 0 274.408 2.908 50 0 CFAARO CCCc1cc(C(=O)NCC[NH+]2CCCCC2)cs1 ZINC000016603268 372111993 /nfs/dbraw/zinc/11/19/93/372111993.db2.gz QTAIWZXJFLSWOR-UHFFFAOYSA-N 1 0 280.437 2.916 50 0 CFAARO CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000016607354 372112656 /nfs/dbraw/zinc/11/26/56/372112656.db2.gz KHPZMGYNESDAOU-UHFFFAOYSA-N 1 0 278.371 2.564 50 0 CFAARO CCc1cc(C(=O)NCC[NH+]2CCCCC2)cs1 ZINC000016604940 372112718 /nfs/dbraw/zinc/11/27/18/372112718.db2.gz OTIJBEGBEYFTTK-UHFFFAOYSA-N 1 0 266.410 2.526 50 0 CFAARO Nc1cc(Br)ccc1OCC[NH+]1CCCCC1 ZINC000014630942 372070236 /nfs/dbraw/zinc/07/02/36/372070236.db2.gz RMPRHRMTDJIEGB-UHFFFAOYSA-N 1 0 299.212 2.896 50 0 CFAARO CN(C)c1ncc2c(n1)CCC[C@@H]2[NH2+]C1CCCCC1 ZINC000014979210 372077118 /nfs/dbraw/zinc/07/71/18/372077118.db2.gz RBWCUVOQDWSNQS-AWEZNQCLSA-N 1 0 274.412 2.842 50 0 CFAARO CC(C)[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019156864 372149697 /nfs/dbraw/zinc/14/96/97/372149697.db2.gz YKRGXSXJCWBHBP-UHFFFAOYSA-N 1 0 297.240 2.975 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNCc1ccccc1Cl ZINC000019366938 372156857 /nfs/dbraw/zinc/15/68/57/372156857.db2.gz RWEKAEFOBTXOND-ZDUSSCGKSA-N 1 0 252.789 2.914 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000019536461 372174494 /nfs/dbraw/zinc/17/44/94/372174494.db2.gz DJEZEGQIKVSFRB-GFCCVEGCSA-N 1 0 267.394 2.832 50 0 CFAARO COc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)cc1 ZINC000019908927 372208552 /nfs/dbraw/zinc/20/85/52/372208552.db2.gz QUCILCGEZAHVGU-UHFFFAOYSA-N 1 0 273.332 2.699 50 0 CFAARO CCN(CC)CC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000019919421 372210354 /nfs/dbraw/zinc/21/03/54/372210354.db2.gz SICMIVLHEZLVAJ-ZDUSSCGKSA-N 1 0 250.386 2.688 50 0 CFAARO CC1(C)C[C@H](C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)CCO1 ZINC000019952748 372213897 /nfs/dbraw/zinc/21/38/97/372213897.db2.gz YXUVAYFFOOZIPC-QAPCUYQASA-N 1 0 289.419 2.785 50 0 CFAARO NC(=O)c1ccc(C[NH2+]Cc2ccccc2Cl)cc1 ZINC000020045653 372223335 /nfs/dbraw/zinc/22/33/35/372223335.db2.gz ISCFXSDHIAURSY-UHFFFAOYSA-N 1 0 274.751 2.729 50 0 CFAARO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OC(C)C ZINC000020092408 372228485 /nfs/dbraw/zinc/22/84/85/372228485.db2.gz GIMOSMNXAWVFMX-CQSZACIVSA-N 1 0 279.380 2.751 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)CC2CC2)c(C)c1 ZINC000019758111 372184125 /nfs/dbraw/zinc/18/41/25/372184125.db2.gz AKBFESUUCTTYRR-HOCLYGCPSA-N 1 0 277.408 2.821 50 0 CFAARO CCCC[NH+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000019788953 372188019 /nfs/dbraw/zinc/18/80/19/372188019.db2.gz ZGDJONNFEDALJH-UHFFFAOYSA-N 1 0 298.434 2.994 50 0 CFAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccco2)CC1 ZINC000019842532 372197691 /nfs/dbraw/zinc/19/76/91/372197691.db2.gz OBEKVAIXWZADAK-HOCLYGCPSA-N 1 0 262.397 2.976 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000019900093 372203673 /nfs/dbraw/zinc/20/36/73/372203673.db2.gz RBNGVYCZXDLJSJ-IUODEOHRSA-N 1 0 295.448 2.822 50 0 CFAARO COc1ccc(CC[NH2+][C@H](C)c2ccncc2)cc1OC ZINC000019902443 372203792 /nfs/dbraw/zinc/20/37/92/372203792.db2.gz HWDFOOMEKLFPLO-CYBMUJFWSA-N 1 0 286.375 2.992 50 0 CFAARO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000025054881 372289472 /nfs/dbraw/zinc/28/94/72/372289472.db2.gz MRBWGHJZGIKUDH-ZDUSSCGKSA-N 1 0 260.381 2.972 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccsc1 ZINC000025329630 372296846 /nfs/dbraw/zinc/29/68/46/372296846.db2.gz KJJWUXLXXOYVLI-JSGCOSHPSA-N 1 0 278.421 2.823 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)c[nH]1)c1ccsc1 ZINC000025331116 372296991 /nfs/dbraw/zinc/29/69/91/372296991.db2.gz CLLABJKJOMMJOQ-GFCCVEGCSA-N 1 0 297.811 2.762 50 0 CFAARO Cc1ccoc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331178 372297406 /nfs/dbraw/zinc/29/74/06/372297406.db2.gz MTGCHVPOEJRLJI-GFCCVEGCSA-N 1 0 278.377 2.682 50 0 CFAARO CCOc1c(CNC[C@@H]2CCC[N@@H+]2CC)cccc1OC ZINC000022936393 372248523 /nfs/dbraw/zinc/24/85/23/372248523.db2.gz OBTGMCDGYFCGKH-HNNXBMFYSA-N 1 0 292.423 2.668 50 0 CFAARO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)ccc1OC ZINC000022936440 372248667 /nfs/dbraw/zinc/24/86/67/372248667.db2.gz YRRXZVMYHNUNAC-HNNXBMFYSA-N 1 0 292.423 2.668 50 0 CFAARO OCC[C@@H]1CN(Cc2ccsc2)CC[N@@H+]1C1CCCC1 ZINC000022932638 372248676 /nfs/dbraw/zinc/24/86/76/372248676.db2.gz ZMNBQQQTSQEENK-MRXNPFEDSA-N 1 0 294.464 2.559 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1cccs1)c1cccs1 ZINC000023105552 372250311 /nfs/dbraw/zinc/25/03/11/372250311.db2.gz MYHMRVLPXDAFKG-JTQLQIEISA-N 1 0 280.418 2.842 50 0 CFAARO COc1cc(C)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000023114854 372250625 /nfs/dbraw/zinc/25/06/25/372250625.db2.gz DQBLKCCPEBLPCS-OKILXGFUSA-N 1 0 263.381 2.921 50 0 CFAARO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccco1 ZINC000023175020 372253788 /nfs/dbraw/zinc/25/37/88/372253788.db2.gz NFSAAWBIIKAZJG-UHFFFAOYSA-N 1 0 276.311 2.879 50 0 CFAARO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000025441596 372300781 /nfs/dbraw/zinc/30/07/81/372300781.db2.gz CXXLPWQHQOMCOF-SFHVURJKSA-N 1 0 294.398 2.993 50 0 CFAARO Cc1ccc(C)c(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)c1 ZINC000023471799 372259990 /nfs/dbraw/zinc/25/99/90/372259990.db2.gz YGQZJYWNJRYUID-WBVHZDCISA-N 1 0 258.409 2.972 50 0 CFAARO C[N@H+](CC(=O)NCc1ccco1)[C@@H]1CCc2ccccc21 ZINC000024985113 372285989 /nfs/dbraw/zinc/28/59/89/372285989.db2.gz QJMFLQCPQCWTGO-MRXNPFEDSA-N 1 0 284.359 2.515 50 0 CFAARO Cc1sc2ncnc(NC3CC[NH+](C)CC3)c2c1C ZINC000026227015 372316607 /nfs/dbraw/zinc/31/66/07/372316607.db2.gz MLOQDPGELCZFBV-UHFFFAOYSA-N 1 0 276.409 2.814 50 0 CFAARO O=C(CC[N@@H+]1CCC[C@@H]1c1cccs1)NC1CC1 ZINC000026904155 372331282 /nfs/dbraw/zinc/33/12/82/372331282.db2.gz FQHXKBJGCYUTCV-GFCCVEGCSA-N 1 0 264.394 2.554 50 0 CFAARO Cc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1 ZINC000027932327 372353372 /nfs/dbraw/zinc/35/33/72/372353372.db2.gz IKDUAVSPPWPBPZ-AWEZNQCLSA-N 1 0 273.380 2.615 50 0 CFAARO O=C(C[NH+]1CCCCCC1)Nc1cc(F)cc(F)c1 ZINC000028900915 372371440 /nfs/dbraw/zinc/37/14/40/372371440.db2.gz LDJMMCYVCLHTML-UHFFFAOYSA-N 1 0 268.307 2.779 50 0 CFAARO CC(C)(CNC(=O)C1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000029160922 372374523 /nfs/dbraw/zinc/37/45/23/372374523.db2.gz TXLKOLXXLPSGBV-UHFFFAOYSA-N 1 0 286.419 2.740 50 0 CFAARO C[C@H](C1CC1)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000029725037 372384390 /nfs/dbraw/zinc/38/43/90/372384390.db2.gz XMUSHXGIVUPPRY-LLVKDONJSA-N 1 0 283.375 2.686 50 0 CFAARO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000031543652 372412116 /nfs/dbraw/zinc/41/21/16/372412116.db2.gz HMOSOLYBBHMKNX-OAHLLOKOSA-N 1 0 274.408 2.813 50 0 CFAARO Cc1ccc2nc(-c3cccc(N)c3)c(C[NH+](C)C)n2c1 ZINC000031909434 372421780 /nfs/dbraw/zinc/42/17/80/372421780.db2.gz QXTLCFMEAGGAEU-UHFFFAOYSA-N 1 0 280.375 2.954 50 0 CFAARO CC(C)(C)C[NH+]1CCC(N2CCSCC2)CC1 ZINC000032576756 372445639 /nfs/dbraw/zinc/44/56/39/372445639.db2.gz AMKXGUVXQYVPDE-UHFFFAOYSA-N 1 0 256.459 2.546 50 0 CFAARO CCCC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1F ZINC000032582052 372446019 /nfs/dbraw/zinc/44/60/19/372446019.db2.gz XPHCFNKAXSXPKD-GXTWGEPZSA-N 1 0 253.361 2.897 50 0 CFAARO COc1ccc(OC)c(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000035111625 372540059 /nfs/dbraw/zinc/54/00/59/372540059.db2.gz SJYFRPYXUDTQEI-INIZCTEOSA-N 1 0 287.359 2.527 50 0 CFAARO O[C@@H](c1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000036075374 372553489 /nfs/dbraw/zinc/55/34/89/372553489.db2.gz BDVMVZADJRCUGK-GFCCVEGCSA-N 1 0 259.271 2.738 50 0 CFAARO CCC[N@@H+](Cc1ccco1)C[C@H](O)COCc1ccco1 ZINC000036096502 372557757 /nfs/dbraw/zinc/55/77/57/372557757.db2.gz UHROGBPJPVOWDD-AWEZNQCLSA-N 1 0 293.363 2.662 50 0 CFAARO Nc1ccccc1C[N@H+](C[C@H]1CCCCO1)C1CC1 ZINC000036231158 372567753 /nfs/dbraw/zinc/56/77/53/372567753.db2.gz ATBXIJRLNBPGIF-OAHLLOKOSA-N 1 0 260.381 2.802 50 0 CFAARO COc1ccc2sc(NCCC[NH+](C)C)nc2c1 ZINC000036657627 372585620 /nfs/dbraw/zinc/58/56/20/372585620.db2.gz HIVVHERCODAQQL-UHFFFAOYSA-N 1 0 265.382 2.669 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1cccs1 ZINC000035132852 372545884 /nfs/dbraw/zinc/54/58/84/372545884.db2.gz NJALAZMPNRCEFH-MNOVXSKESA-N 1 0 266.410 2.846 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037808148 372719544 /nfs/dbraw/zinc/71/95/44/372719544.db2.gz ZULWZSSTAOFZLW-VXGBXAGGSA-N 1 0 280.799 2.859 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000037879959 372731382 /nfs/dbraw/zinc/73/13/82/372731382.db2.gz ORCJEQNFSJQHEE-MRVPVSSYSA-N 1 0 251.280 2.847 50 0 CFAARO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000038075523 372773069 /nfs/dbraw/zinc/77/30/69/372773069.db2.gz GRZOKLRNPCBLSJ-VXGBXAGGSA-N 1 0 292.345 2.613 50 0 CFAARO Cc1cc(N2CCC[C@@H](CO)C2)c2ccccc2[nH+]1 ZINC000040429929 372782573 /nfs/dbraw/zinc/78/25/73/372782573.db2.gz XBVCDRCRKAKECL-CYBMUJFWSA-N 1 0 256.349 2.752 50 0 CFAARO CC(C)Oc1ccccc1C[NH2+]CCCN1CCCC1=O ZINC000040731303 372785275 /nfs/dbraw/zinc/78/52/75/372785275.db2.gz BUNXADWMAUVDPX-UHFFFAOYSA-N 1 0 290.407 2.576 50 0 CFAARO COCC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730385 372785398 /nfs/dbraw/zinc/78/53/98/372785398.db2.gz DXDVYEOZSSTYFT-UHFFFAOYSA-N 1 0 257.761 2.863 50 0 CFAARO CCc1nc2sc(C)cc2c(NCCC[NH+](C)C)n1 ZINC000041090648 372810875 /nfs/dbraw/zinc/81/08/75/372810875.db2.gz CELNUFNYAFWBIK-UHFFFAOYSA-N 1 0 278.425 2.926 50 0 CFAARO CC[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000041953429 372866431 /nfs/dbraw/zinc/86/64/31/372866431.db2.gz UBGVWOSWFFWGAQ-QWRGUYRKSA-N 1 0 254.399 2.513 50 0 CFAARO Cn1ccc(C[N@H+](C)[C@@H]2CCCc3ccccc32)cc1=O ZINC000042112388 372873795 /nfs/dbraw/zinc/87/37/95/372873795.db2.gz NOCPDINMNJZVCU-QGZVFWFLSA-N 1 0 282.387 2.895 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2ccc(F)c(F)c2)CCCC1 ZINC000042763411 372952804 /nfs/dbraw/zinc/95/28/04/372952804.db2.gz IHXOZLSOOOVPMO-UHFFFAOYSA-N 1 0 282.334 2.569 50 0 CFAARO CC(=O)Nc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042773007 372953716 /nfs/dbraw/zinc/95/37/16/372953716.db2.gz IPBNWRWRDCHXQV-ZDUSSCGKSA-N 1 0 262.353 2.556 50 0 CFAARO COc1cc(COCCC2CC[NH2+]CC2)cc(OC)c1 ZINC000042774033 372954316 /nfs/dbraw/zinc/95/43/16/372954316.db2.gz PAAYWCFZFFPLBP-UHFFFAOYSA-N 1 0 279.380 2.610 50 0 CFAARO CCOC(=O)c1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042771341 372954451 /nfs/dbraw/zinc/95/44/51/372954451.db2.gz OWKJQIOPRVLPEZ-CQSZACIVSA-N 1 0 277.364 2.774 50 0 CFAARO COc1cc(COCC[C@H]2CCCC[NH2+]2)cc(OC)c1 ZINC000042774048 372954784 /nfs/dbraw/zinc/95/47/84/372954784.db2.gz NUTMJMZZBWZYEX-CQSZACIVSA-N 1 0 279.380 2.753 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cccs2)C1 ZINC000047416332 373094007 /nfs/dbraw/zinc/09/40/07/373094007.db2.gz TZPFWNSZZLUTOD-BETUJISGSA-N 1 0 280.437 2.846 50 0 CFAARO c1cnn(-c2ccc(N3CCC([NH+]4CCC4)CC3)cc2)c1 ZINC000048200550 373152496 /nfs/dbraw/zinc/15/24/96/373152496.db2.gz WUMSHCMRLRVKEA-UHFFFAOYSA-N 1 0 282.391 2.547 50 0 CFAARO Cc1csc(=O)n1CC[N@H+](C)CCCc1ccccc1 ZINC000048260811 373157413 /nfs/dbraw/zinc/15/74/13/373157413.db2.gz JSFMZGUZMMXDBS-UHFFFAOYSA-N 1 0 290.432 2.783 50 0 CFAARO Cc1ccc2nc(C)c(C(=O)NC[C@@H]3CCC[N@H+]3C)cc2c1 ZINC000048324866 373163083 /nfs/dbraw/zinc/16/30/83/373163083.db2.gz ZAMIVMHCSKYDOH-HNNXBMFYSA-N 1 0 297.402 2.676 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2cc(Cl)ccc2O)CC1 ZINC000047829595 373120270 /nfs/dbraw/zinc/12/02/70/373120270.db2.gz KLPPHWNLSLHENY-UHFFFAOYSA-N 1 0 296.798 2.648 50 0 CFAARO c1cnn(CC[NH2+]Cc2csc3ccccc23)c1 ZINC000048449417 373184604 /nfs/dbraw/zinc/18/46/04/373184604.db2.gz FECPCQFLTXYTBP-UHFFFAOYSA-N 1 0 257.362 2.888 50 0 CFAARO CCCC[N@H+](CCO)Cc1coc(-c2ccccc2)n1 ZINC000049800485 373314720 /nfs/dbraw/zinc/31/47/20/373314720.db2.gz XANMTLPEDCCCOA-UHFFFAOYSA-N 1 0 274.364 2.936 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000053202162 373468914 /nfs/dbraw/zinc/46/89/14/373468914.db2.gz PAGMQJUGPZWNCG-JTQLQIEISA-N 1 0 287.190 2.817 50 0 CFAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccnc2)c1 ZINC000055357629 373548990 /nfs/dbraw/zinc/54/89/90/373548990.db2.gz DTETYWWFJNLILE-AWEZNQCLSA-N 1 0 255.365 2.848 50 0 CFAARO Cc1cc(C)c(C)c(C(=O)NCC[NH+]2CCCC2)c1C ZINC000055358516 373549631 /nfs/dbraw/zinc/54/96/31/373549631.db2.gz PYHDTJQHJHCOQZ-UHFFFAOYSA-N 1 0 274.408 2.746 50 0 CFAARO CCCCN1C(=O)C(C)=C(C)[C@H]1[NH2+]CCC(C)C ZINC000057049716 373578299 /nfs/dbraw/zinc/57/82/99/373578299.db2.gz YCIJMOKFEPHCPP-AWEZNQCLSA-N 1 0 252.402 2.927 50 0 CFAARO Cc1ccc2oc(C(=O)NCCC[NH+]3CCCC3)cc2c1 ZINC000058423886 373657283 /nfs/dbraw/zinc/65/72/83/373657283.db2.gz MHPGPMUHMDDUBZ-UHFFFAOYSA-N 1 0 286.375 2.957 50 0 CFAARO O=C(C[NH2+][C@@H]1CCCc2ccccc21)NCc1ccco1 ZINC000058160854 373629285 /nfs/dbraw/zinc/62/92/85/373629285.db2.gz XEDCAUCSKPWAKO-MRXNPFEDSA-N 1 0 284.359 2.563 50 0 CFAARO O=C(CCc1ccccc1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058183170 373631157 /nfs/dbraw/zinc/63/11/57/373631157.db2.gz IBDOVUGPEWLAKE-ZDUSSCGKSA-N 1 0 292.810 2.626 50 0 CFAARO CCOc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000058195936 373631462 /nfs/dbraw/zinc/63/14/62/373631462.db2.gz HTUPOGGGXAJBDN-AWEZNQCLSA-N 1 0 290.407 2.545 50 0 CFAARO COc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1F ZINC000058268689 373639220 /nfs/dbraw/zinc/63/92/20/373639220.db2.gz MURXCTASJGSSGA-UHFFFAOYSA-N 1 0 289.354 2.937 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1O ZINC000058281517 373640290 /nfs/dbraw/zinc/64/02/90/373640290.db2.gz RBEYQLUMCJVWSY-MRXNPFEDSA-N 1 0 287.359 2.532 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1ccc(Cl)s1 ZINC000058298925 373643197 /nfs/dbraw/zinc/64/31/97/373643197.db2.gz HCZQHDLXEBIYHX-VHSXEESVSA-N 1 0 296.827 2.991 50 0 CFAARO CCN(C(C)=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000058311727 373644805 /nfs/dbraw/zinc/64/48/05/373644805.db2.gz AQJCTIIATUSJFQ-BBRMVZONSA-N 1 0 260.381 2.690 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(F)c(C)c1 ZINC000058391807 373652572 /nfs/dbraw/zinc/65/25/72/373652572.db2.gz OUHQKVXGGOQOBX-UHFFFAOYSA-N 1 0 290.386 2.532 50 0 CFAARO C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000057567452 373600337 /nfs/dbraw/zinc/60/03/37/373600337.db2.gz KPQDEQNQBXZXMQ-CQSZACIVSA-N 1 0 292.398 2.749 50 0 CFAARO O=C([C@H](c1ccccc1)[NH+]1CCCC1)N1CCCCC1 ZINC000057992585 373621073 /nfs/dbraw/zinc/62/10/73/373621073.db2.gz SZPJBMKJHXNHJV-INIZCTEOSA-N 1 0 272.392 2.836 50 0 CFAARO Fc1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1F ZINC000060363249 373692239 /nfs/dbraw/zinc/69/22/39/373692239.db2.gz CCWFZBXQTGOWRN-GFCCVEGCSA-N 1 0 283.318 2.550 50 0 CFAARO Cc1ccccc1CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611443 373721463 /nfs/dbraw/zinc/72/14/63/373721463.db2.gz MERJPZJEQAZMLZ-KRWDZBQOSA-N 1 0 282.387 2.696 50 0 CFAARO C[C@H](O)CC[NH2+][C@@H]1CCCSc2ccccc21 ZINC000089895543 299448731 /nfs/dbraw/zinc/44/87/31/299448731.db2.gz QNSWUJNGKGCFRV-WCQYABFASA-N 1 0 251.395 2.974 50 0 CFAARO Cc1nc(CCC[NH+](C)C)n(-c2cccc3cccnc32)n1 ZINC000063856551 373816967 /nfs/dbraw/zinc/81/69/67/373816967.db2.gz TXDXVZRENGWWIT-UHFFFAOYSA-N 1 0 295.390 2.618 50 0 CFAARO C/C=C(\C)C[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000065495785 373879255 /nfs/dbraw/zinc/87/92/55/373879255.db2.gz UXWMCYDMGSNYLF-HZRBCOPISA-N 1 0 266.429 2.529 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000065496760 373879433 /nfs/dbraw/zinc/87/94/33/373879433.db2.gz ZYVWBXJYUCMOTF-SNVBAGLBSA-N 1 0 263.341 2.516 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C2Cc3ccccc3C2)C1 ZINC000065526323 373882587 /nfs/dbraw/zinc/88/25/87/373882587.db2.gz HZWFADICECYKQZ-CQSZACIVSA-N 1 0 270.420 2.712 50 0 CFAARO C[C@@H](CC(=O)N(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000065626538 373897343 /nfs/dbraw/zinc/89/73/43/373897343.db2.gz AEWKUOSZNZFVID-ZDUSSCGKSA-N 1 0 292.398 2.872 50 0 CFAARO Cc1nn(C)c(Cl)c1CN(C)CC[N@H+]1CCCC[C@@H]1C ZINC000065375250 373860917 /nfs/dbraw/zinc/86/09/17/373860917.db2.gz BEQHSTBHQXESEZ-LBPRGKRZSA-N 1 0 298.862 2.688 50 0 CFAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC000065383196 373861711 /nfs/dbraw/zinc/86/17/11/373861711.db2.gz XFQAZHWNUKMUPF-WMZOPIPTSA-N 1 0 287.403 2.749 50 0 CFAARO COc1ncc(C[N@H+](C)Cc2cccc3ncccc23)cn1 ZINC000065394617 373863761 /nfs/dbraw/zinc/86/37/61/373863761.db2.gz RYFYTDGPLXZTRJ-UHFFFAOYSA-N 1 0 294.358 2.665 50 0 CFAARO Cc1ncc(C[N@H+](C)C[C@H]2CCN(c3ccccc3)C2)[nH]1 ZINC000065398707 373865992 /nfs/dbraw/zinc/86/59/92/373865992.db2.gz AMTWMAAKGKAGMN-OAHLLOKOSA-N 1 0 284.407 2.676 50 0 CFAARO c1ncn(CC[C@H]([NH2+]C2CCCC2)c2ccccc2)n1 ZINC000065396115 373866602 /nfs/dbraw/zinc/86/66/02/373866602.db2.gz SGTJXPOVUVKHOR-INIZCTEOSA-N 1 0 270.380 2.942 50 0 CFAARO CC(C)[N@@H+](Cc1ccc2ccccc2n1)C[C@@H]1CCC(=O)N1 ZINC000065424074 373870964 /nfs/dbraw/zinc/87/09/64/373870964.db2.gz RLGSJJKDVMYTIU-INIZCTEOSA-N 1 0 297.402 2.724 50 0 CFAARO CCC[NH+]1CCC(N[C@H](c2nccn2C)C(C)C)CC1 ZINC000065430727 373871317 /nfs/dbraw/zinc/87/13/17/373871317.db2.gz PHRBFNYZRWGUOW-HNNXBMFYSA-N 1 0 278.444 2.581 50 0 CFAARO OCCC[N@@H+]1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067712868 373995425 /nfs/dbraw/zinc/99/54/25/373995425.db2.gz RHRSAYJPECDJHE-UHFFFAOYSA-N 1 0 292.766 2.736 50 0 CFAARO Cc1nc(C)c(CN2CC([N@H+]3CCCC[C@H]3C)C2)s1 ZINC000067770172 373999432 /nfs/dbraw/zinc/99/94/32/373999432.db2.gz COLBHPSNOHPAAQ-LLVKDONJSA-N 1 0 279.453 2.819 50 0 CFAARO Cc1nc(C)c(CN2CC([N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000067770170 373999777 /nfs/dbraw/zinc/99/97/77/373999777.db2.gz COLBHPSNOHPAAQ-NSHDSACASA-N 1 0 279.453 2.819 50 0 CFAARO CCCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000067783660 374000926 /nfs/dbraw/zinc/00/09/26/374000926.db2.gz OPPYCYCTGWSONI-CQSZACIVSA-N 1 0 290.407 2.547 50 0 CFAARO Cc1cc(C(=O)N2CC[N@@H+](C(C)C)[C@H](C)C2)ccc1F ZINC000067817664 374003762 /nfs/dbraw/zinc/00/37/62/374003762.db2.gz DQOQXFZMIRVFSL-CYBMUJFWSA-N 1 0 278.371 2.689 50 0 CFAARO O[C@@H]1C[N@@H+](C2CCCC2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067805127 374004174 /nfs/dbraw/zinc/00/41/74/374004174.db2.gz WWTQEULYIDRXRP-LSDHHAIUSA-N 1 0 289.375 2.508 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC2=CCCCC2)C1 ZINC000067833775 374005969 /nfs/dbraw/zinc/00/59/69/374005969.db2.gz YZKUYRJIYHOXQT-HNNXBMFYSA-N 1 0 264.413 2.723 50 0 CFAARO COc1cc(C[N@H+](C)CCC2(O)CCCC2)cc(F)c1O ZINC000067846900 374008796 /nfs/dbraw/zinc/00/87/96/374008796.db2.gz HESUQJHMDJDRCU-UHFFFAOYSA-N 1 0 297.370 2.667 50 0 CFAARO C=Cc1cccc(C[N@H+]2CCC[C@@H](CNC(C)=O)C2)c1 ZINC000067868965 374011391 /nfs/dbraw/zinc/01/13/91/374011391.db2.gz VOOYRAQSZUKDAP-KRWDZBQOSA-N 1 0 272.392 2.678 50 0 CFAARO C[N@@H+]1CC[C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000067919681 374015043 /nfs/dbraw/zinc/01/50/43/374015043.db2.gz PSMVNYDKPQSUTE-AWEZNQCLSA-N 1 0 299.418 2.559 50 0 CFAARO C[C@H](c1cccnc1)N(C)Cc1cnc(N2CCCC2)nc1 ZINC000067964804 374018057 /nfs/dbraw/zinc/01/80/57/374018057.db2.gz PDDJEISPGNBDJK-CQSZACIVSA-N 1 0 297.406 2.665 50 0 CFAARO CCCc1cnc(C)nc1-c1cc(C)cc2c1O[C@@H](C[NH3+])C2 ZINC000067947750 374018458 /nfs/dbraw/zinc/01/84/58/374018458.db2.gz JXQADTQEUZIBIO-OAHLLOKOSA-N 1 0 297.402 2.975 50 0 CFAARO Cc1nc(C)c(CN(Cc2nccn2C)C(C)C)s1 ZINC000067459642 373978770 /nfs/dbraw/zinc/97/87/70/373978770.db2.gz ACJMQLXITGAKNH-UHFFFAOYSA-N 1 0 278.425 2.904 50 0 CFAARO COc1cc(C(C)=O)ccc1O[C@@]12CC[N@H+](C1)CCC2 ZINC000067433456 373979341 /nfs/dbraw/zinc/97/93/41/373979341.db2.gz KLIKHGKKTQAHPV-INIZCTEOSA-N 1 0 275.348 2.515 50 0 CFAARO Cc1nc(C[NH3+])cc(N2CCC[C@@H]2CCc2ccccc2)n1 ZINC000067713533 373993781 /nfs/dbraw/zinc/99/37/81/373993781.db2.gz RDJLWJGNCGGCQI-QGZVFWFLSA-N 1 0 296.418 2.845 50 0 CFAARO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)C[NH2+]1 ZINC000068577474 374034792 /nfs/dbraw/zinc/03/47/92/374034792.db2.gz BCUFIZDAINPDHF-HUUCEWRRSA-N 1 0 276.380 2.786 50 0 CFAARO CC[C@H](C(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000069322694 374053797 /nfs/dbraw/zinc/05/37/97/374053797.db2.gz UKYLHAJIMZXLGT-INIZCTEOSA-N 1 0 274.408 2.733 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000069351310 374056490 /nfs/dbraw/zinc/05/64/90/374056490.db2.gz YYRNGTPQUKZXRL-AWEZNQCLSA-N 1 0 293.374 2.518 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(-n2cccn2)cc1)n1cccn1 ZINC000069391856 374057332 /nfs/dbraw/zinc/05/73/32/374057332.db2.gz SILGLMGOKNJUMS-LSDHHAIUSA-N 1 0 295.390 2.808 50 0 CFAARO Clc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000069657727 374083191 /nfs/dbraw/zinc/08/31/91/374083191.db2.gz WXQQHEDUFHBOHU-LLVKDONJSA-N 1 0 296.827 2.905 50 0 CFAARO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000069900836 374109120 /nfs/dbraw/zinc/10/91/20/374109120.db2.gz FFUKLXVDFXBPQV-UHFFFAOYSA-N 1 0 296.361 2.769 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000069919433 374109557 /nfs/dbraw/zinc/10/95/57/374109557.db2.gz CHQNWRVSIVRYFA-INIZCTEOSA-N 1 0 270.380 2.560 50 0 CFAARO O=C1CCCN1CCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000069951236 374111688 /nfs/dbraw/zinc/11/16/88/374111688.db2.gz MYBGQMOXNWBURB-UHFFFAOYSA-N 1 0 290.382 2.807 50 0 CFAARO C[C@H]([C@H](C)[NH2+]CCOc1ccc(F)cc1)n1cccn1 ZINC000069967228 374112609 /nfs/dbraw/zinc/11/26/09/374112609.db2.gz QTRZZYISNAYMSE-QWHCGFSZSA-N 1 0 277.343 2.640 50 0 CFAARO CSc1ccc(C)c(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000070005270 374115371 /nfs/dbraw/zinc/11/53/71/374115371.db2.gz VJTYOOVKYQUYEF-ZDUSSCGKSA-N 1 0 292.448 2.883 50 0 CFAARO c1cnn(CC[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000070039708 374117611 /nfs/dbraw/zinc/11/76/11/374117611.db2.gz ZUWJGEYCGFCFFY-UHFFFAOYSA-N 1 0 284.388 2.796 50 0 CFAARO Cc1cccc(Oc2ccccc2CNC(N)=[NH2+])c1 ZINC000069736903 374091476 /nfs/dbraw/zinc/09/14/76/374091476.db2.gz DARSVTWUGFGXNR-UHFFFAOYSA-N 1 0 255.321 2.770 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000069809562 374099879 /nfs/dbraw/zinc/09/98/79/374099879.db2.gz DFAIFBCOFSBDMP-UHFFFAOYSA-N 1 0 298.789 2.576 50 0 CFAARO CC[C@@](C)(CO)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000069849253 374104457 /nfs/dbraw/zinc/10/44/57/374104457.db2.gz DCHLCKGIYVUGTG-INIZCTEOSA-N 1 0 281.396 2.733 50 0 CFAARO Cc1nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2o1 ZINC000069899823 374106813 /nfs/dbraw/zinc/10/68/13/374106813.db2.gz ZMFRSBVMJHLNAK-UHFFFAOYSA-N 1 0 287.363 2.951 50 0 CFAARO CC(C)C[C@@H](C)[N@H+](C)Cc1nc(-c2ccncc2)no1 ZINC000069879168 374107247 /nfs/dbraw/zinc/10/72/47/374107247.db2.gz FOGKWRHXRVVJOJ-GFCCVEGCSA-N 1 0 274.368 2.998 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000070172358 374138034 /nfs/dbraw/zinc/13/80/34/374138034.db2.gz JIKMDRIHQNJCLK-WDEREUQCSA-N 1 0 266.410 2.510 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000070173064 374140180 /nfs/dbraw/zinc/14/01/80/374140180.db2.gz ZAPSCTNNCKRANX-QWRGUYRKSA-N 1 0 298.789 2.607 50 0 CFAARO [NH3+]CCC1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000070463084 374183611 /nfs/dbraw/zinc/18/36/11/374183611.db2.gz UVBHYMIOQUMRSK-UHFFFAOYSA-N 1 0 283.322 2.558 50 0 CFAARO CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071762163 374220808 /nfs/dbraw/zinc/22/08/08/374220808.db2.gz DDXOJWIBQYMJKG-QGZVFWFLSA-N 1 0 292.398 2.905 50 0 CFAARO [NH3+]C1(C(=O)N2CCC[C@H](CCc3ccccc3)C2)CCC1 ZINC000071761411 374222054 /nfs/dbraw/zinc/22/20/54/374222054.db2.gz XZMFRDFUVZCKGF-MRXNPFEDSA-N 1 0 286.419 2.739 50 0 CFAARO C[NH+](C)CCCC1(O)c2ccccc2C(O)c2ccccc21 ZINC000071772403 374223427 /nfs/dbraw/zinc/22/34/27/374223427.db2.gz GOTIYLWSHRPFEH-UHFFFAOYSA-N 1 0 297.398 2.659 50 0 CFAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000071876645 374226877 /nfs/dbraw/zinc/22/68/77/374226877.db2.gz HFNMMTITZWRULZ-LSDHHAIUSA-N 1 0 277.412 2.743 50 0 CFAARO c1ccc2nc(N3CCC[C@@H]([NH+]4CCCC4)C3)cnc2c1 ZINC000071816906 374228442 /nfs/dbraw/zinc/22/84/42/374228442.db2.gz RZVHWZACGRGPKZ-CQSZACIVSA-N 1 0 282.391 2.694 50 0 CFAARO CN1CCN(C2CC[NH+](C/C=C/c3ccccc3)CC2)C1=O ZINC000072267479 374237659 /nfs/dbraw/zinc/23/76/59/374237659.db2.gz RGBHKDMVNLSWMC-VMPITWQZSA-N 1 0 299.418 2.532 50 0 CFAARO COCC(C)(C)C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000491457128 246070280 /nfs/dbraw/zinc/07/02/80/246070280.db2.gz IBXBFWAZMHHYTN-AWEZNQCLSA-N 1 0 262.397 2.528 50 0 CFAARO COc1cc(OC)c([NH+]=c2ccccn2C)cc1Cl ZINC000334157763 206119731 /nfs/dbraw/zinc/11/97/31/206119731.db2.gz AVOHQUXOCSLGDC-UHFFFAOYSA-N 1 0 278.739 2.928 50 0 CFAARO C[C@@H]1C[C@@H]([N@@H+]2CC[C@H](CSc3ccccc3)C2)C(=O)O1 ZINC000075965031 374514435 /nfs/dbraw/zinc/51/44/35/374514435.db2.gz OKRJPCYAESQDOJ-VNHYZAJKSA-N 1 0 291.416 2.805 50 0 CFAARO Cc1cccc([C@@H](C)[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000075638759 374498117 /nfs/dbraw/zinc/49/81/17/374498117.db2.gz BFZPYUMMPKVBRZ-CYBMUJFWSA-N 1 0 260.381 2.643 50 0 CFAARO Cc1ccc(F)c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1Cl ZINC000077438711 374562481 /nfs/dbraw/zinc/56/24/81/374562481.db2.gz ATKJQJQNSOMSQE-CMPLNLGQSA-N 1 0 296.773 2.564 50 0 CFAARO O=C(C[N@@H+]1CCCCC[C@H]1c1ccco1)N1CCCC1 ZINC000077177114 374558256 /nfs/dbraw/zinc/55/82/56/374558256.db2.gz LDXWPWDJVAFZEH-AWEZNQCLSA-N 1 0 276.380 2.819 50 0 CFAARO CCCCS[C@H](C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000079098890 374593673 /nfs/dbraw/zinc/59/36/73/374593673.db2.gz AYCSBRRAJSYVPB-OUCADQQQSA-N 1 0 284.469 2.507 50 0 CFAARO C[NH+](C)[C@H](Cn1ccnc1-c1ccccn1)c1ccccn1 ZINC000082098607 374726567 /nfs/dbraw/zinc/72/65/67/374726567.db2.gz KAOMOYQGUIZPOL-MRXNPFEDSA-N 1 0 293.374 2.643 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000089375340 374897882 /nfs/dbraw/zinc/89/78/82/374897882.db2.gz GASUSFSUFUOXLM-RYUDHWBXSA-N 1 0 285.844 2.855 50 0 CFAARO OCc1ccc(C[NH2+]C[C@H]2C[C@]23CCc2ccccc23)o1 ZINC000088745153 374862979 /nfs/dbraw/zinc/86/29/79/374862979.db2.gz GJIMEHIKKVAMKT-RDTXWAMCSA-N 1 0 283.371 2.766 50 0 CFAARO CCc1nc(C)c([C@@H](C)[NH2+]CCc2nc(C)no2)s1 ZINC000089517759 374916624 /nfs/dbraw/zinc/91/66/24/374916624.db2.gz PPSKYVQFQMILBG-MRVPVSSYSA-N 1 0 280.397 2.599 50 0 CFAARO Cc1noc(CC[NH2+][C@@H](C)[C@H](C)c2ccccc2)n1 ZINC000089518725 374918757 /nfs/dbraw/zinc/91/87/57/374918757.db2.gz JSHXISSPHAXJTF-RYUDHWBXSA-N 1 0 259.353 2.702 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1sc(C)nc1C)CCC2 ZINC000089702101 374938530 /nfs/dbraw/zinc/93/85/30/374938530.db2.gz XJNWCYRHKBHEKL-CYBMUJFWSA-N 1 0 290.436 2.932 50 0 CFAARO COc1cc(CC[NH2+]C2Cc3ccccc3C2)ccc1O ZINC000089727570 374943190 /nfs/dbraw/zinc/94/31/90/374943190.db2.gz FAKJSIOHJQQBCV-UHFFFAOYSA-N 1 0 283.371 2.700 50 0 CFAARO OC[C@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000089813894 374956748 /nfs/dbraw/zinc/95/67/48/374956748.db2.gz BUBOZABOCCAUHR-LBPRGKRZSA-N 1 0 253.773 2.587 50 0 CFAARO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000089942806 374974760 /nfs/dbraw/zinc/97/47/60/374974760.db2.gz ODHMIEBZJPOPHE-ZBFHGGJFSA-N 1 0 287.407 2.768 50 0 CFAARO CCC(=O)N1CC[C@H](Nc2cc(C)[nH+]c3ccccc23)C1 ZINC000089941617 374974923 /nfs/dbraw/zinc/97/49/23/374974923.db2.gz KIARCBKAICFFLH-ZDUSSCGKSA-N 1 0 283.375 2.966 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2occc2C)[C@@H](CC)C1 ZINC000089948790 374974988 /nfs/dbraw/zinc/97/49/88/374974988.db2.gz ZJOBEPNVOYBWCP-KBPBESRZSA-N 1 0 278.396 2.715 50 0 CFAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cscn1 ZINC000089949180 374976210 /nfs/dbraw/zinc/97/62/10/374976210.db2.gz XFCOWRICAXPIIR-JSGCOSHPSA-N 1 0 295.452 2.516 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccsc2)[C@@H](CC)C1 ZINC000089949098 374977102 /nfs/dbraw/zinc/97/71/02/374977102.db2.gz NNFWMFUKCVELAP-KBPBESRZSA-N 1 0 280.437 2.875 50 0 CFAARO O=C(OC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000089974250 374977886 /nfs/dbraw/zinc/97/78/86/374977886.db2.gz UFWCEPGYSFFLLX-MRXNPFEDSA-N 1 0 296.370 2.761 50 0 CFAARO O=C(OC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000089974249 374978856 /nfs/dbraw/zinc/97/88/56/374978856.db2.gz UFWCEPGYSFFLLX-INIZCTEOSA-N 1 0 296.370 2.761 50 0 CFAARO C[C@H](CO)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091306115 375048125 /nfs/dbraw/zinc/04/81/25/375048125.db2.gz YWZBTMJOSSVMES-RNCFNFMXSA-N 1 0 284.197 2.871 50 0 CFAARO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000092708665 375142823 /nfs/dbraw/zinc/14/28/23/375142823.db2.gz QSYIKVPMKKAFBC-LBPRGKRZSA-N 1 0 266.410 2.629 50 0 CFAARO C[N@H+](Cc1ccc2c(c1)OCO2)C1CCSCC1 ZINC000092873655 375166289 /nfs/dbraw/zinc/16/62/89/375166289.db2.gz STEXQUXQMMXULO-UHFFFAOYSA-N 1 0 265.378 2.743 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)o1 ZINC000092967622 375170967 /nfs/dbraw/zinc/17/09/67/375170967.db2.gz CZLMJJHVAKBDRP-CYBMUJFWSA-N 1 0 259.353 2.876 50 0 CFAARO CCn1nc(C)c(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)c1C ZINC000092540660 375121359 /nfs/dbraw/zinc/12/13/59/375121359.db2.gz QSHCZZNWMBUSDC-PHIMTYICSA-N 1 0 267.442 2.846 50 0 CFAARO COC[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000093338094 375215870 /nfs/dbraw/zinc/21/58/70/375215870.db2.gz DLCQFZKIMNQRPF-CYBMUJFWSA-N 1 0 267.344 2.693 50 0 CFAARO Cc1nc(CN[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH]c1C ZINC000571582474 383707735 /nfs/dbraw/zinc/70/77/35/383707735.db2.gz RXBOEUSTQFMURB-YOEHRIQHSA-N 1 0 286.423 2.808 50 0 CFAARO NC(=O)N1CCC([N@@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000093755895 375305065 /nfs/dbraw/zinc/30/50/65/375305065.db2.gz HOASDQYETPLQEO-UHFFFAOYSA-N 1 0 293.455 2.966 50 0 CFAARO CC[N@@H+](Cc1[nH]cc(C)c(=O)c1C)CC1CCOCC1 ZINC000253537077 189994453 /nfs/dbraw/zinc/99/44/53/189994453.db2.gz WOEKNDWALPGBNO-UHFFFAOYSA-N 1 0 278.396 2.653 50 0 CFAARO Cc1ccc(C[NH2+]C[C@@H](C)Oc2ccccn2)cc1 ZINC000095472023 375459195 /nfs/dbraw/zinc/45/91/95/375459195.db2.gz AWCSJSJAPIQYCG-CQSZACIVSA-N 1 0 256.349 2.947 50 0 CFAARO CC[C@@H]1CC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000095468613 375460072 /nfs/dbraw/zinc/46/00/72/375460072.db2.gz AXUNLKZTXVJGJF-NVXWUHKLSA-N 1 0 273.424 2.778 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)[NH2+]CC[C@@H]12 ZINC000095707563 375463237 /nfs/dbraw/zinc/46/32/37/375463237.db2.gz XNMFFEJCPXOIHP-RHSMWYFYSA-N 1 0 288.391 2.885 50 0 CFAARO CC(=O)Nc1nc(C)c(C[NH+]2CCC(C)CC2)s1 ZINC000094986167 375402791 /nfs/dbraw/zinc/40/27/91/375402791.db2.gz RICROVGQBORYPC-UHFFFAOYSA-N 1 0 267.398 2.642 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1 ZINC000095098702 375416437 /nfs/dbraw/zinc/41/64/37/375416437.db2.gz FGZGKHUZFAYJGU-OAHLLOKOSA-N 1 0 262.397 2.659 50 0 CFAARO c1c[nH]c(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)n1 ZINC000095374588 375422616 /nfs/dbraw/zinc/42/26/16/375422616.db2.gz OVABQMSHRPVFDY-DLBZAZTESA-N 1 0 296.418 2.506 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000096151703 375470327 /nfs/dbraw/zinc/47/03/27/375470327.db2.gz SMJGEIMNZGGCCO-LBPRGKRZSA-N 1 0 289.379 2.573 50 0 CFAARO Cc1ccnc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000095379545 375425085 /nfs/dbraw/zinc/42/50/85/375425085.db2.gz LROQWWVHGZZQMA-CQSZACIVSA-N 1 0 274.412 2.852 50 0 CFAARO COc1cccc2c1OC[C@H](Cc1ccccc1CC[NH3+])C2 ZINC000095377132 375425367 /nfs/dbraw/zinc/42/53/67/375425367.db2.gz IYOQKQSMKGYODW-CQSZACIVSA-N 1 0 297.398 2.990 50 0 CFAARO CCC[C@H](CNc1ncnc2nc(C)cc(C)c21)[NH+](C)C ZINC000095375148 375425660 /nfs/dbraw/zinc/42/56/60/375425660.db2.gz MYPCAUIBWBAREG-CYBMUJFWSA-N 1 0 287.411 2.784 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2nc(C)cc(C)c21 ZINC000095382900 375426807 /nfs/dbraw/zinc/42/68/07/375426807.db2.gz UDLMYKZJUFTNMY-CYBMUJFWSA-N 1 0 285.395 2.538 50 0 CFAARO CCn1nc(-c2cccc([C@H](C)[NH+](C)C)c2)nc1N(C)C ZINC000096153436 375470445 /nfs/dbraw/zinc/47/04/45/375470445.db2.gz PSFILNNLDZFKNK-LBPRGKRZSA-N 1 0 287.411 2.654 50 0 CFAARO CSCCCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095387967 375428802 /nfs/dbraw/zinc/42/88/02/375428802.db2.gz RIPGJBCMHBJFKW-OAHLLOKOSA-N 1 0 292.448 2.637 50 0 CFAARO CC(C)OCC1CCN(c2cc(C(C)C)[nH+]c(N)n2)CC1 ZINC000095390299 375429016 /nfs/dbraw/zinc/42/90/16/375429016.db2.gz HGSQGVISPCEPHX-UHFFFAOYSA-N 1 0 292.427 2.824 50 0 CFAARO CCSCCNC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000095391146 375429232 /nfs/dbraw/zinc/42/92/32/375429232.db2.gz FXQHSQXVPXTLDE-HNNXBMFYSA-N 1 0 292.448 2.637 50 0 CFAARO O=C([C@H]1CCC[N@@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC000095400264 375432293 /nfs/dbraw/zinc/43/22/93/375432293.db2.gz FZPURDKQEQXGRY-LBPRGKRZSA-N 1 0 292.345 2.663 50 0 CFAARO C(C1CCC1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000095404832 375433310 /nfs/dbraw/zinc/43/33/10/375433310.db2.gz ATJGYIIHEPYJOK-HNNXBMFYSA-N 1 0 288.439 2.984 50 0 CFAARO Cn1cccc1C[NH2+]CCNc1ccc(C(F)(F)F)cn1 ZINC000095409602 375434547 /nfs/dbraw/zinc/43/45/47/375434547.db2.gz AQBUDZGQSCWLNU-UHFFFAOYSA-N 1 0 298.312 2.641 50 0 CFAARO CCCC(=O)N1CCC([NH2+]Cc2ccc(CC)o2)CC1 ZINC000095415458 375437677 /nfs/dbraw/zinc/43/76/77/375437677.db2.gz DQULRTCCXKLZEP-UHFFFAOYSA-N 1 0 278.396 2.723 50 0 CFAARO CC(=O)NCCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415401 375438025 /nfs/dbraw/zinc/43/80/25/375438025.db2.gz FTEQSHIUMWXPNS-UHFFFAOYSA-N 1 0 291.782 2.504 50 0 CFAARO CCNC(=O)C[NH2+][C@H](C)c1ccc(SC(F)F)cc1 ZINC000095419404 375439625 /nfs/dbraw/zinc/43/96/25/375439625.db2.gz IYSVKLHRWBIMNH-SECBINFHSA-N 1 0 288.363 2.788 50 0 CFAARO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC)cc2)C1 ZINC000095421617 375440930 /nfs/dbraw/zinc/44/09/30/375440930.db2.gz UXTOEIXKOOMSFG-GXTWGEPZSA-N 1 0 292.379 2.577 50 0 CFAARO C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccsc2S1 ZINC000095422836 375441952 /nfs/dbraw/zinc/44/19/52/375441952.db2.gz OJRXNHUYCJQIAE-NHCYSSNCSA-N 1 0 296.461 2.884 50 0 CFAARO C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccsc2S1 ZINC000095422834 375442033 /nfs/dbraw/zinc/44/20/33/375442033.db2.gz OJRXNHUYCJQIAE-UMNHJUIQSA-N 1 0 296.461 2.884 50 0 CFAARO Cc1ncc2c(n1)CCC[C@H]2NC1CC[NH+](C(C)C)CC1 ZINC000095422593 375442802 /nfs/dbraw/zinc/44/28/02/375442802.db2.gz CIZSUVQESQNNCF-QGZVFWFLSA-N 1 0 288.439 2.625 50 0 CFAARO c1ncn(C[C@H]([NH2+]C[C@H]2CC=CCC2)c2ccccc2)n1 ZINC000095433970 375446620 /nfs/dbraw/zinc/44/66/20/375446620.db2.gz DGLMORSIHMCSNB-RDJZCZTQSA-N 1 0 282.391 2.965 50 0 CFAARO c1ccc2c(c1)CC[C@]21C[N@H+](CCc2ccncc2)CCO1 ZINC000095435461 375448251 /nfs/dbraw/zinc/44/82/51/375448251.db2.gz OMVAFHZNALVFRJ-IBGZPJMESA-N 1 0 294.398 2.798 50 0 CFAARO O=C(c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000095434118 375448374 /nfs/dbraw/zinc/44/83/74/375448374.db2.gz QBSBLTOISHFFFC-NVXWUHKLSA-N 1 0 284.403 2.847 50 0 CFAARO Cc1cnc(CC[N@@H+](C)CCc2ccncc2)s1 ZINC000095438006 375449339 /nfs/dbraw/zinc/44/93/39/375449339.db2.gz QTTJWAZJVOKYQN-UHFFFAOYSA-N 1 0 261.394 2.564 50 0 CFAARO Fc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000095436236 375449450 /nfs/dbraw/zinc/44/94/50/375449450.db2.gz PZBLNCGPCYBKMV-CFVMTHIKSA-N 1 0 261.340 2.873 50 0 CFAARO CC(C)NC(=O)CC[NH2+]C[C@H]1CCCc2ccccc21 ZINC000095443052 375450579 /nfs/dbraw/zinc/45/05/79/375450579.db2.gz ZFKFWDWCEKFTGS-OAHLLOKOSA-N 1 0 274.408 2.611 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000097159574 375532897 /nfs/dbraw/zinc/53/28/97/375532897.db2.gz SSZDWXPDZRYELT-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO Cc1nn(CCO)c(C)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000097159719 375533034 /nfs/dbraw/zinc/53/30/34/375533034.db2.gz SXOBEAQOFPEPGK-SFHVURJKSA-N 1 0 299.418 2.659 50 0 CFAARO C[C@@H]1CN(C2CC(c3cccc(F)c3)C2)C[C@@H](C)[NH2+]1 ZINC000097165803 375535639 /nfs/dbraw/zinc/53/56/39/375535639.db2.gz ADVOKXJUMRZTRF-LGTQLRDQSA-N 1 0 262.372 2.754 50 0 CFAARO Cc1ncc(C[NH+]2CCC(c3cn[nH]c3)CC2)s1 ZINC000097202882 375539559 /nfs/dbraw/zinc/53/95/59/375539559.db2.gz HMOKJAVBZVLDAU-UHFFFAOYSA-N 1 0 262.382 2.554 50 0 CFAARO Cc1ccccc1C[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000096477642 375489671 /nfs/dbraw/zinc/48/96/71/375489671.db2.gz PIFFTAOBIVFFPN-INIZCTEOSA-N 1 0 290.451 2.626 50 0 CFAARO COc1cccc2[nH]cc(CC[NH2+]Cc3cncs3)c21 ZINC000097047098 375501336 /nfs/dbraw/zinc/50/13/36/375501336.db2.gz QTSATPGXZUSFOO-UHFFFAOYSA-N 1 0 287.388 2.965 50 0 CFAARO Cn1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000097082148 375508850 /nfs/dbraw/zinc/50/88/50/375508850.db2.gz GMZNYPJBRUTMIJ-BPQIPLTHSA-N 1 0 296.418 2.743 50 0 CFAARO C[N@@H+](Cc1cc(Cl)cc2c1OCC2)C[C@H]1CCOC1 ZINC000097084450 375511589 /nfs/dbraw/zinc/51/15/89/375511589.db2.gz UXMMEAOZDRKYED-LLVKDONJSA-N 1 0 281.783 2.743 50 0 CFAARO Cc1[nH+]c2ccccc2c(N2CCC[C@H](C(N)=O)C2)c1C ZINC000097085898 375513832 /nfs/dbraw/zinc/51/38/32/375513832.db2.gz FJXUUACEXGDJMM-ZDUSSCGKSA-N 1 0 283.375 2.553 50 0 CFAARO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H]2C)c1 ZINC000097094657 375515297 /nfs/dbraw/zinc/51/52/97/375515297.db2.gz MZAHHXKNYBXLQO-AWEZNQCLSA-N 1 0 281.421 2.643 50 0 CFAARO CCOC(=O)c1nc(C[NH2+][C@@H]2CCCC[C@@H]2C)cs1 ZINC000097096325 375516033 /nfs/dbraw/zinc/51/60/33/375516033.db2.gz UALUALPCLLRTNG-CMPLNLGQSA-N 1 0 282.409 2.988 50 0 CFAARO C[C@H](C[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000097103859 375518220 /nfs/dbraw/zinc/51/82/20/375518220.db2.gz LMFVQEMOCRSBKF-LLVKDONJSA-N 1 0 253.773 2.900 50 0 CFAARO c1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cs1 ZINC000097108577 375521193 /nfs/dbraw/zinc/52/11/93/375521193.db2.gz DIBIMWWEPPAXAC-AWEZNQCLSA-N 1 0 281.421 2.766 50 0 CFAARO CCn1c(C[NH2+][C@@H](C)[C@H]2CCCO2)nc2c1cccc2F ZINC000097111588 375522703 /nfs/dbraw/zinc/52/27/03/375522703.db2.gz XXLDGPYHDKWZDD-SMDDNHRTSA-N 1 0 291.370 2.852 50 0 CFAARO CC(C)(CC(=O)N1C[C@@H]2CCC[NH2+][C@@H]2C1)c1ccccc1 ZINC000097823073 375586633 /nfs/dbraw/zinc/58/66/33/375586633.db2.gz GJIJELHWROAUMK-GOEBONIOSA-N 1 0 286.419 2.565 50 0 CFAARO c1csc(C[N@@H+]2CCCC3(CCOCC3)C2)n1 ZINC000097307735 375548096 /nfs/dbraw/zinc/54/80/96/375548096.db2.gz WCVMFJYDYIGKHW-UHFFFAOYSA-N 1 0 252.383 2.536 50 0 CFAARO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccnc2)n1 ZINC000097375296 375552768 /nfs/dbraw/zinc/55/27/68/375552768.db2.gz XYXPHUUDZGWKIF-LBPRGKRZSA-N 1 0 257.337 2.684 50 0 CFAARO COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CCCO2)c(C)s1 ZINC000097374191 375552876 /nfs/dbraw/zinc/55/28/76/375552876.db2.gz TZLJEHZIPGSQAG-BXKDBHETSA-N 1 0 283.393 2.500 50 0 CFAARO COc1cc(C)c(CN2CC([NH+]3CCCCC3)C2)cc1C ZINC000097425226 375557665 /nfs/dbraw/zinc/55/76/65/375557665.db2.gz FNLYHUPOUSVXFW-UHFFFAOYSA-N 1 0 288.435 2.982 50 0 CFAARO COCc1cc(C[N@@H+]2CCCCC[C@@H]2CO)ccc1OC ZINC000097436981 375559683 /nfs/dbraw/zinc/55/96/83/375559683.db2.gz XNWZFPALVSXPEO-MRXNPFEDSA-N 1 0 293.407 2.579 50 0 CFAARO [NH3+][C@@H]1CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC000097546681 375568780 /nfs/dbraw/zinc/56/87/80/375568780.db2.gz YDEBFNBQEWBOOW-GFCCVEGCSA-N 1 0 256.752 2.792 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCSc1ccccc1 ZINC000097575075 375568836 /nfs/dbraw/zinc/56/88/36/375568836.db2.gz QVMYGEZMRGWVQQ-OAHLLOKOSA-N 1 0 292.448 2.769 50 0 CFAARO Cc1ccccc1-c1ncc(CN2CCC[C@H]([NH3+])CC2)cn1 ZINC000097610113 375573747 /nfs/dbraw/zinc/57/37/47/375573747.db2.gz YVSXLBBSPUUPLR-INIZCTEOSA-N 1 0 296.418 2.765 50 0 CFAARO CCn1nc(C)c(C[N@H+](C)CCc2ccncc2)c1C ZINC000097655484 375575679 /nfs/dbraw/zinc/57/56/79/375575679.db2.gz BJCQOGRVBSGXCA-UHFFFAOYSA-N 1 0 272.396 2.589 50 0 CFAARO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)cc1F ZINC000097674452 375577263 /nfs/dbraw/zinc/57/72/63/375577263.db2.gz VHKLTFRWXDCWDQ-CYBMUJFWSA-N 1 0 267.344 2.835 50 0 CFAARO CSc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097713596 375580422 /nfs/dbraw/zinc/58/04/22/375580422.db2.gz QVWMRYBYYPDYDJ-KGLIPLIRSA-N 1 0 262.422 2.735 50 0 CFAARO COc1ccc2cc(CN3C[C@@H]4CC[NH2+][C@@H]4C3)ccc2c1 ZINC000097743216 375582787 /nfs/dbraw/zinc/58/27/87/375582787.db2.gz NLEFNVLFFCGJIG-FUHWJXTLSA-N 1 0 282.387 2.642 50 0 CFAARO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000098091097 375602144 /nfs/dbraw/zinc/60/21/44/375602144.db2.gz BWFWSLBYPKMSLX-ZIAGYGMSSA-N 1 0 276.380 2.596 50 0 CFAARO COc1ccc2[nH]cc([C@H](O)C[N@@H+]3CCC[C@H](C)C3)c2c1 ZINC000102753428 375691403 /nfs/dbraw/zinc/69/14/03/375691403.db2.gz NPLPQYZRGWDEBQ-YVEFUNNKSA-N 1 0 288.391 2.942 50 0 CFAARO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000106865462 375803881 /nfs/dbraw/zinc/80/38/81/375803881.db2.gz BCLLHURIICTNQZ-RHSMWYFYSA-N 1 0 285.391 2.608 50 0 CFAARO CC(C)C[N@@H+]1CCCC[C@H]1CN[C@H](C)c1cnccn1 ZINC000108328644 375816038 /nfs/dbraw/zinc/81/60/38/375816038.db2.gz FIHYEKZTAVKWCH-CABCVRRESA-N 1 0 276.428 2.638 50 0 CFAARO OC1(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000112717030 375954311 /nfs/dbraw/zinc/95/43/11/375954311.db2.gz SDWMQKBIMULRHD-UHFFFAOYSA-N 1 0 290.190 2.625 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)CCc1ccccc1Cl ZINC000130881414 377624746 /nfs/dbraw/zinc/62/47/46/377624746.db2.gz CXBVJLHNWYUEIC-ZDUSSCGKSA-N 1 0 280.799 2.612 50 0 CFAARO c1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000131836893 377765411 /nfs/dbraw/zinc/76/54/11/377765411.db2.gz SQJNXCFMLKRWIE-MRXNPFEDSA-N 1 0 254.333 2.735 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000132328153 377827510 /nfs/dbraw/zinc/82/75/10/377827510.db2.gz FUEXOBANFPWLKY-ZDUSSCGKSA-N 1 0 282.343 2.652 50 0 CFAARO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccncc1 ZINC000133674020 377948592 /nfs/dbraw/zinc/94/85/92/377948592.db2.gz XOTJZZMDEOELST-IAGOWNOFSA-N 1 0 295.386 2.946 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000133139697 377907785 /nfs/dbraw/zinc/90/77/85/377907785.db2.gz ARZMSOPPDCKKPI-CABCVRRESA-N 1 0 274.408 2.699 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000135212495 378099513 /nfs/dbraw/zinc/09/95/13/378099513.db2.gz GQJTYFBGAGTJOK-GFCCVEGCSA-N 1 0 280.799 2.720 50 0 CFAARO C[NH2+]CC1CCN(C(=O)c2ccc(Cl)c(C)c2)CC1 ZINC000135227873 378101102 /nfs/dbraw/zinc/10/11/02/378101102.db2.gz OFABJUZKEVAVRS-UHFFFAOYSA-N 1 0 280.799 2.720 50 0 CFAARO Cc1cc(Cl)ccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000136141661 378181861 /nfs/dbraw/zinc/18/18/61/378181861.db2.gz GOSUDHCSDMPPNC-UHFFFAOYSA-N 1 0 294.826 2.949 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1(N(C)C)CCOCC1 ZINC000152582100 378431573 /nfs/dbraw/zinc/43/15/73/378431573.db2.gz JQXGZUNGYXCGGB-CVEARBPZSA-N 1 0 280.456 2.679 50 0 CFAARO C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)C[C@H](C)[NH2+]1 ZINC000153841133 378516429 /nfs/dbraw/zinc/51/64/29/378516429.db2.gz NDVNKIRJZPBOCA-AOOOYVTPSA-N 1 0 286.828 2.543 50 0 CFAARO C[C@H]1CN(C(=O)CCc2cc(Cl)cs2)C[C@H](C)[NH2+]1 ZINC000153841250 378517223 /nfs/dbraw/zinc/51/72/23/378517223.db2.gz NDVNKIRJZPBOCA-UWVGGRQHSA-N 1 0 286.828 2.543 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)CC(C)(C)C ZINC000048326041 412900824 /nfs/dbraw/zinc/90/08/24/412900824.db2.gz HQNJIHAPIQRUFN-UHFFFAOYSA-N 1 0 262.397 2.801 50 0 CFAARO CCCn1c2ccccc2n(CN(C)CC2CC2)c1=O ZINC000170592590 379121339 /nfs/dbraw/zinc/12/13/39/379121339.db2.gz DWPBUOLKJXCWSG-UHFFFAOYSA-N 1 0 273.380 2.512 50 0 CFAARO C[NH+](C)CCN(C(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000170600347 379124587 /nfs/dbraw/zinc/12/45/87/379124587.db2.gz NZCYYJOXNNTZRO-UHFFFAOYSA-N 1 0 281.787 2.898 50 0 CFAARO CCc1cccc(NC(=O)Cn2cnc(C)c2C)c1 ZINC000171667007 379366129 /nfs/dbraw/zinc/36/61/29/379366129.db2.gz RRTLLCAFZFLYCA-UHFFFAOYSA-N 1 0 257.337 2.701 50 0 CFAARO Cc1cc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)on1 ZINC000172257256 379527111 /nfs/dbraw/zinc/52/71/11/379527111.db2.gz RQODTXMHPSKAKO-QGZVFWFLSA-N 1 0 286.375 2.855 50 0 CFAARO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000174270670 379856289 /nfs/dbraw/zinc/85/62/89/379856289.db2.gz QFJQVDJZUAFXIV-HNNXBMFYSA-N 1 0 286.419 2.957 50 0 CFAARO C[C@]1(C[NH2+][C@@H]2CCCCC23CCCC3)CCC(=O)N1 ZINC000335223356 380032294 /nfs/dbraw/zinc/03/22/94/380032294.db2.gz YPDGTTDTZMXHOR-UKRRQHHQSA-N 1 0 264.413 2.748 50 0 CFAARO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178569056 380464789 /nfs/dbraw/zinc/46/47/89/380464789.db2.gz DBVAGIDWUKWYFL-GWJCSSMESA-N 1 0 298.386 2.816 50 0 CFAARO COCCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000408524663 380940376 /nfs/dbraw/zinc/94/03/76/380940376.db2.gz XGLVVFWNIDUXPB-UHFFFAOYSA-N 1 0 284.350 2.513 50 0 CFAARO CC(C)CCOCCOC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525391 380942688 /nfs/dbraw/zinc/94/26/88/380942688.db2.gz XYLZUQDQSYRYIA-AWEZNQCLSA-N 1 0 273.417 2.603 50 0 CFAARO C[N@H+](Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCCC[C@H]1O ZINC000342795642 381546025 /nfs/dbraw/zinc/54/60/25/381546025.db2.gz GXGMUQZQXNEFGB-ZIAGYGMSSA-N 1 0 277.412 2.509 50 0 CFAARO CN1c2ccccc2[C@@]2(CC[NH2+][C@H]2c2ccccc2)C1=O ZINC000000355024 169615592 /nfs/dbraw/zinc/61/55/92/169615592.db2.gz MFTNZVMUWPSAGS-FUHWJXTLSA-N 1 0 278.355 2.635 50 0 CFAARO c1ccc(C[NH2+]Cc2cccc(OC[C@@H]3CCOC3)c2)nc1 ZINC000299760408 382043846 /nfs/dbraw/zinc/04/38/46/382043846.db2.gz GJWLHEMYRFIZQN-MRXNPFEDSA-N 1 0 298.386 2.787 50 0 CFAARO Cc1nc[nH]c1C[N@H+](C)CCn1ccc2ccccc21 ZINC000299789229 382048806 /nfs/dbraw/zinc/04/88/06/382048806.db2.gz UQHQTQRJJMGDDU-UHFFFAOYSA-N 1 0 268.364 2.805 50 0 CFAARO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc(F)c1 ZINC000186843965 382028477 /nfs/dbraw/zinc/02/84/77/382028477.db2.gz DUDUSDFHHWCIOA-PGQWDYDZSA-N 1 0 257.374 2.633 50 0 CFAARO CCC[C@@]1(CO)CC[N@H+](Cc2nc3ccc(F)cc3o2)C1 ZINC000377491920 382276866 /nfs/dbraw/zinc/27/68/66/382276866.db2.gz ONGTVGVTDOLLNQ-MRXNPFEDSA-N 1 0 292.354 2.951 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)s1 ZINC000188402407 382408369 /nfs/dbraw/zinc/40/83/69/382408369.db2.gz XGTFTGDVLAOFBS-CYBMUJFWSA-N 1 0 261.394 2.918 50 0 CFAARO Fc1ccccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000039358094 184546242 /nfs/dbraw/zinc/54/62/42/184546242.db2.gz UQFPVEOCAVEVGE-HNNXBMFYSA-N 1 0 262.372 2.886 50 0 CFAARO COc1ccc(C)cc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000051188128 184565197 /nfs/dbraw/zinc/56/51/97/184565197.db2.gz LMTONQWCSAFCSE-FUHWJXTLSA-N 1 0 283.371 2.752 50 0 CFAARO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C=CCCC1 ZINC000190210919 382656929 /nfs/dbraw/zinc/65/69/29/382656929.db2.gz RBSHNZZQVYYVFT-HNNXBMFYSA-N 1 0 279.428 2.613 50 0 CFAARO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000191175149 382694388 /nfs/dbraw/zinc/69/43/88/382694388.db2.gz CUSXYZKLIMFNIR-LBPRGKRZSA-N 1 0 292.810 2.863 50 0 CFAARO COC[C@H]([NH2+]CCc1nc(C)no1)c1ccc(Cl)cc1 ZINC000194091752 382734787 /nfs/dbraw/zinc/73/47/87/382734787.db2.gz GALTTZIETBFGNZ-ZDUSSCGKSA-N 1 0 295.770 2.551 50 0 CFAARO CC(=O)N1CCC(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193131765 382716280 /nfs/dbraw/zinc/71/62/80/382716280.db2.gz GOEBSPYLULVTBD-IUODEOHRSA-N 1 0 266.429 2.659 50 0 CFAARO COC[C@H]([NH2+]CCn1cc(C)cn1)c1ccc(Cl)cc1 ZINC000193667355 382722140 /nfs/dbraw/zinc/72/21/40/382722140.db2.gz ZWCTUMFGPAZEDE-HNNXBMFYSA-N 1 0 293.798 2.822 50 0 CFAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000092740218 184624234 /nfs/dbraw/zinc/62/42/34/184624234.db2.gz PZZNJZGAADRDCA-BBRMVZONSA-N 1 0 256.349 2.774 50 0 CFAARO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1Cl ZINC000195451115 382768360 /nfs/dbraw/zinc/76/83/60/382768360.db2.gz VPHYCYZOQVJNSP-YPMHNXCESA-N 1 0 253.773 2.899 50 0 CFAARO C[C@@H](c1ccccn1)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000195547965 382769555 /nfs/dbraw/zinc/76/95/55/382769555.db2.gz VNRSHCIVJBTVTG-BLLLJJGKSA-N 1 0 274.339 2.947 50 0 CFAARO CCC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1cccnc1 ZINC000195561608 382769816 /nfs/dbraw/zinc/76/98/16/382769816.db2.gz LBEWGCFZKGLFKO-HNNXBMFYSA-N 1 0 291.395 2.743 50 0 CFAARO COc1ccc(C[NH+]2CCC(c3ncncc3C)CC2)cn1 ZINC000215022711 382777489 /nfs/dbraw/zinc/77/74/89/382777489.db2.gz MTCKBBPPCZKQLA-UHFFFAOYSA-N 1 0 298.390 2.568 50 0 CFAARO COC[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000215500627 382778880 /nfs/dbraw/zinc/77/88/80/382778880.db2.gz FZBRHBPZCGXCEF-GFCCVEGCSA-N 1 0 276.355 2.786 50 0 CFAARO CS[C@H](C)CC[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000215470362 382779247 /nfs/dbraw/zinc/77/92/47/382779247.db2.gz UMMYNLQNSMSOKM-OAHLLOKOSA-N 1 0 293.480 2.731 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1coc2ccccc12 ZINC000215662920 382779731 /nfs/dbraw/zinc/77/97/31/382779731.db2.gz PIYIGCLXJVGERK-LBPRGKRZSA-N 1 0 272.348 2.647 50 0 CFAARO C[N@H+](Cc1ccc2nsnc2c1)CC1(C)CCOCC1 ZINC000215857464 382780785 /nfs/dbraw/zinc/78/07/85/382780785.db2.gz NGXSMIPAJFFKNY-UHFFFAOYSA-N 1 0 291.420 2.940 50 0 CFAARO C[N@H+](CCn1cccn1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000216163389 382781904 /nfs/dbraw/zinc/78/19/04/382781904.db2.gz OHBFUFBIWTUTTB-HNNXBMFYSA-N 1 0 289.379 2.850 50 0 CFAARO CS[C@@H](C)CC[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000216110837 382781929 /nfs/dbraw/zinc/78/19/29/382781929.db2.gz TWKNAEDZZKZSHV-LBPRGKRZSA-N 1 0 299.509 2.711 50 0 CFAARO COCC1CC[NH+](Cc2ccc(C)cc2OC)CC1 ZINC000216276756 382782743 /nfs/dbraw/zinc/78/27/43/382782743.db2.gz BNYQFZMBPRBPKC-UHFFFAOYSA-N 1 0 263.381 2.862 50 0 CFAARO Cc1c2cc(F)ccc2[nH]c1CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000216338225 382783101 /nfs/dbraw/zinc/78/31/01/382783101.db2.gz NQGSYTYMPGOFSL-YVEFUNNKSA-N 1 0 287.382 2.751 50 0 CFAARO C[N@H+](CCc1nc2cc(Cl)ccc2[nH]1)C[C@H]1CCOC1 ZINC000216309282 382783224 /nfs/dbraw/zinc/78/32/24/382783224.db2.gz RWAMNZWMNMGGQY-LLVKDONJSA-N 1 0 293.798 2.727 50 0 CFAARO COC[C@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000216454246 382783819 /nfs/dbraw/zinc/78/38/19/382783819.db2.gz QEMJGTUHOLEWFK-ZDUSSCGKSA-N 1 0 251.395 2.877 50 0 CFAARO CSc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000194377302 382742723 /nfs/dbraw/zinc/74/27/23/382742723.db2.gz CCWZZFNCHWTIDA-GXTWGEPZSA-N 1 0 290.432 2.575 50 0 CFAARO CC[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 ZINC000221716077 382799484 /nfs/dbraw/zinc/79/94/84/382799484.db2.gz JYYNKKXZFLITAG-IHRRRGAJSA-N 1 0 298.427 2.543 50 0 CFAARO O=C(c1ccc(F)c(Cl)c1)N1CC([NH+]2CCCCC2)C1 ZINC000222680526 382803414 /nfs/dbraw/zinc/80/34/14/382803414.db2.gz UTUMNKLRUFADCA-UHFFFAOYSA-N 1 0 296.773 2.789 50 0 CFAARO CC[C@@H]([NH2+]Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000225475385 382816852 /nfs/dbraw/zinc/81/68/52/382816852.db2.gz XFTWNZCWFWZDAM-GXSJLCMTSA-N 1 0 288.185 2.947 50 0 CFAARO COCCCNC(=O)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000225626459 382819260 /nfs/dbraw/zinc/81/92/60/382819260.db2.gz CWZJRRWJHNCTJE-OAHLLOKOSA-N 1 0 298.471 2.533 50 0 CFAARO c1ccc(CC[NH2+][C@@H]2CCCC23CCOCC3)nc1 ZINC000225635620 382819518 /nfs/dbraw/zinc/81/95/18/382819518.db2.gz PVGAXYZXIVGTND-OAHLLOKOSA-N 1 0 260.381 2.563 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000229405803 382851532 /nfs/dbraw/zinc/85/15/32/382851532.db2.gz MICYARTYKFLPHK-WMLDXEAASA-N 1 0 295.386 2.647 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)C1 ZINC000229405821 382851597 /nfs/dbraw/zinc/85/15/97/382851597.db2.gz MICYARTYKFLPHK-RHSMWYFYSA-N 1 0 295.386 2.647 50 0 CFAARO CC[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COC(C)C ZINC000230201139 382857577 /nfs/dbraw/zinc/85/75/77/382857577.db2.gz NBHFSBMZWIEKSW-OCCSQVGLSA-N 1 0 283.437 2.843 50 0 CFAARO C/C(=C/C(=O)N1CCC([NH3+])CC1)c1ccccc1Cl ZINC000236621552 382899486 /nfs/dbraw/zinc/89/94/86/382899486.db2.gz LIHOLVQWBMGEAU-KHPPLWFESA-N 1 0 278.783 2.693 50 0 CFAARO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237355898 382957224 /nfs/dbraw/zinc/95/72/24/382957224.db2.gz IUAIFQMJLHDHSC-IFIJOSMWSA-N 1 0 290.382 2.530 50 0 CFAARO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237393282 382958631 /nfs/dbraw/zinc/95/86/31/382958631.db2.gz JHDPNAAEIZHWGS-DTZQCDIJSA-N 1 0 272.392 2.518 50 0 CFAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1 ZINC000237472423 382962330 /nfs/dbraw/zinc/96/23/30/382962330.db2.gz IXHZXLJJEKJGTI-RISCZKNCSA-N 1 0 280.799 2.611 50 0 CFAARO CCCc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000236912877 382930676 /nfs/dbraw/zinc/93/06/76/382930676.db2.gz PVTUXYMOFXMUMZ-WFASDCNBSA-N 1 0 260.381 2.591 50 0 CFAARO CC(C)c1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)no1 ZINC000240900729 382982236 /nfs/dbraw/zinc/98/22/36/382982236.db2.gz ITLVVICPFBWVDI-UHFFFAOYSA-N 1 0 291.395 2.545 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccccc3)CC2)C1 ZINC000241720916 382984893 /nfs/dbraw/zinc/98/48/93/382984893.db2.gz QTIFAMBTKHANIK-YESZJQIVSA-N 1 0 286.419 2.910 50 0 CFAARO Cc1nc(CCN(C)C[C@@H]2CC[N@H+](C)C2(C)C)cs1 ZINC000244646879 382989101 /nfs/dbraw/zinc/98/91/01/382989101.db2.gz GQTSUHOVRRIUEJ-ZDUSSCGKSA-N 1 0 281.469 2.656 50 0 CFAARO CC[C@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(O)c1 ZINC000244874562 382994555 /nfs/dbraw/zinc/99/45/55/382994555.db2.gz XDEIPPIMCRCYRY-CQSZACIVSA-N 1 0 278.396 2.517 50 0 CFAARO CCc1nccn1CCN1CCc2c3ccccc3[nH]c2C1 ZINC000244899389 382994734 /nfs/dbraw/zinc/99/47/34/382994734.db2.gz ZIXSBICEWMIJDM-UHFFFAOYSA-N 1 0 294.402 2.985 50 0 CFAARO O=C(c1ccccn1)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000244866586 382994783 /nfs/dbraw/zinc/99/47/83/382994783.db2.gz VYPYKXXQIWFIHW-ZDUSSCGKSA-N 1 0 290.432 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DXNQDWWBTWMUBJ-LBPRGKRZSA-N 1 0 288.420 2.674 50 0 CFAARO CN1CCN(c2ccc(/C=C/C3CCCCC3)nn2)CC1 ZINC000426428767 383400216 /nfs/dbraw/zinc/40/02/16/383400216.db2.gz KKNQRIBIDHZKAE-BQYQJAHWSA-N 1 0 286.423 2.822 50 0 CFAARO COc1ccc(CC[C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC000426509185 383402497 /nfs/dbraw/zinc/40/24/97/383402497.db2.gz ADLANHYAURTMHM-NYCLONFESA-N 1 0 288.435 2.685 50 0 CFAARO COc1n[nH]c(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)n1 ZINC000426490060 383403324 /nfs/dbraw/zinc/40/33/24/383403324.db2.gz KPBKXVPVEAFBGL-LLVKDONJSA-N 1 0 272.352 2.637 50 0 CFAARO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@H]1C ZINC000252512894 383416773 /nfs/dbraw/zinc/41/67/73/383416773.db2.gz WNYJQJFTZIMPJP-MNOVXSKESA-N 1 0 296.802 2.681 50 0 CFAARO COCCOC1CC[NH+](CC2=CCCCC2)CC1 ZINC000450424635 383404299 /nfs/dbraw/zinc/40/42/99/383404299.db2.gz ZMLSKXQXDKGUIU-UHFFFAOYSA-N 1 0 253.386 2.614 50 0 CFAARO CC(C)C/C=C(\CN1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000426618083 383408298 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383412520 /nfs/dbraw/zinc/41/25/20/383412520.db2.gz IOPYGPXUGVEXDD-UHFFFAOYSA-N 1 0 278.421 2.681 50 0 CFAARO COCc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OC ZINC000252488702 383412847 /nfs/dbraw/zinc/41/28/47/383412847.db2.gz IXGGNCBBSGSFJQ-UHFFFAOYSA-N 1 0 291.391 2.597 50 0 CFAARO Cc1ccn(CC[N@H+](Cc2ccc3c(c2)OCO3)C2CC2)n1 ZINC000252489530 383413014 /nfs/dbraw/zinc/41/30/14/383413014.db2.gz JSSBIGXUXUQWAR-UHFFFAOYSA-N 1 0 299.374 2.585 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000249684610 383356019 /nfs/dbraw/zinc/35/60/19/383356019.db2.gz DTVAILRFEDWXBT-UONOGXRCSA-N 1 0 295.814 2.757 50 0 CFAARO CCN1CC[N@H+](CCSC(C)(C)C)C[C@H]1c1ncc[nH]1 ZINC000252497968 383414014 /nfs/dbraw/zinc/41/40/14/383414014.db2.gz QSOMFRBIPUENDK-ZDUSSCGKSA-N 1 0 296.484 2.620 50 0 CFAARO CC(C)SCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000252498143 383414050 /nfs/dbraw/zinc/41/40/50/383414050.db2.gz QVBCWWHZRHIJES-AWEZNQCLSA-N 1 0 253.411 2.625 50 0 CFAARO C[N@H+](CCC(C)(C)O)Cc1ccc2ncccc2c1 ZINC000252500796 383414418 /nfs/dbraw/zinc/41/44/18/383414418.db2.gz TVMNGXXFBOBEBX-UHFFFAOYSA-N 1 0 258.365 2.828 50 0 CFAARO C[N@H+](CCCc1ccco1)Cc1[nH]nc2c1CCC2 ZINC000252500805 383414483 /nfs/dbraw/zinc/41/44/83/383414483.db2.gz TVPPHCSBFXXGCX-UHFFFAOYSA-N 1 0 259.353 2.556 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2cccc(C(F)(F)F)c2)C1 ZINC000255394749 383481140 /nfs/dbraw/zinc/48/11/40/383481140.db2.gz MTOKPAQRZUODEP-RXNFCKPNSA-N 1 0 298.308 2.526 50 0 CFAARO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000252855095 383437582 /nfs/dbraw/zinc/43/75/82/383437582.db2.gz HHRFPLDVCCJJKB-KWCYVHTRSA-N 1 0 285.309 2.908 50 0 CFAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC[C@H]1CCCCO1 ZINC000253370080 383451784 /nfs/dbraw/zinc/45/17/84/383451784.db2.gz LSXAPBLFLRGLLG-JJXSEGSLSA-N 1 0 295.423 2.752 50 0 CFAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC[C@@H]1CCCCO1 ZINC000253370081 383452142 /nfs/dbraw/zinc/45/21/42/383452142.db2.gz LSXAPBLFLRGLLG-JONQDZQNSA-N 1 0 295.423 2.752 50 0 CFAARO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c(F)c1 ZINC000253369783 383452433 /nfs/dbraw/zinc/45/24/33/383452433.db2.gz IBOCODXXPZJIMU-SRVKXCTJSA-N 1 0 267.344 2.788 50 0 CFAARO CCc1nc(C)cc(NCc2cn3c(cccc3C)n2)n1 ZINC000253415414 383456242 /nfs/dbraw/zinc/45/62/42/383456242.db2.gz AMHSNVDKTLMLQR-UHFFFAOYSA-N 1 0 281.363 2.916 50 0 CFAARO O=C1CCCN1CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000253425528 383458259 /nfs/dbraw/zinc/45/82/59/383458259.db2.gz FLQYHCCYMNXOPI-SXSDINLZSA-N 1 0 284.403 2.787 50 0 CFAARO CC1=CCN(CC[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000253424036 383458593 /nfs/dbraw/zinc/45/85/93/383458593.db2.gz XVIMURXBYKMZCD-AWEZNQCLSA-N 1 0 260.381 2.695 50 0 CFAARO CC1=CCN(CC[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000253424040 383458892 /nfs/dbraw/zinc/45/88/92/383458892.db2.gz XVIMURXBYKMZCD-CQSZACIVSA-N 1 0 260.381 2.695 50 0 CFAARO CCc1nsc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000253431347 383460129 /nfs/dbraw/zinc/46/01/29/383460129.db2.gz ZRXBKFJISWOBID-WCQYABFASA-N 1 0 292.452 2.554 50 0 CFAARO C[C@H](C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C)c1ccc(F)cc1 ZINC000252536968 383417962 /nfs/dbraw/zinc/41/79/62/383417962.db2.gz JZVUKUSEOAQEGK-BZPMIXESSA-N 1 0 278.371 2.515 50 0 CFAARO Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000252536843 383417985 /nfs/dbraw/zinc/41/79/85/383417985.db2.gz JRAKQEOYQIUSKM-HOTGVXAUSA-N 1 0 295.386 2.674 50 0 CFAARO O=C1CC[N@H+](Cc2cccc(F)c2)CCCCCCN1 ZINC000257179444 383489818 /nfs/dbraw/zinc/48/98/18/383489818.db2.gz ISPAAYBLIHRMKR-UHFFFAOYSA-N 1 0 278.371 2.708 50 0 CFAARO Cn1cc(CC[N@@H+]2CCC[C@@H]2c2cccs2)cn1 ZINC000265447393 383920156 /nfs/dbraw/zinc/92/01/56/383920156.db2.gz SDVIJRGLWQAVJY-CYBMUJFWSA-N 1 0 261.394 2.861 50 0 CFAARO CC(C)CC[C@H]([NH3+])C(=O)Nc1cnc2ccccc2c1 ZINC000638061047 384388204 /nfs/dbraw/zinc/38/82/04/384388204.db2.gz XQOIBTFCPDZVRU-AWEZNQCLSA-N 1 0 271.364 2.937 50 0 CFAARO CCCOc1cncc(NC(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000638583949 384756839 /nfs/dbraw/zinc/75/68/39/384756839.db2.gz OUJGPNWGUSPGQB-OAHLLOKOSA-N 1 0 285.347 2.509 50 0 CFAARO C[N@H+](CCc1nc(-c2ccccc2)no1)CC1=CCCOC1 ZINC000289250083 197274343 /nfs/dbraw/zinc/27/43/43/197274343.db2.gz FCZZJMNCHFFFSF-UHFFFAOYSA-N 1 0 299.374 2.558 50 0 CFAARO C[N@H+](CCc1cccs1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000271901296 385397121 /nfs/dbraw/zinc/39/71/21/385397121.db2.gz GVFKIVFMTIHTFR-HOTGVXAUSA-N 1 0 273.401 2.881 50 0 CFAARO CCN1CC2(CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095370874 285183809 /nfs/dbraw/zinc/18/38/09/285183809.db2.gz WZPWQVABBPHHIX-INIZCTEOSA-N 1 0 286.419 2.734 50 0 CFAARO O=[N+]1C(c2cccs2)=CN(O)[C@H]2CCCC[C@H]21 ZINC000334157196 285191088 /nfs/dbraw/zinc/19/10/88/285191088.db2.gz ACNYLHNFRVIKIT-VHSXEESVSA-N 1 0 251.331 2.841 50 0 CFAARO O=[N+]1C(c2ccc3c(c2)OCO3)=CN(O)[C@H]2CCCC[C@@H]21 ZINC000334158885 285190937 /nfs/dbraw/zinc/19/09/37/285190937.db2.gz JRPNCWOLLUULFP-RYUDHWBXSA-N 1 0 289.311 2.509 50 0 CFAARO OC1(C(F)(F)F)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000097162270 285232197 /nfs/dbraw/zinc/23/21/97/285232197.db2.gz VWNRKAMXDKVIEA-NSHDSACASA-N 1 0 263.303 2.732 50 0 CFAARO COc1ccc([C@H](Cc2ccccc2)[C@H](C[NH3+])CO)cc1 ZINC000524734037 256785015 /nfs/dbraw/zinc/78/50/15/256785015.db2.gz QBOGGFBEPLHVAD-AEFFLSMTSA-N 1 0 285.387 2.589 50 0 CFAARO NC(=O)C[C@@H]1CCCC[N@@H+]1CCSc1ccccc1 ZINC000096410315 256767146 /nfs/dbraw/zinc/76/71/46/256767146.db2.gz FTEBATCMKOHTLQ-ZDUSSCGKSA-N 1 0 278.421 2.509 50 0 CFAARO [NH3+]C1CC(c2cc(N3CCCCCCCC3)ncn2)C1 ZINC000222988827 256892213 /nfs/dbraw/zinc/89/22/13/256892213.db2.gz DUMSQKYCFMCFFR-UHFFFAOYSA-N 1 0 274.412 2.842 50 0 CFAARO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCC1 ZINC000010434610 285358147 /nfs/dbraw/zinc/35/81/47/285358147.db2.gz AJPRSTUEGVYRIV-LESVLKBLSA-N 1 0 293.451 2.819 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)CCC2 ZINC000095422380 184976656 /nfs/dbraw/zinc/97/66/56/184976656.db2.gz AOHLEATVMUNFOS-WZRBSPASSA-N 1 0 280.437 2.976 50 0 CFAARO Cc1[nH]ccc1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000175876056 533646958 /nfs/dbraw/zinc/64/69/58/533646958.db2.gz VHIONLQCSOMSTN-MRXNPFEDSA-N 1 0 285.391 2.664 50 0 CFAARO Cc1nc(C[N@@H+]2CCCCC[C@@H]2CCO)cs1 ZINC000342033210 130249997 /nfs/dbraw/zinc/24/99/97/130249997.db2.gz NLXNGKGYSLLHRM-CYBMUJFWSA-N 1 0 254.399 2.579 50 0 CFAARO c1cc2ncnc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2s1 ZINC000071811119 285464387 /nfs/dbraw/zinc/46/43/87/285464387.db2.gz NZRNOGWRQWCADR-GFCCVEGCSA-N 1 0 288.420 2.756 50 0 CFAARO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000262652990 131247494 /nfs/dbraw/zinc/24/74/94/131247494.db2.gz XMGNJZUBFMIIDW-UEEZHKSASA-N 1 0 292.810 2.763 50 0 CFAARO COc1cc2c(cc1C[N@H+](C)C[C@H]1CCOC1)CCC2 ZINC000824616751 781995523 /nfs/dbraw/zinc/99/55/23/781995523.db2.gz YXIILFMGOQXAJF-CYBMUJFWSA-N 1 0 275.392 2.652 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470311 132175859 /nfs/dbraw/zinc/17/58/59/132175859.db2.gz IUVKFZVETVUELB-ZIAGYGMSSA-N 1 0 292.402 2.707 50 0 CFAARO C[C@@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)[N@@H+]1C ZINC000003875690 393455205 /nfs/dbraw/zinc/45/52/05/393455205.db2.gz QSAVEGSLJISCDF-BPLDGKMQSA-N 1 0 291.391 2.525 50 0 in-man CFAARO CCC(C)(C)OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000012420003 393472921 /nfs/dbraw/zinc/47/29/21/393472921.db2.gz VYRKPHWIIBNPNU-MGPQQGTHSA-N 1 0 257.418 2.530 50 0 CFAARO COc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489653 393474049 /nfs/dbraw/zinc/47/40/49/393474049.db2.gz DAGGEUHIWOTDNG-KCQAQPDRSA-N 1 0 292.423 2.522 50 0 CFAARO C/C=C/C=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036398066 393525632 /nfs/dbraw/zinc/52/56/32/393525632.db2.gz JIGWMEBXATXHDS-ZVXMMOQOSA-N 1 0 270.376 2.509 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCOc2ccccc21 ZINC000037074405 393528293 /nfs/dbraw/zinc/52/82/93/393528293.db2.gz YMEQCSLYSMUNPR-AWEZNQCLSA-N 1 0 257.337 2.640 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074404 393529475 /nfs/dbraw/zinc/52/94/75/393529475.db2.gz YMEQCSLYSMUNPR-CQSZACIVSA-N 1 0 257.337 2.640 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cccc3cccnc32)[C@H](C)CO1 ZINC000045785719 393573357 /nfs/dbraw/zinc/57/33/57/393573357.db2.gz KJJQPHAQWNARPC-CHWSQXEVSA-N 1 0 256.349 2.844 50 0 CFAARO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1Br ZINC000382445625 393572169 /nfs/dbraw/zinc/57/21/69/393572169.db2.gz JEUJJAIPUVSBPX-VHSXEESVSA-N 1 0 284.201 2.834 50 0 CFAARO Clc1cccc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000192780525 393632259 /nfs/dbraw/zinc/63/22/59/393632259.db2.gz WZNODSDMTAWBHB-UHFFFAOYSA-N 1 0 265.788 2.800 50 0 CFAARO FC(F)(F)c1ccc2[nH]c([C@H]3CC[NH2+]C3)nc2c1 ZINC000070633530 393639719 /nfs/dbraw/zinc/63/97/19/393639719.db2.gz KSJCWHAZRPOOBL-ZETCQYMHSA-N 1 0 255.243 2.659 50 0 biogenic,in-vitro CFAARO Cc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)s1 ZINC000084205556 393747328 /nfs/dbraw/zinc/74/73/28/393747328.db2.gz YGEFLFZURLWQLO-SWLSCSKDSA-N 1 0 291.420 2.657 50 0 CFAARO COC(=O)CC1([NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CCOCC1 ZINC000225515916 393768994 /nfs/dbraw/zinc/76/89/94/393768994.db2.gz LPHIVDCCDUGPHI-HUUCEWRRSA-N 1 0 295.423 2.681 50 0 CFAARO COc1cccc(NC(=O)NCC[NH+]2CCCC2)c1Cl ZINC000096150490 393815895 /nfs/dbraw/zinc/81/58/95/393815895.db2.gz OPECDMDWSRBQDC-UHFFFAOYSA-N 1 0 297.786 2.566 50 0 CFAARO CN(C(=O)/C=C\c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000096248553 393818259 /nfs/dbraw/zinc/81/82/59/393818259.db2.gz JQORNMBNVATKCX-YVMONPNESA-N 1 0 292.810 2.906 50 0 CFAARO COc1ccccc1/C=C\C[NH2+][C@@H](C)Cn1cccn1 ZINC000096257365 393818332 /nfs/dbraw/zinc/81/83/32/393818332.db2.gz ZUEGWKXQBMWOOI-PODYEWJSSA-N 1 0 271.364 2.583 50 0 CFAARO COc1ccccc1/C=C\C[NH2+][C@H](C)Cn1cccn1 ZINC000096257366 393818615 /nfs/dbraw/zinc/81/86/15/393818615.db2.gz ZUEGWKXQBMWOOI-BMWLXYDHSA-N 1 0 271.364 2.583 50 0 CFAARO Cc1ccc(CC[N@@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000096412964 393825155 /nfs/dbraw/zinc/82/51/55/393825155.db2.gz PTPRGERCKKQKJZ-KRWDZBQOSA-N 1 0 286.419 2.624 50 0 CFAARO c1ccc(O[C@H]2CC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000096424688 393829344 /nfs/dbraw/zinc/82/93/44/393829344.db2.gz VPROFXVMXMFZRW-INIZCTEOSA-N 1 0 254.333 2.735 50 0 CFAARO COC[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000096424234 393829686 /nfs/dbraw/zinc/82/96/86/393829686.db2.gz RNJRTBKRMXFGQN-MRXNPFEDSA-N 1 0 277.408 2.986 50 0 CFAARO C[NH+](C)C1(CNCc2c[nH]nc2C(C)(C)C)CCCC1 ZINC000097159430 393840308 /nfs/dbraw/zinc/84/03/08/393840308.db2.gz LDQYYFOIGHZXKL-UHFFFAOYSA-N 1 0 278.444 2.671 50 0 CFAARO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccccn2)[C@H]1C ZINC000252487294 393935610 /nfs/dbraw/zinc/93/56/10/393935610.db2.gz VGULFCFEMANQHA-AESZEHBQSA-N 1 0 276.424 2.647 50 0 CFAARO Cc1cc(C[NH2+]C2(Cc3ccccc3)CC2)nc(N(C)C)n1 ZINC000252509976 393936801 /nfs/dbraw/zinc/93/68/01/393936801.db2.gz YZKFZGPYXNPEDO-UHFFFAOYSA-N 1 0 296.418 2.716 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc(F)cn2)C1 ZINC000269470301 394004583 /nfs/dbraw/zinc/00/45/83/394004583.db2.gz IUVKFZVETVUELB-KBPBESRZSA-N 1 0 292.402 2.707 50 0 CFAARO C[C@@H]1CCC[C@@H](OC(=O)CN(C)[C@@H]2CCSC2)C1 ZINC000128959528 394079555 /nfs/dbraw/zinc/07/95/55/394079555.db2.gz LZQVCOLQHITPFC-JHJVBQTASA-N 1 0 271.426 2.546 50 0 CFAARO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000153411901 394283293 /nfs/dbraw/zinc/28/32/93/394283293.db2.gz COIKARZCTHFCFS-RBSFLKMASA-N 1 0 274.408 2.697 50 0 CFAARO CCc1sc(C(=O)NC2CC[NH+](CC)CC2)cc1C ZINC000170060324 394371142 /nfs/dbraw/zinc/37/11/42/394371142.db2.gz RCTMRDFLLUCUTC-UHFFFAOYSA-N 1 0 280.437 2.833 50 0 CFAARO C[C@H](CCO)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000170064035 394371295 /nfs/dbraw/zinc/37/12/95/394371295.db2.gz IMYYSPWFYCDOOR-ABAIWWIYSA-N 1 0 251.345 2.811 50 0 CFAARO FCC[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000521396482 394381041 /nfs/dbraw/zinc/38/10/41/394381041.db2.gz AZTVXWZHMIJCFZ-UHFFFAOYSA-N 1 0 261.344 2.787 50 0 CFAARO Cc1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)c(C)n1 ZINC000067688628 292030217 /nfs/dbraw/zinc/03/02/17/292030217.db2.gz AYTIWFUHDDSVPZ-ZDUSSCGKSA-N 1 0 254.333 2.628 50 0 CFAARO Cc1ccc(CC(=O)N2CCC[C@H]2C2CC[NH2+]CC2)cc1 ZINC000037916131 543032464 /nfs/dbraw/zinc/03/24/64/543032464.db2.gz HRBLMIUHEAKONC-KRWDZBQOSA-N 1 0 286.419 2.528 50 0 CFAARO O=C(C1CCC1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000041363995 543056565 /nfs/dbraw/zinc/05/65/65/543056565.db2.gz XICIFXNPISQNIO-UHFFFAOYSA-N 1 0 278.421 2.583 50 0 CFAARO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000044857389 397570013 /nfs/dbraw/zinc/57/00/13/397570013.db2.gz NZYOCLQFDHWBTQ-OAHLLOKOSA-N 1 0 287.403 2.817 50 0 CFAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000000757338 397535334 /nfs/dbraw/zinc/53/53/34/397535334.db2.gz OKHWEZROQORQCH-OAHLLOKOSA-N 1 0 260.381 2.507 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1cnn(C)c1)N(C)C)CC2 ZINC000095422647 397591851 /nfs/dbraw/zinc/59/18/51/397591851.db2.gz LZRHHLIRALFAPR-ROUUACIJSA-N 1 0 298.434 2.608 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]C/C=C\c2ccccc2)c1 ZINC000104062110 397595702 /nfs/dbraw/zinc/59/57/02/397595702.db2.gz OOAQVSQVWCCICJ-WUKHSURWSA-N 1 0 255.365 2.883 50 0 CFAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+][C@H](C)c1ccccc1OC ZINC000108324525 397598065 /nfs/dbraw/zinc/59/80/65/397598065.db2.gz NIHUEJFMZJBJOK-DAXOMENPSA-N 1 0 295.448 2.992 50 0 CFAARO CC(C)CNC(=O)C1([NH2+]Cc2ccc(O)cc2)CCCC1 ZINC000195575985 397611990 /nfs/dbraw/zinc/61/19/90/397611990.db2.gz CFWGSQFSHMTIJV-UHFFFAOYSA-N 1 0 290.407 2.567 50 0 CFAARO Cc1cc2c(cc1C[N@H+]1CC=C(C)CC1)OCCO2 ZINC000215146544 397619061 /nfs/dbraw/zinc/61/90/61/397619061.db2.gz PYVWRBXSNXYAFK-UHFFFAOYSA-N 1 0 259.349 2.918 50 0 CFAARO Cc1cnn(C)c1C[N@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000216385380 397620258 /nfs/dbraw/zinc/62/02/58/397620258.db2.gz ISJWQRLCOYYINN-HNNXBMFYSA-N 1 0 277.412 2.510 50 0 CFAARO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000357780040 155534092 /nfs/dbraw/zinc/53/40/92/155534092.db2.gz OEJQTBMQUNJAOO-GHMZBOCLSA-N 1 0 273.302 2.995 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C(C)C ZINC000101824271 292355177 /nfs/dbraw/zinc/35/51/77/292355177.db2.gz LSKOBBMGJQZPPY-GOEBONIOSA-N 1 0 272.392 2.785 50 0 CFAARO Cn1cncc1C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000376001461 157313532 /nfs/dbraw/zinc/31/35/32/157313532.db2.gz USUYWEJRAMJOMI-KEYYUXOJSA-N 1 0 289.423 2.590 50 0 CFAARO CC[C@H](c1nc(-c2ccc(C(=O)OC)cc2)no1)[NH+](C)C ZINC000351565467 163147705 /nfs/dbraw/zinc/14/77/05/163147705.db2.gz BFZAZKIYZOQJBA-GFCCVEGCSA-N 1 0 289.335 2.536 50 0 CFAARO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccsc1 ZINC000090178686 287065423 /nfs/dbraw/zinc/06/54/23/287065423.db2.gz HAROZMHDKMLGBO-PWSUYJOCSA-N 1 0 266.410 2.798 50 0 CFAARO C[NH+](C)CCCNC(=S)Nc1ccccc1Cl ZINC000002354129 169787389 /nfs/dbraw/zinc/78/73/89/169787389.db2.gz BVZLQYOPDSKJKR-UHFFFAOYSA-N 1 0 271.817 2.578 50 0 CFAARO C[C@H](O)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000002880812 169840880 /nfs/dbraw/zinc/84/08/80/169840880.db2.gz WGROJIRSFGNJDF-AWEZNQCLSA-N 1 0 271.360 2.703 50 0 CFAARO CCOC(=O)CCCC[NH2+]Cc1ccc(F)cc1 ZINC000003028170 169850196 /nfs/dbraw/zinc/85/01/96/169850196.db2.gz GQQYDCDMISDADP-UHFFFAOYSA-N 1 0 253.317 2.649 50 0 CFAARO CC(C)Oc1ccccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000003315114 169878373 /nfs/dbraw/zinc/87/83/73/169878373.db2.gz ILQNOGAVCPZUKC-AWEZNQCLSA-N 1 0 279.380 2.621 50 0 CFAARO C[NH+](C)CCNC(=O)c1ccccc1-c1ccccc1 ZINC000004272399 169951293 /nfs/dbraw/zinc/95/12/93/169951293.db2.gz BJQCXMDGBVLZMH-UHFFFAOYSA-N 1 0 268.360 2.645 50 0 CFAARO C[C@@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(F)cc1 ZINC000004806332 170019817 /nfs/dbraw/zinc/01/98/17/170019817.db2.gz UVFBAXLYDGCZTG-WFASDCNBSA-N 1 0 267.344 2.609 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000004867323 170033226 /nfs/dbraw/zinc/03/32/26/170033226.db2.gz NPFMVLLMEBJEBL-HRCADAONSA-N 1 0 277.408 2.998 50 0 CFAARO OC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000004948209 170044452 /nfs/dbraw/zinc/04/44/52/170044452.db2.gz CTBXWKGZTPQJPA-GFCCVEGCSA-N 1 0 273.298 2.910 50 0 CFAARO CCC[NH+]1CCC(NCc2ccc(OC)cc2)CC1 ZINC000004989206 170050037 /nfs/dbraw/zinc/05/00/37/170050037.db2.gz UCGKCIFISPMLPP-UHFFFAOYSA-N 1 0 262.397 2.659 50 0 CFAARO C[N@H+](C[C@@H](O)COc1ccccc1F)C1CCCCC1 ZINC000004993546 170051725 /nfs/dbraw/zinc/05/17/25/170051725.db2.gz WNNCLIQBKNSDEV-CQSZACIVSA-N 1 0 281.371 2.830 50 0 CFAARO COc1ccccc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000005023136 170057035 /nfs/dbraw/zinc/05/70/35/170057035.db2.gz PRYXNGBQVZSKSY-UHFFFAOYSA-N 1 0 276.380 2.756 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000005524239 170108074 /nfs/dbraw/zinc/10/80/74/170108074.db2.gz AXBWTBDQEIFRII-LZWOXQAQSA-N 1 0 295.398 2.966 50 0 CFAARO COc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000005938825 170159173 /nfs/dbraw/zinc/15/91/73/170159173.db2.gz ZKFHPFWCYVHWIS-UHFFFAOYSA-N 1 0 262.353 2.510 50 0 CFAARO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCCC[C@H]1C ZINC000006055944 170172545 /nfs/dbraw/zinc/17/25/45/170172545.db2.gz GCHIHZIMIPPUGG-HZPDHXFCSA-N 1 0 277.408 2.918 50 0 CFAARO COc1ccc(OCCSC2=[NH+]CC(C)(C)CN2)cc1 ZINC000006086267 170174762 /nfs/dbraw/zinc/17/47/62/170174762.db2.gz QOURNZNEHLCNTK-UHFFFAOYSA-N 1 0 294.420 2.793 50 0 CFAARO C[NH+](C)C[C@@H]1CCCC[C@@]1(O)c1cccc(Cl)n1 ZINC000006169227 170180138 /nfs/dbraw/zinc/18/01/38/170180138.db2.gz ZPJVABJQJKDWFQ-FZMZJTMJSA-N 1 0 268.788 2.674 50 0 CFAARO C[NH+](C)CCCNc1ncnc2c3ccccc3oc21 ZINC000006588760 170216678 /nfs/dbraw/zinc/21/66/78/170216678.db2.gz IFVNLFNQJPXKPC-UHFFFAOYSA-N 1 0 270.336 2.740 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC000006725368 170232555 /nfs/dbraw/zinc/23/25/55/170232555.db2.gz HWXSGYJPSJDCBK-UHFFFAOYSA-N 1 0 274.408 2.528 50 0 CFAARO CCCC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000007261648 170273751 /nfs/dbraw/zinc/27/37/51/170273751.db2.gz IJBRWNDWCUZLPZ-UHFFFAOYSA-N 1 0 253.342 2.602 50 0 CFAARO C[C@@H](C(=O)Nc1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386037 170281904 /nfs/dbraw/zinc/28/19/04/170281904.db2.gz ZTFTWPABVCSKJG-MJBXVCDLSA-N 1 0 260.381 2.992 50 0 CFAARO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000007486604 170287148 /nfs/dbraw/zinc/28/71/48/170287148.db2.gz QVXUWTYGUGJYIC-GFCCVEGCSA-N 1 0 292.379 2.517 50 0 CFAARO COc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000007652329 170295646 /nfs/dbraw/zinc/29/56/46/170295646.db2.gz RQVJYFUWEAESGO-HNNXBMFYSA-N 1 0 285.343 2.625 50 0 CFAARO CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000008325918 170331256 /nfs/dbraw/zinc/33/12/56/170331256.db2.gz SMTIIKMPMBLXQZ-SNVBAGLBSA-N 1 0 253.342 2.601 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1 ZINC000008342623 170332355 /nfs/dbraw/zinc/33/23/55/170332355.db2.gz LULGZIAYVGAVAD-ZDUSSCGKSA-N 1 0 281.787 2.946 50 0 CFAARO C[NH2+]CCCNCc1ccc(-c2ccc(F)cc2)o1 ZINC000008377152 170333967 /nfs/dbraw/zinc/33/39/67/170333967.db2.gz VEBFPBXIDXHABQ-UHFFFAOYSA-N 1 0 262.328 2.785 50 0 CFAARO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000008707409 170348317 /nfs/dbraw/zinc/34/83/17/170348317.db2.gz JTYNGIKEMPBYJL-UHFFFAOYSA-N 1 0 295.386 2.932 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000009501220 170379311 /nfs/dbraw/zinc/37/93/11/170379311.db2.gz FKFNUCVVFCTPCB-UHFFFAOYSA-N 1 0 279.359 2.820 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1)c1ccccc1 ZINC000010017742 170395225 /nfs/dbraw/zinc/39/52/25/170395225.db2.gz VGTKDXDQURPQEL-INIZCTEOSA-N 1 0 286.350 2.858 50 0 CFAARO C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000012973833 170523702 /nfs/dbraw/zinc/52/37/02/170523702.db2.gz CUNANKWONJPLCB-MRVPVSSYSA-N 1 0 260.259 2.594 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccncc1 ZINC000020124381 171006190 /nfs/dbraw/zinc/00/61/90/171006190.db2.gz LJBIYGQUZRGZLY-LLVKDONJSA-N 1 0 256.305 2.661 50 0 CFAARO COCCC[NH2+]Cc1ccccc1Br ZINC000020142787 171028206 /nfs/dbraw/zinc/02/82/06/171028206.db2.gz HSPOYECYPVDITM-UHFFFAOYSA-N 1 0 258.159 2.575 50 0 CFAARO c1ccc2cc(OCCCCN3CC[NH2+]CC3)ccc2c1 ZINC000020272699 171127262 /nfs/dbraw/zinc/12/72/62/171127262.db2.gz XDFIXKPTFXWCKT-UHFFFAOYSA-N 1 0 284.403 2.904 50 0 CFAARO CCCOc1cc2c(cc1OCCC)CC[NH2+]CC2 ZINC000020286415 171133244 /nfs/dbraw/zinc/13/32/44/171133244.db2.gz KPSRGYKBPGQDHG-UHFFFAOYSA-N 1 0 263.381 2.952 50 0 CFAARO CC(C)(C)c1cn(C2CC[NH+]([C@@H]3CCSC3)CC2)nn1 ZINC000020451496 171207603 /nfs/dbraw/zinc/20/76/03/171207603.db2.gz FSFGBRURAVAAST-CYBMUJFWSA-N 1 0 294.468 2.718 50 0 CFAARO COc1cccc([C@@H]([NH3+])c2cc(F)ccc2OC)c1 ZINC000020470513 171212198 /nfs/dbraw/zinc/21/21/98/171212198.db2.gz NNHAEUSIHKMPTF-OAHLLOKOSA-N 1 0 261.296 2.891 50 0 CFAARO O=C(NCc1ccoc1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020501010 171227343 /nfs/dbraw/zinc/22/73/43/171227343.db2.gz LTFZSDYRQDBZSP-NSHDSACASA-N 1 0 276.361 2.696 50 0 CFAARO CCc1ccc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)cc1 ZINC000020534116 171240541 /nfs/dbraw/zinc/24/05/41/171240541.db2.gz LGMHSZBOUWEOPO-SFHVURJKSA-N 1 0 290.451 2.526 50 0 CFAARO O=C(C[C@@H]1C=CCC1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000020637244 171268441 /nfs/dbraw/zinc/26/84/41/171268441.db2.gz YWQXUGMZUWLQIH-HZPDHXFCSA-N 1 0 276.424 2.677 50 0 CFAARO CC[C@H](C)Oc1cccc(OCCCN2CCOCC2)c1 ZINC000020652662 171268710 /nfs/dbraw/zinc/26/87/10/171268710.db2.gz JROVYETUTVLBOS-HNNXBMFYSA-N 1 0 293.407 2.965 50 0 CFAARO CC(C)Oc1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020652552 171269138 /nfs/dbraw/zinc/26/91/38/171269138.db2.gz XMYVFSCCOWFUCW-HUUCEWRRSA-N 1 0 293.407 2.962 50 0 CFAARO c1ccc(SCCCCN2CCOCC2)cc1 ZINC000020639645 171269222 /nfs/dbraw/zinc/26/92/22/171269222.db2.gz WGORBRVUSBDQKW-UHFFFAOYSA-N 1 0 251.395 2.891 50 0 CFAARO C[NH+](C)CCCNc1ccc(-c2ccc(F)cc2)nn1 ZINC000020739207 171271339 /nfs/dbraw/zinc/27/13/39/171271339.db2.gz WNLJHXSHZZSLMK-UHFFFAOYSA-N 1 0 274.343 2.646 50 0 CFAARO CCC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933733 171280813 /nfs/dbraw/zinc/28/08/13/171280813.db2.gz XKXBYHAKSDNLNC-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO C[NH2+]CCCNCc1cc(Cl)c(OC)c(Cl)c1 ZINC000020967734 171282293 /nfs/dbraw/zinc/28/22/93/171282293.db2.gz XLPYRENOOUJECC-UHFFFAOYSA-N 1 0 277.195 2.701 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2)c(OC)c1 ZINC000022076148 171352345 /nfs/dbraw/zinc/35/23/45/171352345.db2.gz DBQDYBNGDKGIIW-INIZCTEOSA-N 1 0 287.359 2.527 50 0 CFAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1c(F)cccc1F ZINC000022078393 171352710 /nfs/dbraw/zinc/35/27/10/171352710.db2.gz UNZAXWODHKWUBV-NHYWBVRUSA-N 1 0 266.335 2.633 50 0 CFAARO CC(C)[NH+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000022203574 171372514 /nfs/dbraw/zinc/37/25/14/171372514.db2.gz FGTFGAKZNUNYAX-CQSZACIVSA-N 1 0 251.370 2.545 50 0 CFAARO CC(C)Oc1cccc(OCCCC[NH+]2CCOCC2)c1 ZINC000022385635 171385989 /nfs/dbraw/zinc/38/59/89/171385989.db2.gz DASBIWLQRKMONR-UHFFFAOYSA-N 1 0 293.407 2.965 50 0 CFAARO Cc1noc(C(C)C)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000022623476 171394660 /nfs/dbraw/zinc/39/46/60/171394660.db2.gz DVYAYLRDYBAXDU-UHFFFAOYSA-N 1 0 295.427 2.955 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H](C)C1 ZINC000022779605 171398601 /nfs/dbraw/zinc/39/86/01/171398601.db2.gz DJQARZCZCLCJFV-XJKSGUPXSA-N 1 0 261.365 2.949 50 0 CFAARO Cc1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)no1 ZINC000025061903 171448359 /nfs/dbraw/zinc/44/83/59/171448359.db2.gz YJQHFGXCGSPFJA-UHFFFAOYSA-N 1 0 265.357 2.576 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000032119657 171711013 /nfs/dbraw/zinc/71/10/13/171711013.db2.gz PLOMLGYSFVSGPV-VXGBXAGGSA-N 1 0 271.788 2.776 50 0 CFAARO COc1cc(C[NH2+]C2CCC(O)CC2)cc(Cl)c1OC ZINC000034991248 171917279 /nfs/dbraw/zinc/91/72/79/171917279.db2.gz JJXVOGYTZSPCMB-UHFFFAOYSA-N 1 0 299.798 2.750 50 0 CFAARO COc1cccc2cc(C[NH2+]CCCn3ccnc3)oc21 ZINC000034994706 171923180 /nfs/dbraw/zinc/92/31/80/171923180.db2.gz VNODVPWVZOOZQJ-UHFFFAOYSA-N 1 0 285.347 2.818 50 0 CFAARO CC(C)C[C@@H]([NH2+]CC(=O)NC(C)C)c1ccccc1 ZINC000035148340 172010264 /nfs/dbraw/zinc/01/02/64/172010264.db2.gz MQSVXHPXCCUZHZ-OAHLLOKOSA-N 1 0 262.397 2.888 50 0 CFAARO COc1ccc(Cl)cc1CNC1CC[NH+](C)CC1 ZINC000035180218 172033381 /nfs/dbraw/zinc/03/33/81/172033381.db2.gz KXUAERRANVGPSS-UHFFFAOYSA-N 1 0 268.788 2.532 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc2c(c1)OCO2 ZINC000035686562 172354129 /nfs/dbraw/zinc/35/41/29/172354129.db2.gz XKFKRJTVXUWDTN-AWEZNQCLSA-N 1 0 290.407 2.769 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037213894 173034429 /nfs/dbraw/zinc/03/44/29/173034429.db2.gz XAXNXLBSMDJJLK-AWEZNQCLSA-N 1 0 288.395 2.552 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000037249239 173061313 /nfs/dbraw/zinc/06/13/13/173061313.db2.gz JFRVRVKUPBJIDG-UHFFFAOYSA-N 1 0 273.380 2.850 50 0 CFAARO c1csc(-c2n[nH]cc2C[NH2+]CCc2cccnc2)c1 ZINC000037502693 173238923 /nfs/dbraw/zinc/23/89/23/173238923.db2.gz KXKKJKQFMNOTKL-UHFFFAOYSA-N 1 0 284.388 2.866 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2cccnc2)o1 ZINC000037718185 173636734 /nfs/dbraw/zinc/63/67/34/173636734.db2.gz DECUOYCPRWABRH-UHFFFAOYSA-N 1 0 282.347 2.705 50 0 CFAARO C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075797 174086637 /nfs/dbraw/zinc/08/66/37/174086637.db2.gz JJQIZIBDEXGCLD-NSHDSACASA-N 1 0 296.361 2.874 50 0 CFAARO COc1ccc(CNC(=[NH2+])NCc2ccccc2)cc1 ZINC000038352094 174141047 /nfs/dbraw/zinc/14/10/47/174141047.db2.gz HACPBSUJEICYKH-UHFFFAOYSA-N 1 0 269.348 2.509 50 0 CFAARO c1ccc2c(c1)snc2O[C@H]1C[NH+]2CCC1CC2 ZINC000038600400 174149389 /nfs/dbraw/zinc/14/93/89/174149389.db2.gz FHBQJQOZXLTNAR-LBPRGKRZSA-N 1 0 260.362 2.769 50 0 CFAARO c1ccc2c(c1)snc2O[C@@H]1C[NH+]2CCC1CC2 ZINC000038600398 174149544 /nfs/dbraw/zinc/14/95/44/174149544.db2.gz FHBQJQOZXLTNAR-GFCCVEGCSA-N 1 0 260.362 2.769 50 0 CFAARO NCC[NH2+]CCCCOc1ccc(Cl)c(Cl)c1 ZINC000039960848 174179921 /nfs/dbraw/zinc/17/99/21/174179921.db2.gz OLIUFUMNRIMKNU-UHFFFAOYSA-N 1 0 277.195 2.701 50 0 CFAARO Cc1cc(C(=O)NCCC[NH+]2CCCC2)sc1C ZINC000040039584 174184558 /nfs/dbraw/zinc/18/45/58/174184558.db2.gz HMTZEJATOUZIEO-UHFFFAOYSA-N 1 0 266.410 2.581 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2cc(F)ccc2F)C1 ZINC000040107585 174192296 /nfs/dbraw/zinc/19/22/96/174192296.db2.gz LQAYDMMFIIEPIX-RYUDHWBXSA-N 1 0 296.361 2.673 50 0 CFAARO C[C@@H]1CCC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000040161801 174196207 /nfs/dbraw/zinc/19/62/07/174196207.db2.gz JOHLZMVBAGHRSW-CQSZACIVSA-N 1 0 264.413 2.725 50 0 CFAARO O[C@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040444276 174264321 /nfs/dbraw/zinc/26/43/21/174264321.db2.gz ZENRVYWDMJQWJZ-GOSISDBHSA-N 1 0 288.435 2.670 50 0 CFAARO CCN1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000040502916 174299347 /nfs/dbraw/zinc/29/93/47/174299347.db2.gz IRKXPDFASGFWOU-CQSZACIVSA-N 1 0 288.395 2.552 50 0 CFAARO CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000040513775 174306122 /nfs/dbraw/zinc/30/61/22/174306122.db2.gz FKABVJJQFCLMFT-LLVKDONJSA-N 1 0 261.325 2.952 50 0 CFAARO NC(=O)Nc1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000040520628 174309630 /nfs/dbraw/zinc/30/96/30/174309630.db2.gz KKVVBVIYEACPNN-UHFFFAOYSA-N 1 0 273.311 2.606 50 0 CFAARO CSc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000040526827 174314624 /nfs/dbraw/zinc/31/46/24/174314624.db2.gz NTEIKOBPNZUKIP-UHFFFAOYSA-N 1 0 279.409 2.624 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000040594893 174348245 /nfs/dbraw/zinc/34/82/45/174348245.db2.gz OSRMXINWMQJVJA-MRZGDXHCSA-N 1 0 292.810 2.811 50 0 CFAARO COc1c(Cl)cc(C[NH2+]CCCCO)cc1Cl ZINC000040744207 174391542 /nfs/dbraw/zinc/39/15/42/174391542.db2.gz GKDLEXDGYSHDGO-UHFFFAOYSA-N 1 0 278.179 2.864 50 0 CFAARO Cc1ccoc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000043506315 175059544 /nfs/dbraw/zinc/05/95/44/175059544.db2.gz MDURLIQCNJIDHO-UHFFFAOYSA-N 1 0 264.369 2.533 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000044136296 175146032 /nfs/dbraw/zinc/14/60/32/175146032.db2.gz KTKQDEYFBRXGAI-ZIAGYGMSSA-N 1 0 276.380 2.738 50 0 CFAARO C[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2F)CC1 ZINC000044526413 175191453 /nfs/dbraw/zinc/19/14/53/175191453.db2.gz PQDSHLFUGXMIDQ-UHFFFAOYSA-N 1 0 284.762 2.551 50 0 CFAARO CCN(CC)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045027269 175293390 /nfs/dbraw/zinc/29/33/90/175293390.db2.gz XKMVXWIVRWEPAN-UHFFFAOYSA-N 1 0 289.423 2.702 50 0 CFAARO OCC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000046091423 175392977 /nfs/dbraw/zinc/39/29/77/175392977.db2.gz XFBXQXNXZLYAME-UHFFFAOYSA-N 1 0 273.298 2.910 50 0 CFAARO [NH3+][C@H](CC(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000050912454 175519662 /nfs/dbraw/zinc/51/96/62/175519662.db2.gz RXQCSMPITQKUJN-MRXNPFEDSA-N 1 0 266.344 2.619 50 0 CFAARO CCc1noc([C@H](C)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000052005176 175530678 /nfs/dbraw/zinc/53/06/78/175530678.db2.gz JSMGQCJARAVZJK-ZDUSSCGKSA-N 1 0 292.427 2.643 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@]23c2ccccc2NC3=O)c1 ZINC000062001347 175660131 /nfs/dbraw/zinc/66/01/31/175660131.db2.gz FZBOBMBMYJZHKX-WMZOPIPTSA-N 1 0 294.354 2.620 50 0 CFAARO COc1ccc([C@@H](O)C[NH2+][C@H](C)Cc2ccccc2)cc1 ZINC000062186439 175666027 /nfs/dbraw/zinc/66/60/27/175666027.db2.gz ZZFSETOETUSBIT-KDOFPFPSSA-N 1 0 285.387 2.949 50 0 CFAARO Cc1cc2ccccc2n1CC[NH2+][C@@H](C)Cn1cccn1 ZINC000067886631 175799702 /nfs/dbraw/zinc/79/97/02/175799702.db2.gz CZSWZXAWNALSNC-AWEZNQCLSA-N 1 0 282.391 2.825 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1Cn1cc(CCc2ccccc2)nn1 ZINC000067919789 175801508 /nfs/dbraw/zinc/80/15/08/175801508.db2.gz DXOVUZJHQHUTTQ-QGZVFWFLSA-N 1 0 284.407 2.548 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]CC2=Cc3ccccc3OC2)c1 ZINC000069560272 175838921 /nfs/dbraw/zinc/83/89/21/175838921.db2.gz KYIFALPDJYUQFC-CQSZACIVSA-N 1 0 283.375 2.646 50 0 CFAARO CC(C)([NH3+])C(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071497985 176192010 /nfs/dbraw/zinc/19/20/10/176192010.db2.gz ZKWJMUIPIPCMFQ-CQSZACIVSA-N 1 0 292.398 2.734 50 0 CFAARO C[NH+](C)CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071745538 176258075 /nfs/dbraw/zinc/25/80/75/176258075.db2.gz ANFWZRLTFJLDIU-HNNXBMFYSA-N 1 0 292.398 2.559 50 0 CFAARO CCc1nccc(C[N@@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)n1 ZINC000071759940 176261439 /nfs/dbraw/zinc/26/14/39/176261439.db2.gz FCXWMKHXSQYEDW-ZVCZJPQMSA-N 1 0 271.408 2.907 50 0 CFAARO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cn1 ZINC000071797103 176265013 /nfs/dbraw/zinc/26/50/13/176265013.db2.gz TVQRFENVPQQYIJ-HNNXBMFYSA-N 1 0 299.374 2.528 50 0 CFAARO O[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000071804912 176267060 /nfs/dbraw/zinc/26/70/60/176267060.db2.gz LUADSEZKTGIBCY-CQSZACIVSA-N 1 0 276.767 2.845 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000071819510 176270296 /nfs/dbraw/zinc/27/02/96/176270296.db2.gz KQDGDOUTECGUOS-AWEZNQCLSA-N 1 0 290.436 2.706 50 0 CFAARO Cc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)s1 ZINC000071870419 176282996 /nfs/dbraw/zinc/28/29/96/176282996.db2.gz JLAMTFAVYZQOQM-LSDHHAIUSA-N 1 0 292.448 2.684 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000071876087 176285631 /nfs/dbraw/zinc/28/56/31/176285631.db2.gz RADVWJXBRVDMMO-MRXNPFEDSA-N 1 0 270.380 2.560 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000071880462 176287760 /nfs/dbraw/zinc/28/77/60/176287760.db2.gz MVOGMYJZMQVPMI-CVEARBPZSA-N 1 0 292.448 2.766 50 0 CFAARO CC[C@@H](O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000071910894 176297620 /nfs/dbraw/zinc/29/76/20/176297620.db2.gz HFFRCPGMPGSXHK-KGLIPLIRSA-N 1 0 251.395 2.547 50 0 CFAARO CC(C)[NH2+][C@H](C(=O)N1CCc2sccc2C1)C(C)C ZINC000071921248 176300377 /nfs/dbraw/zinc/30/03/77/176300377.db2.gz UYYGUWRIOYILLE-AWEZNQCLSA-N 1 0 280.437 2.655 50 0 CFAARO CN(Cc1ccco1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072132118 176321478 /nfs/dbraw/zinc/32/14/78/176321478.db2.gz NDZCVZCBBIGJFF-GOEBONIOSA-N 1 0 262.397 2.976 50 0 CFAARO Cc1ncc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)s1 ZINC000072273108 176355169 /nfs/dbraw/zinc/35/51/69/176355169.db2.gz XPIIWCUOKANCGI-LLVKDONJSA-N 1 0 262.382 2.554 50 0 CFAARO C[C@@H]1c2cccn2CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000072280671 176358291 /nfs/dbraw/zinc/35/82/91/176358291.db2.gz MQCHZCDMMXFJQE-CQSZACIVSA-N 1 0 297.402 2.767 50 0 CFAARO C[C@H]1c2cccn2CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000072280672 176358469 /nfs/dbraw/zinc/35/84/69/176358469.db2.gz MQCHZCDMMXFJQE-AWEZNQCLSA-N 1 0 297.402 2.767 50 0 CFAARO COc1cc(C[N@@H+]2CCC[C@H](CO)C2)ccc1SC ZINC000072292577 176362562 /nfs/dbraw/zinc/36/25/62/176362562.db2.gz VLKCJYCPBONUFI-ZDUSSCGKSA-N 1 0 281.421 2.621 50 0 CFAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000072304811 176366008 /nfs/dbraw/zinc/36/60/08/176366008.db2.gz SKNUOZRFSRYRBX-AWEZNQCLSA-N 1 0 275.396 2.801 50 0 CFAARO c1cnc(Nc2cc(CC[C@@H]3CCC[NH2+]C3)ccn2)cn1 ZINC000072343491 176372205 /nfs/dbraw/zinc/37/22/05/176372205.db2.gz WOQMLQCYYBNFOU-AWEZNQCLSA-N 1 0 283.379 2.547 50 0 CFAARO c1cnc(Nc2cc(CCC3CC[NH2+]CC3)ccn2)cn1 ZINC000072355040 176374730 /nfs/dbraw/zinc/37/47/30/176374730.db2.gz KKVKTRMYYGYAOB-UHFFFAOYSA-N 1 0 283.379 2.547 50 0 CFAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000072412013 176398996 /nfs/dbraw/zinc/39/89/96/176398996.db2.gz SSRVLMIVISKIII-KRWDZBQOSA-N 1 0 291.435 2.737 50 0 CFAARO Cc1cc2nc(C)cc(NC[C@H](c3ccco3)[NH+](C)C)n2n1 ZINC000072468466 176406556 /nfs/dbraw/zinc/40/65/56/176406556.db2.gz CRFBABVJDHUWBO-CYBMUJFWSA-N 1 0 299.378 2.654 50 0 CFAARO C[C@@H]1CO[C@@H](c2ccccc2)CN1CC[NH+]1CCCCC1 ZINC000077173850 177229995 /nfs/dbraw/zinc/22/99/95/177229995.db2.gz PMUDTBRTNUCTGW-SJLPKXTDSA-N 1 0 288.435 2.934 50 0 CFAARO c1cc(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)cs1 ZINC000077319726 177251610 /nfs/dbraw/zinc/25/16/10/177251610.db2.gz OFRSLNMWKUAHLF-INIZCTEOSA-N 1 0 294.464 2.825 50 0 CFAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1nc(C)cc(C)n1 ZINC000077405998 177263767 /nfs/dbraw/zinc/26/37/67/177263767.db2.gz JSDRQYLYCJDNMU-HNNXBMFYSA-N 1 0 277.412 2.875 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[N@@H+](C[C@H](C)O)C(C)C ZINC000078551501 177353246 /nfs/dbraw/zinc/35/32/46/177353246.db2.gz SGKWYRQEFLRSNU-NSHDSACASA-N 1 0 278.352 2.834 50 0 CFAARO CCn1nncc1C[NH2+]CC1CCC(C(C)C)CC1 ZINC000417938996 227240494 /nfs/dbraw/zinc/24/04/94/227240494.db2.gz VHISZIGCQRCTPK-UHFFFAOYSA-N 1 0 264.417 2.850 50 0 CFAARO Cn1ccnc1C[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000663369126 420502520 /nfs/dbraw/zinc/50/25/20/420502520.db2.gz RQMDYQPIINKGJV-KRWDZBQOSA-N 1 0 269.392 2.878 50 0 CFAARO C[NH+](C)CCCNCc1cc(Br)cs1 ZINC000020306024 260118129 /nfs/dbraw/zinc/11/81/29/260118129.db2.gz VXVLMXKXIDGGCH-UHFFFAOYSA-N 1 0 277.231 2.552 50 0 CFAARO CNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(-c2ccco2)c1 ZINC000065427050 260242609 /nfs/dbraw/zinc/24/26/09/260242609.db2.gz XALJILWYUQJRCG-GFCCVEGCSA-N 1 0 272.348 2.513 50 0 CFAARO CC1(C(=O)NCC2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000827654734 782039329 /nfs/dbraw/zinc/03/93/29/782039329.db2.gz REBDBINYXWFCJU-INIZCTEOSA-N 1 0 290.451 2.971 50 0 CFAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)[C@H]1CCOC1 ZINC000827778718 782043241 /nfs/dbraw/zinc/04/32/41/782043241.db2.gz QKZLIVLGIYGGDV-HNNXBMFYSA-N 1 0 288.391 2.648 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)[C@H]1C[NH3+] ZINC000070176388 274289520 /nfs/dbraw/zinc/28/95/20/274289520.db2.gz IKOZVBVKFOOADI-RNCFNFMXSA-N 1 0 284.762 2.679 50 0 CFAARO C[C@H]1CN(C[C@@H]2CCC[NH2+]C2)c2cc(Cl)ccc2O1 ZINC000261815069 274585846 /nfs/dbraw/zinc/58/58/46/274585846.db2.gz HXYXMWMLMBYKAG-NWDGAFQWSA-N 1 0 280.799 2.927 50 0 CFAARO Cn1c2ccccc2[n+]2c1SCC(c1ccccc1)=N2 ZINC000012428076 274889038 /nfs/dbraw/zinc/88/90/38/274889038.db2.gz FXWJYMLMEYQWMJ-UHFFFAOYSA-N 1 0 280.376 2.824 50 0 CFAARO O=C1c2cccc3c2[C@H](CCC3)CN1[C@H]1C[NH+]2CCC1CC2 ZINC000011681777 275031235 /nfs/dbraw/zinc/03/12/35/275031235.db2.gz CPZBLNMUGSZIPR-WBVHZDCISA-N 1 0 296.414 2.657 50 0 in-vitro CFAARO c1ccc2c(c1)C[C@@H](C[NH+]1CCSCC1)CCO2 ZINC000095504104 275070241 /nfs/dbraw/zinc/07/02/41/275070241.db2.gz PRYJHNFKRSUKFO-ZDUSSCGKSA-N 1 0 263.406 2.677 50 0 CFAARO c1ccc2c(c1)[nH]c1c2CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC000244795116 275070958 /nfs/dbraw/zinc/07/09/58/275070958.db2.gz QZUCOZFGMGLIPB-LBPRGKRZSA-N 1 0 256.349 2.563 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(n2cncn2)CC1 ZINC000191059297 275909481 /nfs/dbraw/zinc/90/94/81/275909481.db2.gz PQOLHSWFDDBQRU-ZBFHGGJFSA-N 1 0 274.412 2.907 50 0 CFAARO CCC(=O)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000065288880 275944453 /nfs/dbraw/zinc/94/44/53/275944453.db2.gz RPRXPKWNJMDCON-AWEZNQCLSA-N 1 0 252.402 2.654 50 0 CFAARO CC(C)[C@@H]([NH2+]C[C@H]1CCOCO1)c1cccs1 ZINC000069895106 275986156 /nfs/dbraw/zinc/98/61/56/275986156.db2.gz YLJGRJNOYUJGBB-DGCLKSJQSA-N 1 0 255.383 2.798 50 0 CFAARO CC(C)[C@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000096952398 276020200 /nfs/dbraw/zinc/02/02/00/276020200.db2.gz UJAPRAVWFUMDRB-LBPRGKRZSA-N 1 0 256.390 2.617 50 0 CFAARO CCS(=O)(=O)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123151628 276388344 /nfs/dbraw/zinc/38/83/44/276388344.db2.gz YRGPDYJRLDAQHO-CABCVRRESA-N 1 0 295.448 2.593 50 0 CFAARO CC[S@](=O)[C@H]1CCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000241588306 276656153 /nfs/dbraw/zinc/65/61/53/276656153.db2.gz PBUJFFYRTVJLAV-UWVAXJGDSA-N 1 0 291.460 2.823 50 0 CFAARO CN1CCCc2c(N)c3cc(Br)ccc3[nH+]c21 ZINC000003148777 277087554 /nfs/dbraw/zinc/08/75/54/277087554.db2.gz KUWFKXBUXNINOJ-UHFFFAOYSA-N 1 0 292.180 2.962 50 0 CFAARO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000089729143 277323824 /nfs/dbraw/zinc/32/38/24/277323824.db2.gz SPCUABRTKVMLCL-KGLIPLIRSA-N 1 0 252.402 2.720 50 0 CFAARO C[C@@H]([NH2+]Cc1nc2ccccc2o1)[C@H](C)n1cccn1 ZINC000069951423 277624857 /nfs/dbraw/zinc/62/48/57/277624857.db2.gz VILMUCGSTRUVFM-NEPJUHHUSA-N 1 0 270.336 2.764 50 0 CFAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH3+])cc1 ZINC000004343456 277866919 /nfs/dbraw/zinc/86/69/19/277866919.db2.gz FBGZOVPHHCRXEK-CQSZACIVSA-N 1 0 271.364 2.853 50 0 CFAARO COc1ccccc1[C@@H]1C[NH2+]Cc2ccccc2O1 ZINC000299787721 278060833 /nfs/dbraw/zinc/06/08/33/278060833.db2.gz XDEKWEBAZDGHJB-INIZCTEOSA-N 1 0 255.317 2.919 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000003864466 279608271 /nfs/dbraw/zinc/60/82/71/279608271.db2.gz IXLSSBPTUXEGSB-KLHDSHLOSA-N 1 0 271.445 2.823 50 0 CFAARO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)C1(C[NH3+])CCCC1 ZINC000253433231 280017429 /nfs/dbraw/zinc/01/74/29/280017429.db2.gz UHBUDBQBUUVIQR-HOCLYGCPSA-N 1 0 286.419 2.910 50 0 CFAARO C[n+]1cccc([C@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000000174822 280181190 /nfs/dbraw/zinc/18/11/90/280181190.db2.gz ODWZDFSTIZZGME-QGZVFWFLSA-N 1 0 281.379 2.879 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000058162326 280247589 /nfs/dbraw/zinc/24/75/89/280247589.db2.gz XUUHWBJKVBJCFR-RRFJBIMHSA-N 1 0 266.429 2.946 50 0 CFAARO O=C1CCCN1C[C@H]([NH2+]Cc1ccncc1)c1ccccc1 ZINC000061077647 280252388 /nfs/dbraw/zinc/25/23/88/280252388.db2.gz SDZAYFLECIIIMK-KRWDZBQOSA-N 1 0 295.386 2.535 50 0 CFAARO Cc1cc(C(F)(F)F)cc(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000067880949 280376434 /nfs/dbraw/zinc/37/64/34/280376434.db2.gz VDYUVMZWGXZARS-AWEZNQCLSA-N 1 0 299.340 2.989 50 0 CFAARO Cc1cc([C@H](C)[NH2+]C[C@@H]2CNc3ccnn3C2)c(C)s1 ZINC000058327589 280650607 /nfs/dbraw/zinc/65/06/07/280650607.db2.gz HFMRDUNDVSBUKX-WCQYABFASA-N 1 0 290.436 2.954 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC000058015412 281051222 /nfs/dbraw/zinc/05/12/22/281051222.db2.gz MPZGNOXKZSPKDZ-AWEZNQCLSA-N 1 0 252.402 2.509 50 0 CFAARO [NH3+][C@@H]1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000255150743 281089605 /nfs/dbraw/zinc/08/96/05/281089605.db2.gz GHNVCJXVIRTCJV-PNDGHQIGSA-N 1 0 285.174 2.566 50 0 CFAARO C[C@@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@@H](C[NH3+])C1 ZINC000261881592 281112337 /nfs/dbraw/zinc/11/23/37/281112337.db2.gz UDFGOGQDJQZDQP-UKRRQHHQSA-N 1 0 297.402 2.881 50 0 CFAARO C[NH+](C)C1(CNC(=O)[C@@]2(C)CC2(Cl)Cl)CCCC1 ZINC000042765392 282040882 /nfs/dbraw/zinc/04/08/82/282040882.db2.gz QPDRNZGEOZYCIE-LLVKDONJSA-N 1 0 293.238 2.561 50 0 CFAARO Cc1[nH+]c2ccccc2c(N2CC[C@@](F)(CO)C2)c1C ZINC000338421297 282073860 /nfs/dbraw/zinc/07/38/60/282073860.db2.gz ONKHOPWDCBMRHV-INIZCTEOSA-N 1 0 274.339 2.762 50 0 CFAARO Cc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nn1C ZINC000426370248 293141439 /nfs/dbraw/zinc/14/14/39/293141439.db2.gz WTMODPZYZKUNRW-LBPRGKRZSA-N 1 0 270.380 2.947 50 0 CFAARO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000086485798 295553230 /nfs/dbraw/zinc/55/32/30/295553230.db2.gz UOWXWZSHFCAWDR-KBPBESRZSA-N 1 0 273.442 2.655 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@H](C)CN1CCc2ccccc2C1 ZINC000067955227 302840851 /nfs/dbraw/zinc/84/08/51/302840851.db2.gz YKBLLWFDODZXSQ-CYBMUJFWSA-N 1 0 299.418 2.828 50 0 CFAARO C[C@@H](C[NH+]1CCCCCC1)NCc1cccc(CO)c1 ZINC000534576660 328310084 /nfs/dbraw/zinc/31/00/84/328310084.db2.gz GLKAVJGJBFEPSO-HNNXBMFYSA-N 1 0 276.424 2.533 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)[C@H]2CCOC(C)(C)C2)CCCC1 ZINC000534581029 328311659 /nfs/dbraw/zinc/31/16/59/328311659.db2.gz DXOUNPCESHMLSU-AWEZNQCLSA-N 1 0 296.455 2.572 50 0 CFAARO CCc1nc(CC[NH2+]C2CSCCSC2)cs1 ZINC000534643560 328329487 /nfs/dbraw/zinc/32/94/87/328329487.db2.gz MQHMXNWNZTVGGS-UHFFFAOYSA-N 1 0 288.507 2.686 50 0 CFAARO Cc1c[nH]c([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000534633599 328332517 /nfs/dbraw/zinc/33/25/17/328332517.db2.gz WLKLOZOIRZIVOA-NSHDSACASA-N 1 0 264.417 2.678 50 0 CFAARO O=C([C@H]1CCC[NH2+]CC1)N1CC=C(c2ccccc2)CC1 ZINC000534633540 328332653 /nfs/dbraw/zinc/33/26/53/328332653.db2.gz OJGIGIMJHWFCLN-KRWDZBQOSA-N 1 0 284.403 2.692 50 0 CFAARO c1cn(CC2(C[NH2+][C@@H]3CCN(c4ccccc4)C3)CC2)cn1 ZINC000534652475 328337957 /nfs/dbraw/zinc/33/79/57/328337957.db2.gz CQEGDTLBJKFQJW-MRXNPFEDSA-N 1 0 296.418 2.532 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)c2cc(O)ccc2F)CCCC1 ZINC000534676264 328351799 /nfs/dbraw/zinc/35/17/99/328351799.db2.gz NYGSHRAZPXJPPJ-UHFFFAOYSA-N 1 0 294.370 2.526 50 0 CFAARO Cc1cc(OCc2nc(C(C)(C)C)no2)cc(C)[nH+]1 ZINC000128163673 323624548 /nfs/dbraw/zinc/62/45/48/323624548.db2.gz GTXPGPUOZCUULW-UHFFFAOYSA-N 1 0 261.325 2.958 50 0 CFAARO CC(C)(C[NH2+]Cc1cocn1)c1ccc2c(c1)OCCO2 ZINC000192300366 324058842 /nfs/dbraw/zinc/05/88/42/324058842.db2.gz NUUPVFSNYAABJM-UHFFFAOYSA-N 1 0 288.347 2.513 50 0 CFAARO CN(C)c1nnc(SCCC[NH+]2CCCCC2)s1 ZINC000195570144 324109239 /nfs/dbraw/zinc/10/92/39/324109239.db2.gz VKEAMHHIJGWSSA-UHFFFAOYSA-N 1 0 286.470 2.572 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1nnc2ccccn21 ZINC000195568440 324109387 /nfs/dbraw/zinc/10/93/87/324109387.db2.gz AURXDHXIJGTNIW-KGLIPLIRSA-N 1 0 270.380 2.811 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)o1 ZINC000195571210 324109691 /nfs/dbraw/zinc/10/96/91/324109691.db2.gz MQKHSYQWMAHBMZ-GHMZBOCLSA-N 1 0 255.387 2.532 50 0 CFAARO COc1ccc([C@@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000001301182 326794352 /nfs/dbraw/zinc/79/43/52/326794352.db2.gz BMNOFJQQVWBTHV-OAHLLOKOSA-N 1 0 271.360 2.989 50 0 CFAARO CC(C)(C)[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)CC1 ZINC000071909412 327106318 /nfs/dbraw/zinc/10/63/18/327106318.db2.gz HNZZWHREUHORIQ-CYBMUJFWSA-N 1 0 275.458 2.569 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[C@@H]([NH3+])C2 ZINC000095876168 327203422 /nfs/dbraw/zinc/20/34/22/327203422.db2.gz VFQDVULOICIHJT-BXUZGUMPSA-N 1 0 254.374 2.515 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]Cc2scnc2C)cn1 ZINC000414125455 533800067 /nfs/dbraw/zinc/80/00/67/533800067.db2.gz QGUPNLDEJONYSB-JTQLQIEISA-N 1 0 277.393 2.576 50 0 CFAARO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(F)c(Cl)c1 ZINC000096491148 533821490 /nfs/dbraw/zinc/82/14/90/533821490.db2.gz CQUOAEZXVKDYBQ-VIFPVBQESA-N 1 0 284.762 2.656 50 0 CFAARO COc1cc(C[NH2+]C[C@@H]2CCCS2)cc(OC)c1 ZINC000122044188 533880145 /nfs/dbraw/zinc/88/01/45/533880145.db2.gz AWMYTERQRCCRPK-AWEZNQCLSA-N 1 0 267.394 2.689 50 0 CFAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccccn1 ZINC000096486389 534200404 /nfs/dbraw/zinc/20/04/04/534200404.db2.gz DCLBDHALTPNTGC-WCQYABFASA-N 1 0 262.378 2.745 50 0 CFAARO Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)oc1C ZINC000098016024 534366977 /nfs/dbraw/zinc/36/69/77/534366977.db2.gz RYKKQJISXADTGH-CABCVRRESA-N 1 0 277.412 2.739 50 0 CFAARO CC(C)[NH2+]Cc1cc(-c2ccc(F)c(F)c2)n[nH]1 ZINC000050479217 519726228 /nfs/dbraw/zinc/72/62/28/519726228.db2.gz PGXDBYLIJJFMHQ-UHFFFAOYSA-N 1 0 251.280 2.853 50 0 CFAARO CC[NH2+]Cc1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000050479004 519985055 /nfs/dbraw/zinc/98/50/55/519985055.db2.gz JCLZTEIMXIHJBF-UHFFFAOYSA-N 1 0 280.169 2.949 50 0 CFAARO Cc1ccc2cc(C[NH2+]CC(C)(C)N(C)C)ccc2n1 ZINC000097861313 534469058 /nfs/dbraw/zinc/46/90/58/534469058.db2.gz NAAXQKPNYUUWOT-UHFFFAOYSA-N 1 0 271.408 2.973 50 0 CFAARO CCC[N@H+](CCOC)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000067983447 521669291 /nfs/dbraw/zinc/66/92/91/521669291.db2.gz YYXILEQFFIXXQV-UHFFFAOYSA-N 1 0 292.354 2.526 50 0 CFAARO CN(C)c1nccc(C[NH2+][C@@H]2CCCC23CCCC3)n1 ZINC000340319274 522360151 /nfs/dbraw/zinc/36/01/51/522360151.db2.gz YYFHVVYAAHSNMX-CQSZACIVSA-N 1 0 274.412 2.745 50 0 CFAARO Cc1cccc(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000016663044 524381589 /nfs/dbraw/zinc/38/15/89/524381589.db2.gz AXVURNBXWKLDHR-UHFFFAOYSA-N 1 0 255.361 2.990 50 0 CFAARO Cc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000052097870 524433654 /nfs/dbraw/zinc/43/36/54/524433654.db2.gz OVUYBQXRTXXBCH-QGZVFWFLSA-N 1 0 255.361 2.992 50 0 CFAARO COc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)cc1 ZINC000068045692 524967990 /nfs/dbraw/zinc/96/79/90/524967990.db2.gz SZFJCQHMBGSZCD-HNNXBMFYSA-N 1 0 293.407 2.701 50 0 CFAARO CSCc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000156269039 525724190 /nfs/dbraw/zinc/72/41/90/525724190.db2.gz LGLYACDMAQWFLE-WFASDCNBSA-N 1 0 292.448 2.749 50 0 CFAARO Cc1c[nH+]ccc1N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000192672231 526235622 /nfs/dbraw/zinc/23/56/22/526235622.db2.gz MVPBOIYNDUIAPB-HNNXBMFYSA-N 1 0 276.380 2.554 50 0 CFAARO O[C@]12CCCC[C@H]1C[N@H+](CCOc1ccc(F)cc1)CC2 ZINC000220380987 526322031 /nfs/dbraw/zinc/32/20/31/526322031.db2.gz JLBIUZBLHHQJOL-YOEHRIQHSA-N 1 0 293.382 2.832 50 0 CFAARO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158503317 526774349 /nfs/dbraw/zinc/77/43/49/526774349.db2.gz NHUMIOUMJAXROQ-GFCCVEGCSA-N 1 0 293.436 2.672 50 0 CFAARO NCC[NH2+]CCCOc1ccccc1-c1ccccc1 ZINC000022039762 527189293 /nfs/dbraw/zinc/18/92/93/527189293.db2.gz MQDQVWLADWHQBV-UHFFFAOYSA-N 1 0 270.376 2.671 50 0 CFAARO [NH3+]Cc1ccc(-c2nc([C@H]3CCOC3)cs2)cc1 ZINC000157830629 527250562 /nfs/dbraw/zinc/25/05/62/527250562.db2.gz FLRLZJXKMNGRFQ-LBPRGKRZSA-N 1 0 260.362 2.773 50 0 CFAARO CCOC(=O)N1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000000757667 528956805 /nfs/dbraw/zinc/95/68/05/528956805.db2.gz MSDBWXARZHBHMY-UHFFFAOYSA-N 1 0 294.370 2.579 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000096455615 529211824 /nfs/dbraw/zinc/21/18/24/529211824.db2.gz VKHHLZHPLWBIOO-ZIAGYGMSSA-N 1 0 269.410 2.926 50 0 CFAARO CCOCC[N@@H+]1CCN([C@H](C)c2cccnc2)C[C@H]1CC ZINC000252474811 535607641 /nfs/dbraw/zinc/60/76/41/535607641.db2.gz MSLCFPUXBGDRFS-NVXWUHKLSA-N 1 0 291.439 2.575 50 0 CFAARO Cc1nccn1CCC[NH+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000252509083 566832544 /nfs/dbraw/zinc/83/25/44/566832544.db2.gz YCDOGTWBNYMSTF-HNNXBMFYSA-N 1 0 286.423 2.848 50 0 CFAARO C[C@H]([NH2+]C[C@@H](O)c1ccncc1)c1cc(F)cc(F)c1 ZINC000090712815 566953863 /nfs/dbraw/zinc/95/38/63/566953863.db2.gz CULNHIRAKGELHW-ZUZCIYMTSA-N 1 0 278.302 2.744 50 0 CFAARO C[C@@H]1CCC[C@@H](C)C1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000239672509 570355108 /nfs/dbraw/zinc/35/51/08/570355108.db2.gz BTNIYVUXEIFSGC-RBSFLKMASA-N 1 0 295.471 2.985 50 0 CFAARO [NH3+][C@H]1Cc2ccc(-c3ccc(N4CCCC4)nc3)cc2C1 ZINC000935618317 649923241 /nfs/dbraw/zinc/92/32/41/649923241.db2.gz ODSCLSNANNDVNY-KRWDZBQOSA-N 1 0 279.387 2.775 50 0 CFAARO CC[C@@H](C(=O)NCc1ccc(C)cc1C)[N@H+](C)CC ZINC000952964177 615382256 /nfs/dbraw/zinc/38/22/56/615382256.db2.gz MZHNGNHFPPRGCH-HNNXBMFYSA-N 1 0 262.397 2.650 50 0 CFAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+]CCN(C)C)o1 ZINC000022077607 617961968 /nfs/dbraw/zinc/96/19/68/617961968.db2.gz QRSQMGZGGRCZTB-LBPRGKRZSA-N 1 0 252.402 2.795 50 0 CFAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccncc2)CC1 ZINC000022146138 617994736 /nfs/dbraw/zinc/99/47/36/617994736.db2.gz YQKCXKYTYWMMKM-WBVHZDCISA-N 1 0 273.424 2.778 50 0 CFAARO Fc1ccc(OCCOCC[NH+]2CCCCC2)cc1 ZINC000002896443 618080962 /nfs/dbraw/zinc/08/09/62/618080962.db2.gz KCSUKODQLYQEHV-UHFFFAOYSA-N 1 0 267.344 2.707 50 0 CFAARO Fc1ccccc1OCCCCC[NH+]1CCOCC1 ZINC000023115387 618117338 /nfs/dbraw/zinc/11/73/38/618117338.db2.gz XDPRXIOUXFADDO-UHFFFAOYSA-N 1 0 267.344 2.707 50 0 CFAARO COc1ccc(CC[N@H+](C)Cc2ccoc2)cc1OC ZINC000023115242 618117398 /nfs/dbraw/zinc/11/73/98/618117398.db2.gz XUVAYIZNMCDGMR-UHFFFAOYSA-N 1 0 275.348 2.971 50 0 CFAARO Cc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c(F)cc1F ZINC000175972635 618149908 /nfs/dbraw/zinc/14/99/08/618149908.db2.gz DEZHRRXODDAGQZ-UHFFFAOYSA-N 1 0 294.345 2.630 50 0 CFAARO CCc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)s1 ZINC000156815266 618153000 /nfs/dbraw/zinc/15/30/00/618153000.db2.gz FSACVWVKNMGHGJ-AWEZNQCLSA-N 1 0 294.464 2.607 50 0 CFAARO Cc1ccc(C[N@H+]2CCc3nnc(C(C)C)n3CC2)cc1 ZINC000019744515 618791585 /nfs/dbraw/zinc/79/15/85/618791585.db2.gz SUCBWOQKVZOGBF-UHFFFAOYSA-N 1 0 284.407 2.768 50 0 CFAARO O=C(Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000019794733 618794245 /nfs/dbraw/zinc/79/42/45/618794245.db2.gz GKFMEHOUCUCLBC-QGZVFWFLSA-N 1 0 286.419 2.564 50 0 CFAARO CO[C@@H]1CCC12CC[NH+](Cc1scnc1C)CC2 ZINC000257175126 618871136 /nfs/dbraw/zinc/87/11/36/618871136.db2.gz AGIFMQBTNJWOJW-CYBMUJFWSA-N 1 0 266.410 2.843 50 0 CFAARO Cc1nocc1[C@@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000888098615 619132499 /nfs/dbraw/zinc/13/24/99/619132499.db2.gz LRVMFPXVWYAAEO-SNVBAGLBSA-N 1 0 293.392 2.515 50 0 CFAARO Cc1c2ccccc2oc1C[N@@H+](C)[C@H]1CCN(C)C1 ZINC000230574816 619167090 /nfs/dbraw/zinc/16/70/90/619167090.db2.gz ORFRXHQPLGSOSZ-ZDUSSCGKSA-N 1 0 258.365 2.877 50 0 CFAARO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2N)cc1 ZINC000262881434 620083097 /nfs/dbraw/zinc/08/30/97/620083097.db2.gz FMOLDVPTHIIAHE-QGZVFWFLSA-N 1 0 297.402 2.822 50 0 CFAARO [NH3+][C@H]1CN(CCCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000091663322 623710365 /nfs/dbraw/zinc/71/03/65/623710365.db2.gz ZZZCQEFGNXXTQY-OLZOCXBDSA-N 1 0 272.314 2.756 50 0 CFAARO CC[NH+](CC)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000072557598 625685060 /nfs/dbraw/zinc/68/50/60/625685060.db2.gz UAIZKIHHHDUQKN-AWEZNQCLSA-N 1 0 264.344 2.663 50 0 CFAARO CC(C)C[C@H](c1nc(-c2ccncc2)no1)n1ccnc1 ZINC000874435451 624452404 /nfs/dbraw/zinc/45/24/04/624452404.db2.gz SVWCVPBEVRIMDQ-CYBMUJFWSA-N 1 0 283.335 2.964 50 0 CFAARO COc1cc(F)c([C@H](C)[NH2+][C@@H]2C[C@@H]3COC[C@H]23)cc1OC ZINC000952992743 626122164 /nfs/dbraw/zinc/12/21/64/626122164.db2.gz ADDSHZNZHQEIAM-HEQLZXTPSA-N 1 0 295.354 2.528 50 0 CFAARO c1ncn(Cc2ccc(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)cc2)n1 ZINC000863983929 637832723 /nfs/dbraw/zinc/83/27/23/637832723.db2.gz NRZGJWCRCNKYDA-BMGDILEWSA-N 1 0 294.402 2.771 50 0 CFAARO C[NH+]1CCC(N[C@@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000863983157 637832770 /nfs/dbraw/zinc/83/27/70/637832770.db2.gz CTLSHDMWVIZOHR-JKSUJKDBSA-N 1 0 262.372 2.696 50 0 CFAARO Cc1ncsc1C[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000863983373 637833063 /nfs/dbraw/zinc/83/30/63/637833063.db2.gz GMKOFZQPNBOCSI-LLVKDONJSA-N 1 0 299.403 2.883 50 0 CFAARO CSC1CC([NH2+]C[C@H](CCO)c2ccccc2)C1 ZINC000863984566 637833254 /nfs/dbraw/zinc/83/32/54/637833254.db2.gz WKICLCTVNVVOQT-NFOMZHRRSA-N 1 0 265.422 2.636 50 0 CFAARO C/C(=C/c1ccc(F)cc1)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000195542834 650755940 /nfs/dbraw/zinc/75/59/40/650755940.db2.gz POEZURQRBVGRCB-WQTVUKCASA-N 1 0 276.355 2.569 50 0 CFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC2(C)C)cc1 ZINC000952968591 650789870 /nfs/dbraw/zinc/78/98/70/650789870.db2.gz NIAUIQHHDZIEMR-MRXNPFEDSA-N 1 0 288.435 2.931 50 0 CFAARO C[NH+](C)CCCNC(=O)c1cccc(Oc2ccccn2)c1 ZINC000096382873 650990489 /nfs/dbraw/zinc/99/04/89/650990489.db2.gz UAPSGWXXTKLCLD-UHFFFAOYSA-N 1 0 299.374 2.555 50 0 CFAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1F ZINC000125610941 647849810 /nfs/dbraw/zinc/84/98/10/647849810.db2.gz HASYVYWLVHKCSE-UHFFFAOYSA-N 1 0 296.773 2.836 50 0 CFAARO CO[C@]12CCC[C@@]1([NH2+]Cc1ccc(Cl)nc1)CCO2 ZINC000928996252 648972049 /nfs/dbraw/zinc/97/20/49/648972049.db2.gz QIZGMOKLKXRTBI-KGLIPLIRSA-N 1 0 282.771 2.510 50 0 CFAARO CCCO[C@H]1CCCN(C[C@@H]2CCCCC[N@@H+]2C)C1 ZINC000019884783 651294839 /nfs/dbraw/zinc/29/48/39/651294839.db2.gz GRQMHXSSAHAFDW-HOTGVXAUSA-N 1 0 268.445 2.752 50 0 CFAARO c1cnn(CCC[N@@H+]2CCO[C@@H](CC3CCCCC3)C2)c1 ZINC000020999903 651302691 /nfs/dbraw/zinc/30/26/91/651302691.db2.gz MTYYUSFKNCGMCR-KRWDZBQOSA-N 1 0 291.439 2.944 50 0 CFAARO C[NH+](C)Cc1ccc([C@H]2CCCN2Cc2ncc[nH]2)cc1 ZINC000065526639 769900107 /nfs/dbraw/zinc/90/01/07/769900107.db2.gz JKSVUUJMFWHEIG-MRXNPFEDSA-N 1 0 284.407 2.808 50 0 CFAARO Fc1ccc(-c2nc(CC[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000675024134 775986540 /nfs/dbraw/zinc/98/65/40/775986540.db2.gz DFDOCCFRCDYESS-NSHDSACASA-N 1 0 275.327 2.808 50 0 CFAARO C[C@@H]1C[N@H+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)[C@H]1C ZINC000585116723 776865553 /nfs/dbraw/zinc/86/55/53/776865553.db2.gz GXNVFGXMJMOZLS-DVZHBHJUSA-N 1 0 280.412 2.584 50 0 CFAARO C[Si](C)([NH2+][Si](C)(C)c1ccccc1)c1ccccc1 ZINC000170173070 778215886 /nfs/dbraw/zinc/21/58/86/778215886.db2.gz HIMXYMYMHUAZLW-UHFFFAOYSA-N 1 0 285.539 2.801 50 0 CFAARO CCC[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1[NH+](C)C ZINC000082092524 177919910 /nfs/dbraw/zinc/91/99/10/177919910.db2.gz QBMKKISLIRQAIY-IAQYHMDHSA-N 1 0 296.361 2.767 50 0 CFAARO CN(C(=O)CC[NH3+])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000096481027 230380263 /nfs/dbraw/zinc/38/02/63/230380263.db2.gz MLXYBJMEOVSBSG-KRWDZBQOSA-N 1 0 286.350 2.722 50 0 CFAARO C[NH+](C)CCc1ccc(NCc2cscn2)cc1 ZINC000096482829 230380606 /nfs/dbraw/zinc/38/06/06/230380606.db2.gz JPTPKADJVDMPOB-UHFFFAOYSA-N 1 0 261.394 2.859 50 0 CFAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000096493358 230383188 /nfs/dbraw/zinc/38/31/88/230383188.db2.gz SFJOIDMOLHOWGR-CAPXZKIUSA-N 1 0 291.439 2.539 50 0 CFAARO Cc1cc2cccc(NC(=O)N3CC[C@@H]([NH+](C)C)C3)c2o1 ZINC000095518454 185002254 /nfs/dbraw/zinc/00/22/54/185002254.db2.gz QTFMAAZXJLLZLH-CYBMUJFWSA-N 1 0 287.363 2.909 50 0 CFAARO [NH3+][C@@H]1CCCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426712018 230427276 /nfs/dbraw/zinc/42/72/76/230427276.db2.gz JFBAWBIUYAAAKI-SNVBAGLBSA-N 1 0 263.772 2.744 50 0 CFAARO CCC[C@@H](O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000036102881 260153811 /nfs/dbraw/zinc/15/38/11/260153811.db2.gz OYTYZLSRPQUSMO-OAHLLOKOSA-N 1 0 263.381 2.821 50 0 CFAARO CC[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)[NH+](C)C ZINC000095945417 185038133 /nfs/dbraw/zinc/03/81/33/185038133.db2.gz RZMSQDYDQRDYRY-MRXNPFEDSA-N 1 0 290.382 2.782 50 0 CFAARO CCOc1cc(CCC[NH2+][C@@H](C)COC)ccc1OC ZINC000095962416 185044906 /nfs/dbraw/zinc/04/49/06/185044906.db2.gz MADRKUSXHCFOKX-ZDUSSCGKSA-N 1 0 281.396 2.651 50 0 CFAARO CC(C)(C[NH2+][C@@H]1CCN(C2CC2)C1)CC1CCOCC1 ZINC000095969387 185047623 /nfs/dbraw/zinc/04/76/23/185047623.db2.gz HILBYYNLMQMIKJ-OAHLLOKOSA-N 1 0 280.456 2.656 50 0 CFAARO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCS1 ZINC000095969268 185048177 /nfs/dbraw/zinc/04/81/77/185048177.db2.gz OZEWHCNUHFNCQV-DZGCQCFKSA-N 1 0 292.448 2.913 50 0 CFAARO CC[C@H]([NH2+]C1CCSCC1)c1c(C)nn(C)c1C ZINC000095968712 185048218 /nfs/dbraw/zinc/04/82/18/185048218.db2.gz BVUNKELQKWEKLM-ZDUSSCGKSA-N 1 0 267.442 2.973 50 0 CFAARO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1ccccn1 ZINC000095978198 185052337 /nfs/dbraw/zinc/05/23/37/185052337.db2.gz MCZXZEQNCQMISU-BLLLJJGKSA-N 1 0 274.339 2.823 50 0 CFAARO COc1cc(C[NH+]2CCC(CO)CC2)ccc1OC(C)C ZINC000095982446 185054183 /nfs/dbraw/zinc/05/41/83/185054183.db2.gz JZJJNJHNVHINPR-UHFFFAOYSA-N 1 0 293.407 2.687 50 0 CFAARO COCCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000095982184 185054537 /nfs/dbraw/zinc/05/45/37/185054537.db2.gz CBGDRGFMBAVKJL-RISCZKNCSA-N 1 0 297.468 2.693 50 0 CFAARO COC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000095984968 185054723 /nfs/dbraw/zinc/05/47/23/185054723.db2.gz CYGMELKHHJQHRQ-IUODEOHRSA-N 1 0 285.334 2.811 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000095987505 185056394 /nfs/dbraw/zinc/05/63/94/185056394.db2.gz UGDJMGGLEZTWIH-OUCADQQQSA-N 1 0 264.417 2.911 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc(N(C)C)n2)C12CCC2 ZINC000095987970 185056925 /nfs/dbraw/zinc/05/69/25/185056925.db2.gz FVVQERVYGKRJJO-CHWSQXEVSA-N 1 0 295.452 2.646 50 0 CFAARO CCS[C@@H]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000095990113 185057743 /nfs/dbraw/zinc/05/77/43/185057743.db2.gz LIMOVWBGTKVSEZ-QWHCGFSZSA-N 1 0 267.442 2.801 50 0 CFAARO Cc1noc(C)c1C[NH2+]C[C@@H]1COC2(CCC(C)CC2)O1 ZINC000095991155 185058776 /nfs/dbraw/zinc/05/87/76/185058776.db2.gz ZDKGZFSZARVATO-OFWKBQFLSA-N 1 0 294.395 2.703 50 0 CFAARO Cc1ccc([C@@H](C)N(C)Cc2nccc(N)n2)s1 ZINC000097020571 185152761 /nfs/dbraw/zinc/15/27/61/185152761.db2.gz UIGFTXRVZUMAHE-SNVBAGLBSA-N 1 0 262.382 2.622 50 0 CFAARO Cc1cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)ccn1 ZINC000097032413 185156248 /nfs/dbraw/zinc/15/62/48/185156248.db2.gz VLGBKKLMQQRBPM-UHFFFAOYSA-N 1 0 298.390 2.773 50 0 CFAARO CCC[C@@H](C[N@@H+]1CCCN(C(N)=O)CC1)c1ccccc1 ZINC000097033899 185156358 /nfs/dbraw/zinc/15/63/58/185156358.db2.gz SNMUUNNTMFQFKR-INIZCTEOSA-N 1 0 289.423 2.657 50 0 CFAARO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)cc1 ZINC000097033749 185156429 /nfs/dbraw/zinc/15/64/29/185156429.db2.gz DDCVZWQXMLAFKJ-VIFPVBQESA-N 1 0 254.761 2.502 50 0 CFAARO COCc1cccc(OC(=O)c2ccn3c[nH+]cc3c2)c1 ZINC000097034308 185157117 /nfs/dbraw/zinc/15/71/17/185157117.db2.gz KSCUGICMUYAEIB-UHFFFAOYSA-N 1 0 282.299 2.700 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCCC[C@H]1CO ZINC000097035009 185157284 /nfs/dbraw/zinc/15/72/84/185157284.db2.gz VRUZTRZLRRUFQU-BBRMVZONSA-N 1 0 293.455 2.576 50 0 CFAARO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](SC)C2)cc1 ZINC000097034939 185157652 /nfs/dbraw/zinc/15/76/52/185157652.db2.gz VWJPUWHRSXHDGP-KBPBESRZSA-N 1 0 279.405 2.847 50 0 CFAARO Cc1ncc2c(n1)CCC[C@@H]2NC1CC[NH+](C(C)C)CC1 ZINC000095422592 282169393 /nfs/dbraw/zinc/16/93/93/282169393.db2.gz CIZSUVQESQNNCF-KRWDZBQOSA-N 1 0 288.439 2.625 50 0 CFAARO CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000093310773 282176464 /nfs/dbraw/zinc/17/64/64/282176464.db2.gz DHEFNHHAJBRKQK-CHWSQXEVSA-N 1 0 254.418 2.787 50 0 CFAARO C[NH2+]C[C@@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000004827692 290674901 /nfs/dbraw/zinc/67/49/01/290674901.db2.gz XCQVPSPPDUSQOL-CQSZACIVSA-N 1 0 255.361 2.778 50 0 CFAARO C[C@H]([NH2+]C1(CO)CC1)c1ccc(Br)cc1F ZINC000126862273 187267105 /nfs/dbraw/zinc/26/71/05/187267105.db2.gz JENDQMHJILJUBS-QMMMGPOBSA-N 1 0 288.160 2.764 50 0 CFAARO C[N@H+](CCN1CCOC1=O)CC12CC3CC(CC(C3)C1)C2 ZINC000074157705 346999707 /nfs/dbraw/zinc/99/97/07/346999707.db2.gz HSOGENKMPRESMI-UHFFFAOYSA-N 1 0 292.423 2.587 50 0 CFAARO Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000096496710 282319498 /nfs/dbraw/zinc/31/94/98/282319498.db2.gz CENVOLOKDBVQLR-GXTWGEPZSA-N 1 0 294.468 2.937 50 0 CFAARO C[C@@H]1C[N@@H+](CCn2cc(-c3ccccc3)cn2)C[C@H](C)O1 ZINC000075105636 347055916 /nfs/dbraw/zinc/05/59/16/347055916.db2.gz WZIGEJSGNLISCY-GASCZTMLSA-N 1 0 285.391 2.659 50 0 CFAARO C[C@H](CCc1cccc(F)c1)[NH+]1CCC(CO)CC1 ZINC000097084278 185525447 /nfs/dbraw/zinc/52/54/47/185525447.db2.gz KGZKNPXRAPSCCC-CYBMUJFWSA-N 1 0 265.372 2.851 50 0 CFAARO C[N@H+](CCc1ccncc1)Cc1c[nH]nc1-c1cccnc1 ZINC000170594886 539469794 /nfs/dbraw/zinc/46/97/94/539469794.db2.gz KBKFRPKXJJZVJF-UHFFFAOYSA-N 1 0 293.374 2.541 50 0 CFAARO COc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1 ZINC000127504279 187312042 /nfs/dbraw/zinc/31/20/42/187312042.db2.gz SIZSDKIFETZTFR-HNNXBMFYSA-N 1 0 271.364 2.670 50 0 CFAARO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000128305558 187363026 /nfs/dbraw/zinc/36/30/26/187363026.db2.gz GZPPJMCUWTXURT-SFYZADRCSA-N 1 0 276.149 2.620 50 0 CFAARO CC[NH+](CC)CCN(C)CC(=O)Nc1ccccc1Cl ZINC000019369178 346241927 /nfs/dbraw/zinc/24/19/27/346241927.db2.gz KZDOXZCAELOVMW-UHFFFAOYSA-N 1 0 297.830 2.552 50 0 CFAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078342 346247520 /nfs/dbraw/zinc/24/75/20/346247520.db2.gz DTUDASASKRVRRY-JQWIXIFHSA-N 1 0 299.212 2.711 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000085334123 179022714 /nfs/dbraw/zinc/02/27/14/179022714.db2.gz VQIJJKBMLXCPQA-MSOLQXFVSA-N 1 0 278.355 2.916 50 0 CFAARO CCOCn1c[n+](Cc2ccccc2)c2ccccc21 ZINC000034401746 346316507 /nfs/dbraw/zinc/31/65/07/346316507.db2.gz DVLUKAVYSPAAMY-UHFFFAOYSA-N 1 0 267.352 2.971 50 0 CFAARO Clc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000012114635 282504730 /nfs/dbraw/zinc/50/47/30/282504730.db2.gz ROGHUOMPUVCGAA-JTQLQIEISA-N 1 0 263.728 2.857 50 0 CFAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000076057437 347117136 /nfs/dbraw/zinc/11/71/36/347117136.db2.gz XFWVNZWFMLNEFS-YPMHNXCESA-N 1 0 298.814 2.916 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](C)C1 ZINC000078897655 347278948 /nfs/dbraw/zinc/27/89/48/347278948.db2.gz WEJLMXGLJYXNON-WMLDXEAASA-N 1 0 288.435 2.986 50 0 CFAARO COc1ccccc1[C@@H]1CC[N@H+](CCCc2cn[nH]c2)C1 ZINC000078950171 347280925 /nfs/dbraw/zinc/28/09/25/347280925.db2.gz XTXSMLLKGFXORG-OAHLLOKOSA-N 1 0 285.391 2.840 50 0 CFAARO c1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccccn2)cc1 ZINC000078988893 347283620 /nfs/dbraw/zinc/28/36/20/347283620.db2.gz QQECAZHKOLFYEN-HOTGVXAUSA-N 1 0 254.333 2.701 50 0 CFAARO CCC(C)(C)C[NH2+]C[C@@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000089941993 347532862 /nfs/dbraw/zinc/53/28/62/347532862.db2.gz VNCYLICWGWIPJN-JSGCOSHPSA-N 1 0 265.401 2.524 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+]C1CCC(O)CC1)CCC2 ZINC000090800185 347557600 /nfs/dbraw/zinc/55/76/00/347557600.db2.gz GLBLSEIWNVADAH-GCZXYKMCSA-N 1 0 266.410 2.722 50 0 CFAARO FC(F)(F)[C@@H]1CCCn2c(C[NH2+]C3CCCC3)nnc21 ZINC000095402046 347698408 /nfs/dbraw/zinc/69/84/08/347698408.db2.gz QQUOKQGIGMGKPT-SNVBAGLBSA-N 1 0 288.317 2.750 50 0 CFAARO CCOC(C[N@@H+]1CCc2ccsc2C1)OCC ZINC000097094920 347706780 /nfs/dbraw/zinc/70/67/80/347706780.db2.gz RQIRQWTZUIVTFN-UHFFFAOYSA-N 1 0 255.383 2.505 50 0 CFAARO CC(C)Cn1nccc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000097231963 347707969 /nfs/dbraw/zinc/70/79/69/347707969.db2.gz QRFMJNXCCSCJFW-OLZOCXBDSA-N 1 0 262.401 2.576 50 0 CFAARO Fc1ccc(F)c([C@@H]([NH2+]CCn2ccnc2)C2CC2)c1 ZINC000097230954 347707998 /nfs/dbraw/zinc/70/79/98/347707998.db2.gz OJELWRADIROJJS-HNNXBMFYSA-N 1 0 277.318 2.902 50 0 CFAARO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000097235478 347708006 /nfs/dbraw/zinc/70/80/06/347708006.db2.gz UGPIGCIOZUWLTP-AWEZNQCLSA-N 1 0 291.391 2.803 50 0 CFAARO CCc1ccc(/C(C)=C/C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000328596039 201949812 /nfs/dbraw/zinc/94/98/12/201949812.db2.gz OYBRJEBVWLTUQE-UKYUDJEDSA-N 1 0 286.419 2.720 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000110687919 347749532 /nfs/dbraw/zinc/74/95/32/347749532.db2.gz BJTPNQCWZRTZIG-KWCYVHTRSA-N 1 0 253.411 2.820 50 0 CFAARO CC(C)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2CO)n1 ZINC000125567674 347828054 /nfs/dbraw/zinc/82/80/54/347828054.db2.gz LSCXSACDHJCMGB-CJNGLKHVSA-N 1 0 262.397 2.846 50 0 CFAARO CCCNC(=O)NCC1([NH3+])CCC(C(C)(C)C)CC1 ZINC000725255337 539587772 /nfs/dbraw/zinc/58/77/72/539587772.db2.gz ZBJFGSOSJQIYFE-UHFFFAOYSA-N 1 0 269.433 2.629 50 0 CFAARO C[C@H]1CC(C)(C)C[C@]([NH3+])(CNC(=O)NC(C)(C)C)C1 ZINC000725255207 539587840 /nfs/dbraw/zinc/58/78/40/539587840.db2.gz WIEPZUUBMGAKNS-NHYWBVRUSA-N 1 0 269.433 2.628 50 0 CFAARO CCCCNC(=O)NCC1([NH3+])CCC(C(C)C)CC1 ZINC000725255257 539588014 /nfs/dbraw/zinc/58/80/14/539588014.db2.gz XNDTXZMJCLSCAQ-UHFFFAOYSA-N 1 0 269.433 2.629 50 0 CFAARO CC(=O)NCC[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000119599381 539588031 /nfs/dbraw/zinc/58/80/31/539588031.db2.gz RVEQHLLKJKHPPP-RRQGHBQHSA-N 1 0 274.408 2.685 50 0 CFAARO CCS[C@@H]1CC[C@H]([NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000133099932 347889833 /nfs/dbraw/zinc/88/98/33/347889833.db2.gz BNVFAPZTWKTTDQ-PFSRBDOWSA-N 1 0 284.469 2.698 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1nnc2ccccn21 ZINC000133954085 347894918 /nfs/dbraw/zinc/89/49/18/347894918.db2.gz NIGRNIMYOVEBMV-LSDHHAIUSA-N 1 0 284.407 2.854 50 0 CFAARO C[C@@H](C[NH2+]Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000170086109 348053402 /nfs/dbraw/zinc/05/34/02/348053402.db2.gz CEYFKKOJDNXWKH-GFCCVEGCSA-N 1 0 271.364 2.915 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000170604356 348055669 /nfs/dbraw/zinc/05/56/69/348055669.db2.gz IXDURIQYAZEGOS-YOFIQYCBSA-N 1 0 269.454 2.822 50 0 CFAARO Cc1cc(Cl)ccc1C[NH2+]CC1(O)CCSCC1 ZINC000195565639 348146858 /nfs/dbraw/zinc/14/68/58/348146858.db2.gz WSAHKRRVEKTOKV-UHFFFAOYSA-N 1 0 285.840 2.996 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)CCOCC1 ZINC000195560788 348146932 /nfs/dbraw/zinc/14/69/32/348146932.db2.gz TVMKBKBNVNWSCN-MELADBBJSA-N 1 0 255.402 2.596 50 0 CFAARO [NH3+][C@@H](CC(=O)N1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000225575189 348178142 /nfs/dbraw/zinc/17/81/42/348178142.db2.gz KVNPBOJRHIVWSH-IRXDYDNUSA-N 1 0 286.419 2.738 50 0 CFAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c(F)c1 ZINC000248619876 348275060 /nfs/dbraw/zinc/27/50/60/348275060.db2.gz SQLKLBYKDLMPQA-TYNCELHUSA-N 1 0 294.370 2.618 50 0 CFAARO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000253370339 348300892 /nfs/dbraw/zinc/30/08/92/348300892.db2.gz POALPRIWFLZQLE-TUAOUCFPSA-N 1 0 294.361 2.952 50 0 CFAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)C2CCCC2)CC1 ZINC000409421174 348600337 /nfs/dbraw/zinc/60/03/37/348600337.db2.gz VOZBDRIKBXFGOH-UHFFFAOYSA-N 1 0 275.396 2.854 50 0 CFAARO Fc1cccc(-n2cc(C[NH2+][C@H]3CCCSC3)cn2)c1 ZINC000584895470 348729828 /nfs/dbraw/zinc/72/98/28/348729828.db2.gz SXIREVOXQLJFKQ-AWEZNQCLSA-N 1 0 291.395 2.997 50 0 CFAARO CN(CC[N@H+](C)C1CCCC1)C(=O)CCC(F)(F)F ZINC000584893713 348730067 /nfs/dbraw/zinc/73/00/67/348730067.db2.gz RXFLETBHTOPSRZ-UHFFFAOYSA-N 1 0 280.334 2.662 50 0 CFAARO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]C1(C(C)(C)C)CC1 ZINC000584899607 348732293 /nfs/dbraw/zinc/73/22/93/348732293.db2.gz LUZPWIPLPPYTDP-ZDUSSCGKSA-N 1 0 299.418 2.953 50 0 CFAARO Fc1ccccc1-c1cc(C[NH2+]C2CCOCC2)on1 ZINC000584901346 348732771 /nfs/dbraw/zinc/73/27/71/348732771.db2.gz APZZVJMWNQINFY-UHFFFAOYSA-N 1 0 276.311 2.749 50 0 CFAARO c1ccc2c(c1)CC[C@@H]([NH2+]CCc1nc(C3CC3)no1)C2 ZINC000584902769 348733030 /nfs/dbraw/zinc/73/30/30/348733030.db2.gz ZSGMHQDBMSHBAX-OAHLLOKOSA-N 1 0 283.375 2.637 50 0 CFAARO c1ccc2c(c1)CN(c1ccnc(C3CC3)n1)CCO2 ZINC000585148558 348738201 /nfs/dbraw/zinc/73/82/01/348738201.db2.gz GJIPHFWZCJYQRE-UHFFFAOYSA-N 1 0 267.332 2.753 50 0 CFAARO Cc1ccn2c(C[NH2+]C[C@H]3CCCn4ccnc43)cnc2c1 ZINC000089700818 179848707 /nfs/dbraw/zinc/84/87/07/179848707.db2.gz BCXBGERIIHELOS-CQSZACIVSA-N 1 0 295.390 2.506 50 0 CFAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000089949055 179890259 /nfs/dbraw/zinc/89/02/59/179890259.db2.gz CDQGVPDTFGVGMW-RHSMWYFYSA-N 1 0 299.418 2.905 50 0 CFAARO Cc1c(C[NH2+][C@@H]2CSCCc3ccccc32)cnn1C ZINC000090888201 180053731 /nfs/dbraw/zinc/05/37/31/180053731.db2.gz XDSWPXGFRUMBGJ-MRXNPFEDSA-N 1 0 287.432 2.849 50 0 CFAARO Cc1cccc(C)c1C[NH2+]C[C@@H](O)c1ccncc1 ZINC000091064304 180093332 /nfs/dbraw/zinc/09/33/32/180093332.db2.gz QXFSQSCICUBAOR-MRXNPFEDSA-N 1 0 256.349 2.522 50 0 CFAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc3occc3c1)C2 ZINC000091320864 180133951 /nfs/dbraw/zinc/13/39/51/180133951.db2.gz MNSKYDFCFNJKBL-GDBMZVCRSA-N 1 0 270.376 2.959 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2ccsc2)C1 ZINC000091270333 180118025 /nfs/dbraw/zinc/11/80/25/180118025.db2.gz WBXPQWQRQWOFDG-ZDUSSCGKSA-N 1 0 292.448 2.766 50 0 CFAARO CSCCC[NH2+]Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091289372 180122209 /nfs/dbraw/zinc/12/22/09/180122209.db2.gz HTUQTJDYCDQBSC-UHFFFAOYSA-N 1 0 280.368 2.510 50 0 CFAARO O=C1CC[C@@]2(CCC[N@@H+](CCCCCF)C2)CN1C1CC1 ZINC000091476749 180166308 /nfs/dbraw/zinc/16/63/08/180166308.db2.gz TZZMIISUHALAND-QGZVFWFLSA-N 1 0 296.430 2.993 50 0 CFAARO CCC[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1[NH+](C)C ZINC000091585951 180199685 /nfs/dbraw/zinc/19/96/85/180199685.db2.gz ZCAAMXZOTRRJLB-GJZGRUSLSA-N 1 0 294.464 2.869 50 0 CFAARO c1ccc(C[N@H+]2CC[C@H](CCNc3ncccn3)C2)cc1 ZINC000091636443 180211422 /nfs/dbraw/zinc/21/14/22/180211422.db2.gz GHULXZJSYCXMJS-INIZCTEOSA-N 1 0 282.391 2.801 50 0 CFAARO Cc1ncnc(NCCC[N@@H+](C)C2CCCC2)c1C ZINC000091664887 180221141 /nfs/dbraw/zinc/22/11/41/180221141.db2.gz CXTGCXOAZBYEFM-UHFFFAOYSA-N 1 0 262.401 2.770 50 0 CFAARO Cc1ncnc(NCc2ccccc2C[NH+](C)C)c1C ZINC000091664507 180221350 /nfs/dbraw/zinc/22/13/50/180221350.db2.gz MXLDWJRRTAADNO-UHFFFAOYSA-N 1 0 270.380 2.767 50 0 CFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OC(F)F)C2 ZINC000091768849 180248989 /nfs/dbraw/zinc/24/89/89/180248989.db2.gz JDSWPPRVMAXXAK-GXTWGEPZSA-N 1 0 296.361 2.814 50 0 CFAARO CC(C)c1cc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)on1 ZINC000091738508 180244341 /nfs/dbraw/zinc/24/43/41/180244341.db2.gz SIJMXOLUAIKLFM-HNNXBMFYSA-N 1 0 266.385 2.781 50 0 CFAARO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000091859051 180275217 /nfs/dbraw/zinc/27/52/17/180275217.db2.gz SWDKHLWCGYKQBT-MRXNPFEDSA-N 1 0 281.371 2.819 50 0 CFAARO Cc1ncsc1C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000091960969 180292632 /nfs/dbraw/zinc/29/26/32/180292632.db2.gz YNSNXIOEDSJHRC-DGCLKSJQSA-N 1 0 276.409 2.731 50 0 CFAARO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)[nH]c2c1c(C)ccc2C ZINC000091974299 180296522 /nfs/dbraw/zinc/29/65/22/180296522.db2.gz VXNJKWHWVZCREH-CQSZACIVSA-N 1 0 299.418 2.869 50 0 CFAARO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)[nH]c2c1c(C)ccc2C ZINC000091974298 180297028 /nfs/dbraw/zinc/29/70/28/180297028.db2.gz VXNJKWHWVZCREH-AWEZNQCLSA-N 1 0 299.418 2.869 50 0 CFAARO Cc1nnc(NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)o1 ZINC000092106974 180326250 /nfs/dbraw/zinc/32/62/50/180326250.db2.gz IRLTYNLBEDQAIC-OAHLLOKOSA-N 1 0 286.379 2.670 50 0 CFAARO CS[C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106135172 186104143 /nfs/dbraw/zinc/10/41/43/186104143.db2.gz ZPBLWIULTWRPQZ-UMVBOHGHSA-N 1 0 292.448 2.690 50 0 CFAARO Cc1ccc(N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)nn1 ZINC000106947772 186154960 /nfs/dbraw/zinc/15/49/60/186154960.db2.gz FLLHJUNGTRFGRA-MRXNPFEDSA-N 1 0 288.439 2.732 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000092510809 180398987 /nfs/dbraw/zinc/39/89/87/180398987.db2.gz NAFORWHDHGBEMC-CYBMUJFWSA-N 1 0 266.410 2.581 50 0 CFAARO C[C@@H]1[C@H]([NH2+]CCc2cnn(C)c2)C[C@@H]1c1ccccc1 ZINC000108467414 186218400 /nfs/dbraw/zinc/21/84/00/186218400.db2.gz SYBGXTUVBNOJCY-RRQGHBQHSA-N 1 0 269.392 2.744 50 0 CFAARO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@]2(CCOC2)O1 ZINC000606441095 351270283 /nfs/dbraw/zinc/27/02/83/351270283.db2.gz DWSRFXOTNHZXJG-CUGXLUPKSA-N 1 0 273.376 2.580 50 0 CFAARO COCCN1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000122990337 187064301 /nfs/dbraw/zinc/06/43/01/187064301.db2.gz UKVLOGGORQYKPX-UHFFFAOYSA-N 1 0 290.432 2.665 50 0 CFAARO C[C@@H](CCc1ccccc1)Sc1nc(N)cc(N)[nH+]1 ZINC000048353819 539932541 /nfs/dbraw/zinc/93/25/41/539932541.db2.gz LEDPLMGMZZPVGX-JTQLQIEISA-N 1 0 274.393 2.754 50 0 CFAARO Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000245339293 539978698 /nfs/dbraw/zinc/97/86/98/539978698.db2.gz RTRGTKAPYXMOEE-XIRDDKMYSA-N 1 0 299.418 2.943 50 0 CFAARO CCCc1cc(C(=O)N2CCC[C@H]([NH3+])C2)sc1C ZINC000158087613 188356862 /nfs/dbraw/zinc/35/68/62/188356862.db2.gz LTNKDEGMENSFHP-LBPRGKRZSA-N 1 0 266.410 2.572 50 0 CFAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C1 ZINC000249260118 282911050 /nfs/dbraw/zinc/91/10/50/282911050.db2.gz HNPUGYICPKCVMH-UTUOFQBUSA-N 1 0 287.329 2.978 50 0 CFAARO FC(F)(F)c1cccc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000005886351 282923852 /nfs/dbraw/zinc/92/38/52/282923852.db2.gz BSYJUQDHTDPFMZ-LLVKDONJSA-N 1 0 267.254 2.664 50 0 CFAARO CCc1csc(C[NH2+]C2CSCCSC2)n1 ZINC000823542485 781931172 /nfs/dbraw/zinc/93/11/72/781931172.db2.gz HKNBXUPJBBUPFU-UHFFFAOYSA-N 1 0 274.480 2.644 50 0 CFAARO c1ccc(N2C[C@H]3C[NH+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000585145861 540052105 /nfs/dbraw/zinc/05/21/05/540052105.db2.gz KYGGZWKEYWXJHR-QZTJIDSGSA-N 1 0 293.414 2.692 50 0 CFAARO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)nc1 ZINC000083704998 540183560 /nfs/dbraw/zinc/18/35/60/540183560.db2.gz CKKCVODFYGOXNA-GXTWGEPZSA-N 1 0 279.815 2.794 50 0 CFAARO CNC(=O)C[N@H+](Cc1ccc(C)s1)C1CCCC1 ZINC000244899365 283313473 /nfs/dbraw/zinc/31/34/73/283313473.db2.gz ZIPTXLWMNKSLHU-UHFFFAOYSA-N 1 0 266.410 2.547 50 0 CFAARO O[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)c1ccncc1 ZINC000091402514 540395474 /nfs/dbraw/zinc/39/54/74/540395474.db2.gz BVPKOTPVYHZQNR-IAGOWNOFSA-N 1 0 268.360 2.856 50 0 CFAARO NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000037118463 283384567 /nfs/dbraw/zinc/38/45/67/283384567.db2.gz QFKOROZDWRHETF-QGZVFWFLSA-N 1 0 280.371 2.953 50 0 CFAARO [NH3+]Cc1cc(F)c(Br)cc1Br ZINC000263623107 283527675 /nfs/dbraw/zinc/52/76/75/283527675.db2.gz DSASPWWWJGFDDU-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO C[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000158074306 296014491 /nfs/dbraw/zinc/01/44/91/296014491.db2.gz SURDROQTWMXIDT-KDOFPFPSSA-N 1 0 294.398 2.702 50 0 CFAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccccc1Cl ZINC000037817175 296015363 /nfs/dbraw/zinc/01/53/63/296015363.db2.gz FGYJMUPRLXSXHW-UONOGXRCSA-N 1 0 278.783 2.756 50 0 CFAARO CC1CCC2(CC1)OC[C@H](C[NH2+]C1CCSCC1)O2 ZINC000095991151 540726403 /nfs/dbraw/zinc/72/64/03/540726403.db2.gz RNBSKAKMOHHRQL-BLZCZZARSA-N 1 0 285.453 2.793 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]1CO)CCC2 ZINC000089721567 540718863 /nfs/dbraw/zinc/71/88/63/540718863.db2.gz GCXFZUGVVXTGBW-NTZNESFSSA-N 1 0 266.410 2.580 50 0 CFAARO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000089929864 540719934 /nfs/dbraw/zinc/71/99/34/540719934.db2.gz UBQBIQAGCWLRGA-ZDUSSCGKSA-N 1 0 290.382 2.915 50 0 CFAARO O=C(NC1CCC([NH+]2CCCCC2)CC1)N1CCCC1 ZINC000089819140 540719956 /nfs/dbraw/zinc/71/99/56/540719956.db2.gz WVXSUCIBNRAJGI-UHFFFAOYSA-N 1 0 279.428 2.589 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178492272 189120310 /nfs/dbraw/zinc/12/03/10/189120310.db2.gz ZWDVEAPJHFAIDS-AWEZNQCLSA-N 1 0 283.375 2.635 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178519030 189123347 /nfs/dbraw/zinc/12/33/47/189123347.db2.gz KSMNFSYKOAARMM-LLVKDONJSA-N 1 0 296.798 2.548 50 0 CFAARO Cc1cc2cc(C[NH2+][C@@H]3CCC(=O)N(C)C3)oc2cc1C ZINC000098018566 540884714 /nfs/dbraw/zinc/88/47/14/540884714.db2.gz NECGRFOPFZKVCU-CQSZACIVSA-N 1 0 286.375 2.760 50 0 CFAARO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000180285461 189248311 /nfs/dbraw/zinc/24/83/11/189248311.db2.gz ZLCDMMUNBFIZSD-AWEZNQCLSA-N 1 0 288.370 2.638 50 0 CFAARO Cc1[nH]nc2c1C[N@H+](Cc1cccc3ncccc13)CC2 ZINC000670433906 540992560 /nfs/dbraw/zinc/99/25/60/540992560.db2.gz NOFJVHNMIVDRML-UHFFFAOYSA-N 1 0 278.359 2.825 50 0 CFAARO COc1c(F)cccc1CN1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2 ZINC000670440527 540995870 /nfs/dbraw/zinc/99/58/70/540995870.db2.gz MQGGNQBDOGLHLO-ZFWWWQNUSA-N 1 0 292.398 2.750 50 0 CFAARO COCC[C@@H]1CCC[N@H+](CCCn2cccc2)C1 ZINC000670449740 540998640 /nfs/dbraw/zinc/99/86/40/540998640.db2.gz WXQOZCANFBJADY-HNNXBMFYSA-N 1 0 250.386 2.627 50 0 CFAARO CCCc1cc(C[NH2+][C@@H](C)Cn2nc(C)cc2C)on1 ZINC000670452246 540999925 /nfs/dbraw/zinc/99/99/25/540999925.db2.gz RCVIHXGMHWXPLQ-LBPRGKRZSA-N 1 0 276.384 2.619 50 0 CFAARO CCCc1cc(N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)nc(C)n1 ZINC000670463445 541005181 /nfs/dbraw/zinc/00/51/81/541005181.db2.gz SXRSDTKQTJWHHD-HOCLYGCPSA-N 1 0 288.439 2.658 50 0 CFAARO CC(C)Oc1ccccc1OCC[N@H+](C)C[C@@H]1CCOC1 ZINC000670465638 541006333 /nfs/dbraw/zinc/00/63/33/541006333.db2.gz GDEFRVRVXDDVFD-HNNXBMFYSA-N 1 0 293.407 2.821 50 0 CFAARO C[N@H+](CC[C@H](O)c1ccccc1)CCC1(O)CCCC1 ZINC000670471760 541010213 /nfs/dbraw/zinc/01/02/13/541010213.db2.gz OAOSXJLKYGWBMT-INIZCTEOSA-N 1 0 277.408 2.737 50 0 CFAARO CNC(=O)C[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)s2)C1 ZINC000670472801 541011310 /nfs/dbraw/zinc/01/13/10/541011310.db2.gz KPHDTTONCJWXSC-ZDUSSCGKSA-N 1 0 294.464 2.905 50 0 CFAARO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)on1 ZINC000184557501 189389272 /nfs/dbraw/zinc/38/92/72/189389272.db2.gz TZLKWKBHQHXVSS-CHWSQXEVSA-N 1 0 295.383 2.518 50 0 CFAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC=CC1 ZINC000193798013 189650216 /nfs/dbraw/zinc/65/02/16/189650216.db2.gz KNKKONAIGWZHEL-INIZCTEOSA-N 1 0 284.403 2.591 50 0 CFAARO Cn1cncc1CC[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000459300139 245129012 /nfs/dbraw/zinc/12/90/12/245129012.db2.gz UYMSAUXPIINUHA-UHFFFAOYSA-N 1 0 297.402 2.558 50 0 CFAARO C[C@@H]1C[C@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)[N@@H+]1C ZINC000000000283 371507915 /nfs/dbraw/zinc/50/79/15/371507915.db2.gz QSAVEGSLJISCDF-VHDGCEQUSA-N 1 0 291.391 2.525 50 0 in-man CFAARO COc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1OC ZINC000000173910 371549289 /nfs/dbraw/zinc/54/92/89/371549289.db2.gz WAKRXOCPJKLWAS-AWEZNQCLSA-N 1 0 257.333 2.946 50 0 CFAARO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000000176603 371549599 /nfs/dbraw/zinc/54/95/99/371549599.db2.gz IIJYNMNZMFTBEF-ZDUSSCGKSA-N 1 0 276.380 2.756 50 0 CFAARO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000000445452 371616939 /nfs/dbraw/zinc/61/69/39/371616939.db2.gz YLENMCCPLWMSNC-AWEZNQCLSA-N 1 0 277.408 2.820 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000000237797 371564051 /nfs/dbraw/zinc/56/40/51/371564051.db2.gz SGUNXEIHOGVXFK-MRXNPFEDSA-N 1 0 274.408 2.767 50 0 CFAARO CN1CCC([N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000000240352 371566482 /nfs/dbraw/zinc/56/64/82/371566482.db2.gz VUZNDSGNCJJSOI-UHFFFAOYSA-N 1 0 252.789 2.866 50 0 CFAARO COc1ccc(CC(=O)O[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000000250434 371569765 /nfs/dbraw/zinc/56/97/65/371569765.db2.gz VQXJELAYBFYCMM-CQSZACIVSA-N 1 0 291.391 2.655 50 0 CFAARO CCC[N@H+](CCO)Cc1ccc(F)c(Br)c1 ZINC000000278994 371576156 /nfs/dbraw/zinc/57/61/56/371576156.db2.gz UHYCIVZZCRRYBX-UHFFFAOYSA-N 1 0 290.176 2.793 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2ccccc2OCC)CC1 ZINC000000293904 371579952 /nfs/dbraw/zinc/57/99/52/371579952.db2.gz PGUAJDIISCTHHZ-UHFFFAOYSA-N 1 0 291.391 2.860 50 0 CFAARO O=C(O[C@@H]1C[NH+]2CCC1CC2)c1cccc(Cl)c1 ZINC000000317135 371585733 /nfs/dbraw/zinc/58/57/33/371585733.db2.gz DFNQCAZXMFUWAM-CYBMUJFWSA-N 1 0 265.740 2.591 50 0 CFAARO C[C@@H]([NH3+])Cc1ccccc1[S@](=O)c1ccccc1 ZINC000000347807 371591108 /nfs/dbraw/zinc/59/11/08/371591108.db2.gz UKJQLHNCSHSGGK-XIKOKIGWSA-N 1 0 259.374 2.743 50 0 CFAARO COc1cccc(C(=O)O[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000000375661 371598678 /nfs/dbraw/zinc/59/86/78/371598678.db2.gz IUXSRSZLONIJHD-ZDUSSCGKSA-N 1 0 277.364 2.726 50 0 CFAARO Cc1ccc(NC(=O)OCC[NH+](C)C)cc1Cl ZINC000000395376 371603736 /nfs/dbraw/zinc/60/37/36/371603736.db2.gz HJFVQVJNXWQVBM-UHFFFAOYSA-N 1 0 256.733 2.759 50 0 CFAARO C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccccc1 ZINC000000392588 371604141 /nfs/dbraw/zinc/60/41/41/371604141.db2.gz OYIQBJVQPZHJHK-HUUCEWRRSA-N 1 0 261.365 2.964 50 0 CFAARO CCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000000525871 371635238 /nfs/dbraw/zinc/63/52/38/371635238.db2.gz YZOFFOOGEUJNQN-DZGCQCFKSA-N 1 0 258.365 2.539 50 0 CFAARO C1CN(C2CC[NH+](C3CCCCCC3)CC2)CCO1 ZINC000000547020 371638365 /nfs/dbraw/zinc/63/83/65/371638365.db2.gz OJCREYZMMHNZLK-UHFFFAOYSA-N 1 0 266.429 2.506 50 0 CFAARO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000000758720 371648682 /nfs/dbraw/zinc/64/86/82/371648682.db2.gz BITBGINDMVZMSC-CABCVRRESA-N 1 0 251.345 2.915 50 0 CFAARO Cc1ccc(OCC(=O)O[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000000787293 371648929 /nfs/dbraw/zinc/64/89/29/371648929.db2.gz TVQLHPKWVXDDCN-OAHLLOKOSA-N 1 0 291.391 2.791 50 0 CFAARO COc1ccc(CC[NH2+]Cc2cccc(O)c2)cc1OC ZINC000001767545 371706639 /nfs/dbraw/zinc/70/66/39/371706639.db2.gz JAGJFVZLYLMWBF-UHFFFAOYSA-N 1 0 287.359 2.742 50 0 CFAARO COc1ccc(/C=C/C(=O)OCC[N@H+](C)C(C)(C)C)cc1 ZINC000001862127 371710406 /nfs/dbraw/zinc/71/04/06/371710406.db2.gz SNDHSZQLNXKMTR-DHZHZOJOSA-N 1 0 291.391 2.982 50 0 CFAARO CCCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000002184705 371718296 /nfs/dbraw/zinc/71/82/96/371718296.db2.gz XZEQMSOWOSOIIA-UHFFFAOYSA-N 1 0 253.342 2.602 50 0 CFAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccccc1OC ZINC000002180641 371718579 /nfs/dbraw/zinc/71/85/79/371718579.db2.gz JEIXOKIFTKWIFZ-GFCCVEGCSA-N 1 0 265.353 2.582 50 0 CFAARO CC[NH+](CC)CCOC(=O)Nc1cc(C)ccc1OC ZINC000002171807 371718785 /nfs/dbraw/zinc/71/87/85/371718785.db2.gz OCQDRDMRPDUCFO-UHFFFAOYSA-N 1 0 280.368 2.894 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000002388716 371726276 /nfs/dbraw/zinc/72/62/76/371726276.db2.gz KKCDJKPEBVZDHO-BBRMVZONSA-N 1 0 297.826 2.949 50 0 CFAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH2+]C1CCCC1 ZINC000002871493 371760931 /nfs/dbraw/zinc/76/09/31/371760931.db2.gz WXWWENYFSXWZKH-CQSZACIVSA-N 1 0 283.799 2.920 50 0 CFAARO C[N@H+](CCOC(=O)c1ccccc1F)C(C)(C)C ZINC000002927504 371765553 /nfs/dbraw/zinc/76/55/53/371765553.db2.gz PRGPBFOMMAKIFI-UHFFFAOYSA-N 1 0 253.317 2.713 50 0 CFAARO CCCC[NH2+]CCOCCOc1cccc(C)c1 ZINC000002980651 371766302 /nfs/dbraw/zinc/76/63/02/371766302.db2.gz DOUJYFFKRXUXGQ-UHFFFAOYSA-N 1 0 251.370 2.780 50 0 CFAARO CC(C)[NH2+]CCOCCOc1cccc(Cl)c1 ZINC000002981073 371766981 /nfs/dbraw/zinc/76/69/81/371766981.db2.gz PBDJUSDVEROYSR-UHFFFAOYSA-N 1 0 257.761 2.733 50 0 CFAARO CCCC[NH2+]CCOCCOc1ccc(OCC)cc1 ZINC000003003936 371768884 /nfs/dbraw/zinc/76/88/84/371768884.db2.gz XSSIFEFYDUAIRW-UHFFFAOYSA-N 1 0 281.396 2.870 50 0 CFAARO CC(C)(C)[NH2+]CC(=O)Nc1ccc(F)cc1Cl ZINC000003325971 371790832 /nfs/dbraw/zinc/79/08/32/371790832.db2.gz KGXJXTHZYCQJGC-UHFFFAOYSA-N 1 0 258.724 2.806 50 0 CFAARO COc1ccc(/C=C/c2cccc[n+]2C)c(OC)c1 ZINC000004118326 371833989 /nfs/dbraw/zinc/83/39/89/371833989.db2.gz CPPVRICPGWZWCQ-VQHVLOKHSA-N 1 0 256.325 2.699 50 0 CFAARO OCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000004112178 371834646 /nfs/dbraw/zinc/83/46/46/371834646.db2.gz UERCSLZWQCHLKU-UHFFFAOYSA-N 1 0 256.349 2.908 50 0 CFAARO Cc1ccc2c(c1)S/C(=C/c1ccc[n+](CCO)c1)N2C ZINC000003639832 371814304 /nfs/dbraw/zinc/81/43/04/371814304.db2.gz YIZLTLDAYCAPEX-GZTJUZNOSA-N 1 0 299.419 2.815 50 0 CFAARO Cc1[nH+]c2cc(NCc3ccncc3)ccc2n1C ZINC000004384587 371852937 /nfs/dbraw/zinc/85/29/37/371852937.db2.gz CHAVYWGAIGSGRI-UHFFFAOYSA-N 1 0 252.321 2.889 50 0 CFAARO O=C(NCC[NH2+]Cc1ccc(Cl)cc1)c1cccs1 ZINC000004498096 371858796 /nfs/dbraw/zinc/85/87/96/371858796.db2.gz TVYDIHMBULDIJS-UHFFFAOYSA-N 1 0 294.807 2.921 50 0 CFAARO COc1ccccc1NC(=O)OC[C@@H]1CCCC[N@@H+]1C ZINC000004566633 371864504 /nfs/dbraw/zinc/86/45/04/371864504.db2.gz FXRAYLUFYVJHQO-LBPRGKRZSA-N 1 0 278.352 2.728 50 0 CFAARO CCc1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000004990370 371878041 /nfs/dbraw/zinc/87/80/41/371878041.db2.gz ZIWGGCSBKSRYGW-MRXNPFEDSA-N 1 0 277.408 2.721 50 0 CFAARO CC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000004192322 371840067 /nfs/dbraw/zinc/84/00/67/371840067.db2.gz AXQKWRMPCYVYQL-BBRMVZONSA-N 1 0 291.391 2.503 50 0 CFAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](C)C1 ZINC000012003427 371941114 /nfs/dbraw/zinc/94/11/14/371941114.db2.gz QIUWVFYPCZAVEC-KRWDZBQOSA-N 1 0 291.391 2.731 50 0 CFAARO Cc1ccc(NC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000012404756 371961413 /nfs/dbraw/zinc/96/14/13/371961413.db2.gz WQIOOAWQEFWJAJ-SNVBAGLBSA-N 1 0 269.186 2.921 50 0 CFAARO O=C1C[C@H]([NH2+]Cc2ccoc2)CN1CCCc1ccccc1 ZINC000012430603 371962166 /nfs/dbraw/zinc/96/21/66/371962166.db2.gz XHCUIYCSWVCADP-KRWDZBQOSA-N 1 0 298.386 2.603 50 0 CFAARO CC(C)[NH+]1CCC(CNC(=O)c2cccc(F)c2)CC1 ZINC000012442764 371965515 /nfs/dbraw/zinc/96/55/15/371965515.db2.gz UJFGWRWQDWLGNO-UHFFFAOYSA-N 1 0 278.371 2.676 50 0 CFAARO CC[NH+]1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000012230054 371949817 /nfs/dbraw/zinc/94/98/17/371949817.db2.gz MGFQXZJVMWYALH-UHFFFAOYSA-N 1 0 283.347 2.716 50 0 CFAARO C[N@H+](CC(=O)NCc1ccccc1)C1CCCCC1 ZINC000013323121 372023435 /nfs/dbraw/zinc/02/34/35/372023435.db2.gz MIYBENHZBNEOLJ-UHFFFAOYSA-N 1 0 260.381 2.567 50 0 CFAARO Cc1cccc2cc(C[NH2+]CCCO)c(Cl)nc12 ZINC000013535470 372031283 /nfs/dbraw/zinc/03/12/83/372031283.db2.gz CWOLMRXPEPEQJM-UHFFFAOYSA-N 1 0 264.756 2.669 50 0 CFAARO C[NH+](C)Cc1ccccc1Sc1ccc(CO)cc1N ZINC000013646007 372038119 /nfs/dbraw/zinc/03/81/19/372038119.db2.gz IAGCXXVAWFKIDP-UHFFFAOYSA-N 1 0 288.416 2.974 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+]CCCCCO ZINC000013727072 372045031 /nfs/dbraw/zinc/04/50/31/372045031.db2.gz AZGHYQAOZRBVJK-UHFFFAOYSA-N 1 0 271.788 2.991 50 0 CFAARO Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cc[nH+]cc1 ZINC000013748814 372048090 /nfs/dbraw/zinc/04/80/90/372048090.db2.gz PAOWMUJXGOUFQL-JYRVWZFOSA-N 1 0 299.355 2.813 50 0 CFAARO Cc1cc(NC(=O)[C@H]([NH2+]C(C)C)c2ccccc2)no1 ZINC000012986770 372008265 /nfs/dbraw/zinc/00/82/65/372008265.db2.gz WQHDTFDKPYAJLV-CQSZACIVSA-N 1 0 273.336 2.661 50 0 CFAARO Cc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000014166957 372059418 /nfs/dbraw/zinc/05/94/18/372059418.db2.gz HRJCXMWVWMLKLR-UHFFFAOYSA-N 1 0 275.396 2.993 50 0 CFAARO CC[NH+]1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 ZINC000013110563 372014601 /nfs/dbraw/zinc/01/46/01/372014601.db2.gz WFODIYJKQCZWFD-VOTSOKGWSA-N 1 0 296.773 2.656 50 0 CFAARO C[C@@H]1C[N@@H+](CCSc2ccccc2)C[C@H](C)O1 ZINC000016489410 372108649 /nfs/dbraw/zinc/10/86/49/372108649.db2.gz PUEXDBWZCWWBQD-BETUJISGSA-N 1 0 251.395 2.888 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000016604175 372112792 /nfs/dbraw/zinc/11/27/92/372112792.db2.gz IRPKVJFIIWNBSR-UHFFFAOYSA-N 1 0 266.772 2.554 50 0 CFAARO O=C(Nc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016606200 372113616 /nfs/dbraw/zinc/11/36/16/372113616.db2.gz IXXHKHYCMBZJFP-UHFFFAOYSA-N 1 0 295.386 2.932 50 0 CFAARO CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000016607432 372114887 /nfs/dbraw/zinc/11/48/87/372114887.db2.gz RKWCJUFCCBXSJD-UHFFFAOYSA-N 1 0 278.371 2.564 50 0 CFAARO COc1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000016662610 372115664 /nfs/dbraw/zinc/11/56/64/372115664.db2.gz NJFPPZNECNORBX-KRWDZBQOSA-N 1 0 271.360 2.861 50 0 CFAARO Brc1cccc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000014631195 372072475 /nfs/dbraw/zinc/07/24/75/372072475.db2.gz BDBVYJWDKIYXOT-JTQLQIEISA-N 1 0 270.170 2.828 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000015906121 372094198 /nfs/dbraw/zinc/09/41/98/372094198.db2.gz SPIIONDFFFARTK-IIAWOOMASA-N 1 0 295.398 2.681 50 0 CFAARO Cn1c(C[NH2+]Cc2cccnc2)cc2ccccc21 ZINC000016941695 372120847 /nfs/dbraw/zinc/12/08/47/372120847.db2.gz XSHUPXCAYYEEAJ-UHFFFAOYSA-N 1 0 251.333 2.863 50 0 CFAARO CCOc1cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)ccc1O ZINC000015955514 372096140 /nfs/dbraw/zinc/09/61/40/372096140.db2.gz FJRAFGQYLIQWHC-RRQGHBQHSA-N 1 0 291.391 2.747 50 0 CFAARO CN(C(=O)Nc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000018174950 372143165 /nfs/dbraw/zinc/14/31/65/372143165.db2.gz BLVJEIQLWGTTKM-UHFFFAOYSA-N 1 0 281.787 2.898 50 0 CFAARO Cc1ccccc1COc1cccc(N2CC[NH2+]CC2)c1 ZINC000019688531 372180504 /nfs/dbraw/zinc/18/05/04/372180504.db2.gz RCLLHVJQXBOSFZ-UHFFFAOYSA-N 1 0 282.387 2.984 50 0 CFAARO Cc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000019368149 372158244 /nfs/dbraw/zinc/15/82/44/372158244.db2.gz QUGVCWCBBPRKJL-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNCc1ccccc1Cl ZINC000019369214 372158432 /nfs/dbraw/zinc/15/84/32/372158432.db2.gz RWEKAEFOBTXOND-CYBMUJFWSA-N 1 0 252.789 2.914 50 0 CFAARO CSc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019574064 372173728 /nfs/dbraw/zinc/17/37/28/372173728.db2.gz ZINMQQDEGZXEHA-OAHLLOKOSA-N 1 0 262.422 2.592 50 0 CFAARO CCc1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000019642990 372178257 /nfs/dbraw/zinc/17/82/57/372178257.db2.gz XUTHVGUGPPIPQI-UHFFFAOYSA-N 1 0 263.381 2.740 50 0 CFAARO CC[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000019608883 372179088 /nfs/dbraw/zinc/17/90/88/372179088.db2.gz ITIWMMANTTWFFP-UHFFFAOYSA-N 1 0 288.313 2.723 50 0 CFAARO C[C@@H]([NH2+]CCc1ccccn1)c1nc2ccccc2n1C ZINC000019916828 372210105 /nfs/dbraw/zinc/21/01/05/372210105.db2.gz UTAJOFMQECIBJY-CYBMUJFWSA-N 1 0 280.375 2.862 50 0 CFAARO c1ccc(CC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000019919992 372211813 /nfs/dbraw/zinc/21/18/13/372211813.db2.gz FVQJUBZTZDYJQP-UHFFFAOYSA-N 1 0 261.365 2.504 50 0 CFAARO CCCOc1ccc(Br)cc1C[NH2+]C ZINC000019776891 372186564 /nfs/dbraw/zinc/18/65/64/372186564.db2.gz PYGSIPRBXKMWKE-UHFFFAOYSA-N 1 0 258.159 2.957 50 0 CFAARO O=C(Cc1ccccc1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019790058 372187839 /nfs/dbraw/zinc/18/78/39/372187839.db2.gz ZONZVGRQOSCENA-SFHVURJKSA-N 1 0 298.430 2.730 50 0 CFAARO CC[NH+]1CCN(Cc2[nH]c(-c3ccccc3)nc2C)CC1 ZINC000019792527 372188188 /nfs/dbraw/zinc/18/81/88/372188188.db2.gz JUSDYPSLAHVTNX-UHFFFAOYSA-N 1 0 284.407 2.523 50 0 CFAARO C[N@@H+]1CC[C@@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000019840084 372198086 /nfs/dbraw/zinc/19/80/86/372198086.db2.gz MJZGTWQPUUIFLH-CYBMUJFWSA-N 1 0 283.375 2.959 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)c1ccc(C(C)(C)C)cc1 ZINC000019900097 372204412 /nfs/dbraw/zinc/20/44/12/372204412.db2.gz RBNGVYCZXDLJSJ-DOMZBBRYSA-N 1 0 295.448 2.822 50 0 CFAARO COc1ccc(CC[C@@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000023283535 372258017 /nfs/dbraw/zinc/25/80/17/372258017.db2.gz MERNAJWNUJJESS-IUDNXUCKSA-N 1 0 277.408 2.909 50 0 CFAARO Cc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)c(C)c1 ZINC000023471806 372260639 /nfs/dbraw/zinc/26/06/39/372260639.db2.gz RUNNMQWVTBLAMJ-WBVHZDCISA-N 1 0 258.409 2.972 50 0 CFAARO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)on1 ZINC000024115709 372272445 /nfs/dbraw/zinc/27/24/45/372272445.db2.gz HSXQFOVJSLLGLE-UHFFFAOYSA-N 1 0 299.374 2.509 50 0 CFAARO C[C@@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115242 372273183 /nfs/dbraw/zinc/27/31/83/372273183.db2.gz FTGHRDKOCPMFJV-CJNGLKHVSA-N 1 0 272.392 2.555 50 0 CFAARO C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)CC[NH3+] ZINC000237572422 189882356 /nfs/dbraw/zinc/88/23/56/189882356.db2.gz AQIIAAKTMUTEMA-GHMZBOCLSA-N 1 0 268.788 2.639 50 0 CFAARO Cc1ccnc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000028233618 372360179 /nfs/dbraw/zinc/36/01/79/372360179.db2.gz AJKBENAHTUZKTB-MRXNPFEDSA-N 1 0 295.386 2.993 50 0 CFAARO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000026462946 372322522 /nfs/dbraw/zinc/32/25/22/372322522.db2.gz JBIYMCXLWIRUIV-HNNXBMFYSA-N 1 0 274.408 2.876 50 0 CFAARO O=C(CCC1CCCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932653 372353202 /nfs/dbraw/zinc/35/32/02/372353202.db2.gz AHIGYCUYHPZAMQ-HNNXBMFYSA-N 1 0 264.413 2.654 50 0 CFAARO Cc1ccsc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000030908727 372401439 /nfs/dbraw/zinc/40/14/39/372401439.db2.gz AAZVITNDYBVRJJ-LBPRGKRZSA-N 1 0 261.394 2.957 50 0 CFAARO O=[S@](CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000032932791 372478068 /nfs/dbraw/zinc/47/80/68/372478068.db2.gz NNECKMJVTMTPIY-FQEVSTJZSA-N 1 0 285.412 2.853 50 0 CFAARO O=[S@@](CC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000032932790 372478174 /nfs/dbraw/zinc/47/81/74/372478174.db2.gz NNECKMJVTMTPIY-HXUWFJFHSA-N 1 0 285.412 2.853 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000032513522 372441174 /nfs/dbraw/zinc/44/11/74/372441174.db2.gz QMRRBNFRIZQSJE-UHFFFAOYSA-N 1 0 292.379 2.565 50 0 CFAARO [NH3+]CCCCCn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000032580965 372445620 /nfs/dbraw/zinc/44/56/20/372445620.db2.gz HLHWXUDPTHCYPR-UHFFFAOYSA-N 1 0 299.296 2.544 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)C2CC2)ccc1Cl ZINC000032597611 372447426 /nfs/dbraw/zinc/44/74/26/372447426.db2.gz FFPIEKXCBNEKRO-WCQYABFASA-N 1 0 283.799 2.776 50 0 CFAARO Cc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000032863548 372470386 /nfs/dbraw/zinc/47/03/86/372470386.db2.gz DKAFUWFDTQXINB-UHFFFAOYSA-N 1 0 291.439 2.913 50 0 CFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCCC1)NC1CC1 ZINC000036075796 372556540 /nfs/dbraw/zinc/55/65/40/372556540.db2.gz RUBLCUVIYPFHLN-CQSZACIVSA-N 1 0 291.395 2.658 50 0 CFAARO COc1ccc([C@H](C)[NH2+]C2CCOCC2)cc1F ZINC000036319339 372571833 /nfs/dbraw/zinc/57/18/33/372571833.db2.gz KWNBMBDVKYQINC-JTQLQIEISA-N 1 0 253.317 2.664 50 0 CFAARO CN(Cc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000036301379 372571917 /nfs/dbraw/zinc/57/19/17/372571917.db2.gz OCJAKFGLDBXOSM-UHFFFAOYSA-N 1 0 272.314 2.889 50 0 CFAARO COc1cccc2cc([C@@H](C)[NH2+]CC(=O)NC(C)C)oc21 ZINC000036781476 372591799 /nfs/dbraw/zinc/59/17/99/372591799.db2.gz UFGIKTMBNFOMAG-LLVKDONJSA-N 1 0 290.363 2.617 50 0 CFAARO CC[C@H]([NH2+]CC(=O)NC(C)C)c1cccc(Cl)c1 ZINC000036781600 372593922 /nfs/dbraw/zinc/59/39/22/372593922.db2.gz TZZXMPIQPSGBSG-ZDUSSCGKSA-N 1 0 268.788 2.905 50 0 CFAARO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000037020914 372635820 /nfs/dbraw/zinc/63/58/20/372635820.db2.gz VXYGDOHMIGHOGC-HTQZYQBOSA-N 1 0 260.790 2.706 50 0 CFAARO CC[NH+]1CCC(Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000037104674 372649499 /nfs/dbraw/zinc/64/94/99/372649499.db2.gz GIIYLCYLSFAOKG-UHFFFAOYSA-N 1 0 270.380 2.973 50 0 CFAARO Cc1n[nH]c(C)c1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000036864552 372603650 /nfs/dbraw/zinc/60/36/50/372603650.db2.gz JITUYWSRSQSUIA-UHFFFAOYSA-N 1 0 286.423 2.638 50 0 CFAARO C[NH+]1CCN(c2cc(O)c(Cl)c3ccccc32)CC1 ZINC000038536752 372775856 /nfs/dbraw/zinc/77/58/56/372775856.db2.gz XROWPYCNFTYWDZ-UHFFFAOYSA-N 1 0 276.767 2.951 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccccc1F ZINC000040267440 372782960 /nfs/dbraw/zinc/78/29/60/372782960.db2.gz ZECYVONKCZAGLN-WBVHZDCISA-N 1 0 282.318 2.750 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730318 372784481 /nfs/dbraw/zinc/78/44/81/372784481.db2.gz DHNDJOLYCNCFTQ-CYBMUJFWSA-N 1 0 271.788 2.988 50 0 CFAARO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000041028452 372805047 /nfs/dbraw/zinc/80/50/47/372805047.db2.gz TZXZOVYFEVARAV-CQSZACIVSA-N 1 0 260.381 2.547 50 0 CFAARO Cn1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1=O ZINC000042113036 372874349 /nfs/dbraw/zinc/87/43/49/372874349.db2.gz JUCLCZNTAPICLQ-QGZVFWFLSA-N 1 0 282.387 2.592 50 0 CFAARO c1[nH]nc(-c2ccccc2)c1C[NH2+]CCN1CCCCC1 ZINC000042203530 372883880 /nfs/dbraw/zinc/88/38/80/372883880.db2.gz YEPWLFYRTLRMKE-UHFFFAOYSA-N 1 0 284.407 2.652 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccn1)c1cccs1 ZINC000043144417 372977611 /nfs/dbraw/zinc/97/76/11/372977611.db2.gz ZWOYVDSEBWPCLX-LLVKDONJSA-N 1 0 290.392 2.568 50 0 CFAARO Clc1ccc(OC[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000042771418 372954375 /nfs/dbraw/zinc/95/43/75/372954375.db2.gz OQOYAEYBFNVTQM-SNVBAGLBSA-N 1 0 262.740 2.877 50 0 CFAARO Clc1cc(Cl)c(OC2C[NH2+]C2)cc1Cl ZINC000042769861 372954924 /nfs/dbraw/zinc/95/49/24/372954924.db2.gz RTLKXDHOHLANTD-UHFFFAOYSA-N 1 0 252.528 2.997 50 0 CFAARO c1ccc(CC[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000043258152 372985257 /nfs/dbraw/zinc/98/52/57/372985257.db2.gz SDGQUKCSRJGZHQ-UHFFFAOYSA-N 1 0 251.333 2.895 50 0 CFAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000046878904 373067557 /nfs/dbraw/zinc/06/75/57/373067557.db2.gz WUIRKBBSNUUAPK-NSHDSACASA-N 1 0 298.789 2.941 50 0 CFAARO O=C(N[C@@H]1CCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000048283670 373158609 /nfs/dbraw/zinc/15/86/09/373158609.db2.gz SSGPKZNKRYXDDM-QGZVFWFLSA-N 1 0 299.418 2.600 50 0 CFAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccnc1 ZINC000048965038 373241016 /nfs/dbraw/zinc/24/10/16/373241016.db2.gz KEHUWSJPNWQOTH-UHFFFAOYSA-N 1 0 277.412 2.522 50 0 CFAARO CC[NH+](CC)CC1CCN(C(=O)Cc2cccs2)CC1 ZINC000049078597 373263880 /nfs/dbraw/zinc/26/38/80/373263880.db2.gz RGMVMMBBRZCTDJ-UHFFFAOYSA-N 1 0 294.464 2.871 50 0 CFAARO c1cnc(-c2noc(C3C[NH+](CC4CCCCC4)C3)n2)cn1 ZINC000049485501 373304383 /nfs/dbraw/zinc/30/43/83/373304383.db2.gz XXVDOZBXGHNHAL-UHFFFAOYSA-N 1 0 299.378 2.506 50 0 CFAARO CC[N@H+](CC(=O)NC(C)(C)C)Cc1cccc2cccnc21 ZINC000025808336 284393228 /nfs/dbraw/zinc/39/32/28/284393228.db2.gz IQPLZSXUXGAJFS-UHFFFAOYSA-N 1 0 299.418 2.971 50 0 CFAARO CC(C)[N@H+](CCO)Cc1cc(F)cc2cccnc21 ZINC000050103797 373351860 /nfs/dbraw/zinc/35/18/60/373351860.db2.gz XANTVVZFNTZCPL-UHFFFAOYSA-N 1 0 262.328 2.577 50 0 CFAARO O[C@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000051203943 373387679 /nfs/dbraw/zinc/38/76/79/373387679.db2.gz APSLGOSPINEBCH-LBPRGKRZSA-N 1 0 276.767 2.845 50 0 CFAARO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H]2CCOC2)c(C)c1 ZINC000051589653 373401675 /nfs/dbraw/zinc/40/16/75/373401675.db2.gz VYBFZPMVLGAQIQ-OAHLLOKOSA-N 1 0 290.407 2.519 50 0 CFAARO CC(C)C[NH+](CC(C)C)CN1C(=O)c2ccccc2C1=O ZINC000054201863 373504168 /nfs/dbraw/zinc/50/41/68/373504168.db2.gz IJWSDYJCAYOQTF-UHFFFAOYSA-N 1 0 288.391 2.854 50 0 CFAARO C[NH2+]CCCNCc1c(OC)ccc2ccccc21 ZINC000057234777 373584413 /nfs/dbraw/zinc/58/44/13/373584413.db2.gz NDQQOTOSDVYPJH-UHFFFAOYSA-N 1 0 258.365 2.548 50 0 CFAARO COCCC[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000057353278 373589567 /nfs/dbraw/zinc/58/95/67/373589567.db2.gz JVTBVVMMPOSAGI-UHFFFAOYSA-N 1 0 288.395 2.652 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCn1ccc2ccccc21 ZINC000055208668 373544026 /nfs/dbraw/zinc/54/40/26/373544026.db2.gz PYZQDWAOWWHKFK-INIZCTEOSA-N 1 0 299.418 2.632 50 0 CFAARO C[C@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000055420890 373552441 /nfs/dbraw/zinc/55/24/41/373552441.db2.gz XHSUXBNTECAPJX-ZDUSSCGKSA-N 1 0 254.333 2.803 50 0 CFAARO COC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000056908329 373573638 /nfs/dbraw/zinc/57/36/38/373573638.db2.gz GKWRJFGLFSVXCR-GFCCVEGCSA-N 1 0 296.798 2.637 50 0 CFAARO C[C@H]1CCC[C@@](CNC(=O)Nc2cccnc2)([NH+](C)C)C1 ZINC000058055742 373625485 /nfs/dbraw/zinc/62/54/85/373625485.db2.gz SIJGSXDRQNKOMV-XJKSGUPXSA-N 1 0 290.411 2.714 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)C1CCCC1)c1ccco1 ZINC000058172587 373630119 /nfs/dbraw/zinc/63/01/19/373630119.db2.gz YSMIMPPHYBSAKT-CQSZACIVSA-N 1 0 278.396 2.969 50 0 CFAARO CCO[C@@H](C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058294507 373642376 /nfs/dbraw/zinc/64/23/76/373642376.db2.gz SHGOTLNICWTEKY-AWEZNQCLSA-N 1 0 296.455 2.572 50 0 CFAARO CC[N@H+](C)Cc1cccc(CNC(=O)C2CCCC2)c1 ZINC000058325774 373644792 /nfs/dbraw/zinc/64/47/92/373644792.db2.gz BFGPOSIPPCJQAO-UHFFFAOYSA-N 1 0 274.408 2.945 50 0 CFAARO O=C(c1ccc(F)cc1F)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058392920 373653170 /nfs/dbraw/zinc/65/31/70/373653170.db2.gz ILYYHGGSHRNVTK-ZDUSSCGKSA-N 1 0 294.345 2.665 50 0 CFAARO COc1c(C[NH2+][C@@H]2CCc3ccccc32)c(C)nn1C ZINC000058393346 373654756 /nfs/dbraw/zinc/65/47/56/373654756.db2.gz MOMVZKVNQIEKRW-OAHLLOKOSA-N 1 0 271.364 2.514 50 0 CFAARO O=C(C[NH+]1CCCCCC1)NCCc1ccc(Cl)cc1 ZINC000057827221 373614723 /nfs/dbraw/zinc/61/47/23/373614723.db2.gz OIEACDVFOHRSDQ-UHFFFAOYSA-N 1 0 294.826 2.875 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(Cl)s1 ZINC000058418997 373656888 /nfs/dbraw/zinc/65/68/88/373656888.db2.gz CFKVFVYLSGAIGM-UHFFFAOYSA-N 1 0 298.843 2.799 50 0 CFAARO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)ccc1N ZINC000059233826 373679143 /nfs/dbraw/zinc/67/91/43/373679143.db2.gz FPOQNYSKBIUUSE-UHFFFAOYSA-N 1 0 281.403 2.899 50 0 CFAARO CC[C@H](c1ccccc1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000060876600 373706535 /nfs/dbraw/zinc/70/65/35/373706535.db2.gz ULBPDDAQHATAGP-MRXNPFEDSA-N 1 0 287.407 2.627 50 0 CFAARO [NH3+]C[C@@H](C(=O)N1CCCCCCC1)c1ccccc1 ZINC000061611043 373721672 /nfs/dbraw/zinc/72/16/72/373721672.db2.gz ZSWZRCGGLHYUQX-OAHLLOKOSA-N 1 0 260.381 2.522 50 0 CFAARO COCC1(NC(=O)CC[NH+]2CCCCCCC2)CCCC1 ZINC000063856501 373816392 /nfs/dbraw/zinc/81/63/92/373816392.db2.gz NATTWZCBBTXPEL-UHFFFAOYSA-N 1 0 296.455 2.718 50 0 CFAARO Cc1cc(C[NH2+]CCc2nccs2)ccc1F ZINC000063133925 373786232 /nfs/dbraw/zinc/78/62/32/373786232.db2.gz HNNMUZCJBHRBGB-UHFFFAOYSA-N 1 0 250.342 2.923 50 0 CFAARO COc1ccccc1CCC[NH2+][C@@H]1CCSC1 ZINC000065495508 373879771 /nfs/dbraw/zinc/87/97/71/373879771.db2.gz LUGQSNONBJCPEH-CYBMUJFWSA-N 1 0 251.395 2.723 50 0 CFAARO C[C@H](Cc1cccs1)[NH2+]CCC(=O)Nc1nccs1 ZINC000065525924 373881343 /nfs/dbraw/zinc/88/13/43/373881343.db2.gz LAAHIUCEUKVXLL-SNVBAGLBSA-N 1 0 295.433 2.754 50 0 CFAARO CCN(Cc1ccccc1)C(=O)CC[NH2+]C1CC=CC1 ZINC000065525814 373881497 /nfs/dbraw/zinc/88/14/97/373881497.db2.gz WNTOUNLOHOTAEX-UHFFFAOYSA-N 1 0 272.392 2.733 50 0 CFAARO CCCc1cnc(C)nc1N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000065530898 373884561 /nfs/dbraw/zinc/88/45/61/373884561.db2.gz RHEQCUJJHUTHIO-ZDUSSCGKSA-N 1 0 288.439 2.801 50 0 CFAARO CCCSCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000065604016 373894099 /nfs/dbraw/zinc/89/40/99/373894099.db2.gz RPIQNXMXVBVUQF-UHFFFAOYSA-N 1 0 294.464 2.898 50 0 CFAARO Cc1cc(C(=O)N2CCCCCC2)c(C)n1CC[NH+](C)C ZINC000065178076 373848702 /nfs/dbraw/zinc/84/87/02/373848702.db2.gz RXYFGYDRAIHRBH-UHFFFAOYSA-N 1 0 291.439 2.683 50 0 CFAARO CCn1ccc2c1cccc2C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000065395323 373863917 /nfs/dbraw/zinc/86/39/17/373863917.db2.gz YZMILIZOYOXADQ-CABCVRRESA-N 1 0 297.402 2.514 50 0 CFAARO Cc1ccc(F)cc1C[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC000065385656 373863965 /nfs/dbraw/zinc/86/39/65/373863965.db2.gz FCCMTYFADMTITB-ZDUSSCGKSA-N 1 0 292.398 2.872 50 0 CFAARO CCCc1cc(NC[C@@]2([NH+](C)C)CCSC2)nc(C)n1 ZINC000065398456 373866363 /nfs/dbraw/zinc/86/63/63/373866363.db2.gz RQGPZMNCTNGHLC-HNNXBMFYSA-N 1 0 294.468 2.587 50 0 CFAARO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1ccc(CO)o1 ZINC000065408413 373868179 /nfs/dbraw/zinc/86/81/79/373868179.db2.gz NCAUHPLWAQDLGM-CYBMUJFWSA-N 1 0 274.364 2.538 50 0 CFAARO Cn1ccnc1C[N@H+](C[C@@H]1CCOC(C)(C)C1)C1CC1 ZINC000065433087 373870531 /nfs/dbraw/zinc/87/05/31/373870531.db2.gz STJQVIXNGIGYBC-CYBMUJFWSA-N 1 0 277.412 2.590 50 0 CFAARO CC[C@@H](C(=O)NCC1=CCC[N@H+](C)C1)c1ccccc1 ZINC000065423581 373871372 /nfs/dbraw/zinc/87/13/72/373871372.db2.gz SVTBXYISUJNTIQ-MRXNPFEDSA-N 1 0 272.392 2.558 50 0 CFAARO C[C@H](CCc1ccccc1)[NH2+]CCSc1nc[nH]n1 ZINC000065434468 373872417 /nfs/dbraw/zinc/87/24/17/373872417.db2.gz FIQOFWGSFCHGBS-GFCCVEGCSA-N 1 0 276.409 2.508 50 0 CFAARO CO[C@@H](C[NH2+]Cc1c(C)n[nH]c1C)c1ccccc1 ZINC000065488963 373877787 /nfs/dbraw/zinc/87/77/87/373877787.db2.gz OJWJBQZOAVEVJF-HNNXBMFYSA-N 1 0 259.353 2.504 50 0 CFAARO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000066318091 373922871 /nfs/dbraw/zinc/92/28/71/373922871.db2.gz LNIGAKZKQMKDNP-JKSUJKDBSA-N 1 0 286.419 2.781 50 0 CFAARO Fc1cnccc1N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000067754641 373999110 /nfs/dbraw/zinc/99/91/10/373999110.db2.gz YZDWJYVEKQLMOK-UHFFFAOYSA-N 1 0 297.377 2.510 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C1(C)CCCCC1)C2 ZINC000067755696 373999688 /nfs/dbraw/zinc/99/96/88/373999688.db2.gz HJSZUMSDTFJUQL-UONOGXRCSA-N 1 0 264.413 2.652 50 0 CFAARO CCCC(=O)N1CCC2(CC1)CCC[N@H+](C)CC2 ZINC000067790391 374001159 /nfs/dbraw/zinc/00/11/59/374001159.db2.gz YRUJWIBQLKRTAZ-UHFFFAOYSA-N 1 0 252.402 2.511 50 0 CFAARO C=Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000067788397 374002277 /nfs/dbraw/zinc/00/22/77/374002277.db2.gz PWWCOPNPCMTINR-KRWDZBQOSA-N 1 0 270.376 2.545 50 0 CFAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000067771290 374002451 /nfs/dbraw/zinc/00/24/51/374002451.db2.gz IOPUTNXTDDFLMP-UHFFFAOYSA-N 1 0 281.783 2.815 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cnc3c(C)cccn23)n1 ZINC000067804945 374004108 /nfs/dbraw/zinc/00/41/08/374004108.db2.gz ZAHXBEHOGKUJKR-AWEZNQCLSA-N 1 0 297.406 2.634 50 0 CFAARO Cc1ccsc1-c1nc(CN2CC[C@@H](C[NH3+])C2)c(C)o1 ZINC000067854938 374009466 /nfs/dbraw/zinc/00/94/66/374009466.db2.gz RUDQUWCSITUHTD-LBPRGKRZSA-N 1 0 291.420 2.801 50 0 CFAARO COc1ccc(CC[NH3+])cc1-c1ccc(NC(C)=O)cc1 ZINC000067872929 374012240 /nfs/dbraw/zinc/01/22/40/374012240.db2.gz HIRITWHOEQBBHC-UHFFFAOYSA-N 1 0 284.359 2.822 50 0 CFAARO CC(C)NC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067935318 374015969 /nfs/dbraw/zinc/01/59/69/374015969.db2.gz GZFGYFSKPPLXCG-AWEZNQCLSA-N 1 0 293.411 2.589 50 0 CFAARO C[N@@H+]1CC[C@H](CNC(=O)CCCc2c[nH]c3ccccc23)C1 ZINC000067919678 374016282 /nfs/dbraw/zinc/01/62/82/374016282.db2.gz PSMVNYDKPQSUTE-CQSZACIVSA-N 1 0 299.418 2.559 50 0 CFAARO Nc1[nH]cc(-c2ccc(-c3ccccc3CO)cc2)[nH+]1 ZINC000067948102 374017213 /nfs/dbraw/zinc/01/72/13/374017213.db2.gz CKFLDSMDVYISEG-UHFFFAOYSA-N 1 0 265.316 2.818 50 0 CFAARO COc1ccc(-c2ccc([C@H](C)N3CCOCC3)cc2)nn1 ZINC000067458620 373978565 /nfs/dbraw/zinc/97/85/65/373978565.db2.gz UEBWTIMUTHDRFR-ZDUSSCGKSA-N 1 0 299.374 2.545 50 0 CFAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3ccccc3cn2)C1 ZINC000067587841 373985424 /nfs/dbraw/zinc/98/54/24/373985424.db2.gz RZJPSVIVIMBQRV-AWEZNQCLSA-N 1 0 297.402 2.697 50 0 CFAARO CC(C)c1nnc2n1C[C@H](C[NH2+]Cc1ccsc1)CC2 ZINC000069585085 374077365 /nfs/dbraw/zinc/07/73/65/374077365.db2.gz ICDFEEFIXWDRLY-LBPRGKRZSA-N 1 0 290.436 2.815 50 0 CFAARO C[NH+](C)Cc1cccc(NC(=O)OCC(F)(F)F)c1 ZINC000068592382 374033890 /nfs/dbraw/zinc/03/38/90/374033890.db2.gz CTWGDAGGOKZBPK-UHFFFAOYSA-N 1 0 276.258 2.859 50 0 CFAARO Clc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)s1 ZINC000069620851 374081035 /nfs/dbraw/zinc/08/10/35/374081035.db2.gz HNHNPTJOWSTZSM-SNVBAGLBSA-N 1 0 282.800 2.658 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@H](C)n2cccn2)cc1F ZINC000069372705 374057295 /nfs/dbraw/zinc/05/72/95/374057295.db2.gz HBGDVFJRLKLZMB-NEPJUHHUSA-N 1 0 277.343 2.770 50 0 CFAARO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H](C)n1cccn1 ZINC000069371999 374057897 /nfs/dbraw/zinc/05/78/97/374057897.db2.gz OILHUZGWZSVGEE-HUUCEWRRSA-N 1 0 295.390 2.808 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)cc1OC ZINC000069372107 374058169 /nfs/dbraw/zinc/05/81/69/374058169.db2.gz MYYHEOUBMQKYRX-QWHCGFSZSA-N 1 0 289.379 2.640 50 0 CFAARO C[C@@H](CNC(=O)c1ccc(Cl)s1)[NH+]1CCCC1 ZINC000069421004 374061633 /nfs/dbraw/zinc/06/16/33/374061633.db2.gz WLXTXNBFUPBGEN-VIFPVBQESA-N 1 0 272.801 2.616 50 0 CFAARO CCC[NH+]1CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000069444073 374064369 /nfs/dbraw/zinc/06/43/69/374064369.db2.gz QNDQEEMTZVADMC-CVEARBPZSA-N 1 0 268.445 2.609 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000069454089 374065283 /nfs/dbraw/zinc/06/52/83/374065283.db2.gz ZUNKISPTOVBZNX-CHWSQXEVSA-N 1 0 289.427 2.951 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000069454114 374065534 /nfs/dbraw/zinc/06/55/34/374065534.db2.gz ATKQSPUFMOGDKV-JSGCOSHPSA-N 1 0 258.369 2.634 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccsc1 ZINC000069653925 374082638 /nfs/dbraw/zinc/08/26/38/374082638.db2.gz FPOZPKDBTRNYFN-KBPBESRZSA-N 1 0 278.421 2.837 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCC[N@@H+]2Cc2c(C)noc2C)n1 ZINC000070010491 374114593 /nfs/dbraw/zinc/11/45/93/374114593.db2.gz ONTWWRCSPARXBN-HNNXBMFYSA-N 1 0 288.395 2.769 50 0 CFAARO Cn1cc([C@H]2CCC[N@@H+]2CCc2cccs2)cn1 ZINC000070006591 374114792 /nfs/dbraw/zinc/11/47/92/374114792.db2.gz FLEZLAVMSWJZPO-CQSZACIVSA-N 1 0 261.394 2.861 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3cccnc3)C2)n1 ZINC000070020933 374116715 /nfs/dbraw/zinc/11/67/15/374116715.db2.gz IWSXWDNJFXYTTL-BBRMVZONSA-N 1 0 299.422 2.763 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000069809047 374100026 /nfs/dbraw/zinc/10/00/26/374100026.db2.gz WZDXZYNGSFAFEH-UHFFFAOYSA-N 1 0 274.408 2.564 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000069820182 374101991 /nfs/dbraw/zinc/10/19/91/374101991.db2.gz HCMPXLRGRKOJNT-GOSISDBHSA-N 1 0 298.434 2.850 50 0 CFAARO CCc1nnc2n1C[C@H](C[NH2+]Cc1sccc1C)CC2 ZINC000069874644 374105571 /nfs/dbraw/zinc/10/55/71/374105571.db2.gz WTJBZZAJLOKWAI-LBPRGKRZSA-N 1 0 290.436 2.563 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2ccc(Cl)c(F)c2)c1 ZINC000069892426 374106643 /nfs/dbraw/zinc/10/66/43/374106643.db2.gz OWUVDAPHUXODSP-UHFFFAOYSA-N 1 0 267.735 2.774 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000070172210 374137145 /nfs/dbraw/zinc/13/71/45/374137145.db2.gz LQXMNYQSVQNRKF-SFYZADRCSA-N 1 0 290.194 2.521 50 0 CFAARO C[C@H]1CCCN(C(=O)C2CCCCCC2)[C@H]1C[NH3+] ZINC000070176717 374142240 /nfs/dbraw/zinc/14/22/40/374142240.db2.gz CPJWOUBAKSRLCF-JSGCOSHPSA-N 1 0 252.402 2.543 50 0 CFAARO CCCNC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000071922255 374231900 /nfs/dbraw/zinc/23/19/00/374231900.db2.gz JQJBHMMVJUGVSA-UHFFFAOYSA-N 1 0 288.395 2.734 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2c(Cl)cccc2Cl)C1 ZINC000071143476 374212425 /nfs/dbraw/zinc/21/24/25/374212425.db2.gz AIPTWBKWJLHIEQ-SECBINFHSA-N 1 0 287.190 2.675 50 0 CFAARO Cc1nc[nH]c1CN1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071777254 374223892 /nfs/dbraw/zinc/22/38/92/374223892.db2.gz VGSXOINNVYZSFO-KRWDZBQOSA-N 1 0 290.455 2.660 50 0 CFAARO c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CCCc3ccccc31)CN2 ZINC000071888627 374229161 /nfs/dbraw/zinc/22/91/61/374229161.db2.gz BMBDRJIHQBHWCS-CZUORRHYSA-N 1 0 282.391 2.592 50 0 CFAARO OCCC[NH2+]Cc1cccc(-c2ccnc3[nH]ccc32)c1 ZINC000072419686 374252133 /nfs/dbraw/zinc/25/21/33/374252133.db2.gz VEEXTAUEQGWLRR-UHFFFAOYSA-N 1 0 281.359 2.702 50 0 CFAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCC1)c1ccc2c(c1)CCC2 ZINC000072447536 374253931 /nfs/dbraw/zinc/25/39/31/374253931.db2.gz AHGDZUCSZLQNGX-MSOLQXFVSA-N 1 0 298.430 2.968 50 0 CFAARO CS[C@H](C)CC[NH+]1CCN(c2ncccc2C)CC1 ZINC000072140457 374234209 /nfs/dbraw/zinc/23/42/09/374234209.db2.gz FQMFHFAHKFUWDD-CQSZACIVSA-N 1 0 279.453 2.654 50 0 CFAARO CC(C)Cc1ccc(C[NH2+]C2(C(N)=O)CCCC2)cc1 ZINC000072308581 374244551 /nfs/dbraw/zinc/24/45/51/374244551.db2.gz LWWCNRQYAYIBLX-UHFFFAOYSA-N 1 0 274.408 2.773 50 0 CFAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@@H]1CCCO1 ZINC000075572420 374493148 /nfs/dbraw/zinc/49/31/48/374493148.db2.gz YOYVFBKNEVHVMR-ZFWWWQNUSA-N 1 0 276.380 2.562 50 0 CFAARO C[C@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1[NH+](C)C ZINC000078895235 374572701 /nfs/dbraw/zinc/57/27/01/374572701.db2.gz CWRHSYNRSSIMFT-WCQYABFASA-N 1 0 292.448 2.649 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1C ZINC000079020782 374584384 /nfs/dbraw/zinc/58/43/84/374584384.db2.gz LUCDZCLMWZIEDF-NWDGAFQWSA-N 1 0 253.415 2.574 50 0 CFAARO Cc1cccc(Cn2c[n+](Cc3ccc(F)cc3)cn2)c1 ZINC000252480440 189975373 /nfs/dbraw/zinc/97/53/73/189975373.db2.gz CADOVNUSKUMXDF-UHFFFAOYSA-N 1 0 282.342 2.715 50 0 CFAARO Cc1ncc(C[NH2+][C@@H]2CCC[C@]2(C)CO)n1-c1ccccc1 ZINC000084048217 374761505 /nfs/dbraw/zinc/76/15/05/374761505.db2.gz MHDUTSXATREFOA-QZTJIDSGSA-N 1 0 299.418 2.821 50 0 CFAARO CCn1c(C)cc(C(=O)N2CCCC[C@H]([NH+](C)C)C2)c1C ZINC000082097401 374726542 /nfs/dbraw/zinc/72/65/42/374726542.db2.gz WTHPGXQKVWJHAP-HNNXBMFYSA-N 1 0 291.439 2.681 50 0 CFAARO CC(C)(C)OCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000084240878 374770135 /nfs/dbraw/zinc/77/01/35/374770135.db2.gz MSADSTGUCNFGDV-CYBMUJFWSA-N 1 0 251.374 2.752 50 0 CFAARO CC[C@@H](CCO)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000084733270 374789103 /nfs/dbraw/zinc/78/91/03/374789103.db2.gz NPFVFQWBXAZBBC-NSHDSACASA-N 1 0 270.442 2.939 50 0 CFAARO CCc1noc(C)c1C[NH2+]C1(CC(=O)OC)CCCCC1 ZINC000089280169 374895102 /nfs/dbraw/zinc/89/51/02/374895102.db2.gz OBZFUJHBJUVJBX-UHFFFAOYSA-N 1 0 294.395 2.901 50 0 CFAARO CC(C)Cc1ccc(C[NH2+]CC2(O)CCOCC2)cc1 ZINC000088701727 374859497 /nfs/dbraw/zinc/85/94/97/374859497.db2.gz INCZMHWWQNFMDL-UHFFFAOYSA-N 1 0 277.408 2.516 50 0 CFAARO Cc1noc(CC[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000089517681 374916306 /nfs/dbraw/zinc/91/63/06/374916306.db2.gz LLMMJVPURLYJFV-GFCCVEGCSA-N 1 0 275.377 2.747 50 0 CFAARO Cc1cc(C[N@H+]2CC[C@H](OCCC(C)C)C2)on1 ZINC000089606896 374927826 /nfs/dbraw/zinc/92/78/26/374927826.db2.gz DPNAIOHLUZMDMB-ZDUSSCGKSA-N 1 0 252.358 2.620 50 0 CFAARO Fc1cccc(F)c1N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000089768168 374948248 /nfs/dbraw/zinc/94/82/48/374948248.db2.gz FYLLWWIIMFTFLB-ZDUSSCGKSA-N 1 0 289.329 2.728 50 0 CFAARO CC(C)CSCCC[N@H+](C)Cc1cnn(C)c1 ZINC000089856430 374961381 /nfs/dbraw/zinc/96/13/81/374961381.db2.gz PXGKIMALWCKFND-UHFFFAOYSA-N 1 0 255.431 2.631 50 0 CFAARO CC(C)[N@H+](C)CC(=O)Nc1c(F)cccc1NC1CC1 ZINC000089869451 374963643 /nfs/dbraw/zinc/96/36/43/374963643.db2.gz WBLOYBLRAIRLAE-UHFFFAOYSA-N 1 0 279.359 2.679 50 0 CFAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000089873175 374963792 /nfs/dbraw/zinc/96/37/92/374963792.db2.gz YVIWKCGIDZXAPY-AWEZNQCLSA-N 1 0 280.371 2.806 50 0 CFAARO CC[C@H](CNCc1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000089943463 374975064 /nfs/dbraw/zinc/97/50/64/374975064.db2.gz DOBZUVNIYOFSLT-CYBMUJFWSA-N 1 0 268.351 2.929 50 0 CFAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000089948959 374975157 /nfs/dbraw/zinc/97/51/57/374975157.db2.gz PQCOJTULFLTGJK-DGCLKSJQSA-N 1 0 284.787 2.670 50 0 CFAARO Fc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)n2)cc1F ZINC000090225593 375005869 /nfs/dbraw/zinc/00/58/69/375005869.db2.gz NNENSCNHBZBIFE-UHFFFAOYSA-N 1 0 263.291 2.822 50 0 CFAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000090454499 375015486 /nfs/dbraw/zinc/01/54/86/375015486.db2.gz IIGYYSXJRBUBAI-BDJLRTHQSA-N 1 0 298.390 2.576 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)s1 ZINC000090515902 375018550 /nfs/dbraw/zinc/01/85/50/375018550.db2.gz RKHYJZHXIBQOFN-XMZIXOGTSA-N 1 0 259.440 2.864 50 0 CFAARO CC[NH+]1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091690474 375058207 /nfs/dbraw/zinc/05/82/07/375058207.db2.gz JTIHEFYZKWQTKC-UHFFFAOYSA-N 1 0 286.419 2.911 50 0 CFAARO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000092705546 375139016 /nfs/dbraw/zinc/13/90/16/375139016.db2.gz MHNLRJXBXCEBJJ-OAHLLOKOSA-N 1 0 278.371 2.625 50 0 CFAARO OCCC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000092785397 375152696 /nfs/dbraw/zinc/15/26/96/375152696.db2.gz SGKCEFXJRMAACO-LLVKDONJSA-N 1 0 255.308 2.702 50 0 CFAARO C[N@H+](CCN1CCCC1=O)CC1CCC(C)(C)CC1 ZINC000093320329 375209555 /nfs/dbraw/zinc/20/95/55/375209555.db2.gz FURVGGLDTCAPSE-UHFFFAOYSA-N 1 0 266.429 2.757 50 0 CFAARO Cn1ccc(C[NH2+][C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000253428660 189992028 /nfs/dbraw/zinc/99/20/28/189992028.db2.gz KJNRBWPVNPBNGQ-HIFRSBDPSA-N 1 0 273.355 2.985 50 0 CFAARO C[C@H]1C[C@H]1c1ccc(C[N@H+](C)C2CCS(=O)CC2)o1 ZINC000093659504 375288612 /nfs/dbraw/zinc/28/86/12/375288612.db2.gz BWHKKVQBIIFZNO-UEWHRMHWSA-N 1 0 281.421 2.746 50 0 CFAARO COc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506957 375257931 /nfs/dbraw/zinc/25/79/31/375257931.db2.gz NGHYVUFFYNSIIJ-GDBMZVCRSA-N 1 0 261.365 2.696 50 0 CFAARO Cc1ccc(CCCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000095458091 375456890 /nfs/dbraw/zinc/45/68/90/375456890.db2.gz JYUPEARTTUDPCL-CVEARBPZSA-N 1 0 288.435 2.869 50 0 CFAARO CCOCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000095462193 375457001 /nfs/dbraw/zinc/45/70/01/375457001.db2.gz FVKXQNPVCGVIPF-BBRMVZONSA-N 1 0 279.380 2.717 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCn1ccc2ccccc2c1=O ZINC000095357867 375419478 /nfs/dbraw/zinc/41/94/78/375419478.db2.gz CGRWTTHZEBXZPW-HNNXBMFYSA-N 1 0 270.376 2.876 50 0 CFAARO C[N@@H+]1CCCC[C@H]1Cn1sc2ccccc2c1=O ZINC000095366416 375421034 /nfs/dbraw/zinc/42/10/34/375421034.db2.gz NPODVIUTFCBYEZ-NSHDSACASA-N 1 0 262.378 2.547 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)CCC[NH+]2CCCCC2)cn1 ZINC000095364040 375421333 /nfs/dbraw/zinc/42/13/33/375421333.db2.gz JABMIFRLQFKSPF-HNNXBMFYSA-N 1 0 289.423 2.833 50 0 CFAARO CC(C)c1cc(N[C@H]2COC3(CCCC3)C2)nc(N)[nH+]1 ZINC000095365457 375421792 /nfs/dbraw/zinc/42/17/92/375421792.db2.gz FCXBEPWTYFCSMD-LLVKDONJSA-N 1 0 276.384 2.696 50 0 CFAARO [NH3+]CCn1cc(-c2ccc(SC3CCCCC3)o2)nn1 ZINC000095379718 375425119 /nfs/dbraw/zinc/42/51/19/375425119.db2.gz 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/nfs/dbraw/zinc/44/08/01/375440801.db2.gz ZALDKVHDTPEJCU-BDJLRTHQSA-N 1 0 278.371 2.733 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000095422508 375442157 /nfs/dbraw/zinc/44/21/57/375442157.db2.gz NPPKQAQPXKIOEA-GOEBONIOSA-N 1 0 263.381 2.841 50 0 CFAARO C[NH+](C)Cc1ccnc(NCc2ccc(F)cc2)c1 ZINC000095428434 375443428 /nfs/dbraw/zinc/44/34/28/375443428.db2.gz YUKUSCAKCJCVFE-UHFFFAOYSA-N 1 0 259.328 2.894 50 0 CFAARO c1cn(-c2cc(C[NH2+]C[C@@H]3CC=CCC3)ccn2)cn1 ZINC000095433924 375446819 /nfs/dbraw/zinc/44/68/19/375446819.db2.gz UGEPOTYQKLKCJI-CQSZACIVSA-N 1 0 268.364 2.713 50 0 CFAARO CC(C)NC(=O)CC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000095443051 375450676 /nfs/dbraw/zinc/45/06/76/375450676.db2.gz ZFKFWDWCEKFTGS-HNNXBMFYSA-N 1 0 274.408 2.611 50 0 CFAARO Cc1cc(C)nc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000097142982 375530619 /nfs/dbraw/zinc/53/06/19/375530619.db2.gz PJCCZRKVSFOUIU-GXTWGEPZSA-N 1 0 290.411 2.502 50 0 CFAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 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C[C@@H](Cn1cc(Br)cn1)[NH2+]C1(C)CCC1 ZINC000097046022 375501438 /nfs/dbraw/zinc/50/14/38/375501438.db2.gz XDDZPMHAATXUMM-VIFPVBQESA-N 1 0 272.190 2.566 50 0 CFAARO Cc1nnc(C[NH2+][C@H](Cc2ccc(F)cc2)C(C)C)o1 ZINC000097049024 375502902 /nfs/dbraw/zinc/50/29/02/375502902.db2.gz WYCMJJWZCXWERV-CQSZACIVSA-N 1 0 277.343 2.874 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)no1 ZINC000097048971 375503050 /nfs/dbraw/zinc/50/30/50/375503050.db2.gz GNDKAQYCCIUCNK-STQMWFEESA-N 1 0 287.363 2.703 50 0 CFAARO COc1ccc(C2(C[NH2+][C@@H](C)CCn3cccn3)CC2)cc1 ZINC000097049748 375504440 /nfs/dbraw/zinc/50/44/40/375504440.db2.gz VHGFKEFKMHAXLE-HNNXBMFYSA-N 1 0 299.418 2.992 50 0 CFAARO COC(=O)c1ccc(Cl)c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000097080414 375509400 /nfs/dbraw/zinc/50/94/00/375509400.db2.gz YPTIPGPMGAZSPO-LLVKDONJSA-N 1 0 297.782 2.595 50 0 CFAARO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCSC2)cc1 ZINC000097084505 375512006 /nfs/dbraw/zinc/51/20/06/375512006.db2.gz MOLSACMZDBVFAT-CYBMUJFWSA-N 1 0 294.420 2.509 50 0 CFAARO O=C(CC1CCCCC1)NCC[NH2+][C@@H]1CCCSC1 ZINC000097084603 375512353 /nfs/dbraw/zinc/51/23/53/375512353.db2.gz SDSOSLXXWSNXSM-CQSZACIVSA-N 1 0 284.469 2.558 50 0 CFAARO Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 ZINC000097106966 375520341 /nfs/dbraw/zinc/52/03/41/375520341.db2.gz OUCURQZROZNGEQ-ZDUSSCGKSA-N 1 0 294.395 2.935 50 0 CFAARO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(CC(F)F)CC1 ZINC000097108441 375521129 /nfs/dbraw/zinc/52/11/29/375521129.db2.gz FJHJGGTVKJMSDS-OLZOCXBDSA-N 1 0 260.372 2.695 50 0 CFAARO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)o1 ZINC000097108591 375521800 /nfs/dbraw/zinc/52/18/00/375521800.db2.gz QEPJNJILKNTPEN-AWEZNQCLSA-N 1 0 279.380 2.606 50 0 CFAARO CC(=O)N1CC[N@H+](Cc2cccc3[nH]ccc32)C(C)(C)C1 ZINC000097139150 375527017 /nfs/dbraw/zinc/52/70/17/375527017.db2.gz GRGGKVUQBPIQMR-UHFFFAOYSA-N 1 0 285.391 2.611 50 0 CFAARO Cc1ncccc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000097139209 375527805 /nfs/dbraw/zinc/52/78/05/375527805.db2.gz RMNMKCCQXVPCQK-HNNXBMFYSA-N 1 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ZINC000131609600 377736503 /nfs/dbraw/zinc/73/65/03/377736503.db2.gz JXPMWCUBTGGWIU-HUUCEWRRSA-N 1 0 280.456 2.941 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]CCCO)ccc1Br ZINC000134541774 378028943 /nfs/dbraw/zinc/02/89/43/378028943.db2.gz XNLSURIAOJTAKB-SNVBAGLBSA-N 1 0 272.186 2.791 50 0 CFAARO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCC2)cc1 ZINC000135715788 378160069 /nfs/dbraw/zinc/16/00/69/378160069.db2.gz ZKCLFPGGSCMWJJ-CQSZACIVSA-N 1 0 290.407 2.747 50 0 CFAARO CC(C)(C(=O)NCC[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000152688666 378438835 /nfs/dbraw/zinc/43/88/35/378438835.db2.gz SMOZENOTQVFKTF-CYBMUJFWSA-N 1 0 292.398 2.609 50 0 CFAARO CC[N@H+](Cc1nc(C2CC2)no1)[C@H]1CCOC(C)(C)C1 ZINC000329798690 378497397 /nfs/dbraw/zinc/49/73/97/378497397.db2.gz XOKOVQJBYFFQRW-LBPRGKRZSA-N 1 0 279.384 2.727 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3ccccc3nc2C)C1 ZINC000159032192 378682264 /nfs/dbraw/zinc/68/22/64/378682264.db2.gz KUAKUGBODBFJKH-AWEZNQCLSA-N 1 0 297.402 2.615 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000161581394 378857934 /nfs/dbraw/zinc/85/79/34/378857934.db2.gz PDXYWKACQPXLBC-CHWSQXEVSA-N 1 0 260.381 2.724 50 0 CFAARO CC[C@H](CCO)[NH2+]Cc1sccc1Br ZINC000164999165 379029934 /nfs/dbraw/zinc/02/99/34/379029934.db2.gz LVMSSQQZRBKBTH-MRVPVSSYSA-N 1 0 278.215 2.761 50 0 CFAARO Cc1cccc(CN2CC[NH+](CC[C@@H]3CCCO3)CC2)c1 ZINC000170605153 379126891 /nfs/dbraw/zinc/12/68/91/379126891.db2.gz QLIKJPUMLJICBM-SFHVURJKSA-N 1 0 288.435 2.682 50 0 CFAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000172575614 379599098 /nfs/dbraw/zinc/59/90/98/379599098.db2.gz LFKRFSRBTDZNQA-INIZCTEOSA-N 1 0 284.403 2.939 50 0 CFAARO Cc1nc(CC[NH2+]Cc2c[nH]nc2C(C)(C)C)cs1 ZINC000048707840 412916310 /nfs/dbraw/zinc/91/63/10/412916310.db2.gz CYQBENQTONXYRA-UHFFFAOYSA-N 1 0 278.425 2.804 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000409421010 380958715 /nfs/dbraw/zinc/95/87/15/380958715.db2.gz WOJMJHDJSFKKAW-AWEZNQCLSA-N 1 0 275.396 2.539 50 0 CFAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)CC(C)C)CC1 ZINC000409420914 380958784 /nfs/dbraw/zinc/95/87/84/380958784.db2.gz DCNIVPYGYJKDCC-UHFFFAOYSA-N 1 0 277.412 2.785 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000409420959 380958992 /nfs/dbraw/zinc/95/89/92/380958992.db2.gz MHWMKWLMLFZUPL-ZDUSSCGKSA-N 1 0 287.407 2.718 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000409420901 380959226 /nfs/dbraw/zinc/95/92/26/380959226.db2.gz AYXYPTBQNDKGND-CQSZACIVSA-N 1 0 287.363 2.645 50 0 CFAARO Fc1cc(Cl)ccc1C[NH2+]CCc1cnccn1 ZINC000355124601 381626871 /nfs/dbraw/zinc/62/68/71/381626871.db2.gz ONPAGMMAVAWTCY-UHFFFAOYSA-N 1 0 265.719 2.601 50 0 CFAARO Cc1ccc(C)c([C@H](C)N(C)C(=O)C2CC[NH2+]CC2)c1 ZINC000299753536 382041813 /nfs/dbraw/zinc/04/18/13/382041813.db2.gz YMPRWQLRZLDUNV-AWEZNQCLSA-N 1 0 274.408 2.822 50 0 CFAARO CCc1ccccc1C[N@@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299761537 382043528 /nfs/dbraw/zinc/04/35/28/382043528.db2.gz UYWLFUXLRNZURD-FGTMMUONSA-N 1 0 289.419 2.753 50 0 CFAARO Cc1nnc(CN2CCC[N@@H+](C3CCCCC3)CC2)s1 ZINC000299759661 382044439 /nfs/dbraw/zinc/04/44/39/382044439.db2.gz MLORREHITOIPCW-UHFFFAOYSA-N 1 0 294.468 2.687 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@H+](C)CCCOc1ccccc1 ZINC000299776187 382046695 /nfs/dbraw/zinc/04/66/95/382046695.db2.gz KTJPCDZTZJJXRW-UHFFFAOYSA-N 1 0 287.407 2.970 50 0 CFAARO CC1=CC[N@H+](C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299792634 382047948 /nfs/dbraw/zinc/04/79/48/382047948.db2.gz FYOITVLBQBTHAM-OAHLLOKOSA-N 1 0 270.376 2.692 50 0 CFAARO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188409570 382409970 /nfs/dbraw/zinc/40/99/70/382409970.db2.gz XGOYDKMWKBJYOC-CQSZACIVSA-N 1 0 277.318 2.826 50 0 CFAARO CSCc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000188724841 382464434 /nfs/dbraw/zinc/46/44/34/382464434.db2.gz MYDRCNHZQIVZIS-BXUZGUMPSA-N 1 0 251.395 2.817 50 0 CFAARO OC1CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000051590081 184566132 /nfs/dbraw/zinc/56/61/32/184566132.db2.gz XKTHQYBDDRSKKS-UHFFFAOYSA-N 1 0 276.767 2.845 50 0 CFAARO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189355709 382597497 /nfs/dbraw/zinc/59/74/97/382597497.db2.gz VRVFCZNDJXJGLV-NXEZZACHSA-N 1 0 259.752 2.976 50 0 CFAARO c1ccc(C[C@@H]2CC[C@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000189513956 382618373 /nfs/dbraw/zinc/61/83/73/382618373.db2.gz NBKRKJWEXWJOPV-RDJZCZTQSA-N 1 0 267.376 2.978 50 0 CFAARO Cc1cnc(CN2CCN(c3ccccc3F)C[C@@H]2C)o1 ZINC000191619830 382701648 /nfs/dbraw/zinc/70/16/48/382701648.db2.gz BHVDARCJDVJWTG-LBPRGKRZSA-N 1 0 289.354 2.833 50 0 CFAARO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000191619036 382701653 /nfs/dbraw/zinc/70/16/53/382701653.db2.gz JNKRBWQQWXERNM-GXSJLCMTSA-N 1 0 288.185 2.683 50 0 CFAARO CSC1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000193659695 382722206 /nfs/dbraw/zinc/72/22/06/382722206.db2.gz BHIIJCRDCFUJIG-UHFFFAOYSA-N 1 0 273.405 2.858 50 0 CFAARO CC[C@H](C)c1ccccc1OCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000195115922 382762322 /nfs/dbraw/zinc/76/23/22/382762322.db2.gz KNVQWOCLGCEGRH-KBPBESRZSA-N 1 0 290.407 2.529 50 0 CFAARO Cc1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1Cl ZINC000195445248 382767748 /nfs/dbraw/zinc/76/77/48/382767748.db2.gz YKEDZGNXISMFIY-CYBMUJFWSA-N 1 0 271.813 2.606 50 0 CFAARO C[NH2+]C[C@@H](C)C(=O)N[C@H](c1cccc(OC)c1)C(C)(C)C ZINC000195543651 382769137 /nfs/dbraw/zinc/76/91/37/382769137.db2.gz UXUGYHUBNJUTLZ-IUODEOHRSA-N 1 0 292.423 2.754 50 0 CFAARO CC(C)OCC[C@@H]1CCCCN1C(=O)CC1CC[NH2+]CC1 ZINC000195543473 382769218 /nfs/dbraw/zinc/76/92/18/382769218.db2.gz NMKQZVLRMKHHKI-INIZCTEOSA-N 1 0 296.455 2.572 50 0 CFAARO CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000195543351 382769349 /nfs/dbraw/zinc/76/93/49/382769349.db2.gz PQULKIUNZJSOJX-NSHDSACASA-N 1 0 264.369 2.779 50 0 CFAARO CCn1cnnc1CN[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000195553484 382769817 /nfs/dbraw/zinc/76/98/17/382769817.db2.gz LCRYYLWUFUOCDB-WBMJQRKESA-N 1 0 270.380 2.630 50 0 CFAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2Cl)n1 ZINC000195579983 382770339 /nfs/dbraw/zinc/77/03/39/382770339.db2.gz IQJXRRAPKXKTIZ-CQSZACIVSA-N 1 0 292.766 2.567 50 0 CFAARO CC(C)n1cc(C[N@H+](C)CCC2(O)CCCC2)cn1 ZINC000215185172 382778060 /nfs/dbraw/zinc/77/80/60/382778060.db2.gz JTUUQRJWHZIECW-UHFFFAOYSA-N 1 0 265.401 2.591 50 0 CFAARO [NH3+][C@H]1CCN(Cc2ccc(OC3CCCC3)cc2)C1 ZINC000215345039 382778754 /nfs/dbraw/zinc/77/87/54/382778754.db2.gz YXWNOLZXEWSTJO-AWEZNQCLSA-N 1 0 260.381 2.541 50 0 CFAARO CCCn1ncc(C[NH+]2CCC(c3ncc[nH]3)CC2)c1C ZINC000215491097 382779027 /nfs/dbraw/zinc/77/90/27/382779027.db2.gz XAEOCEITUNGQPG-UHFFFAOYSA-N 1 0 287.411 2.704 50 0 CFAARO c1sc(CN2CCSCC2)cc1C[NH+]1CCCC1 ZINC000215607711 382779837 /nfs/dbraw/zinc/77/98/37/382779837.db2.gz ZVIPDVCTGYHHPA-UHFFFAOYSA-N 1 0 282.478 2.893 50 0 CFAARO CCc1ccc(C[N@H+](C)C2CCSCC2)nc1 ZINC000215750898 382780302 /nfs/dbraw/zinc/78/03/02/382780302.db2.gz RVQZNGSEECJRPJ-UHFFFAOYSA-N 1 0 250.411 2.971 50 0 CFAARO Cc1cccc2cc(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)oc21 ZINC000215901800 382781364 /nfs/dbraw/zinc/78/13/64/382781364.db2.gz SDJIKFVEOGHREF-DZGCQCFKSA-N 1 0 298.386 2.907 50 0 CFAARO C[NH+](C)Cc1ccccc1OCCCCn1ccnc1 ZINC000216123269 382781829 /nfs/dbraw/zinc/78/18/29/382781829.db2.gz WPMXHZJZHHNZDB-UHFFFAOYSA-N 1 0 273.380 2.804 50 0 CFAARO C([C@H]1CCCCO1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000229595939 382852621 /nfs/dbraw/zinc/85/26/21/382852621.db2.gz RMDOAPZLYOTABJ-IAGOWNOFSA-N 1 0 280.456 2.896 50 0 CFAARO [NH3+]C1CC(c2cc(NCC3=CCCCC3)ncn2)C1 ZINC000220411853 382796206 /nfs/dbraw/zinc/79/62/06/382796206.db2.gz KNWXDEXMLYMTSR-UHFFFAOYSA-N 1 0 258.369 2.594 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)c1ccco1)[C@@H](O)Cc1ccccc1 ZINC000222112390 382800666 /nfs/dbraw/zinc/80/06/66/382800666.db2.gz UGZQGNATNXPSAO-IPYPFGDCSA-N 1 0 259.349 2.922 50 0 CFAARO CC(C)c1cc(CN2CC[NH2+][C@@H](c3ccccc3)C2)on1 ZINC000222705878 382803299 /nfs/dbraw/zinc/80/32/99/382803299.db2.gz VMKDLEGOKWNFQD-QGZVFWFLSA-N 1 0 285.391 2.945 50 0 CFAARO CCC1(CC)CCN(c2cc(C3CC([NH3+])C3)ncn2)C1 ZINC000223167072 382804260 /nfs/dbraw/zinc/80/42/60/382804260.db2.gz NVFZJYFKZHMXBO-UHFFFAOYSA-N 1 0 274.412 2.698 50 0 CFAARO [NH3+]CC[C@H]1c2ccccc2N(Cc2ccccc2)C1=O ZINC000000518521 169660894 /nfs/dbraw/zinc/66/08/94/169660894.db2.gz MKOAKVRHQLKHLN-HNNXBMFYSA-N 1 0 266.344 2.666 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC000225404284 382815403 /nfs/dbraw/zinc/81/54/03/382815403.db2.gz FFWLPXVTHTUGHH-BLLLJJGKSA-N 1 0 278.371 2.530 50 0 CFAARO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCO ZINC000225478934 382816604 /nfs/dbraw/zinc/81/66/04/382816604.db2.gz UYDQDWPTBIRSSI-SNVBAGLBSA-N 1 0 277.393 2.547 50 0 CFAARO Cc1c(F)cccc1-c1ccc(C[N@@H+]2CC[C@H](O)C2)o1 ZINC000225533949 382817816 /nfs/dbraw/zinc/81/78/16/382817816.db2.gz ICXQADLZAYYOHR-LBPRGKRZSA-N 1 0 275.323 2.961 50 0 CFAARO Cc1nc(CC[NH2+]Cc2ccc3c(n2)CCC3)c(C)o1 ZINC000576444866 382823009 /nfs/dbraw/zinc/82/30/09/382823009.db2.gz HKQXXHWVECYNNV-UHFFFAOYSA-N 1 0 271.364 2.507 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227809417 382840853 /nfs/dbraw/zinc/84/08/53/382840853.db2.gz DWCYFNLCZPETNG-IJLUTSLNSA-N 1 0 280.799 2.987 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)c1cccnc1 ZINC000229555691 382852292 /nfs/dbraw/zinc/85/22/92/382852292.db2.gz NRNAWPNJVANNJB-RRQGHBQHSA-N 1 0 287.407 2.618 50 0 CFAARO Cc1ccccc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000229629789 382853184 /nfs/dbraw/zinc/85/31/84/382853184.db2.gz PFWVYWRZNIIWRJ-UKRRQHHQSA-N 1 0 274.408 2.845 50 0 CFAARO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@H]2CCCO[C@H]21 ZINC000230267453 382858242 /nfs/dbraw/zinc/85/82/42/382858242.db2.gz VDNVGQSYVUISIU-DAXOMENPSA-N 1 0 289.375 2.709 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000233983976 382872282 /nfs/dbraw/zinc/87/22/82/382872282.db2.gz SLAACSBZTKIVHG-LSDHHAIUSA-N 1 0 292.448 2.567 50 0 CFAARO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000233841140 382872431 /nfs/dbraw/zinc/87/24/31/382872431.db2.gz SLAACSBZTKIVHG-CABCVRRESA-N 1 0 292.448 2.567 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000233990830 382872889 /nfs/dbraw/zinc/87/28/89/382872889.db2.gz FCSGEEWUCRFXNN-LSDHHAIUSA-N 1 0 265.422 2.943 50 0 CFAARO C/C(=C/C(=O)N1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000236622496 382899379 /nfs/dbraw/zinc/89/93/79/382899379.db2.gz BQVZIGXVPWVFPR-HMVFGEFZSA-N 1 0 276.355 2.569 50 0 CFAARO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237497803 382963198 /nfs/dbraw/zinc/96/31/98/382963198.db2.gz ROIWZJVOVMDVGL-BRXULGCHSA-N 1 0 290.382 2.863 50 0 CFAARO c1cncc(CCCN2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000240936853 382982839 /nfs/dbraw/zinc/98/28/39/382982839.db2.gz SEWCASPRNLZNTO-UHFFFAOYSA-N 1 0 287.451 2.965 50 0 CFAARO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000242048153 382984752 /nfs/dbraw/zinc/98/47/52/382984752.db2.gz VTIIUUBKLZEWLN-CVEARBPZSA-N 1 0 277.408 2.572 50 0 CFAARO COCCCCc1noc([C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000241965615 382985037 /nfs/dbraw/zinc/98/50/37/382985037.db2.gz UUJLNPTYYVLBBG-UPJWGTAASA-N 1 0 281.400 2.973 50 0 CFAARO c1nc(C[NH2+]CCc2ccccc2)sc1C1OCCO1 ZINC000242183896 382985488 /nfs/dbraw/zinc/98/54/88/382985488.db2.gz XCUMZDYLXSADBN-UHFFFAOYSA-N 1 0 290.388 2.521 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648788 382986507 /nfs/dbraw/zinc/98/65/07/382986507.db2.gz RIJFNUHYNBVLOZ-JLNYLFASSA-N 1 0 284.359 2.655 50 0 CFAARO CNC(=O)C(C)(C)N(C)Cc1ccc([C@H]2CCCO2)s1 ZINC000243932125 382988343 /nfs/dbraw/zinc/98/83/43/382988343.db2.gz BTCWSRHACSYRTJ-GFCCVEGCSA-N 1 0 296.436 2.556 50 0 CFAARO Cc1cc(CNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)ccc1F ZINC000244659566 382989482 /nfs/dbraw/zinc/98/94/82/382989482.db2.gz HEZGSERJWIGPLI-BETUJISGSA-N 1 0 286.354 2.741 50 0 CFAARO Cc1nccc(C2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000244673783 382989494 /nfs/dbraw/zinc/98/94/94/382989494.db2.gz HVJPACSRBILJFQ-SFHVURJKSA-N 1 0 297.402 2.698 50 0 CFAARO CN(Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCCC[N@@H+]1C ZINC000244764111 382991021 /nfs/dbraw/zinc/99/10/21/382991021.db2.gz PBLPUNFLCVDURF-QGZVFWFLSA-N 1 0 298.434 2.993 50 0 CFAARO CN(CCC[C@@H]1CCCO1)Cc1nccn1C1CC1 ZINC000244796178 382992365 /nfs/dbraw/zinc/99/23/65/382992365.db2.gz RUKFIKZYGHMPIN-CQSZACIVSA-N 1 0 263.385 2.609 50 0 CFAARO Cc1nc(CN(C)CCC[C@@H]2CCCO2)cs1 ZINC000244858400 382992542 /nfs/dbraw/zinc/99/25/42/382992542.db2.gz VKLQMXGNEVPFKK-CYBMUJFWSA-N 1 0 254.399 2.843 50 0 CFAARO CCN(Cc1noc(C2CCC2)n1)C[C@H]1CCC[N@@H+]1CC ZINC000244831519 382992780 /nfs/dbraw/zinc/99/27/80/382992780.db2.gz UFESQIZANILEAD-CQSZACIVSA-N 1 0 292.427 2.643 50 0 CFAARO Cc1noc([C@@H]2CCCCN2Cc2cn3ccccc3n2)n1 ZINC000244795716 382993496 /nfs/dbraw/zinc/99/34/96/382993496.db2.gz RMHYVNPIVWBBJQ-AWEZNQCLSA-N 1 0 297.362 2.753 50 0 CFAARO CN(Cc1cncn1Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000244874191 382994375 /nfs/dbraw/zinc/99/43/75/382994375.db2.gz WWGGSNHNVXYHOU-SFHVURJKSA-N 1 0 299.418 2.932 50 0 CFAARO Cc1nnc([C@H]2CCC[N@H+](CCCc3ccco3)C2)[nH]1 ZINC000244874129 382994676 /nfs/dbraw/zinc/99/46/76/382994676.db2.gz WUWKUXOGHUNPIP-ZDUSSCGKSA-N 1 0 274.368 2.518 50 0 CFAARO c1n[nH]cc1CC[N@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000244900046 382995434 /nfs/dbraw/zinc/99/54/34/382995434.db2.gz ZVDPURHPBDKLOA-KRWDZBQOSA-N 1 0 284.407 2.835 50 0 CFAARO CC(=O)O[C@@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C)[C@H]1C ZINC000245257355 382996714 /nfs/dbraw/zinc/99/67/14/382996714.db2.gz YNNDIBSJMPQCKB-JKIFEVAISA-N 1 0 275.392 2.891 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000247031244 383134710 /nfs/dbraw/zinc/13/47/10/383134710.db2.gz PHNYQWNEOKGUDD-JLSDUUJJSA-N 1 0 298.430 2.699 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+]Cc2cc3ccccc3n2C)CCN1C ZINC000585118626 383114729 /nfs/dbraw/zinc/11/47/29/383114729.db2.gz WCFJVJDFJXUAKJ-HIFRSBDPSA-N 1 0 271.408 2.751 50 0 CFAARO CC[C@H](C[NH2+][C@@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000339001032 383116154 /nfs/dbraw/zinc/11/61/54/383116154.db2.gz YDIZJESHDGKBOM-GDBMZVCRSA-N 1 0 286.419 2.971 50 0 CFAARO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000247385967 383169140 /nfs/dbraw/zinc/16/91/40/383169140.db2.gz UYRGXYCQDHNZCI-QXSJWSMHSA-N 1 0 293.455 2.691 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000248161021 383215957 /nfs/dbraw/zinc/21/59/57/383215957.db2.gz XMTXBSCSRYHILS-HUUCEWRRSA-N 1 0 294.345 2.664 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000248160958 383216017 /nfs/dbraw/zinc/21/60/17/383216017.db2.gz XLXLCEMQXVMLKW-UONOGXRCSA-N 1 0 294.345 2.664 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cncc(F)c1 ZINC000248729837 383285489 /nfs/dbraw/zinc/28/54/89/383285489.db2.gz OGOYOIRALYDIKH-CJYSPXJISA-N 1 0 276.355 2.829 50 0 CFAARO Cc1nsc(N2CCC3(CCC([NH+](C)C)CC3)CC2)n1 ZINC000521395059 383294871 /nfs/dbraw/zinc/29/48/71/383294871.db2.gz AVYIZRAUFOLIPR-UHFFFAOYSA-N 1 0 294.468 2.937 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H]2C(C)=CCC[C@H]2C)C1 ZINC000249062783 383323954 /nfs/dbraw/zinc/32/39/54/383323954.db2.gz IEDCSKIRYDVMMG-DJIMGWMZSA-N 1 0 278.440 2.779 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000249098799 383326664 /nfs/dbraw/zinc/32/66/64/383326664.db2.gz OZHFYBVNJNQYPR-CWRNSKLLSA-N 1 0 297.464 2.630 50 0 CFAARO c1cc([C@H]2CCC[N@@H+](CCn3cnc4ccccc43)C2)n[nH]1 ZINC000252505373 383415136 /nfs/dbraw/zinc/41/51/36/383415136.db2.gz VQOAZHBTSIFAKT-AWEZNQCLSA-N 1 0 295.390 2.639 50 0 CFAARO COCc1nnc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)[nH]1 ZINC000426431779 383400407 /nfs/dbraw/zinc/40/04/07/383400407.db2.gz JLJQYLWNKUCFLS-GFCCVEGCSA-N 1 0 286.379 2.775 50 0 CFAARO C[C@@H](c1ccc(-c2cnc3nccnc3n2)cc1)[NH+](C)C ZINC000426536009 383404232 /nfs/dbraw/zinc/40/42/32/383404232.db2.gz ZZBYNWQHYUQHQQ-NSHDSACASA-N 1 0 279.347 2.709 50 0 CFAARO C[N@H+](CCCc1cccnc1)C[C@H]1Cc2ccccc2O1 ZINC000252481474 383411594 /nfs/dbraw/zinc/41/15/94/383411594.db2.gz CMUPOZKKLXZCIF-QGZVFWFLSA-N 1 0 282.387 2.950 50 0 CFAARO O=C1CCCN1CC[N@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000252487700 383412922 /nfs/dbraw/zinc/41/29/22/383412922.db2.gz IACZLKFIBGVHIU-MRXNPFEDSA-N 1 0 290.382 2.975 50 0 CFAARO Cc1nc(CN2CC([N@H+]3CCCC[C@H]3C)C2)cs1 ZINC000252489617 383413034 /nfs/dbraw/zinc/41/30/34/383413034.db2.gz JUVPONZZZFLMCX-LLVKDONJSA-N 1 0 265.426 2.510 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccsc1 ZINC000249685239 383355945 /nfs/dbraw/zinc/35/59/45/383355945.db2.gz FPOZPKDBTRNYFN-ZIAGYGMSSA-N 1 0 278.421 2.837 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000249691126 383355995 /nfs/dbraw/zinc/35/59/95/383355995.db2.gz LBYAHKCQUBZAAZ-ARFHVFGLSA-N 1 0 276.424 2.818 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccs1 ZINC000249700020 383356438 /nfs/dbraw/zinc/35/64/38/383356438.db2.gz XEOLJAKNIMBNBW-QWHCGFSZSA-N 1 0 278.421 2.837 50 0 CFAARO Cc1nccn1CCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000252499203 383413997 /nfs/dbraw/zinc/41/39/97/383413997.db2.gz RWYNFCWGZFGTDV-INIZCTEOSA-N 1 0 270.380 2.814 50 0 CFAARO O[C@H](C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000253369791 383452051 /nfs/dbraw/zinc/45/20/51/383452051.db2.gz IDVFDBRLLWXNQP-NWDGAFQWSA-N 1 0 277.261 2.886 50 0 CFAARO CC(C)(C)SCC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000253393835 383454575 /nfs/dbraw/zinc/45/45/75/383454575.db2.gz SWRCFQFSKWFYSY-UHFFFAOYSA-N 1 0 298.496 2.995 50 0 CFAARO COC[C@H]1CCC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000253393296 383454695 /nfs/dbraw/zinc/45/46/95/383454695.db2.gz YZNGYNJFPLSVNR-HOCLYGCPSA-N 1 0 263.381 2.733 50 0 CFAARO C[NH+](C)C[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1 ZINC000253393155 383455229 /nfs/dbraw/zinc/45/52/29/383455229.db2.gz VJWQWLJQQHRUSW-CQSZACIVSA-N 1 0 292.766 2.966 50 0 CFAARO c1cn(CCC[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cn1 ZINC000253427091 383459078 /nfs/dbraw/zinc/45/90/78/383459078.db2.gz DDJHDHAJTHHMTI-MRXNPFEDSA-N 1 0 277.412 2.554 50 0 CFAARO CC(=O)N1CC[N@H+](C[C@H]2CCC=CO2)CC12CCCCC2 ZINC000253429313 383459569 /nfs/dbraw/zinc/45/95/69/383459569.db2.gz SRJJCNJPEHQKRJ-MRXNPFEDSA-N 1 0 292.423 2.546 50 0 CFAARO Cc1ccc([C@H]([NH2+]C[C@@]2(O)CCOC2)c2ccccc2)cc1 ZINC000252527743 383417058 /nfs/dbraw/zinc/41/70/58/383417058.db2.gz DGDNJHLXHJNCQS-MOPGFXCFSA-N 1 0 297.398 2.825 50 0 CFAARO Cc1cc(NCCc2ccc3c(c2)CCO3)cc[nH+]1 ZINC000252538676 383418606 /nfs/dbraw/zinc/41/86/06/383418606.db2.gz NDFHFBKMOPQUNO-UHFFFAOYSA-N 1 0 254.333 2.980 50 0 CFAARO C[C@H](C[S@](C)=O)[N@H+](C)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000252549034 383419314 /nfs/dbraw/zinc/41/93/14/383419314.db2.gz QQBHOFARDQATET-ACQVZOFHSA-N 1 0 285.375 2.806 50 0 CFAARO O=C(c1ccncc1)N1CCCCC[C@@H]1C[NH+]1CCCC1 ZINC000257178494 383489805 /nfs/dbraw/zinc/48/98/05/383489805.db2.gz GMCJUZOBYRQZNK-MRXNPFEDSA-N 1 0 287.407 2.562 50 0 CFAARO CCNC(=O)N1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000257190721 383492037 /nfs/dbraw/zinc/49/20/37/383492037.db2.gz OYLOUOLNOHKPBK-HNNXBMFYSA-N 1 0 281.444 2.692 50 0 CFAARO Cc1nc(C)c(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])s1 ZINC000262942773 383645737 /nfs/dbraw/zinc/64/57/37/383645737.db2.gz IXPQDGYQYBTWBA-ZWNOBZJWSA-N 1 0 267.398 2.606 50 0 CFAARO CCN(Cc1ccccc1C)C(=O)[C@@H]([NH3+])CC(C)C ZINC000036199782 285117381 /nfs/dbraw/zinc/11/73/81/285117381.db2.gz UKYPLKRTARJUTH-HNNXBMFYSA-N 1 0 262.397 2.717 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280348907 384983231 /nfs/dbraw/zinc/98/32/31/384983231.db2.gz IEGMFNHXAZMZLV-YCPHGPKFSA-N 1 0 261.365 2.627 50 0 CFAARO CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000119472622 412995330 /nfs/dbraw/zinc/99/53/30/412995330.db2.gz PHNMJOXJYDAQFK-QWHCGFSZSA-N 1 0 279.432 2.778 50 0 CFAARO Cc1cc(C)cc([C@H](O)C[NH2+]C2CCSCC2)c1 ZINC000283086016 385433961 /nfs/dbraw/zinc/43/39/61/385433961.db2.gz WAFDQHBVDLQKJD-OAHLLOKOSA-N 1 0 265.422 2.822 50 0 CFAARO Cn1nncc1C[NH2+]CCCCc1ccc(Cl)s1 ZINC000284125880 385537652 /nfs/dbraw/zinc/53/76/52/385537652.db2.gz XTCJFCZQMZUYKG-UHFFFAOYSA-N 1 0 284.816 2.643 50 0 CFAARO COc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000096493661 533156638 /nfs/dbraw/zinc/15/66/38/533156638.db2.gz WHZXLODWUHMEOH-INWMFGNUSA-N 1 0 263.381 2.549 50 0 CFAARO Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1cccnc1)C(C)C ZINC000096424393 256758474 /nfs/dbraw/zinc/75/84/74/256758474.db2.gz JHTUUMRBVPPLRO-MRXNPFEDSA-N 1 0 298.390 2.710 50 0 CFAARO C[N@H+](CCOC[C@H]1CCCO1)Cc1ccc(F)c(F)c1 ZINC000096421063 256760951 /nfs/dbraw/zinc/76/09/51/256760951.db2.gz DRGBEOGUPDAYBY-CYBMUJFWSA-N 1 0 285.334 2.592 50 0 CFAARO C[NH+](C)CCn1ccc2cc(NC(=O)C3CCC3)ccc21 ZINC000051434183 256876920 /nfs/dbraw/zinc/87/69/20/256876920.db2.gz GYBQBMKRXFYOGI-UHFFFAOYSA-N 1 0 285.391 2.942 50 0 CFAARO O[C@H](C[NH+]1CCC(C(F)(F)F)CC1)c1ccccc1 ZINC000088432961 285348847 /nfs/dbraw/zinc/34/88/47/285348847.db2.gz SBUDTEDYHMIXSQ-CYBMUJFWSA-N 1 0 273.298 2.994 50 0 CFAARO c1coc(-c2n[nH]c(CC[NH2+]C[C@H]3CC=CCC3)n2)c1 ZINC000095434013 184983394 /nfs/dbraw/zinc/98/33/94/184983394.db2.gz DAYJWRRXBXYWKG-LBPRGKRZSA-N 1 0 272.352 2.553 50 0 CFAARO Cc1ncc(C[NH2+][C@@H](CCO)C2CCCCC2)s1 ZINC000095448789 184989569 /nfs/dbraw/zinc/98/95/69/184989569.db2.gz OFQXBLBKSDVPFA-AWEZNQCLSA-N 1 0 268.426 2.872 50 0 CFAARO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccco1 ZINC000096476323 533411101 /nfs/dbraw/zinc/41/11/01/533411101.db2.gz OTFAWDSTSPBOAS-ZDUSSCGKSA-N 1 0 264.369 2.550 50 0 CFAARO CC[C@H]1C[N@H+](CCn2cncn2)CC[C@H]1c1ccccc1 ZINC000241326154 131080250 /nfs/dbraw/zinc/08/02/50/131080250.db2.gz LZQBVWKWBCVNTA-DOTOQJQBSA-N 1 0 284.407 2.794 50 0 CFAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252486305 131135016 /nfs/dbraw/zinc/13/50/16/131135016.db2.gz IASQAAZHIYLUCQ-YLFCFFPRSA-N 1 0 289.419 2.647 50 0 CFAARO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc2scnc2c1 ZINC000262627642 131244227 /nfs/dbraw/zinc/24/42/27/131244227.db2.gz REGZXPGZFWEPAO-LLVKDONJSA-N 1 0 263.366 2.608 50 0 CFAARO COc1cc2c(cc1C[N@H+](C)CCCn1cccn1)CCC2 ZINC000824616705 781995288 /nfs/dbraw/zinc/99/52/88/781995288.db2.gz HJJCUCFLIPEXIK-UHFFFAOYSA-N 1 0 299.418 2.903 50 0 CFAARO Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000004149137 393457674 /nfs/dbraw/zinc/45/76/74/393457674.db2.gz ANUPZHOTTNGHAV-CQSZACIVSA-N 1 0 277.331 2.632 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000006007981 393462906 /nfs/dbraw/zinc/46/29/06/393462906.db2.gz CHVNFIJIWPRKTE-ZDUSSCGKSA-N 1 0 252.402 2.700 50 0 CFAARO COc1cccc([C@@H](C)NC(=O)C[NH+]2CCCCCC2)c1 ZINC000824787271 781996897 /nfs/dbraw/zinc/99/68/97/781996897.db2.gz VPRQXOFSLMXHKZ-CQSZACIVSA-N 1 0 290.407 2.748 50 0 CFAARO CC(C)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000053392033 393619324 /nfs/dbraw/zinc/61/93/24/393619324.db2.gz QKJUGQMOVOZXMO-CYBMUJFWSA-N 1 0 254.418 2.659 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000070172602 393637319 /nfs/dbraw/zinc/63/73/19/393637319.db2.gz OQRFJHMTGVOCOM-UONOGXRCSA-N 1 0 260.381 2.503 50 0 CFAARO CCOC[C@H](O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000071904901 393641402 /nfs/dbraw/zinc/64/14/02/393641402.db2.gz XNNNAJJIHOMQNB-MRXNPFEDSA-N 1 0 277.408 2.572 50 0 CFAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096478252 393834918 /nfs/dbraw/zinc/83/49/18/393834918.db2.gz IASQAAZHIYLUCQ-NXOAAHMSSA-N 1 0 289.419 2.647 50 0 CFAARO CC1CCC(C[N@@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000091896344 393785168 /nfs/dbraw/zinc/78/51/68/393785168.db2.gz GHEFVYBGBNDMHZ-UHFFFAOYSA-N 1 0 267.413 2.694 50 0 CFAARO C[NH+](C)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000095081592 393811554 /nfs/dbraw/zinc/81/15/54/393811554.db2.gz SVHSCZQZKLKGJI-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO CC(C)CO[C@H]1C[C@H]([N@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009223 393813951 /nfs/dbraw/zinc/81/39/51/393813951.db2.gz QEYALEIOZVTYGS-GJZGRUSLSA-N 1 0 296.455 2.556 50 0 CFAARO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C\c1nccs1 ZINC000096257378 393818111 /nfs/dbraw/zinc/81/81/11/393818111.db2.gz COKMXPIQPBTEPB-YXVBKTCISA-N 1 0 295.452 2.783 50 0 CFAARO CC[C@H]1CN(C/C=C\c2ccccc2)CC[N@@H+]1CCOC ZINC000096295239 393818689 /nfs/dbraw/zinc/81/86/89/393818689.db2.gz FZFZXVGZUCIDDD-VOCYLRNQSA-N 1 0 288.435 2.742 50 0 CFAARO CC[NH+](CC)CC(=O)N1C[C@H](c2ccsc2)C[C@@H]1C ZINC000096421767 393828602 /nfs/dbraw/zinc/82/86/02/393828602.db2.gz GSQLZUGUPORPMH-GXTWGEPZSA-N 1 0 280.437 2.794 50 0 CFAARO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CC=CCC2)CC1 ZINC000096429073 393830289 /nfs/dbraw/zinc/83/02/89/393830289.db2.gz OTZMLHDOHGUWKZ-ZDUSSCGKSA-N 1 0 264.413 2.722 50 0 CFAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC000096432450 393832787 /nfs/dbraw/zinc/83/27/87/393832787.db2.gz JAQHZORBDHAHRD-STQMWFEESA-N 1 0 280.437 2.652 50 0 CFAARO CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NC1CC[NH+](C)CC1 ZINC000096435927 393833540 /nfs/dbraw/zinc/83/35/40/393833540.db2.gz URAQFXRFZPGAHH-IMJJTQAJSA-N 1 0 296.455 2.571 50 0 CFAARO Cc1cccc(C2(NC(=O)C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000426387345 393888256 /nfs/dbraw/zinc/88/82/56/393888256.db2.gz WNGVYYXECLREHC-INIZCTEOSA-N 1 0 286.419 2.975 50 0 CFAARO Cc1cccc(C2(NC(=O)C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000426387346 393888318 /nfs/dbraw/zinc/88/83/18/393888318.db2.gz WNGVYYXECLREHC-MRXNPFEDSA-N 1 0 286.419 2.975 50 0 CFAARO Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(Cl)s1)C2 ZINC000097198525 393840868 /nfs/dbraw/zinc/84/08/68/393840868.db2.gz JPJUTFRYTVVTBT-VIFPVBQESA-N 1 0 295.795 2.651 50 0 CFAARO [NH2+]=C1CCCN1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000102924766 393853275 /nfs/dbraw/zinc/85/32/75/393853275.db2.gz WELWXNHDBUTOQA-UHFFFAOYSA-N 1 0 260.381 2.845 50 0 CFAARO Cc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCCC3)o1 ZINC000103655225 393857463 /nfs/dbraw/zinc/85/74/63/393857463.db2.gz QKSVHLPTQSAZJH-UHFFFAOYSA-N 1 0 275.328 2.786 50 0 CFAARO Cc1cnccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000252511631 393936817 /nfs/dbraw/zinc/93/68/17/393936817.db2.gz IWCLPZAQHOGIPC-GVDBMIGSSA-N 1 0 286.419 2.870 50 0 CFAARO [NH3+]Cc1cc(F)cc(Br)c1Br ZINC000263623064 393964132 /nfs/dbraw/zinc/96/41/32/393964132.db2.gz DJXVZUAJUVWBLI-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO C[C@@H]1CCN(c2cnccn2)CC[N@@H+]1Cc1ccccc1 ZINC000266198403 393980184 /nfs/dbraw/zinc/98/01/84/393980184.db2.gz INXNERIAPVQRCT-OAHLLOKOSA-N 1 0 282.391 2.577 50 0 CFAARO CC(C)[NH2+]C[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000125729442 394012398 /nfs/dbraw/zinc/01/23/98/394012398.db2.gz OOSYBHPKLURJSF-NEPJUHHUSA-N 1 0 286.416 2.745 50 0 CFAARO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000170048002 394371139 /nfs/dbraw/zinc/37/11/39/394371139.db2.gz GHETVOZRGONORR-GJZGRUSLSA-N 1 0 272.392 2.568 50 0 CFAARO C[C@@H](CCO)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000170064027 394371235 /nfs/dbraw/zinc/37/12/35/394371235.db2.gz IMYYSPWFYCDOOR-XHDPSFHLSA-N 1 0 251.345 2.811 50 0 CFAARO CCc1nc(C[N@H+]([C@H](C)CO)C2CCCC2)cs1 ZINC000170607233 394371543 /nfs/dbraw/zinc/37/15/43/394371543.db2.gz DTUSIRTVCUOTNJ-LLVKDONJSA-N 1 0 268.426 2.831 50 0 CFAARO O=[n+]1c(-c2ccc(Cl)cc2)cn(O)c2c1CCCC2 ZINC000334157376 296523154 /nfs/dbraw/zinc/52/31/54/296523154.db2.gz VKTFGOUTAOHADO-UHFFFAOYSA-N 1 0 277.731 2.839 50 0 CFAARO COc1ncc(C[N@H+](C)CCn2ccc3ccccc32)cn1 ZINC000824851750 781998536 /nfs/dbraw/zinc/99/85/36/781998536.db2.gz CJBANUOCWAGEEI-UHFFFAOYSA-N 1 0 296.374 2.572 50 0 CFAARO COc1ncc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000824851794 781998922 /nfs/dbraw/zinc/99/89/22/781998922.db2.gz HSBSPLIZNWVGSR-CQSZACIVSA-N 1 0 287.338 2.614 50 0 CFAARO Cc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCC3)cc1 ZINC000104062029 397595686 /nfs/dbraw/zinc/59/56/86/397595686.db2.gz CYKGTNDMKWRBRX-UHFFFAOYSA-N 1 0 271.340 2.803 50 0 CFAARO Cc1cc(C)nc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000108474929 397598051 /nfs/dbraw/zinc/59/80/51/397598051.db2.gz PJCCZRKVSFOUIU-TZMCWYRMSA-N 1 0 290.411 2.502 50 0 CFAARO COc1nc(-c2ccc([C@H](C)[NH+](C)C)cc2)ncc1F ZINC000215096895 397619399 /nfs/dbraw/zinc/61/93/99/397619399.db2.gz GSJGMBWLWNIBCO-JTQLQIEISA-N 1 0 275.327 2.914 50 0 CFAARO Cc1cc(Cl)ccc1C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000215151850 397619441 /nfs/dbraw/zinc/61/94/41/397619441.db2.gz WWJXPYFQYNWQJK-CYBMUJFWSA-N 1 0 280.799 2.863 50 0 CFAARO COc1cccc(NC2CC[NH+](C[C@H](O)C(C)C)CC2)c1 ZINC000374092387 157068057 /nfs/dbraw/zinc/06/80/57/157068057.db2.gz DIVKRTSKZAWUQI-KRWDZBQOSA-N 1 0 292.423 2.588 50 0 CFAARO C[C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000078894857 296789851 /nfs/dbraw/zinc/78/98/51/296789851.db2.gz FHJRINOTVHZLKE-IUODEOHRSA-N 1 0 292.398 2.512 50 0 CFAARO CC[C@@H]1C[N@H+](CCSC(C)(C)C)C[C@@]2(CCOC2)O1 ZINC000252489601 287196477 /nfs/dbraw/zinc/19/64/77/287196477.db2.gz JUQMONLPBJRHHO-UKRRQHHQSA-N 1 0 287.469 2.788 50 0 CFAARO CC(C)C[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000002655928 169818870 /nfs/dbraw/zinc/81/88/70/169818870.db2.gz YFQXFXKUDBBXSA-WBVHZDCISA-N 1 0 277.408 2.687 50 0 CFAARO COCC[NH2+]CCOc1c(Cl)cccc1Cl ZINC000002932581 169844739 /nfs/dbraw/zinc/84/47/39/169844739.db2.gz FEOIIPBICXQDRA-UHFFFAOYSA-N 1 0 264.152 2.608 50 0 CFAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2)C1 ZINC000003003085 169848885 /nfs/dbraw/zinc/84/88/85/169848885.db2.gz DCDAFJIPLAOGCH-OAHLLOKOSA-N 1 0 263.381 2.814 50 0 CFAARO C=Cc1cc(OC)c(OC)c(OC)c1[C@@H](C)[NH+](C)C ZINC000004566044 169984370 /nfs/dbraw/zinc/98/43/70/169984370.db2.gz JZHDOVIGNCGWQJ-SNVBAGLBSA-N 1 0 265.353 2.978 50 0 CFAARO CCOc1c(Br)cc(C[NH2+]C)cc1OC ZINC000004657516 169994705 /nfs/dbraw/zinc/99/47/05/169994705.db2.gz ZTNBWKVVDYPVRZ-UHFFFAOYSA-N 1 0 274.158 2.576 50 0 CFAARO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000004760336 170012755 /nfs/dbraw/zinc/01/27/55/170012755.db2.gz ZHMISQRQHZSXRG-HNNXBMFYSA-N 1 0 275.396 2.909 50 0 CFAARO CCC[NH+](CCC)CCCn1c2ccccc2[nH]c1=O ZINC000004821454 170023327 /nfs/dbraw/zinc/02/33/27/170023327.db2.gz OUOROQZSURGYJI-UHFFFAOYSA-N 1 0 275.396 2.842 50 0 CFAARO COc1cccc(C=O)c1OCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004870079 170034802 /nfs/dbraw/zinc/03/48/02/170034802.db2.gz YWQUOYDUMPEZAE-OKILXGFUSA-N 1 0 291.391 2.864 50 0 CFAARO COc1ccc(-c2ccc(C[NH2+]CCO)o2)cc1Cl ZINC000004942937 170043669 /nfs/dbraw/zinc/04/36/69/170043669.db2.gz XZFBDOANSMQHKJ-UHFFFAOYSA-N 1 0 281.739 2.691 50 0 CFAARO Cc1ccc2[nH]c(=O)c(C[NH2+]Cc3cccnc3)cc2c1 ZINC000004993345 170051228 /nfs/dbraw/zinc/05/12/28/170051228.db2.gz HDGIIQWTSNCZDI-UHFFFAOYSA-N 1 0 279.343 2.521 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OCC ZINC000005019248 170056558 /nfs/dbraw/zinc/05/65/58/170056558.db2.gz FDKYOYPHYGFWCC-CQSZACIVSA-N 1 0 279.380 2.753 50 0 CFAARO O[C@H](C[NH2+]C1CCCC1)COc1ccc(Cl)cc1 ZINC000005050811 170061121 /nfs/dbraw/zinc/06/11/21/170061121.db2.gz XRBSUFANRDQJGJ-CYBMUJFWSA-N 1 0 269.772 2.612 50 0 CFAARO CC1CC[NH+](C[C@H](O)c2c[nH]c3ccccc23)CC1 ZINC000005184409 170074904 /nfs/dbraw/zinc/07/49/04/170074904.db2.gz HOSVVVGRZCIEPJ-INIZCTEOSA-N 1 0 258.365 2.933 50 0 CFAARO CC[NH+](CC)CCCNc1ncnc2oc(C)c(C)c21 ZINC000005351210 170088769 /nfs/dbraw/zinc/08/87/69/170088769.db2.gz IBGOSAVCJQZGMZ-UHFFFAOYSA-N 1 0 276.384 2.983 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2OC)c(OC)c1 ZINC000005513309 170106416 /nfs/dbraw/zinc/10/64/16/170106416.db2.gz VGVVCKXPXVZCQP-LSDHHAIUSA-N 1 0 279.380 2.751 50 0 CFAARO C[N@H+]([C@H]1CC(=O)N(c2ccccc2)C1=O)C1CCCCC1 ZINC000005719603 170132657 /nfs/dbraw/zinc/13/26/57/170132657.db2.gz FKFWODBWXIEGEP-HNNXBMFYSA-N 1 0 286.375 2.583 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1 ZINC000005912247 170154305 /nfs/dbraw/zinc/15/43/05/170154305.db2.gz RMVNPEWAEINXLO-QLFBSQMISA-N 1 0 263.381 2.689 50 0 CFAARO CC(C)(C)OC[C@H](O)C[NH2+]C1CCCCCCC1 ZINC000006186819 170181704 /nfs/dbraw/zinc/18/17/04/170181704.db2.gz UUCBCPFJHNHOIM-CQSZACIVSA-N 1 0 257.418 2.865 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000006556678 170213401 /nfs/dbraw/zinc/21/34/01/170213401.db2.gz VXWCVTFAHVMOOZ-ZBFHGGJFSA-N 1 0 277.408 2.775 50 0 CFAARO Brc1ccc(NC[C@H]2CCC[NH2+]2)cc1 ZINC000006658200 170223061 /nfs/dbraw/zinc/22/30/61/170223061.db2.gz GUBWWONNUJWMOH-LLVKDONJSA-N 1 0 255.159 2.613 50 0 CFAARO CCOc1ccccc1NC(=O)NCC[NH+]1CCCCC1 ZINC000006700133 170228639 /nfs/dbraw/zinc/22/86/39/170228639.db2.gz NGEBLQFRXBNAKH-UHFFFAOYSA-N 1 0 291.395 2.693 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccccc2C=O)C1 ZINC000006701092 170229274 /nfs/dbraw/zinc/22/92/74/170229274.db2.gz ZTEAACLPCHETDX-KBPBESRZSA-N 1 0 261.365 2.856 50 0 CFAARO COc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000006731084 170235605 /nfs/dbraw/zinc/23/56/05/170235605.db2.gz IFAVUKIIXHMDDE-LBPRGKRZSA-N 1 0 262.353 2.508 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000006731293 170235673 /nfs/dbraw/zinc/23/56/73/170235673.db2.gz MFZBXAPDXSDDEC-UHFFFAOYSA-N 1 0 291.395 2.563 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2)CC1 ZINC000006742072 170237555 /nfs/dbraw/zinc/23/75/55/170237555.db2.gz VCOWYYLNOMWKPW-UHFFFAOYSA-N 1 0 275.396 2.991 50 0 CFAARO Cc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000006741712 170237702 /nfs/dbraw/zinc/23/77/02/170237702.db2.gz MQCQWHGBIKAMOR-UHFFFAOYSA-N 1 0 261.369 2.602 50 0 CFAARO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006742348 170238235 /nfs/dbraw/zinc/23/82/35/170238235.db2.gz BYCANJZNVQQBMF-ZDUSSCGKSA-N 1 0 276.380 2.756 50 0 CFAARO Cc1c(C)n(CCc2ccccc2)c2nc[nH+]c(NN)c12 ZINC000006760628 170241705 /nfs/dbraw/zinc/24/17/05/170241705.db2.gz YBLVTVDFYUJRDV-UHFFFAOYSA-N 1 0 281.363 2.576 50 0 CFAARO Cc1cc(C)c2c(n1)oc1c2ncnc1NCCC[NH+](C)C ZINC000006764316 170242062 /nfs/dbraw/zinc/24/20/62/170242062.db2.gz DDNWLXHIQMRELL-UHFFFAOYSA-N 1 0 299.378 2.751 50 0 CFAARO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000006968316 170259659 /nfs/dbraw/zinc/25/96/59/170259659.db2.gz XAONJZAKHYIUSQ-QWRGUYRKSA-N 1 0 268.788 2.904 50 0 CFAARO COc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000007446698 170285112 /nfs/dbraw/zinc/28/51/12/170285112.db2.gz DAAPEPXQOIZMIL-CYBMUJFWSA-N 1 0 276.380 2.754 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000007636287 170294434 /nfs/dbraw/zinc/29/44/34/170294434.db2.gz VFTQWCJTJYHRER-SFHVURJKSA-N 1 0 297.398 2.793 50 0 CFAARO Nc1cc(N)[nH+]c(SCc2ncc(-c3ccccc3)o2)n1 ZINC000007692703 170297807 /nfs/dbraw/zinc/29/78/07/170297807.db2.gz AJHSTKPCGGIXPH-UHFFFAOYSA-N 1 0 299.359 2.588 50 0 CFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc[nH]1 ZINC000007718344 170298779 /nfs/dbraw/zinc/29/87/79/170298779.db2.gz ZIFIXIXMTAVUPQ-UHFFFAOYSA-N 1 0 283.375 2.541 50 0 CFAARO Cc1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000009155947 170364992 /nfs/dbraw/zinc/36/49/92/170364992.db2.gz QJHLUIQACYTESA-UHFFFAOYSA-N 1 0 268.360 2.726 50 0 CFAARO CCOc1ccc(C[NH2+]CCOC)cc1Br ZINC000010475323 170408373 /nfs/dbraw/zinc/40/83/73/170408373.db2.gz YKUSIWNVNPDZIY-UHFFFAOYSA-N 1 0 288.185 2.584 50 0 CFAARO Cc1c([C@@H](C)[NH2+]Cc2cnn(C)c2)cnn1-c1ccccc1 ZINC000012757406 170508173 /nfs/dbraw/zinc/50/81/73/170508173.db2.gz MATVSFUILULQHM-CYBMUJFWSA-N 1 0 295.390 2.765 50 0 CFAARO CC(C)[C@@H](CC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000013729996 170583089 /nfs/dbraw/zinc/58/30/89/170583089.db2.gz SQWCPMIFOWFDHL-MRXNPFEDSA-N 1 0 276.424 2.884 50 0 CFAARO CCOCCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013731578 170583118 /nfs/dbraw/zinc/58/31/18/170583118.db2.gz WYLQBRLVVQNFFT-UHFFFAOYSA-N 1 0 287.363 2.785 50 0 CFAARO CC[NH2+]CCOc1ccc(C)cc1Br ZINC000016527047 170701180 /nfs/dbraw/zinc/70/11/80/170701180.db2.gz ZPANXGDNCQKAPX-UHFFFAOYSA-N 1 0 258.159 2.746 50 0 CFAARO Clc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019947857 170937688 /nfs/dbraw/zinc/93/76/88/170937688.db2.gz YUHKRPGUMXSZEP-CQSZACIVSA-N 1 0 250.773 2.524 50 0 CFAARO O=C(CCc1ccco1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000020149273 171037621 /nfs/dbraw/zinc/03/76/21/171037621.db2.gz BQKXKLVZWXVQCD-OAHLLOKOSA-N 1 0 290.407 2.547 50 0 CFAARO O[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000020218789 171082496 /nfs/dbraw/zinc/08/24/96/171082496.db2.gz OMKPBKIXBACXLH-IBGZPJMESA-N 1 0 296.414 2.538 50 0 CFAARO c1c[nH]c(CN[C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000020234990 171095085 /nfs/dbraw/zinc/09/50/85/171095085.db2.gz LXQYIIZUSFFAKH-HNNXBMFYSA-N 1 0 276.428 2.544 50 0 CFAARO CSCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000020539299 171241501 /nfs/dbraw/zinc/24/15/01/171241501.db2.gz NCEUVMQXCDDGQA-HUUCEWRRSA-N 1 0 297.464 2.774 50 0 CFAARO COC(=O)C[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000020577499 171256358 /nfs/dbraw/zinc/25/63/58/171256358.db2.gz FAOYZMMSUOXJNE-OAHLLOKOSA-N 1 0 255.317 2.917 50 0 CFAARO CC(C)Oc1cccc(OCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020652976 171268873 /nfs/dbraw/zinc/26/88/73/171268873.db2.gz VITBNTOTHBSZCC-HUUCEWRRSA-N 1 0 293.407 2.962 50 0 CFAARO Cc1ccc(SCCCN2CCOCC2)cc1 ZINC000020653029 171269060 /nfs/dbraw/zinc/26/90/60/171269060.db2.gz NPTPWUUCDCCKSN-UHFFFAOYSA-N 1 0 251.395 2.809 50 0 CFAARO C[C@@H]1C[NH+](CCSc2ccccc2)C[C@@H](C)O1 ZINC000020653612 171269403 /nfs/dbraw/zinc/26/94/03/171269403.db2.gz PUEXDBWZCWWBQD-CHWSQXEVSA-N 1 0 251.395 2.888 50 0 CFAARO CCCOc1cccc(C[NH2+]CCCn2ccnc2)c1 ZINC000020925064 171279970 /nfs/dbraw/zinc/27/99/70/171279970.db2.gz KIJBPDQQQWSYPS-UHFFFAOYSA-N 1 0 273.380 2.852 50 0 CFAARO CCCOc1ccc(Cl)cc1CNCCC[NH2+]C ZINC000020967783 171282797 /nfs/dbraw/zinc/28/27/97/171282797.db2.gz YAATVLYKZUMRRU-UHFFFAOYSA-N 1 0 270.804 2.828 50 0 CFAARO C[NH+](C)CCn1cnc2scc(-c3ccccc3)c2c1=O ZINC000021790172 171323173 /nfs/dbraw/zinc/32/31/73/171323173.db2.gz YIQCFDJUSPLRCU-UHFFFAOYSA-N 1 0 299.399 2.687 50 0 CFAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000022215731 171375317 /nfs/dbraw/zinc/37/53/17/171375317.db2.gz SYMRXAKJCMBHJY-RDBSUJKOSA-N 1 0 271.445 2.967 50 0 CFAARO Clc1ccc(OCCCN2CC[NH2+]CC2)cc1Cl ZINC000022942782 171405625 /nfs/dbraw/zinc/40/56/25/171405625.db2.gz OSUJEIONXSQMSS-UHFFFAOYSA-N 1 0 289.206 2.668 50 0 CFAARO CC(C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000024866326 171442824 /nfs/dbraw/zinc/44/28/24/171442824.db2.gz IODBWCWUPLJQCB-UHFFFAOYSA-N 1 0 289.423 2.880 50 0 CFAARO Cc1occc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000029787788 171609290 /nfs/dbraw/zinc/60/92/90/171609290.db2.gz FUUCWAJXDQQUCG-UHFFFAOYSA-N 1 0 264.369 2.627 50 0 CFAARO C[C@H](Cn1ccnc1)[NH2+]Cc1cc2ccccc2o1 ZINC000035275295 172095199 /nfs/dbraw/zinc/09/51/99/172095199.db2.gz ZHYVUKDRJZBBRY-GFCCVEGCSA-N 1 0 255.321 2.808 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000106077623 287271029 /nfs/dbraw/zinc/27/10/29/287271029.db2.gz QFJKRIBSYITRKW-ZYHUDNBSSA-N 1 0 293.238 2.561 50 0 CFAARO COc1cc(C[NH2+]CC2CCCC2)cc(OC)c1OC ZINC000037252136 173063526 /nfs/dbraw/zinc/06/35/26/173063526.db2.gz XLJCNXFZXNCRPN-UHFFFAOYSA-N 1 0 279.380 2.992 50 0 CFAARO CSCc1ccc(C[NH2+][C@H](C)Cn2cccn2)o1 ZINC000037320079 173119621 /nfs/dbraw/zinc/11/96/21/173119621.db2.gz IBPPQNQQSUGERQ-LLVKDONJSA-N 1 0 265.382 2.517 50 0 CFAARO O=C(Nc1ccccc1)Nc1cccc2c1CC[NH2+]C2 ZINC000037372848 173162452 /nfs/dbraw/zinc/16/24/52/173162452.db2.gz LVJUMRRTDBONLX-UHFFFAOYSA-N 1 0 267.332 2.976 50 0 CFAARO CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037497442 173236717 /nfs/dbraw/zinc/23/67/17/173236717.db2.gz VBDSLKXIVBRYGF-NSHDSACASA-N 1 0 287.190 2.704 50 0 CFAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CCCCC1 ZINC000037509912 173243212 /nfs/dbraw/zinc/24/32/12/173243212.db2.gz MSFFVDIOHMUKSL-UHFFFAOYSA-N 1 0 256.353 2.894 50 0 CFAARO O=C(CCC1CCCC1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037915904 173850012 /nfs/dbraw/zinc/85/00/12/173850012.db2.gz QRVLGYMQEHVTCQ-MRXNPFEDSA-N 1 0 278.440 2.947 50 0 CFAARO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000195560415 287283952 /nfs/dbraw/zinc/28/39/52/287283952.db2.gz VQPBCXLSNVDNAQ-HUUCEWRRSA-N 1 0 267.413 2.694 50 0 CFAARO C[C@@H](c1ccccc1F)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075783 174086217 /nfs/dbraw/zinc/08/62/17/174086217.db2.gz QJCXCPGPGZGWCC-LBPRGKRZSA-N 1 0 278.371 2.735 50 0 CFAARO C[NH+]1CCC(NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000038921857 174159585 /nfs/dbraw/zinc/15/95/85/174159585.db2.gz GIZDZZNQSYTNDR-QPJJXVBHSA-N 1 0 278.783 2.564 50 0 CFAARO Clc1cc(Br)ccc1O[C@H]1CC[NH2+]C1 ZINC000039953914 174177651 /nfs/dbraw/zinc/17/76/51/174177651.db2.gz IAGGOEBOEPUZIO-QMMMGPOBSA-N 1 0 276.561 2.843 50 0 CFAARO CCCCCCOc1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC000040017173 174183132 /nfs/dbraw/zinc/18/31/32/174183132.db2.gz XSFWNPKRDZKUIQ-CYBMUJFWSA-N 1 0 278.396 2.609 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-n2cccc2)cc1 ZINC000040107523 174192292 /nfs/dbraw/zinc/19/22/92/174192292.db2.gz LTOXXGBZTVQOFX-UHFFFAOYSA-N 1 0 297.402 2.693 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1cccs1 ZINC000040465381 174274534 /nfs/dbraw/zinc/27/45/34/174274534.db2.gz YTOLMDGCMLCHAO-OLZOCXBDSA-N 1 0 278.421 2.823 50 0 CFAARO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)NC1CCCC1 ZINC000040479616 174283620 /nfs/dbraw/zinc/28/36/20/174283620.db2.gz WWWJRBJZJKTNFF-QGZVFWFLSA-N 1 0 272.392 2.786 50 0 CFAARO C[C@@H]1CCC[C@](CNCc2ccncc2)([NH+](C)C)C1 ZINC000040668181 174367388 /nfs/dbraw/zinc/36/73/88/174367388.db2.gz RZICBPDAFBPELA-ZBFHGGJFSA-N 1 0 261.413 2.682 50 0 CFAARO CCOc1cc(CNCCC[NH+](C)C)ccc1OC(C)C ZINC000040719582 174385195 /nfs/dbraw/zinc/38/51/95/174385195.db2.gz JNOZARLHZFDSLX-UHFFFAOYSA-N 1 0 294.439 2.914 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+]CCCCO ZINC000040744208 174391455 /nfs/dbraw/zinc/39/14/55/174391455.db2.gz KDUVTWLPNLGROR-UHFFFAOYSA-N 1 0 271.788 2.991 50 0 CFAARO CCCOc1c(C[NH2+]C[C@H](C)O)cc(Cl)cc1OC ZINC000040743888 174391574 /nfs/dbraw/zinc/39/15/74/174391574.db2.gz FDAHLSFNHFVMQB-JTQLQIEISA-N 1 0 287.787 2.608 50 0 CFAARO C[C@H]([NH2+]CCn1cccn1)c1ccc(F)c(F)c1 ZINC000042538912 174784935 /nfs/dbraw/zinc/78/49/35/174784935.db2.gz QSLYOBDYIXGUOX-JTQLQIEISA-N 1 0 251.280 2.512 50 0 CFAARO Cc1cc(Br)cnc1NCCC[NH+](C)C ZINC000042784005 174879389 /nfs/dbraw/zinc/87/93/89/174879389.db2.gz XJPBQDLGXQGWOR-UHFFFAOYSA-N 1 0 272.190 2.516 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000044136293 175145906 /nfs/dbraw/zinc/14/59/06/175145906.db2.gz KTKQDEYFBRXGAI-KGLIPLIRSA-N 1 0 276.380 2.738 50 0 CFAARO [NH3+]CC1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000044512888 175188309 /nfs/dbraw/zinc/18/83/09/175188309.db2.gz NTSSUUDUAHSXOX-UHFFFAOYSA-N 1 0 268.360 2.651 50 0 CFAARO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCOc1ccc(F)cc1 ZINC000045785143 175383685 /nfs/dbraw/zinc/38/36/85/175383685.db2.gz ZEXGNYPGIWZEGZ-OLZOCXBDSA-N 1 0 267.344 2.704 50 0 CFAARO CCc1nn(-c2ccccc2)c(-n2cccc2)c1C[NH3+] ZINC000045795964 175384125 /nfs/dbraw/zinc/38/41/25/175384125.db2.gz KBXBTDIIUZLXTQ-UHFFFAOYSA-N 1 0 266.348 2.684 50 0 CFAARO CCCCC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944757 175387249 /nfs/dbraw/zinc/38/72/49/175387249.db2.gz YKVHUINJOYOBPC-UHFFFAOYSA-N 1 0 258.369 2.762 50 0 CFAARO CCCn1nc(C[NH2+]C2CC2)c(-c2ccccc2)n1 ZINC000045944948 175387283 /nfs/dbraw/zinc/38/72/83/175387283.db2.gz NEBWLHXLUABKLC-UHFFFAOYSA-N 1 0 256.353 2.607 50 0 CFAARO Nc1ncc(C[NH2+]CCc2ccc(Cl)cc2Cl)cn1 ZINC000045944711 175387286 /nfs/dbraw/zinc/38/72/86/175387286.db2.gz MYYSYLDEMXZYCQ-UHFFFAOYSA-N 1 0 297.189 2.698 50 0 CFAARO CCC[C@H](C)[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000045943612 175387425 /nfs/dbraw/zinc/38/74/25/175387425.db2.gz CLDAGOJUBBAKRX-NSHDSACASA-N 1 0 260.341 2.752 50 0 CFAARO CCC[N@H+](C[C@H](O)COCc1ccccc1F)CC1CC1 ZINC000046342108 175395602 /nfs/dbraw/zinc/39/56/02/175395602.db2.gz NBKFGAZKOSYAIQ-INIZCTEOSA-N 1 0 295.398 2.825 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000065497486 175744118 /nfs/dbraw/zinc/74/41/18/175744118.db2.gz JBTPFVAHHFJGBJ-CYBMUJFWSA-N 1 0 288.395 2.561 50 0 CFAARO Clc1ccc(C[NH2+]CCc2nnc3n2CCCCC3)o1 ZINC000067698127 175785371 /nfs/dbraw/zinc/78/53/71/175785371.db2.gz NSNKBRFEODTCJB-UHFFFAOYSA-N 1 0 294.786 2.583 50 0 CFAARO OCCC[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000069771920 175852150 /nfs/dbraw/zinc/85/21/50/175852150.db2.gz JFHBTQVRPSVIPE-UHFFFAOYSA-N 1 0 255.308 2.527 50 0 CFAARO CC(C)=CC[N@@H+]1CCCC[C@H]1Cn1nc(C)nc1C ZINC000069815265 175855552 /nfs/dbraw/zinc/85/55/52/175855552.db2.gz LRKMVSLEFAPMMG-HNNXBMFYSA-N 1 0 262.401 2.716 50 0 CFAARO CSc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000070251885 175884218 /nfs/dbraw/zinc/88/42/18/175884218.db2.gz INWUCMIDAFETEA-ZDUSSCGKSA-N 1 0 276.405 2.737 50 0 CFAARO Cc1cc(-c2cccc3c2CC[NH2+]C3)nc(N2CCCC2)n1 ZINC000071721262 176252735 /nfs/dbraw/zinc/25/27/35/176252735.db2.gz AFGPMPQTBVELQB-UHFFFAOYSA-N 1 0 294.402 2.698 50 0 CFAARO c1ccc(-c2nnc([C@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000071790936 176263050 /nfs/dbraw/zinc/26/30/50/176263050.db2.gz RSGKCFLEXQWOQV-GFCCVEGCSA-N 1 0 255.321 2.594 50 0 CFAARO Oc1cccc(C[NH2+]CCc2ccn(-c3ccccc3)n2)c1 ZINC000071792588 176263647 /nfs/dbraw/zinc/26/36/47/176263647.db2.gz IQXMFBWMQGIMIK-UHFFFAOYSA-N 1 0 293.370 2.910 50 0 CFAARO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cn1 ZINC000071797184 176265158 /nfs/dbraw/zinc/26/51/58/176265158.db2.gz FGDUVWRMGWZXTO-OAHLLOKOSA-N 1 0 259.328 2.896 50 0 CFAARO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccco1 ZINC000071799224 176265463 /nfs/dbraw/zinc/26/54/63/176265463.db2.gz XGBFKRMBNCXNRK-UHFFFAOYSA-N 1 0 268.357 2.673 50 0 CFAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCC1 ZINC000071851403 176276840 /nfs/dbraw/zinc/27/68/40/176276840.db2.gz LYCJUUQVCHTPLG-INIZCTEOSA-N 1 0 272.392 2.740 50 0 CFAARO C[NH+](C)CC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000071853868 176277235 /nfs/dbraw/zinc/27/72/35/176277235.db2.gz YXSNFEGPIIWBOQ-UHFFFAOYSA-N 1 0 285.391 2.582 50 0 CFAARO Cc1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)s1 ZINC000071870420 176283155 /nfs/dbraw/zinc/28/31/55/176283155.db2.gz JLAMTFAVYZQOQM-GJZGRUSLSA-N 1 0 292.448 2.684 50 0 CFAARO Cc1cnn(CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000071876471 176285711 /nfs/dbraw/zinc/28/57/11/176285711.db2.gz DKYUDZXNHJHSRH-GOSISDBHSA-N 1 0 299.418 2.637 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC2(O)CCCCC2)n1 ZINC000071877000 176286171 /nfs/dbraw/zinc/28/61/71/176286171.db2.gz XTVJCVGFMGHEIW-MRXNPFEDSA-N 1 0 291.439 2.660 50 0 CFAARO CCNC(=O)C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000072125316 176320715 /nfs/dbraw/zinc/32/07/15/176320715.db2.gz UWLKVLIUPAHXCB-MRXNPFEDSA-N 1 0 274.408 2.610 50 0 CFAARO c1ccc([C@H]2CCC[N@H+]2Cc2cccc3nonc32)nc1 ZINC000072146609 176325013 /nfs/dbraw/zinc/32/50/13/176325013.db2.gz FLKCLJOKBYWQNW-OAHLLOKOSA-N 1 0 280.331 2.955 50 0 CFAARO CCNC(=O)c1ccc(-c2cccc3c2CC[NH2+]C3)s1 ZINC000072152915 176328023 /nfs/dbraw/zinc/32/80/23/176328023.db2.gz KRUJOMQWWHHEAF-UHFFFAOYSA-N 1 0 286.400 2.811 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@]2(CCCC[NH2+]2)C1 ZINC000072194296 176336903 /nfs/dbraw/zinc/33/69/03/176336903.db2.gz UIUSKKZCVNFIMH-CQSZACIVSA-N 1 0 254.374 2.530 50 0 CFAARO Cc1cc(N(C)C)nc(N2CCC[C@@H]2c2cccnc2)[nH+]1 ZINC000072237810 176346653 /nfs/dbraw/zinc/34/66/53/176346653.db2.gz HGLUDKJSVPJOOJ-CQSZACIVSA-N 1 0 283.379 2.588 50 0 CFAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000072298371 176363820 /nfs/dbraw/zinc/36/38/20/176363820.db2.gz MUDDUHSGXICGLY-CQSZACIVSA-N 1 0 299.374 2.799 50 0 CFAARO Cn1ccc2c1nccc2-c1cccc(C[NH2+]CCCO)c1 ZINC000077341917 177254541 /nfs/dbraw/zinc/25/45/41/177254541.db2.gz QOLXPAAFYNJJDT-UHFFFAOYSA-N 1 0 295.386 2.712 50 0 CFAARO Fc1cc(CC[NH2+]Cc2ccco2)c2c(c1)COCO2 ZINC000078552779 177353253 /nfs/dbraw/zinc/35/32/53/177353253.db2.gz UYINJCMJXOSODW-UHFFFAOYSA-N 1 0 277.295 2.618 50 0 CFAARO C[NH+]1CCC(CCNC(=S)Nc2ccccc2)CC1 ZINC000078578703 177356250 /nfs/dbraw/zinc/35/62/50/177356250.db2.gz IMQQQRYPIPHGGT-UHFFFAOYSA-N 1 0 277.437 2.705 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239359 298994069 /nfs/dbraw/zinc/99/40/69/298994069.db2.gz WMLUMAYVLRHNHA-IACUBPJLSA-N 1 0 290.432 2.604 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2F)C1 ZINC000013669969 260074967 /nfs/dbraw/zinc/07/49/67/260074967.db2.gz OMSHIZWTKGLEFK-ZIAGYGMSSA-N 1 0 292.398 2.924 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000040730315 260179083 /nfs/dbraw/zinc/17/90/83/260179083.db2.gz DHNDJOLYCNCFTQ-ZDUSSCGKSA-N 1 0 271.788 2.988 50 0 CFAARO O=C(C[NH+]1CCCCCC1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000827832270 782047681 /nfs/dbraw/zinc/04/76/81/782047681.db2.gz LNXOKIDTYCIGPE-JKSUJKDBSA-N 1 0 272.392 2.535 50 0 CFAARO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000237373297 274299013 /nfs/dbraw/zinc/29/90/13/274299013.db2.gz SEYNXLNEMBNXNQ-JHJVBQTASA-N 1 0 258.365 2.654 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000044541105 274951296 /nfs/dbraw/zinc/95/12/96/274951296.db2.gz QPNHWRJEDVUHGK-SNVBAGLBSA-N 1 0 287.190 2.947 50 0 CFAARO Nc1c2c([nH+]c3ccn(Cc4ccccc4)c(=O)c13)CCC2 ZINC000000545331 274964253 /nfs/dbraw/zinc/96/42/53/274964253.db2.gz UUUYAYQNQJMOBK-UHFFFAOYSA-N 1 0 291.354 2.516 50 0 CFAARO c1cc2c(ncnc2N2CCC([NH+]3CCCC3)CC2)s1 ZINC000048563926 275064944 /nfs/dbraw/zinc/06/49/44/275064944.db2.gz TWLOHOQCFKSNGZ-UHFFFAOYSA-N 1 0 288.420 2.756 50 0 CFAARO c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CCCc3ccccc31)CN2 ZINC000071888628 275065764 /nfs/dbraw/zinc/06/57/64/275065764.db2.gz BMBDRJIHQBHWCS-BBRMVZONSA-N 1 0 282.391 2.592 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000084241057 275539502 /nfs/dbraw/zinc/53/95/02/275539502.db2.gz VMICHKFPRGJVKJ-LBPRGKRZSA-N 1 0 287.411 2.571 50 0 CFAARO CC1(C)C[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000126727229 276144307 /nfs/dbraw/zinc/14/43/07/276144307.db2.gz NOEXGNGDKIWVJD-CQSZACIVSA-N 1 0 264.413 2.556 50 0 CFAARO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CC=C(C)CC1 ZINC000252480272 276254367 /nfs/dbraw/zinc/25/43/67/276254367.db2.gz BZFYCHGPNIQVOI-KRWDZBQOSA-N 1 0 284.403 2.612 50 0 CFAARO CCn1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(C)n1 ZINC000248048428 276715137 /nfs/dbraw/zinc/71/51/37/276715137.db2.gz VZXTVEILFPANMF-INIZCTEOSA-N 1 0 280.375 2.928 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(Cl)c1Cl ZINC000122562219 277032886 /nfs/dbraw/zinc/03/28/86/277032886.db2.gz NZTWKKWBAUVXMS-SECBINFHSA-N 1 0 287.190 2.817 50 0 CFAARO CC(C)CC[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000095415855 277367197 /nfs/dbraw/zinc/36/71/97/277367197.db2.gz FAJJQVFUSRMVIA-CQSZACIVSA-N 1 0 250.390 2.569 50 0 CFAARO COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3[NH3+])cc1 ZINC000004343458 277398256 /nfs/dbraw/zinc/39/82/56/277398256.db2.gz FBGZOVPHHCRXEK-AWEZNQCLSA-N 1 0 271.364 2.853 50 0 CFAARO CC(C)COc1ccc2c(c1)[C@H](O)CC1(CC[NH2+]CC1)O2 ZINC000036141297 277427413 /nfs/dbraw/zinc/42/74/13/277427413.db2.gz LAKSTJVYNCNFOE-OAHLLOKOSA-N 1 0 291.391 2.660 50 0 CFAARO C[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000241383339 278164796 /nfs/dbraw/zinc/16/47/96/278164796.db2.gz MULSOBNOVMDTHF-GWOFURMSSA-N 1 0 263.303 2.875 50 0 CFAARO C[C@@H](C(N)=O)[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000229358068 278218106 /nfs/dbraw/zinc/21/81/06/278218106.db2.gz MRDZRNNDCOVKEW-SUMWQHHRSA-N 1 0 280.371 2.508 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccc(F)c1Cl ZINC000156482487 278312695 /nfs/dbraw/zinc/31/26/95/278312695.db2.gz FFNZZTWKSUYEQS-SKDRFNHKSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000063193123 278316635 /nfs/dbraw/zinc/31/66/35/278316635.db2.gz RZXNERDXYNSNPE-NOZJJQNGSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCC3)C[C@H]1[NH+](C)C ZINC000078895232 278682953 /nfs/dbraw/zinc/68/29/53/278682953.db2.gz CWRHSYNRSSIMFT-DGCLKSJQSA-N 1 0 292.448 2.649 50 0 CFAARO CCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC1(C)C ZINC000346324697 279187791 /nfs/dbraw/zinc/18/77/91/279187791.db2.gz AQGAEUPVWKBRQY-CQSZACIVSA-N 1 0 266.429 2.757 50 0 CFAARO C[C@H](C1CCN(c2ccc(F)cn2)CC1)[NH+]1CCCC1 ZINC000095391817 279243512 /nfs/dbraw/zinc/24/35/12/279243512.db2.gz UDSDFVUDZCKJIZ-CYBMUJFWSA-N 1 0 277.387 2.921 50 0 CFAARO [NH3+]C[C@@H](c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000019261725 279634155 /nfs/dbraw/zinc/63/41/55/279634155.db2.gz PPLXHGHETKESBB-LBPRGKRZSA-N 1 0 258.287 2.801 50 0 CFAARO Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058216833 280273158 /nfs/dbraw/zinc/27/31/58/280273158.db2.gz CMZFWYYMPLSVNI-LBPRGKRZSA-N 1 0 284.359 2.708 50 0 CFAARO Cc1ccc2nc(C)c(C(=O)N3CCCC[C@H]3C[NH3+])cc2c1 ZINC000237898104 281152540 /nfs/dbraw/zinc/15/25/40/281152540.db2.gz VKLBFGVAGMNWSS-HNNXBMFYSA-N 1 0 297.402 2.805 50 0 CFAARO CC[C@]1(C)CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000095971132 281311271 /nfs/dbraw/zinc/31/12/71/281311271.db2.gz FRGQWLQEOWLDMD-MRXNPFEDSA-N 1 0 260.381 2.798 50 0 CFAARO Cc1ccccc1C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000069744601 281338515 /nfs/dbraw/zinc/33/85/15/281338515.db2.gz PIWLMYGZNRYCMF-UHFFFAOYSA-N 1 0 288.391 2.627 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)c1ccncc1)CCC2 ZINC000095402200 281551075 /nfs/dbraw/zinc/55/10/75/281551075.db2.gz KEAKJMULJFTVFV-ZFWWWQNUSA-N 1 0 270.380 2.815 50 0 CFAARO Cc1nc(C)c(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])s1 ZINC000262942766 281878111 /nfs/dbraw/zinc/87/81/11/281878111.db2.gz IXPQDGYQYBTWBA-GXFFZTMASA-N 1 0 267.398 2.606 50 0 CFAARO C[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000241383338 289435848 /nfs/dbraw/zinc/43/58/48/289435848.db2.gz MULSOBNOVMDTHF-DBIOUOCHSA-N 1 0 263.303 2.875 50 0 CFAARO CCc1ccc2occ(C(=O)N3CC(C[NH+](C)C)C3)c2c1 ZINC000564830051 290237945 /nfs/dbraw/zinc/23/79/45/290237945.db2.gz NRQWSNVAHJNQRW-UHFFFAOYSA-N 1 0 286.375 2.629 50 0 CFAARO Fc1ccccc1[C@@H]1[NH2+]CCc2cc3c(cc21)OCCO3 ZINC000019626168 294771063 /nfs/dbraw/zinc/77/10/63/294771063.db2.gz FEURQXBOKPILAB-KRWDZBQOSA-N 1 0 285.318 2.832 50 0 CFAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cncs1 ZINC000828206290 782080923 /nfs/dbraw/zinc/08/09/23/782080923.db2.gz FGZRDUNVUIJLMC-UHFFFAOYSA-N 1 0 287.388 2.991 50 0 CFAARO Cc1csc(CC[NH2+][C@@H](C)CCn2ccnc2C)n1 ZINC000534582500 328312426 /nfs/dbraw/zinc/31/24/26/328312426.db2.gz ZYLIWHMVMIDDHF-NSHDSACASA-N 1 0 278.425 2.567 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)c2ccc(O)cc2C)CCCC1 ZINC000534636966 328334019 /nfs/dbraw/zinc/33/40/19/328334019.db2.gz VNDYOYQAKYKRSR-UHFFFAOYSA-N 1 0 290.407 2.695 50 0 CFAARO CC(C)[C@H](CNC(=O)c1cc(F)cc(Cl)c1)[NH+](C)C ZINC000534650027 328336542 /nfs/dbraw/zinc/33/65/42/328336542.db2.gz MQXRIUBSRVQEIS-ZDUSSCGKSA-N 1 0 286.778 2.795 50 0 CFAARO [NH3+]C[C@H]1CCN(Cc2cccc(F)c2C(F)(F)F)C1 ZINC000534647881 328343074 /nfs/dbraw/zinc/34/30/74/328343074.db2.gz UAINQDKDOGXPON-SECBINFHSA-N 1 0 276.277 2.625 50 0 CFAARO Cc1nccn1C[C@@H](C)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534649359 328343914 /nfs/dbraw/zinc/34/39/14/328343914.db2.gz RJAMMQRSNLHWPD-OAHLLOKOSA-N 1 0 292.471 2.824 50 0 CFAARO Cc1ccccc1CC1([NH2+][C@H](C)Cn2cccn2)CC1 ZINC000534669418 328346741 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519319281 /nfs/dbraw/zinc/31/92/81/519319281.db2.gz KAVJYLYAXPRMAL-DLBZAZTESA-N 1 0 256.393 2.998 50 0 CFAARO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335190468 520559073 /nfs/dbraw/zinc/55/90/73/520559073.db2.gz DSCQDBSJQINNRY-SNVBAGLBSA-N 1 0 257.761 2.916 50 0 CFAARO CCOc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C ZINC000156296222 520658901 /nfs/dbraw/zinc/65/89/01/520658901.db2.gz JQPHWTCZMUVGNE-DZGCQCFKSA-N 1 0 290.407 2.593 50 0 CFAARO CCCC[C@@H]([NH3+])C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000059931601 521068498 /nfs/dbraw/zinc/06/84/98/521068498.db2.gz FULRPIPCGBVUBY-GFCCVEGCSA-N 1 0 288.313 2.839 50 0 CFAARO CCOC1CC2(C1)CC[N@H+](Cc1cncs1)C2 ZINC000367699715 521654133 /nfs/dbraw/zinc/65/41/33/521654133.db2.gz IUDVDEFIVSYEJB-UHFFFAOYSA-N 1 0 252.383 2.534 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCCC[C@H]1O)CCC2 ZINC000247125694 522480079 /nfs/dbraw/zinc/48/00/79/522480079.db2.gz AOHLEATVMUNFOS-DMDPSCGWSA-N 1 0 280.437 2.976 50 0 CFAARO Cc1cccc(C)c1NC(=O)NCCC[NH+]1CCCC1 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CC(C)CC[NH+]1CCC(CNC(=O)C2CC=CC2)CC1 ZINC000096456519 527721829 /nfs/dbraw/zinc/72/18/29/527721829.db2.gz LLHLLHXDTOHTHH-UHFFFAOYSA-N 1 0 278.440 2.827 50 0 CFAARO CC[N@H+](C)C[C@@](C)(O)c1ccccc1C(F)(F)F ZINC000096441398 527824140 /nfs/dbraw/zinc/82/41/40/527824140.db2.gz JTQXFMJXLNTDMN-GFCCVEGCSA-N 1 0 261.287 2.865 50 0 CFAARO CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCOC1 ZINC000096484939 528474081 /nfs/dbraw/zinc/47/40/81/528474081.db2.gz BCSPFGLAYXTDIX-CYBMUJFWSA-N 1 0 269.772 2.660 50 0 CFAARO CC(C)n1cncc1C[N@H+](C)[C@@H]1CCOC(C)(C)C1 ZINC000097743481 528619354 /nfs/dbraw/zinc/61/93/54/528619354.db2.gz AZCZNLFGLIURJT-CYBMUJFWSA-N 1 0 265.401 2.853 50 0 CFAARO CCS[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000096451433 529215711 /nfs/dbraw/zinc/21/57/11/529215711.db2.gz RZVCHSSRZLYOAZ-QWHCGFSZSA-N 1 0 272.458 2.507 50 0 CFAARO C[NH+]1CCN(c2ccc(NC(=O)C3CCCC3)cc2)CC1 ZINC000005089657 536422657 /nfs/dbraw/zinc/42/26/57/536422657.db2.gz SVCKGDOZEAXZLH-UHFFFAOYSA-N 1 0 287.407 2.567 50 0 CFAARO C[C@H]([NH2+]C[C@H](O)c1ccncc1)c1cc(F)cc(F)c1 ZINC000090712813 566953768 /nfs/dbraw/zinc/95/37/68/566953768.db2.gz CULNHIRAKGELHW-BONVTDFDSA-N 1 0 278.302 2.744 50 0 CFAARO CC(C)(C)c1cc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)[nH]n1 ZINC000952965463 614047974 /nfs/dbraw/zinc/04/79/74/614047974.db2.gz QQOPZMHWUKNVIX-UHFFFAOYSA-N 1 0 299.378 2.579 50 0 CFAARO CC(=O)c1cc(CN(C)CC[N@H+](C)C2CCCC2)n(C)c1 ZINC000952966382 614248270 /nfs/dbraw/zinc/24/82/70/614248270.db2.gz SWVWIKDSKDJSII-UHFFFAOYSA-N 1 0 291.439 2.534 50 0 CFAARO CCCCc1ncc(C[NH2+]CCCn2nc(C)cc2C)[nH]1 ZINC000952972544 614491108 /nfs/dbraw/zinc/49/11/08/614491108.db2.gz VXMMCCQPIFOPOO-UHFFFAOYSA-N 1 0 289.427 2.746 50 0 CFAARO CCn1nnc(C)c1C[N@@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000952992734 615743129 /nfs/dbraw/zinc/74/31/29/615743129.db2.gz CABZJIHUNCCMPS-OAHLLOKOSA-N 1 0 299.422 2.771 50 0 CFAARO C[NH2+]Cc1nc(-c2cccc3c2ccn3C)nn1C(C)(C)C ZINC000952982987 617004668 /nfs/dbraw/zinc/00/46/68/617004668.db2.gz QUASWXXEPQXDLJ-UHFFFAOYSA-N 1 0 297.406 2.911 50 0 CFAARO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@@H]2CO)o1 ZINC000022077696 617962305 /nfs/dbraw/zinc/96/23/05/617962305.db2.gz QFFWDZSLUXPINE-TZMCWYRMSA-N 1 0 251.370 2.928 50 0 CFAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078319 617962533 /nfs/dbraw/zinc/96/25/33/617962533.db2.gz CCKDFFOOFQYJFW-XHDPSFHLSA-N 1 0 266.335 2.633 50 0 CFAARO CC(C)c1ccccc1OCCCC[NH2+]CCO ZINC000002899467 618084466 /nfs/dbraw/zinc/08/44/66/618084466.db2.gz QHSUKZZVGXQAPW-UHFFFAOYSA-N 1 0 251.370 2.551 50 0 CFAARO CC(C)CCN1CC[N@@H+](C2CCCCC2)C[C@H]1CCO ZINC000257371915 618253438 /nfs/dbraw/zinc/25/34/38/618253438.db2.gz HVZIPUYGFMSRMU-QGZVFWFLSA-N 1 0 282.472 2.734 50 0 CFAARO CCc1noc([C@H](C)N[C@H](C)Cc2ccc(C)cn2)n1 ZINC000020209030 618801276 /nfs/dbraw/zinc/80/12/76/618801276.db2.gz QKDKHIIQWPMDNY-NEPJUHHUSA-N 1 0 274.368 2.617 50 0 CFAARO CCC[C@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[NH+](C)C ZINC000184660014 618917667 /nfs/dbraw/zinc/91/76/67/618917667.db2.gz VDPCPCASZBZTGI-MRXNPFEDSA-N 1 0 286.419 2.791 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CC[C@H](c2nccn2C)C1 ZINC000888099151 619132811 /nfs/dbraw/zinc/13/28/11/619132811.db2.gz WOOOKXWIHIFNHG-RYUDHWBXSA-N 1 0 276.409 2.611 50 0 CFAARO NC1(c2noc(-c3cc(Br)cs3)n2)CC1 ZINC000905319041 621740847 /nfs/dbraw/zinc/74/08/47/621740847.db2.gz MQHYQHJKIDEYPZ-UHFFFAOYSA-N 1 0 286.154 2.508 50 0 CFAARO CCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000874433699 624452685 /nfs/dbraw/zinc/45/26/85/624452685.db2.gz OUKZDAVDCBOARC-CYBMUJFWSA-N 1 0 295.452 2.540 50 0 CFAARO C[C@H]1COC[C@H](C)C1[NH2+]CCCNc1ccccc1 ZINC000863984689 637832755 /nfs/dbraw/zinc/83/27/55/637832755.db2.gz YWIIPGKRHGVCRC-KBPBESRZSA-N 1 0 262.397 2.749 50 0 CFAARO C[C@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090965 637871742 /nfs/dbraw/zinc/87/17/42/637871742.db2.gz HMXSKMMREFBLMP-GXTWGEPZSA-N 1 0 275.396 2.821 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872042635 641577691 /nfs/dbraw/zinc/57/76/91/641577691.db2.gz QPPQCUYDGINZAO-USXIJHARSA-N 1 0 287.403 2.726 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[N@H+](C)CCc2scnc2C)n1 ZINC000952983848 650791515 /nfs/dbraw/zinc/79/15/15/650791515.db2.gz YDHFWALSZPWODC-CYBMUJFWSA-N 1 0 292.452 2.828 50 0 CFAARO COC1(OC)CC2(C[N@H+](Cc3cc(C)no3)[C@@H]2C(C)C)C1 ZINC000877871605 643613034 /nfs/dbraw/zinc/61/30/34/643613034.db2.gz STJWNJCWBPLSBK-CQSZACIVSA-N 1 0 294.395 2.593 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1 ZINC000027207780 645720743 /nfs/dbraw/zinc/72/07/43/645720743.db2.gz PGWROFPUKKZPKE-KRWDZBQOSA-N 1 0 299.370 2.639 50 0 CFAARO CC(=O)N1CCC([N@H+]2CCO[C@H](CCCC(C)C)C2)CC1 ZINC000015072183 651184717 /nfs/dbraw/zinc/18/47/17/651184717.db2.gz ZMNIYEYTHZESNI-QGZVFWFLSA-N 1 0 296.455 2.524 50 0 CFAARO Cc1cc(C[N@@H+]2CCCOCC2)c2ccc(F)cc2n1 ZINC000019145991 651287991 /nfs/dbraw/zinc/28/79/91/651287991.db2.gz FVOUCEGPXPWTQJ-UHFFFAOYSA-N 1 0 274.339 2.905 50 0 CFAARO O=C(c1ccc2occc2c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000020109911 651296716 /nfs/dbraw/zinc/29/67/16/651296716.db2.gz VIZYVSNOYLJQDE-OAHLLOKOSA-N 1 0 284.359 2.743 50 0 CFAARO CC(C)=CCC[C@H](C)[NH2+]CCc1nc(C)cc(=O)[nH]1 ZINC000821090691 781877357 /nfs/dbraw/zinc/87/73/57/781877357.db2.gz AQNDGYJNWWUYAR-LBPRGKRZSA-N 1 0 263.385 2.758 50 0 CFAARO Cc1cc(N2CCC[N@@H+](C)CC2)nc2cc(F)ccc12 ZINC000023634339 775531306 /nfs/dbraw/zinc/53/13/06/775531306.db2.gz RXCWOQNWRGYFPS-UHFFFAOYSA-N 1 0 273.355 2.824 50 0 CFAARO COc1cccc2c(C)cc(NCCC[NH+](C)C)nc12 ZINC000023634143 775531424 /nfs/dbraw/zinc/53/14/24/775531424.db2.gz LDCNRIKGGNKOBH-UHFFFAOYSA-N 1 0 273.380 2.915 50 0 CFAARO C[NH+](C)CCCc1nc(-c2ccccc2Cl)no1 ZINC000032513819 780028945 /nfs/dbraw/zinc/02/89/45/780028945.db2.gz ONAQNVRMARGSPA-UHFFFAOYSA-N 1 0 265.744 2.884 50 0 CFAARO C([NH2+][C@H]1CCCOC1)C1(N2CCCCC2)CCCC1 ZINC000820408721 781867064 /nfs/dbraw/zinc/86/70/64/781867064.db2.gz JMQQDOXEYUBWBX-HNNXBMFYSA-N 1 0 266.429 2.554 50 0 CFAARO CC[C@H](C(=O)NC(C)(C)c1ccc(OC)cc1)[N@H+](C)CC ZINC000822549786 781903774 /nfs/dbraw/zinc/90/37/74/781903774.db2.gz IATZBYLRBFGJTH-OAHLLOKOSA-N 1 0 292.423 2.777 50 0 CFAARO Cc1ccccc1O[C@@H](C)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000096437230 230372182 /nfs/dbraw/zinc/37/21/82/230372182.db2.gz NUZMJZXGLIIAKT-WMLDXEAASA-N 1 0 298.386 2.579 50 0 CFAARO CC(C)n1ccc2c1cccc2C(=O)NCC[NH+](C)C ZINC000095480624 184997421 /nfs/dbraw/zinc/99/74/21/184997421.db2.gz SLSMFDHBVPLOOF-UHFFFAOYSA-N 1 0 273.380 2.514 50 0 CFAARO Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)cc1 ZINC000096461413 230378053 /nfs/dbraw/zinc/37/80/53/230378053.db2.gz NBGSENPRNXTQJD-ZDUSSCGKSA-N 1 0 295.390 2.765 50 0 CFAARO Cc1ccc(F)c(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000096482568 230380596 /nfs/dbraw/zinc/38/05/96/230380596.db2.gz VRFHAYIYWAUGEF-CQSZACIVSA-N 1 0 266.360 2.580 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc(-n2cncn2)c1 ZINC000096492329 230382975 /nfs/dbraw/zinc/38/29/75/230382975.db2.gz AGBQCZPQOMDOTA-NSHDSACASA-N 1 0 297.362 2.723 50 0 CFAARO CSc1cccc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000097819699 230387864 /nfs/dbraw/zinc/38/78/64/230387864.db2.gz TZFAGRNAWRJVTP-OAHLLOKOSA-N 1 0 292.448 2.851 50 0 CFAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)c1cccc(F)c1 ZINC000408519154 230404173 /nfs/dbraw/zinc/40/41/73/230404173.db2.gz ICYMEUNLTNCLOL-LALPHHSUSA-N 1 0 278.371 2.658 50 0 CFAARO NC(=[NH2+])NCCCOc1ccccc1C1CCCCC1 ZINC000095918038 185030425 /nfs/dbraw/zinc/03/04/25/185030425.db2.gz DAGXSIFWRUSUJW-UHFFFAOYSA-N 1 0 275.396 2.986 50 0 CFAARO CC1(CC[NH2+][C@H]2CCCOc3ccccc32)OCCO1 ZINC000095940603 185036321 /nfs/dbraw/zinc/03/63/21/185036321.db2.gz ODTSPHQIVHGBBG-AWEZNQCLSA-N 1 0 277.364 2.643 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@]2(C)CCCc3ccccc32)on1 ZINC000095953329 185040526 /nfs/dbraw/zinc/04/05/26/185040526.db2.gz BTYXZBAFGKBSDY-QGZVFWFLSA-N 1 0 299.374 2.763 50 0 CFAARO CCc1ccc([C@@H](C)[NH2+]CCOc2cccnc2)o1 ZINC000095968031 185046534 /nfs/dbraw/zinc/04/65/34/185046534.db2.gz RSRWHNBXFYSZLK-GFCCVEGCSA-N 1 0 260.337 2.967 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]C[C@H](c1cnn(C)c1)N(C)C ZINC000095968149 185046544 /nfs/dbraw/zinc/04/65/44/185046544.db2.gz HPAFJQJXOREERU-GXTWGEPZSA-N 1 0 292.452 2.744 50 0 CFAARO COC[C@@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)C1CC1 ZINC000095968132 185046786 /nfs/dbraw/zinc/04/67/86/185046786.db2.gz JUWFUXUNAAGAKF-MRXNPFEDSA-N 1 0 276.355 2.864 50 0 CFAARO CC[C@H]([NH2+]C[C@@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000095968403 185047048 /nfs/dbraw/zinc/04/70/48/185047048.db2.gz OUGSISYMGVTNKZ-JKSUJKDBSA-N 1 0 291.370 2.508 50 0 CFAARO COc1cccc(F)c1[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C ZINC000095968711 185047877 /nfs/dbraw/zinc/04/78/77/185047877.db2.gz FACNGVOCKUTRIY-LLVKDONJSA-N 1 0 296.386 2.647 50 0 CFAARO COc1ccc(CCCC[NH2+]C2CCN(C)CC2)cc1 ZINC000095969137 185048129 /nfs/dbraw/zinc/04/81/29/185048129.db2.gz GANYMKZGYVWCQB-UHFFFAOYSA-N 1 0 276.424 2.702 50 0 CFAARO O[C@H](C[NH2+]Cc1cc(Cl)ccc1F)c1cccnc1 ZINC000095973549 185049498 /nfs/dbraw/zinc/04/94/98/185049498.db2.gz ZJBAOZBPIUDBQG-CQSZACIVSA-N 1 0 280.730 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CUKQVXYWLGOMAF-UHFFFAOYSA-N 1 0 291.391 2.653 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c1 ZINC000008553097 346224601 /nfs/dbraw/zinc/22/46/01/346224601.db2.gz LKOGBRXABVWQOD-OWCLPIDISA-N 1 0 261.365 2.651 50 0 CFAARO C[C@]1(O)C[N@H+](Cc2ccccc2)[C@@H](c2ccccc2)C[C@@H]1O ZINC000019879460 346243075 /nfs/dbraw/zinc/24/30/75/346243075.db2.gz VAKBKORICCUVPK-QYZOEREBSA-N 1 0 297.398 2.746 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)c1 ZINC000022018077 346247376 /nfs/dbraw/zinc/24/73/76/346247376.db2.gz LKOGBRXABVWQOD-HRCADAONSA-N 1 0 261.365 2.651 50 0 CFAARO C[C@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078407 346248120 /nfs/dbraw/zinc/24/81/20/346248120.db2.gz HJBQVDKHMZTIHJ-XHDPSFHLSA-N 1 0 266.335 2.633 50 0 CFAARO c1csc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000039348994 346343670 /nfs/dbraw/zinc/34/36/70/346343670.db2.gz HKCIJFJXKPDDOG-GASCZTMLSA-N 1 0 285.416 2.711 50 0 CFAARO Cn1ccc(C[N@H+](C)[C@H]2CCc3ccccc32)cc1=O ZINC000051650303 346506447 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347156980 /nfs/dbraw/zinc/15/69/80/347156980.db2.gz XRSJIALGCZFUBO-UHFFFAOYSA-N 1 0 254.333 2.519 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000079020804 347285340 /nfs/dbraw/zinc/28/53/40/347285340.db2.gz FRYFPIYYAUVTTP-CHWSQXEVSA-N 1 0 253.415 2.574 50 0 CFAARO c1nnc(C2CC[NH+](CCCc3ccccc3)CC2)[nH]1 ZINC000083424498 347451244 /nfs/dbraw/zinc/45/12/44/347451244.db2.gz ICVWRQOJJGKNPH-UHFFFAOYSA-N 1 0 270.380 2.617 50 0 CFAARO CC(C)(C)c1cn2c(n1)[C@@H](C[NH2+]Cc1ncc[nH]1)CCC2 ZINC000089725139 347526939 /nfs/dbraw/zinc/52/69/39/347526939.db2.gz ANLICJJEOHRKSM-GFCCVEGCSA-N 1 0 287.411 2.571 50 0 CFAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H]2C1 ZINC000095466080 347698092 /nfs/dbraw/zinc/69/80/92/347698092.db2.gz VNHJRPIXLNHDGH-BXUZGUMPSA-N 1 0 293.798 2.898 50 0 CFAARO Cc1cc([C@@H]2C[N@H+](C[C@@H]3CCOC3)CCO2)ccc1F ZINC000095978963 347699762 /nfs/dbraw/zinc/69/97/62/347699762.db2.gz WJUZHVWHEBGVAF-BBRMVZONSA-N 1 0 279.355 2.544 50 0 CFAARO CCOC(=O)[C@@]1([NH+]2CCCCC2)CCCC[C@@H]1C ZINC000096026489 347700654 /nfs/dbraw/zinc/70/06/54/347700654.db2.gz NWZRDHYUYXTYJP-DZGCQCFKSA-N 1 0 253.386 2.984 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C1CCN(Cc2cccc(C)c2)CC1 ZINC000097159406 347707048 /nfs/dbraw/zinc/70/70/48/347707048.db2.gz WICSRGSDVYITKC-UHFFFAOYSA-N 1 0 298.434 2.781 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(CO)c2)C1(C)C ZINC000097231007 347707770 /nfs/dbraw/zinc/70/77/70/347707770.db2.gz AHNPMQOLVBUVLY-GJZGRUSLSA-N 1 0 281.371 2.611 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(-n2ccnn2)cc1 ZINC000097370937 347708450 /nfs/dbraw/zinc/70/84/50/347708450.db2.gz ISFSMCCWUUFHNZ-GXTWGEPZSA-N 1 0 288.420 2.814 50 0 CFAARO OC[C@H]([NH2+][C@@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000097370882 347708717 /nfs/dbraw/zinc/70/87/17/347708717.db2.gz NUDRFJSQIBPVKI-SKDRFNHKSA-N 1 0 291.338 2.623 50 0 CFAARO CC(C)(C[NH3+])c1ccc(I)cc1 ZINC000112939607 347765717 /nfs/dbraw/zinc/76/57/17/347765717.db2.gz PQSDHRVVNHJLEJ-UHFFFAOYSA-N 1 0 275.133 2.528 50 0 CFAARO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000106922649 347733360 /nfs/dbraw/zinc/73/33/60/347733360.db2.gz JWQWHEMSPVGTCR-DDKJEQMHSA-N 1 0 289.375 2.951 50 0 CFAARO C[C@@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1cccs1 ZINC000127258351 347840256 /nfs/dbraw/zinc/84/02/56/347840256.db2.gz BREWKXKEGKLCQM-SWLSCSKDSA-N 1 0 292.448 2.842 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000158743775 348008781 /nfs/dbraw/zinc/00/87/81/348008781.db2.gz MVBMFASRWLHWOD-LYRGGWFBSA-N 1 0 273.401 2.927 50 0 CFAARO C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000159272102 348011605 /nfs/dbraw/zinc/01/16/05/348011605.db2.gz NOMGQUVCSAJTAJ-JKSUJKDBSA-N 1 0 298.434 2.875 50 0 CFAARO c1cc2c(o1)CCC[C@H]2[NH2+]CCOc1cccnc1 ZINC000170088896 348053353 /nfs/dbraw/zinc/05/33/53/348053353.db2.gz DYPPTAZHRIENKY-CQSZACIVSA-N 1 0 258.321 2.721 50 0 CFAARO Cc1cccc(OC2CC[NH+]([C@@H]3CCOC[C@H]3C)CC2)n1 ZINC000170619064 348057736 /nfs/dbraw/zinc/05/77/36/348057736.db2.gz BYANPKNDSXQLAG-CZUORRHYSA-N 1 0 290.407 2.658 50 0 CFAARO COC[C@H]([NH2+]CCC1(C)OCCO1)c1ccc(Cl)cc1 ZINC000194176248 348143419 /nfs/dbraw/zinc/14/34/19/348143419.db2.gz VXNNTWZMQWOYOQ-AWEZNQCLSA-N 1 0 299.798 2.770 50 0 CFAARO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCc3ccc(F)cc32)C1 ZINC000195558603 348146105 /nfs/dbraw/zinc/14/61/05/348146105.db2.gz WRYDNVSOGLOMRL-SGIREYDYSA-N 1 0 261.340 2.730 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CCOCC2)[C@@H](C)C1 ZINC000195560659 348146230 /nfs/dbraw/zinc/14/62/30/348146230.db2.gz TZXCUUSMWXWNFY-QLFBSQMISA-N 1 0 268.445 2.512 50 0 CFAARO Cc1cnc(C)c(N2CCC([NH2+]C3CCCC3)CC2)n1 ZINC000195563819 348146840 /nfs/dbraw/zinc/14/68/40/348146840.db2.gz CVFHIAZREUWOKQ-UHFFFAOYSA-N 1 0 274.412 2.594 50 0 CFAARO C[C@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)[C@@H]1CCCO1 ZINC000195561317 348146939 /nfs/dbraw/zinc/14/69/39/348146939.db2.gz XEEVDPXQXAJULD-WCFLWFBJSA-N 1 0 282.409 2.652 50 0 CFAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2C[C@@H](O)c2ccccc2)c1 ZINC000229487472 348202006 /nfs/dbraw/zinc/20/20/06/348202006.db2.gz GSGHZOICZLKUNR-QZTJIDSGSA-N 1 0 299.418 2.780 50 0 CFAARO C[NH2+]CC(=O)Nc1cccc(CSC(C)(C)C)c1 ZINC000252480100 348296276 /nfs/dbraw/zinc/29/62/76/348296276.db2.gz BVJDPVZVHZYSJF-UHFFFAOYSA-N 1 0 266.410 2.876 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccn2)[C@@H](C)C1 ZINC000253369579 348300916 /nfs/dbraw/zinc/30/09/16/348300916.db2.gz FELXRADSYQCAJC-DLTWYDFYSA-N 1 0 276.424 2.647 50 0 CFAARO C[C@H](C(=O)NCC1(C(F)(F)F)CC[NH2+]CC1)C(C)(C)C ZINC000725264727 539621545 /nfs/dbraw/zinc/62/15/45/539621545.db2.gz OIALTCFTTZHIEN-SNVBAGLBSA-N 1 0 294.361 2.717 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)c2cccs2)C1 ZINC000409421090 348600645 /nfs/dbraw/zinc/60/06/45/348600645.db2.gz GMEYBHVHJMQRDS-LBPRGKRZSA-N 1 0 275.377 2.649 50 0 CFAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000584886852 348727104 /nfs/dbraw/zinc/72/71/04/348727104.db2.gz AYLQVRGRSJCGFN-CYBMUJFWSA-N 1 0 297.406 2.580 50 0 CFAARO c1ccc([C@H](C[NH2+]C2CCOCC2)N2CCCCC2)cc1 ZINC000584891589 348728841 /nfs/dbraw/zinc/72/88/41/348728841.db2.gz PVQSNACZAKJETN-SFHVURJKSA-N 1 0 288.435 2.982 50 0 CFAARO COc1ccc2[nH]c(C[NH2+][C@H]3CCCSC3)nc2c1 ZINC000584892040 348728969 /nfs/dbraw/zinc/72/89/69/348728969.db2.gz WUKLBEZRBBXRQY-JTQLQIEISA-N 1 0 277.393 2.557 50 0 CFAARO Clc1ccc2[nH]c(CCC[NH2+][C@@H]3CCOC3)nc2c1 ZINC000584900024 348731764 /nfs/dbraw/zinc/73/17/64/348731764.db2.gz TZQAJULVJLHGPA-LLVKDONJSA-N 1 0 279.771 2.527 50 0 CFAARO CCCc1cc(C[NH2+]C2CSCCSC2)on1 ZINC000584899151 348731928 /nfs/dbraw/zinc/73/19/28/348731928.db2.gz YVQCRSMANYNAAS-UHFFFAOYSA-N 1 0 272.439 2.565 50 0 CFAARO Cn1c2ccccc2nc1C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000584898826 348732178 /nfs/dbraw/zinc/73/21/78/348732178.db2.gz DOQUHBLSBRGOHX-OAHLLOKOSA-N 1 0 299.418 2.932 50 0 CFAARO CCc1nccn1C[C@@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584903627 348733764 /nfs/dbraw/zinc/73/37/64/348733764.db2.gz CXFKNJMXXFHARD-CYBMUJFWSA-N 1 0 272.396 2.636 50 0 CFAARO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000089729433 179856028 /nfs/dbraw/zinc/85/60/28/179856028.db2.gz URYGJABSRQZHQT-GDBMZVCRSA-N 1 0 274.408 2.525 50 0 CFAARO CC(C)N1CC[C@@H]([NH2+][C@H](C)CSC(C)(C)C)C1=O ZINC000089728479 179855711 /nfs/dbraw/zinc/85/57/11/179855711.db2.gz OEEBVTCXUFMGFR-VXGBXAGGSA-N 1 0 272.458 2.506 50 0 CFAARO C[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1ccco1 ZINC000090655912 180018479 /nfs/dbraw/zinc/01/84/79/180018479.db2.gz UGZQGNATNXPSAO-KCQAQPDRSA-N 1 0 259.349 2.922 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC000091303643 180130928 /nfs/dbraw/zinc/13/09/28/180130928.db2.gz BIJMEPSIGYURDY-CYBMUJFWSA-N 1 0 268.401 2.776 50 0 CFAARO Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000091350969 180137875 /nfs/dbraw/zinc/13/78/75/180137875.db2.gz QZLAWVKWJWULDP-CQSZACIVSA-N 1 0 299.418 2.504 50 0 CFAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000091366859 180143069 /nfs/dbraw/zinc/14/30/69/180143069.db2.gz KYNYMFUVAJHYMY-BXUZGUMPSA-N 1 0 285.840 2.729 50 0 CFAARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091378162 180144272 /nfs/dbraw/zinc/14/42/72/180144272.db2.gz GPORYBCAQMYEFS-CVEARBPZSA-N 1 0 287.407 2.531 50 0 CFAARO COc1ccc(F)cc1C[N@@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091585539 180199443 /nfs/dbraw/zinc/19/94/43/180199443.db2.gz IYSVLMGATOBNOU-INIZCTEOSA-N 1 0 281.371 2.817 50 0 CFAARO Fc1cnccc1N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091585564 180199677 /nfs/dbraw/zinc/19/96/77/180199677.db2.gz PVUMVUAFIGTUQF-ZIAGYGMSSA-N 1 0 275.371 2.531 50 0 CFAARO COCC[C@]1(CO)CCC[N@H+](CCCc2ccccc2)C1 ZINC000091625019 180209815 /nfs/dbraw/zinc/20/98/15/180209815.db2.gz YIXCLBXWAJBQMV-GOSISDBHSA-N 1 0 291.435 2.730 50 0 CFAARO C[NH+](C)Cc1ccc(-c2ncnn2-c2ccc(F)cc2)o1 ZINC000091663558 180220746 /nfs/dbraw/zinc/22/07/46/180220746.db2.gz VQIKSWLWFAMVHS-UHFFFAOYSA-N 1 0 286.310 2.728 50 0 CFAARO Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1C ZINC000091895804 180282519 /nfs/dbraw/zinc/28/25/19/180282519.db2.gz WRDRPEHLIORWGN-UHFFFAOYSA-N 1 0 275.392 2.685 50 0 CFAARO Cc1cc(NC2(c3ccccc3C)CC2)nc(N)[nH+]1 ZINC000091894843 180282566 /nfs/dbraw/zinc/28/25/66/180282566.db2.gz IYHWQZCSBIRRFS-UHFFFAOYSA-N 1 0 254.337 2.777 50 0 CFAARO C[NH+]1CCC(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000335487495 282684157 /nfs/dbraw/zinc/68/41/57/282684157.db2.gz MCUUZHBFHYPNET-NSHDSACASA-N 1 0 292.345 2.519 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000105681207 186067757 /nfs/dbraw/zinc/06/77/57/186067757.db2.gz OXIGSUOESNIEFY-QWHCGFSZSA-N 1 0 278.400 2.523 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)cc1 ZINC000092106902 180326348 /nfs/dbraw/zinc/32/63/48/180326348.db2.gz YNBZCLZSPMTPRF-ROHVMALMSA-N 1 0 275.392 2.801 50 0 CFAARO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000106164680 186104009 /nfs/dbraw/zinc/10/40/09/186104009.db2.gz JWRYWZCCLVWTRM-DLBZAZTESA-N 1 0 280.371 2.703 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000106669760 186131307 /nfs/dbraw/zinc/13/13/07/186131307.db2.gz MVQPFYDZQQBHMD-FZMZJTMJSA-N 1 0 290.363 2.978 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000107058452 186157603 /nfs/dbraw/zinc/15/76/03/186157603.db2.gz QSVIODOJYUXPLV-FMKPAKJESA-N 1 0 274.408 2.984 50 0 CFAARO CC[N@H+](C[C@@H](O)c1cc(C)ccc1C)C[C@H]1CCOC1 ZINC000107144966 186160822 /nfs/dbraw/zinc/16/08/22/186160822.db2.gz PNELGSQDNINNPI-NVXWUHKLSA-N 1 0 277.408 2.695 50 0 CFAARO Cn1cncc1CNC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109077213 186242687 /nfs/dbraw/zinc/24/26/87/186242687.db2.gz AYGBJTKJTBRPPA-INIZCTEOSA-N 1 0 290.455 2.554 50 0 CFAARO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000110702830 186314016 /nfs/dbraw/zinc/31/40/16/186314016.db2.gz UPRGKQRNXGHMTE-BPLDGKMQSA-N 1 0 281.421 2.825 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1cccc2cccnc12 ZINC000606442180 351270240 /nfs/dbraw/zinc/27/02/40/351270240.db2.gz YDRJSEZREZCWEM-YDZSZYSISA-N 1 0 295.386 2.588 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000122560655 187038307 /nfs/dbraw/zinc/03/83/07/187038307.db2.gz NBBPRCLVZCFWIG-MRZGDXHCSA-N 1 0 278.783 2.564 50 0 CFAARO CC1(C)[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1c1ccccc1 ZINC000122782224 187051247 /nfs/dbraw/zinc/05/12/47/187051247.db2.gz LCSUZIGEJFPQPI-HOTGVXAUSA-N 1 0 286.419 2.685 50 0 CFAARO CN(Cc1ccc(Cl)s1)C(=O)[C@H]([NH3+])C(C)(C)C ZINC000123352322 187086645 /nfs/dbraw/zinc/08/66/45/187086645.db2.gz NOTKFNYVUAIXQU-JTQLQIEISA-N 1 0 274.817 2.733 50 0 CFAARO C[C@@](O)(C[NH2+]C[C@H]1CC=CCC1)c1ccsc1 ZINC000123476545 187094431 /nfs/dbraw/zinc/09/44/31/187094431.db2.gz DWGZOIBEXMTOAZ-GXTWGEPZSA-N 1 0 251.395 2.902 50 0 CFAARO COc1ccccc1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000200415651 539916511 /nfs/dbraw/zinc/91/65/11/539916511.db2.gz KSBUFPOYFRNOMA-CQSZACIVSA-N 1 0 275.392 2.911 50 0 CFAARO Cn1nccc1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000095420185 282868205 /nfs/dbraw/zinc/86/82/05/282868205.db2.gz AYPJSLRHTWCBBP-HNNXBMFYSA-N 1 0 273.405 2.540 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)c2ccccc2CCc2ccccc2)C1 ZINC000152398827 188015287 /nfs/dbraw/zinc/01/52/87/188015287.db2.gz LOFWEWYAINDMMS-KRWDZBQOSA-N 1 0 294.398 2.645 50 0 CFAARO CCS[C@H]1CC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156132506 188243994 /nfs/dbraw/zinc/24/39/94/188243994.db2.gz KEQRRASUIVHBCO-KGLIPLIRSA-N 1 0 285.453 2.936 50 0 CFAARO O=c1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)nc2ccccn12 ZINC000685939496 540020596 /nfs/dbraw/zinc/02/05/96/540020596.db2.gz OZEMTDMKEMZKEZ-CABCVRRESA-N 1 0 297.402 2.707 50 0 CFAARO c1ccc(N2C[C@@H]3C[N@H+](CCc4ccncc4)C[C@@H]3C2)cc1 ZINC000585145860 540052141 /nfs/dbraw/zinc/05/21/41/540052141.db2.gz KYGGZWKEYWXJHR-HDICACEKSA-N 1 0 293.414 2.692 50 0 CFAARO CC(C)(C)OC(=O)NCC1([C@@H]2CCCC[NH2+]2)CCC1 ZINC000669371544 540076332 /nfs/dbraw/zinc/07/63/32/540076332.db2.gz FUALPSYUAJYWHH-LBPRGKRZSA-N 1 0 268.401 2.824 50 0 CFAARO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2occc2C)cn1 ZINC000083843470 540185401 /nfs/dbraw/zinc/18/54/01/540185401.db2.gz YXNWYOKUVBAHIS-CJNGLKHVSA-N 1 0 289.379 2.672 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000084023561 540192027 /nfs/dbraw/zinc/19/20/27/540192027.db2.gz LPRNRMQAWAVYNA-NSHDSACASA-N 1 0 287.363 2.798 50 0 CFAARO COc1cc(C)c(C[NH2+][C@H]2CCC[C@@]2(C)CO)cc1OC ZINC000084077136 540193303 /nfs/dbraw/zinc/19/33/03/540193303.db2.gz SJGLKBOWGYLPJH-IRXDYDNUSA-N 1 0 293.407 2.653 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCSc1nnc(C2CC2)s1 ZINC000083877925 540187703 /nfs/dbraw/zinc/18/77/03/540187703.db2.gz HLPQTKKNRSIZDY-JTQLQIEISA-N 1 0 269.439 2.992 50 0 CFAARO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(F)c(CO)c2)cn1 ZINC000090779581 540379373 /nfs/dbraw/zinc/37/93/73/540379373.db2.gz WPOHSHUQOOWOEW-LBPRGKRZSA-N 1 0 291.370 2.946 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000294656516 199125611 /nfs/dbraw/zinc/12/56/11/199125611.db2.gz CIVQBEGLPDGFIE-SLEUVZQESA-N 1 0 273.380 2.500 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000294656511 199125862 /nfs/dbraw/zinc/12/58/62/199125862.db2.gz CIVQBEGLPDGFIE-LALPHHSUSA-N 1 0 273.380 2.500 50 0 CFAARO C[N@H+](CCC1(O)CCCC1)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000823701117 781936540 /nfs/dbraw/zinc/93/65/40/781936540.db2.gz VGSNFIBYUKGYIJ-DLBZAZTESA-N 1 0 294.483 2.878 50 0 CFAARO CC[NH2+]Cc1cccc(NC(=O)C2(CCOC)CC2)c1 ZINC000297241480 200124050 /nfs/dbraw/zinc/12/40/50/200124050.db2.gz PTKGMLSJTITPOU-UHFFFAOYSA-N 1 0 276.380 2.551 50 0 CFAARO Cc1cc([C@@H]2CCC[N@H+](CC3(O)CCCCC3)C2)[nH]n1 ZINC000084111138 540681630 /nfs/dbraw/zinc/68/16/30/540681630.db2.gz YQCOPOYYKQTIQW-CQSZACIVSA-N 1 0 277.412 2.593 50 0 CFAARO [NH3+]Cc1c(F)cc(Br)cc1Br ZINC000263625267 283525358 /nfs/dbraw/zinc/52/53/58/283525358.db2.gz YEZSMJPBOFEURS-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO [NH3+][C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000087859016 283551191 /nfs/dbraw/zinc/55/11/91/283551191.db2.gz MEDMOVJGPKLNJJ-XJKSGUPXSA-N 1 0 273.307 2.536 50 0 CFAARO CCc1nc2n(n1)CCC[C@H]2[NH2+]C1CCCCCC1 ZINC000095423689 540724289 /nfs/dbraw/zinc/72/42/89/540724289.db2.gz XOMALODVLSQBKW-CYBMUJFWSA-N 1 0 262.401 2.988 50 0 CFAARO Fc1cccc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)c1 ZINC000089775148 540719962 /nfs/dbraw/zinc/71/99/62/540719962.db2.gz ZKWDMPMPOJRQNW-OAHLLOKOSA-N 1 0 278.371 2.563 50 0 CFAARO CC[N@H+](Cc1ccc2[nH]ccc2c1)Cc1cncnc1 ZINC000252507286 540750593 /nfs/dbraw/zinc/75/05/93/540750593.db2.gz WFZHPXCAQHNOOV-UHFFFAOYSA-N 1 0 266.348 2.980 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000252507285 540750642 /nfs/dbraw/zinc/75/06/42/540750642.db2.gz WFYOYBGKKVSUOY-STQMWFEESA-N 1 0 284.469 2.509 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000178985343 189159636 /nfs/dbraw/zinc/15/96/36/189159636.db2.gz DHUFKKCKRJRIPR-LBPRGKRZSA-N 1 0 294.826 2.686 50 0 CFAARO OCCC1([NH2+]Cc2csc3ccccc23)CCOCC1 ZINC000584907952 540934921 /nfs/dbraw/zinc/93/49/21/540934921.db2.gz UCUMADVSPVWCGY-UHFFFAOYSA-N 1 0 291.416 2.923 50 0 CFAARO C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(Br)cc1 ZINC000584907714 540934985 /nfs/dbraw/zinc/93/49/85/540934985.db2.gz OGGULJMAOCFYFK-UWVGGRQHSA-N 1 0 299.212 2.576 50 0 CFAARO C[N@H+](Cc1ccc(Cl)cc1)CC1(CO)CCC1 ZINC000259141810 540942088 /nfs/dbraw/zinc/94/20/88/540942088.db2.gz ZRNZIHODHVVKQS-UHFFFAOYSA-N 1 0 253.773 2.934 50 0 CFAARO Cn1nccc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000670437102 540994020 /nfs/dbraw/zinc/99/40/20/540994020.db2.gz JLFYSQVXQMRKAP-UHFFFAOYSA-N 1 0 281.403 2.900 50 0 CFAARO COC(C)(C)CC[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000670436791 540994746 /nfs/dbraw/zinc/99/47/46/540994746.db2.gz QMYHUBYHXOQTSK-AWEZNQCLSA-N 1 0 280.387 2.809 50 0 CFAARO C[N@H+](CC[C@@H](O)c1ccccc1)CC1(CO)CCCC1 ZINC000670442156 540996253 /nfs/dbraw/zinc/99/62/53/540996253.db2.gz YISZRXIJFHDIID-MRXNPFEDSA-N 1 0 277.408 2.595 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000299739551 540984338 /nfs/dbraw/zinc/98/43/38/540984338.db2.gz PYYNJPQRHOJFGU-LLVKDONJSA-N 1 0 278.421 2.697 50 0 CFAARO O[C@]1(c2ccccc2)CC[N@H+](CCOCc2ccccc2)C1 ZINC000670467781 541007402 /nfs/dbraw/zinc/00/74/02/541007402.db2.gz XHJYATIVWVFIMI-LJQANCHMSA-N 1 0 297.398 2.797 50 0 CFAARO Cc1c[nH+]ccc1N1CCN(Cc2ccc(Cl)o2)CC1 ZINC000670469115 541007793 /nfs/dbraw/zinc/00/77/93/541007793.db2.gz SQYLSCCSXCJUFJ-UHFFFAOYSA-N 1 0 291.782 2.959 50 0 CFAARO COc1cccc(F)c1CN1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2 ZINC000670468910 541007799 /nfs/dbraw/zinc/00/77/99/541007799.db2.gz MDXQEDNCECYWHF-KBPBESRZSA-N 1 0 292.398 2.750 50 0 CFAARO C[N@H+](C/C=C/c1ccc(F)cc1)CC1(CO)CCC1 ZINC000670472073 541010492 /nfs/dbraw/zinc/01/04/92/541010492.db2.gz VFJWRQHEBNQKOQ-DUXPYHPUSA-N 1 0 263.356 2.933 50 0 CFAARO CC(C)c1cc(CN(C)C[C@H]2CC[N@H+](C)C2(C)C)no1 ZINC000670472813 541011343 /nfs/dbraw/zinc/01/13/43/541011343.db2.gz JCHHELQLELBPSH-CYBMUJFWSA-N 1 0 279.428 2.960 50 0 CFAARO Cn1c(CCC[NH2+][C@@H]2CCCSC2)nc2ccccc21 ZINC000183609789 189364321 /nfs/dbraw/zinc/36/43/21/189364321.db2.gz QYSCANGLZXDUFP-CYBMUJFWSA-N 1 0 289.448 2.991 50 0 CFAARO COC(=O)[C@@H]1CC12CC[NH+](CCSC(C)(C)C)CC2 ZINC000367257432 291305382 /nfs/dbraw/zinc/30/53/82/291305382.db2.gz IIEIVWOXVRZTFL-LBPRGKRZSA-N 1 0 285.453 2.793 50 0 CFAARO COC(=O)C1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000192035455 189611994 /nfs/dbraw/zinc/61/19/94/189611994.db2.gz FRNGWQMAJDDNLO-LKSINWNRSA-N 1 0 277.364 2.775 50 0 CFAARO C[C@@H](C[NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccccc1 ZINC000194476370 189662021 /nfs/dbraw/zinc/66/20/21/189662021.db2.gz FXRPXUQKOBULQV-JEYLPNPQSA-N 1 0 295.448 2.736 50 0 CFAARO CCCO[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000216510141 189705105 /nfs/dbraw/zinc/70/51/05/189705105.db2.gz FPVLMXVJTXYFEX-CYBMUJFWSA-N 1 0 275.352 2.614 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)Nc1nccs1 ZINC000191293430 296155125 /nfs/dbraw/zinc/15/51/25/296155125.db2.gz VVAPRPSRSMZULM-NXEZZACHSA-N 1 0 267.398 2.638 50 0 CFAARO CC[NH+](CC)CCN=C1CCCc2ccccc2N1 ZINC000000196628 371556171 /nfs/dbraw/zinc/55/61/71/371556171.db2.gz HANBURBEPABLAP-UHFFFAOYSA-N 1 0 259.397 2.984 50 0 CFAARO C[n+]1ccccc1CC(=O)c1ccc(Br)cc1 ZINC000000026307 371509412 /nfs/dbraw/zinc/50/94/12/371509412.db2.gz ABKAHMCVCKGZSX-UHFFFAOYSA-N 1 0 291.168 2.699 50 0 in-vitro CFAARO C[N@H+](Cn1c2ccccc2oc1=O)C1CCCCC1 ZINC000000034170 371512170 /nfs/dbraw/zinc/51/21/70/371512170.db2.gz NRJCACVGUBPQBW-UHFFFAOYSA-N 1 0 260.337 2.817 50 0 CFAARO [NH3+][C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000000042797 371516014 /nfs/dbraw/zinc/51/60/14/371516014.db2.gz QGVBKZRNJLJGFM-CQSZACIVSA-N 1 0 255.317 2.700 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000000056556 371518211 /nfs/dbraw/zinc/51/82/11/371518211.db2.gz AQHHHDLHHXJYJD-AWEZNQCLSA-N 1 0 259.349 2.578 50 0 biogenic,fda CFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000000064557 371522223 /nfs/dbraw/zinc/52/22/23/371522223.db2.gz NOWUDYBBYBIBDD-HNNXBMFYSA-N 1 0 263.381 2.529 50 0 CFAARO CC1(C)CC(NC(=O)c2ccccc2F)CC(C)(C)[NH2+]1 ZINC000000186275 371552571 /nfs/dbraw/zinc/55/25/71/371552571.db2.gz ZMNVZYAYTFEADP-UHFFFAOYSA-N 1 0 278.371 2.865 50 0 CFAARO CC[C@H](C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000000192650 371554269 /nfs/dbraw/zinc/55/42/69/371554269.db2.gz KUILOHHBEIBAET-JKSUJKDBSA-N 1 0 273.376 2.818 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000214354 371561551 /nfs/dbraw/zinc/56/15/51/371561551.db2.gz YNWLYCAZWWTDFY-KRWDZBQOSA-N 1 0 288.435 2.810 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000000243697 371566925 /nfs/dbraw/zinc/56/69/25/371566925.db2.gz DJXVUKSGMPSAOZ-INIZCTEOSA-N 1 0 275.392 2.894 50 0 CFAARO COC[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000000275532 371574892 /nfs/dbraw/zinc/57/48/92/371574892.db2.gz LOIYEWCWRYTAQB-VIFPVBQESA-N 1 0 258.159 2.574 50 0 CFAARO c1ccc(C[NH+]2CCN(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000000271913 371574911 /nfs/dbraw/zinc/57/49/11/371574911.db2.gz NNEUOOZOWHIWQD-UHFFFAOYSA-N 1 0 292.386 2.885 50 0 CFAARO OCC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000000278323 371575909 /nfs/dbraw/zinc/57/59/09/371575909.db2.gz KDROITVJGBMCNC-UHFFFAOYSA-N 1 0 255.361 2.724 50 0 CFAARO [NH3+]CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000287374 371577888 /nfs/dbraw/zinc/57/78/88/371577888.db2.gz YAENRSAIJLBRNF-AWEZNQCLSA-N 1 0 255.317 2.896 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1OC ZINC000000293334 371579862 /nfs/dbraw/zinc/57/98/62/371579862.db2.gz FKLFVYLEEONXDY-KBPBESRZSA-N 1 0 279.380 2.751 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000000293019 371580210 /nfs/dbraw/zinc/58/02/10/371580210.db2.gz LNIRWCQAYSWNPP-SECBINFHSA-N 1 0 258.159 2.574 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1OC ZINC000000301375 371581774 /nfs/dbraw/zinc/58/17/74/371581774.db2.gz IWVGVUFXHMKTRI-JQFCIGGWSA-N 1 0 291.391 2.660 50 0 CFAARO C[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccccc1F ZINC000000312230 371586144 /nfs/dbraw/zinc/58/61/44/371586144.db2.gz OGHRAOHFMRHTKI-OLZOCXBDSA-N 1 0 267.344 2.609 50 0 CFAARO CC(C)CCOc1ccc(CNC(N)=[NH2+])cc1Cl ZINC000001269349 371664476 /nfs/dbraw/zinc/66/44/76/371664476.db2.gz FTGVOLGJWCJSIQ-UHFFFAOYSA-N 1 0 269.776 2.748 50 0 CFAARO CCCc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000001459137 371676890 /nfs/dbraw/zinc/67/68/90/371676890.db2.gz RRKJVMJLGIYKRQ-UHFFFAOYSA-N 1 0 274.408 2.853 50 0 CFAARO C[N@@H+]1CCC[C@H](OC(=O)c2cccc(Cl)c2)C1 ZINC000000528524 371635571 /nfs/dbraw/zinc/63/55/71/371635571.db2.gz GOFCGLXPPQNPNI-LBPRGKRZSA-N 1 0 253.729 2.591 50 0 CFAARO COc1ccc2c(c1)[nH+]c(N)n2Cc1ccccc1 ZINC000000554374 371638772 /nfs/dbraw/zinc/63/87/72/371638772.db2.gz WYNXIKPFBBSWFR-UHFFFAOYSA-N 1 0 253.305 2.675 50 0 CFAARO CC[C@@]1(C)C[C@@](O)(CC[NH2+]Cc2ccccc2)CCO1 ZINC000001801287 371706699 /nfs/dbraw/zinc/70/66/99/371706699.db2.gz IXXDOBQTAJWJNA-DLBZAZTESA-N 1 0 277.408 2.877 50 0 CFAARO [NH3+][C@H](Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000001867791 371709790 /nfs/dbraw/zinc/70/97/90/371709790.db2.gz GZEXZRYSGXWVDG-CQSZACIVSA-N 1 0 255.317 2.700 50 0 CFAARO Cc1ccc(OC[C@H](O)[C@H](C)[NH2+]C(C)C)c2c1CCC2 ZINC000002575703 371740123 /nfs/dbraw/zinc/74/01/23/371740123.db2.gz VFIDUCMKNJIJTO-BBRMVZONSA-N 1 0 277.408 2.610 50 0 in-vitro CFAARO Cc1ccc([C@H]2C[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)cc1 ZINC000002585744 371740960 /nfs/dbraw/zinc/74/09/60/371740960.db2.gz KDBWMCGWFKBCFT-KGLIPLIRSA-N 1 0 276.380 2.575 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C(C)C)C1 ZINC000237204761 189868586 /nfs/dbraw/zinc/86/85/86/189868586.db2.gz RHQRGTJPVWZXRA-LBPRGKRZSA-N 1 0 280.437 2.943 50 0 CFAARO S=C(NCCC[NH+]1CCCCC1)Nc1ccccc1 ZINC000002727726 371748643 /nfs/dbraw/zinc/74/86/43/371748643.db2.gz YXIJKVVCIMHBMS-UHFFFAOYSA-N 1 0 277.437 2.849 50 0 CFAARO C[C@@H](NC(=S)NCC[NH+]1CCCCC1)c1ccccc1 ZINC000002872570 371761065 /nfs/dbraw/zinc/76/10/65/371761065.db2.gz GENACJVSBSVXJY-CQSZACIVSA-N 1 0 291.464 2.698 50 0 CFAARO COCC[NH2+]CCCOc1ccc(Cl)cc1C ZINC000002930904 371765212 /nfs/dbraw/zinc/76/52/12/371765212.db2.gz BANAINPWRQTYFI-UHFFFAOYSA-N 1 0 257.761 2.653 50 0 CFAARO Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000003342713 371792530 /nfs/dbraw/zinc/79/25/30/371792530.db2.gz MBIOSLMOOAEETM-GJZGRUSLSA-N 1 0 274.408 2.874 50 0 CFAARO Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000003342714 371792792 /nfs/dbraw/zinc/79/27/92/371792792.db2.gz MBIOSLMOOAEETM-HUUCEWRRSA-N 1 0 274.408 2.874 50 0 CFAARO CCCCNC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004026640 371829381 /nfs/dbraw/zinc/82/93/81/371829381.db2.gz KYZHQGJPBZEGKQ-UONOGXRCSA-N 1 0 268.401 2.777 50 0 CFAARO CC[NH+](CC)CCNc1cc(C)nc(C(C)C)n1 ZINC000004087992 371832247 /nfs/dbraw/zinc/83/22/47/371832247.db2.gz DKGGIJYMLQRUGP-UHFFFAOYSA-N 1 0 250.390 2.662 50 0 CFAARO CC(C)[NH+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000003391493 371797101 /nfs/dbraw/zinc/79/71/01/371797101.db2.gz VWLWJGGGSBEYRT-INIZCTEOSA-N 1 0 265.397 2.683 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003401125 371797158 /nfs/dbraw/zinc/79/71/58/371797158.db2.gz YUQIFIGQVPNNCB-ZDUSSCGKSA-N 1 0 272.392 2.988 50 0 CFAARO CCC[C@@]1(c2cccc(OC(C)=O)c2)CC[N@H+](C)C1 ZINC000003640267 371814121 /nfs/dbraw/zinc/81/41/21/371814121.db2.gz JSVPVVXSCRJFAT-MRXNPFEDSA-N 1 0 261.365 2.985 50 0 CFAARO CCC[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003886996 371822499 /nfs/dbraw/zinc/82/24/99/371822499.db2.gz JBSZZCTUOOODPI-UHFFFAOYSA-N 1 0 261.152 2.932 50 0 CFAARO CC(C)OC(=O)[C@H]1CC[NH2+][C@H]1c1ccccc1Cl ZINC000004237880 371844169 /nfs/dbraw/zinc/84/41/69/371844169.db2.gz MHTYOLYFVGHNQI-AAEUAGOBSA-N 1 0 267.756 2.942 50 0 CFAARO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000004615296 371868180 /nfs/dbraw/zinc/86/81/80/371868180.db2.gz SLPYPYKUAHZCFK-CJNGLKHVSA-N 1 0 294.354 2.669 50 0 CFAARO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000004951527 371877284 /nfs/dbraw/zinc/87/72/84/371877284.db2.gz CGQOSPGAKCSQOM-INIZCTEOSA-N 1 0 277.408 2.775 50 0 CFAARO CCOc1c(C[NH2+]C2CC2)cc(Cl)cc1OC ZINC000010475286 371909154 /nfs/dbraw/zinc/90/91/54/371909154.db2.gz ZGXDGVIGNOQOGE-UHFFFAOYSA-N 1 0 255.745 2.999 50 0 CFAARO CC1CC[NH+](CCCNC(=O)CCc2ccccc2)CC1 ZINC000010540321 371910231 /nfs/dbraw/zinc/91/02/31/371910231.db2.gz DHAWGYSDLNVXPF-UHFFFAOYSA-N 1 0 288.435 2.857 50 0 CFAARO c1ccc([C@H]2[NH2+]CCc3cc4c(cc32)OCO4)cc1 ZINC000011599180 371921552 /nfs/dbraw/zinc/92/15/52/371921552.db2.gz VULHUUBBLOIXLT-MRXNPFEDSA-N 1 0 253.301 2.650 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000013148565 372016670 /nfs/dbraw/zinc/01/66/70/372016670.db2.gz KXDGCQBVVILKGW-TZMCWYRMSA-N 1 0 283.799 2.954 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000013305057 372022153 /nfs/dbraw/zinc/02/21/53/372022153.db2.gz VXWCVTFAHVMOOZ-GDBMZVCRSA-N 1 0 277.408 2.775 50 0 CFAARO CCCCOCCC[NH2+]Cc1ccccc1OC ZINC000013717917 372043225 /nfs/dbraw/zinc/04/32/25/372043225.db2.gz KQTFJBDESFXWFN-UHFFFAOYSA-N 1 0 251.370 2.992 50 0 CFAARO COc1ccc(C[NH2+]CCCOC(C)C)cc1OC ZINC000013717826 372043235 /nfs/dbraw/zinc/04/32/35/372043235.db2.gz IJBBQIMJTRFVEB-UHFFFAOYSA-N 1 0 267.369 2.609 50 0 CFAARO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)C1)c1cccs1 ZINC000012993425 372008200 /nfs/dbraw/zinc/00/82/00/372008200.db2.gz XWPRXRQVSRXMKZ-RYUDHWBXSA-N 1 0 266.410 2.657 50 0 CFAARO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)c1ccccc1 ZINC000016381758 372105244 /nfs/dbraw/zinc/10/52/44/372105244.db2.gz LXHIGEQDBPJVLT-MRXNPFEDSA-N 1 0 299.370 2.623 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000016580551 372111497 /nfs/dbraw/zinc/11/14/97/372111497.db2.gz KCWNEGSTHWIPIQ-UHFFFAOYSA-N 1 0 260.381 2.599 50 0 CFAARO C[C@H]1CCc2c(C(=O)NC3CC[NH+](C)CC3)csc2C1 ZINC000016580619 372111593 /nfs/dbraw/zinc/11/15/93/372111593.db2.gz QXZIVDGEKNYXCI-NSHDSACASA-N 1 0 292.448 2.697 50 0 CFAARO Cc1cccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1 ZINC000016607350 372113532 /nfs/dbraw/zinc/11/35/32/372113532.db2.gz TVQBJCUQMGNMPN-UHFFFAOYSA-N 1 0 288.435 2.979 50 0 CFAARO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccccc1C ZINC000014192412 372062745 /nfs/dbraw/zinc/06/27/45/372062745.db2.gz RYPICICLDSSZHO-UHFFFAOYSA-N 1 0 257.381 2.977 50 0 CFAARO CC(C)(C)c1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000015584684 372088101 /nfs/dbraw/zinc/08/81/01/372088101.db2.gz MYVPGPJGHAIYNZ-UHFFFAOYSA-N 1 0 274.408 2.681 50 0 CFAARO c1coc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000019342339 372156019 /nfs/dbraw/zinc/15/60/19/372156019.db2.gz AAXKJJXQIOKEKP-HNNXBMFYSA-N 1 0 260.381 2.754 50 0 CFAARO CC(C)(C)c1ccccc1OCCCN1CC[NH2+]CC1 ZINC000019728654 372182010 /nfs/dbraw/zinc/18/20/10/372182010.db2.gz PUXZLGDDVMWMJK-UHFFFAOYSA-N 1 0 276.424 2.658 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000019499929 372170517 /nfs/dbraw/zinc/17/05/17/372170517.db2.gz FYWWOWBQGGLIGK-AWEZNQCLSA-N 1 0 292.423 2.620 50 0 CFAARO CC(C)(C)c1ccc(OCCCN2CC[NH2+]CC2)cc1 ZINC000019728656 372182429 /nfs/dbraw/zinc/18/24/29/372182429.db2.gz MUPWPHKGEBAHKF-UHFFFAOYSA-N 1 0 276.424 2.658 50 0 CFAARO C[C@H]([NH2+]C1CCC(O)CC1)c1nc2ccccc2n1C ZINC000019918942 372210385 /nfs/dbraw/zinc/21/03/85/372210385.db2.gz IOEHDRUCZOKRAJ-HIFPTAJRSA-N 1 0 273.380 2.527 50 0 CFAARO CCc1ccc(C[NH+]2CCC(N3CCOCC3)CC2)cc1 ZINC000019938838 372211975 /nfs/dbraw/zinc/21/19/75/372211975.db2.gz WDBXJGKOZGBOOD-UHFFFAOYSA-N 1 0 288.435 2.546 50 0 CFAARO Cc1noc(C)c1C[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000019952269 372213950 /nfs/dbraw/zinc/21/39/50/372213950.db2.gz IUHIIDSBLVZJFS-INIZCTEOSA-N 1 0 274.364 2.847 50 0 CFAARO Cc1cc(C)c(OCCCCN2CC[NH2+]CC2)c(C)c1 ZINC000020117941 372233297 /nfs/dbraw/zinc/23/32/97/372233297.db2.gz ZYQKCJAAJSGDQV-UHFFFAOYSA-N 1 0 276.424 2.676 50 0 CFAARO Cc1ccccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000019781703 372186451 /nfs/dbraw/zinc/18/64/51/372186451.db2.gz XFNVQZVVUOSQML-UHFFFAOYSA-N 1 0 270.376 2.906 50 0 CFAARO CCc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000019842343 372198307 /nfs/dbraw/zinc/19/83/07/372198307.db2.gz DDAYSFJIUQJCHA-UHFFFAOYSA-N 1 0 295.430 2.962 50 0 CFAARO COC(=O)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000025378914 372299131 /nfs/dbraw/zinc/29/91/31/372299131.db2.gz YXRDLTRADBNXEK-UHFFFAOYSA-N 1 0 284.359 2.620 50 0 CFAARO C[C@@H](C[NH2+]Cc1ccccc1)NCc1ccccc1 ZINC000022032957 372243329 /nfs/dbraw/zinc/24/33/29/372243329.db2.gz NADLSYHUPNECSA-HNNXBMFYSA-N 1 0 254.377 2.955 50 0 CFAARO CC(C)(C)C(=O)NCC1CC[NH+](C2CCCC2)CC1 ZINC000023127957 372252574 /nfs/dbraw/zinc/25/25/74/372252574.db2.gz LGJQPGKFQRHTAV-UHFFFAOYSA-N 1 0 266.429 2.803 50 0 CFAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000023283323 372258343 /nfs/dbraw/zinc/25/83/43/372258343.db2.gz GSIZPQOFMQUUMN-INIZCTEOSA-N 1 0 296.418 2.620 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000025420244 372301073 /nfs/dbraw/zinc/30/10/73/372301073.db2.gz HNWMEYRANUDLRA-HOTGVXAUSA-N 1 0 272.392 2.762 50 0 CFAARO Cc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)o1 ZINC000024808376 372281202 /nfs/dbraw/zinc/28/12/02/372281202.db2.gz XCPXLJTZRASESP-UHFFFAOYSA-N 1 0 258.321 2.902 50 0 CFAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCC1 ZINC000024987420 372285513 /nfs/dbraw/zinc/28/55/13/372285513.db2.gz UYFNNKUEQPWIKU-AWEZNQCLSA-N 1 0 276.380 2.723 50 0 CFAARO Cc1ccnc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000028233615 372360677 /nfs/dbraw/zinc/36/06/77/372360677.db2.gz AJKBENAHTUZKTB-INIZCTEOSA-N 1 0 295.386 2.993 50 0 CFAARO O=C(CNC1=[NH+]CCC1)c1ccc(Cl)c(Cl)c1 ZINC000026506857 372323536 /nfs/dbraw/zinc/32/35/36/372323536.db2.gz SSRSNAICAGYLOU-UHFFFAOYSA-N 1 0 271.147 2.958 50 0 CFAARO CC[N@H+](CC(=O)Nc1cc(C)no1)C1CCCCC1 ZINC000027286508 372337207 /nfs/dbraw/zinc/33/72/07/372337207.db2.gz XULSITPXTQIYNY-UHFFFAOYSA-N 1 0 265.357 2.576 50 0 CFAARO Cc1cccc(NC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000027348468 372338662 /nfs/dbraw/zinc/33/86/62/372338662.db2.gz HCAKUDSDGPNSAD-UHFFFAOYSA-N 1 0 275.396 2.993 50 0 CFAARO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1 ZINC000029197028 372376572 /nfs/dbraw/zinc/37/65/72/372376572.db2.gz VPAYBIPVTAYCGS-QGZVFWFLSA-N 1 0 286.375 2.883 50 0 CFAARO COCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000032917446 372476425 /nfs/dbraw/zinc/47/64/25/372476425.db2.gz GRZPMTOWGXQEPE-UHFFFAOYSA-N 1 0 258.159 2.527 50 0 CFAARO O[C@@H](C[NH2+]C1CCCCCC1)COc1ccc(F)cc1 ZINC000032127716 372430895 /nfs/dbraw/zinc/43/08/95/372430895.db2.gz SJBMUEWDZXVXHH-HNNXBMFYSA-N 1 0 281.371 2.878 50 0 CFAARO Cc1ccc(C(N)=O)c(-c2ccc([C@H](C)[NH+](C)C)cc2)n1 ZINC000032558260 372444978 /nfs/dbraw/zinc/44/49/78/372444978.db2.gz WETCGCCMAMMMKB-LBPRGKRZSA-N 1 0 283.375 2.779 50 0 CFAARO CCN1C[C@H](C[N@H+](C)C[C@@H](C)c2ccccc2)CC1=O ZINC000032581007 372446074 /nfs/dbraw/zinc/44/60/74/372446074.db2.gz LYWFJQXOQYQPTH-CABCVRRESA-N 1 0 274.408 2.590 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000032747847 372458858 /nfs/dbraw/zinc/45/88/58/372458858.db2.gz WHGOEQJRXVXRDO-HOCLYGCPSA-N 1 0 272.392 2.762 50 0 CFAARO C[NH2+][C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000033040212 372482557 /nfs/dbraw/zinc/48/25/57/372482557.db2.gz OAQGNOWRFCVXHD-HNNXBMFYSA-N 1 0 270.332 2.594 50 0 CFAARO COc1cc2ccccc2cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000032817396 372463804 /nfs/dbraw/zinc/46/38/04/372463804.db2.gz USZKGVDQDQPGBH-LBPRGKRZSA-N 1 0 286.375 2.528 50 0 CFAARO [NH3+]C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000033441397 372493744 /nfs/dbraw/zinc/49/37/44/372493744.db2.gz JRHDMFNGPALYPO-UHFFFAOYSA-N 1 0 280.371 2.917 50 0 CFAARO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000033467512 372494972 /nfs/dbraw/zinc/49/49/72/372494972.db2.gz MCYLYLQVTSBYAN-AFNCTOJWSA-N 1 0 293.407 2.856 50 0 CFAARO CCOC(=O)c1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000034422951 372509015 /nfs/dbraw/zinc/50/90/15/372509015.db2.gz FTSHBKRKWKZGFZ-UHFFFAOYSA-N 1 0 277.364 2.632 50 0 CFAARO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)NC1CCCC1 ZINC000035132854 372546368 /nfs/dbraw/zinc/54/63/68/372546368.db2.gz NJALAZMPNRCEFH-GHMZBOCLSA-N 1 0 266.410 2.846 50 0 CFAARO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000037002192 372625831 /nfs/dbraw/zinc/62/58/31/372625831.db2.gz COSDZQKJZSTTGD-CABZTGNLSA-N 1 0 254.399 2.670 50 0 CFAARO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000037020912 372635801 /nfs/dbraw/zinc/63/58/01/372635801.db2.gz VXYGDOHMIGHOGC-JGVFFNPUSA-N 1 0 260.790 2.706 50 0 CFAARO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cn1 ZINC000037143154 372654998 /nfs/dbraw/zinc/65/49/98/372654998.db2.gz WHUWTQBGSWPFNC-UHFFFAOYSA-N 1 0 297.402 2.642 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000036864699 372604110 /nfs/dbraw/zinc/60/41/10/372604110.db2.gz LDPQDMZRPYYIKM-UHFFFAOYSA-N 1 0 283.379 2.556 50 0 CFAARO COc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000037856524 372726452 /nfs/dbraw/zinc/72/64/52/372726452.db2.gz UFYJFUWXZYZBEP-HNNXBMFYSA-N 1 0 275.323 2.658 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000037856507 372726947 /nfs/dbraw/zinc/72/69/47/372726947.db2.gz KIFANNPGXQUCEP-INIZCTEOSA-N 1 0 275.323 2.658 50 0 CFAARO O[C@@H](C[NH2+]C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000037893121 372732003 /nfs/dbraw/zinc/73/20/03/372732003.db2.gz XNQQVPZWSYTJSR-ZDUSSCGKSA-N 1 0 289.297 2.507 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000038011128 372764205 /nfs/dbraw/zinc/76/42/05/372764205.db2.gz OPGBITCHTVPESS-LLVKDONJSA-N 1 0 287.363 2.730 50 0 CFAARO O=C(CCc1ccccc1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037915900 372735725 /nfs/dbraw/zinc/73/57/25/372735725.db2.gz MEWJGCMHKCCAPC-QGZVFWFLSA-N 1 0 286.419 2.610 50 0 CFAARO C/C=C/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040162128 372779230 /nfs/dbraw/zinc/77/92/30/372779230.db2.gz WFRZJGOIBJHKKV-VNKDHWASSA-N 1 0 285.391 2.509 50 0 CFAARO COCC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731134 372784679 /nfs/dbraw/zinc/78/46/79/372784679.db2.gz FYSFJGJSZLPOEK-UHFFFAOYSA-N 1 0 257.761 2.863 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]C(C)(C)CO)cc1Cl ZINC000040731031 372784979 /nfs/dbraw/zinc/78/49/79/372784979.db2.gz CJFLFDYECFAODG-UHFFFAOYSA-N 1 0 271.788 2.988 50 0 CFAARO CCCOc1ccc(NC(=O)C(C)(C)[NH3+])cc1Cl ZINC000040922893 372800702 /nfs/dbraw/zinc/80/07/02/372800702.db2.gz CSWVAVURXMNQQF-UHFFFAOYSA-N 1 0 270.760 2.805 50 0 CFAARO c1[nH]nc(-c2ccccc2)c1C[NH2+]CC[C@H]1CCCO1 ZINC000041638799 372854958 /nfs/dbraw/zinc/85/49/58/372854958.db2.gz GJCWAPLNGIXBIG-OAHLLOKOSA-N 1 0 271.364 2.735 50 0 CFAARO CSCc1cccc(C(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000042506258 372928132 /nfs/dbraw/zinc/92/81/32/372928132.db2.gz IYZHWBXITGNXEX-ZDUSSCGKSA-N 1 0 292.448 2.764 50 0 CFAARO COCCc1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042771217 372953573 /nfs/dbraw/zinc/95/35/73/372953573.db2.gz UCTVCDQCICVFDF-HNNXBMFYSA-N 1 0 263.381 2.644 50 0 CFAARO COc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000042969105 372968451 /nfs/dbraw/zinc/96/84/51/372968451.db2.gz OZBWKDNYLWENKI-ZBFHGGJFSA-N 1 0 277.408 2.721 50 0 CFAARO CCOC(=O)c1cccc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000042772780 372954474 /nfs/dbraw/zinc/95/44/74/372954474.db2.gz DTLPWQYHSZFEOD-CQSZACIVSA-N 1 0 277.364 2.774 50 0 CFAARO Cc1cc(O[C@@H]2CCC[NH2+]C2)ccc1Br ZINC000042774829 372954558 /nfs/dbraw/zinc/95/45/58/372954558.db2.gz KLNDGQJYBLASAK-LLVKDONJSA-N 1 0 270.170 2.888 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccc(F)c2)C1 ZINC000047416340 373094600 /nfs/dbraw/zinc/09/46/00/373094600.db2.gz PEPSAVDZAZUGBO-KBPBESRZSA-N 1 0 292.398 2.924 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(CCCc2ccco2)C1 ZINC000244884177 189913930 /nfs/dbraw/zinc/91/39/30/189913930.db2.gz YGUZKAUAADGBPC-AWEZNQCLSA-N 1 0 262.397 2.771 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000049479578 373303383 /nfs/dbraw/zinc/30/33/83/373303383.db2.gz HLPXFEJYZKIFAL-GFCCVEGCSA-N 1 0 266.410 2.598 50 0 CFAARO CC(C)C[N@H+](Cc1nnc(-c2ccco2)o1)C1CC1 ZINC000051735021 373406291 /nfs/dbraw/zinc/40/62/91/373406291.db2.gz RBDUVUXVEQTRRU-UHFFFAOYSA-N 1 0 261.325 2.950 50 0 CFAARO O[C@@H]1CCC[N@H+](Cc2c(Cl)ccc3cccnc32)C1 ZINC000051203944 373388889 /nfs/dbraw/zinc/38/88/89/373388889.db2.gz APSLGOSPINEBCH-GFCCVEGCSA-N 1 0 276.767 2.845 50 0 CFAARO COc1ccccc1OCC[N@H+](C)Cc1ccco1 ZINC000051260032 373392141 /nfs/dbraw/zinc/39/21/41/373392141.db2.gz YTJLPMBECQPLIK-UHFFFAOYSA-N 1 0 261.321 2.799 50 0 CFAARO C[NH+]1C[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000052525318 373445885 /nfs/dbraw/zinc/44/58/85/373445885.db2.gz WWXHATMUSYQHED-IAGOWNOFSA-N 1 0 293.366 2.930 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000054226485 373506721 /nfs/dbraw/zinc/50/67/21/373506721.db2.gz WIKKCNHOYZSCNF-ZFWWWQNUSA-N 1 0 284.359 2.845 50 0 CFAARO OCc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000054965274 373532528 /nfs/dbraw/zinc/53/25/28/373532528.db2.gz XMNZIYACKKYLJK-UHFFFAOYSA-N 1 0 282.387 2.501 50 0 CFAARO C[N@@H+](CCc1ccccn1)CC[C@@H](O)c1ccccc1 ZINC000053932477 373488446 /nfs/dbraw/zinc/48/84/46/373488446.db2.gz HLPFTCCMCZCFSJ-QGZVFWFLSA-N 1 0 270.376 2.680 50 0 CFAARO Nc1ccccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000057218458 373583508 /nfs/dbraw/zinc/58/35/08/373583508.db2.gz WSTXBEUFNZYMMG-WHOFXGATSA-N 1 0 273.380 2.518 50 0 CFAARO Cn1cc(C[NH2+]Cc2ccccn2)c2ccccc21 ZINC000057353193 373590165 /nfs/dbraw/zinc/59/01/65/373590165.db2.gz NBPYDPIFMPUUSW-UHFFFAOYSA-N 1 0 251.333 2.863 50 0 CFAARO CC[C@H](CO)[N@H+](CCc1ccccc1)Cc1ccccn1 ZINC000055071651 373540154 /nfs/dbraw/zinc/54/01/54/373540154.db2.gz DIRBIDHGGXCCAH-GOSISDBHSA-N 1 0 284.403 2.897 50 0 CFAARO CC[C@H](C)C[NH+]1CCC(n2cc(C3CC3)nn2)CC1 ZINC000055284958 373547743 /nfs/dbraw/zinc/54/77/43/373547743.db2.gz AAAYBSZSZUBXCF-LBPRGKRZSA-N 1 0 262.401 2.839 50 0 CFAARO Cc1ccsc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000055385014 373549965 /nfs/dbraw/zinc/54/99/65/373549965.db2.gz XJGNTRBUFSRGQB-CYBMUJFWSA-N 1 0 288.420 2.605 50 0 CFAARO CC(C)COC1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000056507853 373564598 /nfs/dbraw/zinc/56/45/98/373564598.db2.gz OFLJBQPBGOLUOJ-OAHLLOKOSA-N 1 0 296.455 2.524 50 0 CFAARO C[C@@H](c1nc(C2CC2)no1)N1CCC(CC[NH+](C)C)CC1 ZINC000056525378 373566306 /nfs/dbraw/zinc/56/63/06/373566306.db2.gz GOHSAOBEZZSUNJ-LBPRGKRZSA-N 1 0 292.427 2.672 50 0 CFAARO C[C@H](C1CC1)N(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000058169231 373628978 /nfs/dbraw/zinc/62/89/78/373628978.db2.gz MBBMLNGWUZMOOA-CYBMUJFWSA-N 1 0 281.444 2.691 50 0 CFAARO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CCCCC1 ZINC000058246543 373637343 /nfs/dbraw/zinc/63/73/43/373637343.db2.gz NWQOBGHKWLWLEL-RBSFLKMASA-N 1 0 295.471 2.985 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cc(F)ccc1F ZINC000058332933 373645984 /nfs/dbraw/zinc/64/59/84/373645984.db2.gz MJPKJVHVDUNVJQ-GHMZBOCLSA-N 1 0 292.333 2.554 50 0 CFAARO Cc1noc(C)c1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000057622593 373604494 /nfs/dbraw/zinc/60/44/94/373604494.db2.gz FGSSSGKYTVAXKL-OAHLLOKOSA-N 1 0 259.353 2.967 50 0 CFAARO CCc1ccc(NC(=O)C[NH2+]Cc2ccccc2)cc1 ZINC000057738127 373610449 /nfs/dbraw/zinc/61/04/49/373610449.db2.gz RSXCXUZTXXRIHG-UHFFFAOYSA-N 1 0 268.360 2.977 50 0 CFAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000057881280 373615551 /nfs/dbraw/zinc/61/55/51/373615551.db2.gz GZEXWUJOIOJQMN-NSHDSACASA-N 1 0 283.322 2.523 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000058420915 373657042 /nfs/dbraw/zinc/65/70/42/373657042.db2.gz XGLRYLPBDCMZDV-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO CC(C)(C)C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000058775100 373669716 /nfs/dbraw/zinc/66/97/16/373669716.db2.gz MLIHPLGPSJUMRY-UHFFFAOYSA-N 1 0 280.437 2.829 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000059180963 373679274 /nfs/dbraw/zinc/67/92/74/373679274.db2.gz JBQOYQVUEWFWMY-NSHDSACASA-N 1 0 278.425 2.815 50 0 CFAARO COc1ccc(OCC[N@H+](C)CCc2ccncc2)cc1 ZINC000060625335 373702080 /nfs/dbraw/zinc/70/20/80/373702080.db2.gz BXXXUVSINQTFSU-UHFFFAOYSA-N 1 0 286.375 2.644 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCSC2)cc1OC ZINC000061571635 373721731 /nfs/dbraw/zinc/72/17/31/373721731.db2.gz IOGFHRIYDRXZQP-GFCCVEGCSA-N 1 0 267.394 2.689 50 0 CFAARO C[C@@H](CO)C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000063857633 373816430 /nfs/dbraw/zinc/81/64/30/373816430.db2.gz VXQKGZPEQKTMIM-OAHLLOKOSA-N 1 0 270.376 2.712 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(F)cc1Cl ZINC000063193576 373792897 /nfs/dbraw/zinc/79/28/97/373792897.db2.gz ZNRJIPQNWBCQKY-ZANVPECISA-N 1 0 284.762 2.821 50 0 CFAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)C1CC1 ZINC000065494138 373879739 /nfs/dbraw/zinc/87/97/39/373879739.db2.gz NJMPFCZAQBZKHL-UHFFFAOYSA-N 1 0 280.799 2.640 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc2nonc2c1 ZINC000065496755 373880537 /nfs/dbraw/zinc/88/05/37/373880537.db2.gz ZYVWBXJYUCMOTF-JTQLQIEISA-N 1 0 263.341 2.516 50 0 CFAARO COc1ccc(-c2cc(C[NH2+][C@H]3CCSC3)no2)cc1 ZINC000065508673 373882381 /nfs/dbraw/zinc/88/23/81/373882381.db2.gz UAYQQTLXWLUOMB-LBPRGKRZSA-N 1 0 290.388 2.945 50 0 CFAARO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000065287732 373852787 /nfs/dbraw/zinc/85/27/87/373852787.db2.gz SKJHQDVSIQBYGM-MRXNPFEDSA-N 1 0 284.407 2.986 50 0 CFAARO O=C(c1ccncc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288706 373854914 /nfs/dbraw/zinc/85/49/14/373854914.db2.gz SKCDSKOLPQMQAA-INIZCTEOSA-N 1 0 287.407 2.562 50 0 CFAARO CNC(=O)C[C@H](C)[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000065395760 373866115 /nfs/dbraw/zinc/86/61/15/373866115.db2.gz ZBBJEDDVTJGHJV-UELRPHRMSA-N 1 0 260.381 2.546 50 0 CFAARO C[C@H](CCc1ccccc1)[NH2+]CCSc1c[nH]nn1 ZINC000065398020 373867254 /nfs/dbraw/zinc/86/72/54/373867254.db2.gz GAPVOTSQBOBUDA-GFCCVEGCSA-N 1 0 276.409 2.508 50 0 CFAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065430688 373870942 /nfs/dbraw/zinc/87/09/42/373870942.db2.gz LYYWKHCCXZUXCH-JTQLQIEISA-N 1 0 288.313 2.662 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065453331 373873029 /nfs/dbraw/zinc/87/30/29/373873029.db2.gz MRHJOPLICFPIJJ-MRXNPFEDSA-N 1 0 286.419 2.910 50 0 CFAARO CCCn1cnnc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000065457698 373874646 /nfs/dbraw/zinc/87/46/46/373874646.db2.gz LIVSUPXHZLNDTA-AWEZNQCLSA-N 1 0 272.396 2.799 50 0 CFAARO C[N@H+](CCC(N)=O)Cc1ccccc1-c1ccccc1 ZINC000065463421 373875235 /nfs/dbraw/zinc/87/52/35/373875235.db2.gz MFZPZKCIQMJBLM-UHFFFAOYSA-N 1 0 268.360 2.661 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000066151498 373917209 /nfs/dbraw/zinc/91/72/09/373917209.db2.gz ISWDYTOQZVLOCR-MRXNPFEDSA-N 1 0 271.360 2.558 50 0 CFAARO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2ccccc2)CCCC1 ZINC000066318092 373922463 /nfs/dbraw/zinc/92/24/63/373922463.db2.gz LNIGAKZKQMKDNP-HOTGVXAUSA-N 1 0 286.419 2.781 50 0 CFAARO Cc1ccc2cc(C[N@H+](C)Cc3cccnc3)c(=O)[nH]c2c1 ZINC000067723837 373997437 /nfs/dbraw/zinc/99/74/37/373997437.db2.gz ZGHNSIMQVWHGLX-UHFFFAOYSA-N 1 0 293.370 2.864 50 0 CFAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000067756563 373998617 /nfs/dbraw/zinc/99/86/17/373998617.db2.gz DPNCUDVYSPMGPI-INIZCTEOSA-N 1 0 261.365 2.552 50 0 CFAARO C[C@H](CC1CCCCC1)[NH2+]CCCC(=O)N(C)C ZINC000067758845 373999371 /nfs/dbraw/zinc/99/93/71/373999371.db2.gz ADYGRVSQDKAWMX-CYBMUJFWSA-N 1 0 254.418 2.803 50 0 CFAARO C[N@@H+]1CCC[C@@H](CNC(=O)CCCc2cccs2)C1 ZINC000067773635 374002564 /nfs/dbraw/zinc/00/25/64/374002564.db2.gz GIODROPYOVDZAT-ZDUSSCGKSA-N 1 0 280.437 2.529 50 0 CFAARO CC(=O)c1ccccc1-c1nc(CC2CC[NH+](C)CC2)no1 ZINC000067878359 374013196 /nfs/dbraw/zinc/01/31/96/374013196.db2.gz PGLPWDCCDZCRDB-UHFFFAOYSA-N 1 0 299.374 2.824 50 0 CFAARO CCOC(=O)[C@]1(CCCc2ccccc2)CCC[NH2+]C1 ZINC000067879352 374013518 /nfs/dbraw/zinc/01/35/18/374013518.db2.gz KHMUPZPLNLZPJC-QGZVFWFLSA-N 1 0 275.392 2.942 50 0 CFAARO COc1cc(OC)cc(-c2cccc3c2O[C@H](C[NH3+])C3)c1 ZINC000067934620 374014856 /nfs/dbraw/zinc/01/48/56/374014856.db2.gz PTJRDYJWPKUPAF-HNNXBMFYSA-N 1 0 285.343 2.633 50 0 CFAARO O=C1CCCN1CC[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000067921723 374015200 /nfs/dbraw/zinc/01/52/00/374015200.db2.gz CJLVKXKJXOZBFJ-LBPRGKRZSA-N 1 0 292.345 2.806 50 0 CFAARO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1[nH]nc2c1CCC2 ZINC000067489932 373981979 /nfs/dbraw/zinc/98/19/79/373981979.db2.gz MPHUUOOBUFYVQY-LLVKDONJSA-N 1 0 273.355 2.758 50 0 CFAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ncc[nH]2)C1 ZINC000067668331 373989702 /nfs/dbraw/zinc/98/97/02/373989702.db2.gz BANFEIXULWZFHD-HNNXBMFYSA-N 1 0 298.434 2.931 50 0 CFAARO CC[N@@H+](Cc1ccc2cccc(O)c2n1)C[C@@H]1CCCO1 ZINC000067654532 373989833 /nfs/dbraw/zinc/98/98/33/373989833.db2.gz KULYFECDHLWZSC-HNNXBMFYSA-N 1 0 286.375 2.941 50 0 CFAARO Cc1cc(C)cc(CCC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000067691905 373993657 /nfs/dbraw/zinc/99/36/57/373993657.db2.gz ALYPBJDEQPTRIX-KRWDZBQOSA-N 1 0 288.435 2.694 50 0 CFAARO CC(C)C[N@H+](CC(=O)N[C@H](C)c1ccco1)C1CC1 ZINC000069322036 374053603 /nfs/dbraw/zinc/05/36/03/374053603.db2.gz CRQMEQCQWGRRKN-GFCCVEGCSA-N 1 0 264.369 2.577 50 0 CFAARO O[C@H](CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000069326666 374054229 /nfs/dbraw/zinc/05/42/29/374054229.db2.gz PCVVMXQGOFVSSV-HZPDHXFCSA-N 1 0 294.826 2.544 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)cc1OC ZINC000069372113 374058076 /nfs/dbraw/zinc/05/80/76/374058076.db2.gz MYYHEOUBMQKYRX-CHWSQXEVSA-N 1 0 289.379 2.640 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccs1 ZINC000069652075 374082344 /nfs/dbraw/zinc/08/23/44/374082344.db2.gz XEOLJAKNIMBNBW-OLZOCXBDSA-N 1 0 278.421 2.837 50 0 CFAARO CCCC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000069420379 374062025 /nfs/dbraw/zinc/06/20/25/374062025.db2.gz LXTDDGNVWZATPX-UHFFFAOYSA-N 1 0 278.371 2.774 50 0 CFAARO COCCC[NH+]1CCC(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC000069485456 374067699 /nfs/dbraw/zinc/06/76/99/374067699.db2.gz DRQHCLQDVYLVLF-HNNXBMFYSA-N 1 0 298.471 2.676 50 0 CFAARO CC(=O)N[C@H]1CCC[N@H+](CCSc2ccccc2F)C1 ZINC000069967789 374112129 /nfs/dbraw/zinc/11/21/29/374112129.db2.gz SHXLGWTZMIDXBK-ZDUSSCGKSA-N 1 0 296.411 2.518 50 0 CFAARO C[C@@H]([NH2+]CCOc1ccc(F)cc1)[C@@H](C)n1cccn1 ZINC000069967232 374112598 /nfs/dbraw/zinc/11/25/98/374112598.db2.gz QTRZZYISNAYMSE-CHWSQXEVSA-N 1 0 277.343 2.640 50 0 CFAARO CC(C)(C)[C@@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccs1 ZINC000070012363 374114773 /nfs/dbraw/zinc/11/47/73/374114773.db2.gz QHXZBOXQIJTDOY-JSGCOSHPSA-N 1 0 293.436 2.683 50 0 CFAARO c1ccc(CN2CCC[C@H]([NH+]3CCCCCC3)C2)nc1 ZINC000070040434 374118911 /nfs/dbraw/zinc/11/89/11/374118911.db2.gz CCYQPNNEVJAIBX-KRWDZBQOSA-N 1 0 273.424 2.922 50 0 CFAARO Cc1ccc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)s1 ZINC000069814940 374100082 /nfs/dbraw/zinc/10/00/82/374100082.db2.gz VQMZPTSGPABKRJ-UHFFFAOYSA-N 1 0 280.437 2.860 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)ccc1F ZINC000069810858 374100826 /nfs/dbraw/zinc/10/08/26/374100826.db2.gz XHIOEHOJOFSENV-CVEARBPZSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1ccc(F)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069843116 374102080 /nfs/dbraw/zinc/10/20/80/374102080.db2.gz XQWHOQGWVLLDJR-JKSUJKDBSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CC3CCCC3)C2)n1 ZINC000069842261 374102154 /nfs/dbraw/zinc/10/21/54/374102154.db2.gz ABPWSXFXKYBWIZ-MRXNPFEDSA-N 1 0 276.428 2.797 50 0 CFAARO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)nn1 ZINC000069817596 374102716 /nfs/dbraw/zinc/10/27/16/374102716.db2.gz BWNVMMJVOGQWNB-CQSZACIVSA-N 1 0 288.420 2.605 50 0 CFAARO CCCN(Cc1ccccc1)C(=O)/C=C/C[NH+](C)C ZINC000069847188 374104704 /nfs/dbraw/zinc/10/47/04/374104704.db2.gz JBMODBRVZBWYHX-DHZHZOJOSA-N 1 0 260.381 2.543 50 0 CFAARO c1ccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CCOCO2)cc1 ZINC000069899869 374106819 /nfs/dbraw/zinc/10/68/19/374106819.db2.gz UXZHACMCGCOXEI-IRXDYDNUSA-N 1 0 275.392 2.847 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2c(F)cccc2Cl)c1 ZINC000069892727 374107667 /nfs/dbraw/zinc/10/76/67/374107667.db2.gz PHUTUCMCLSPAKM-UHFFFAOYSA-N 1 0 267.735 2.774 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000070172792 374138899 /nfs/dbraw/zinc/13/88/99/374138899.db2.gz JMYXMEZWQQVDQF-NXEZZACHSA-N 1 0 284.762 2.679 50 0 CFAARO [NH3+]CCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1 ZINC000070463083 374183292 /nfs/dbraw/zinc/18/32/92/374183292.db2.gz AFUGXROVXBYBHU-UHFFFAOYSA-N 1 0 283.322 2.558 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)c(OC)c1 ZINC000070327996 374166166 /nfs/dbraw/zinc/16/61/66/374166166.db2.gz SZSWWPXNLYBMPL-KGLIPLIRSA-N 1 0 279.380 2.751 50 0 CFAARO Cc1ccc2ccc(C[C@@H](O)C[NH2+]C(C)(C)C)nc2c1 ZINC000071771771 374221328 /nfs/dbraw/zinc/22/13/28/374221328.db2.gz PFJIJCSFGZGVOK-OAHLLOKOSA-N 1 0 272.392 2.835 50 0 CFAARO CCO[C@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)C1 ZINC000071772255 374223995 /nfs/dbraw/zinc/22/39/95/374223995.db2.gz SDCUQXPVQKVHDQ-HNNXBMFYSA-N 1 0 279.355 2.899 50 0 CFAARO Cc1ccc(CN2CCN(c3cc(C)[nH+]c(C)c3)CC2)o1 ZINC000072423820 374251886 /nfs/dbraw/zinc/25/18/86/374251886.db2.gz RQEVIWZZJRJXRN-UHFFFAOYSA-N 1 0 285.391 2.922 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000072440430 374254300 /nfs/dbraw/zinc/25/43/00/374254300.db2.gz VGRZWPUMMWWQEC-JGVFFNPUSA-N 1 0 256.708 2.545 50 0 CFAARO C[N@@H+]1CCN(C(=O)C[C@@H]2C=CCC2)C2(CCCCC2)C1 ZINC000072306715 374244232 /nfs/dbraw/zinc/24/42/32/374244232.db2.gz FMGFIMVYJIIKQO-OAHLLOKOSA-N 1 0 276.424 2.820 50 0 CFAARO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(N2CCCC2=O)cc1 ZINC000072312306 374244453 /nfs/dbraw/zinc/24/44/53/374244453.db2.gz DFVLGVLARNTOID-CYBMUJFWSA-N 1 0 283.375 2.992 50 0 CFAARO O=c1cccc2n1CCC[N@H+]2Cc1ccccc1Cl ZINC000072329869 374245985 /nfs/dbraw/zinc/24/59/85/374245985.db2.gz UABRXFNGUFVBCF-UHFFFAOYSA-N 1 0 274.751 2.912 50 0 CFAARO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000072343484 374246938 /nfs/dbraw/zinc/24/69/38/374246938.db2.gz OTGFFFNZWBXWSL-LLVKDONJSA-N 1 0 288.782 2.846 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000074333561 374416093 /nfs/dbraw/zinc/41/60/93/374416093.db2.gz JLZKYVBRGZSKNM-LLVKDONJSA-N 1 0 297.358 2.716 50 0 CFAARO Cc1ccc(CNC(=O)C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000075108158 374458404 /nfs/dbraw/zinc/45/84/04/374458404.db2.gz WYKJSJVDKIXQCZ-AWEZNQCLSA-N 1 0 274.408 2.732 50 0 CFAARO CC(C)[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCOCC1 ZINC000077323798 374562023 /nfs/dbraw/zinc/56/20/23/374562023.db2.gz GOXLWVDPLJJINO-GOEBONIOSA-N 1 0 296.455 2.571 50 0 CFAARO CC[C@@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(N)=O ZINC000079029491 374583833 /nfs/dbraw/zinc/58/38/33/374583833.db2.gz KCQMXCUWJLPFIV-XHDPSFHLSA-N 1 0 256.349 2.754 50 0 CFAARO CC[N@@H+](Cc1nc2c(cccc2F)[nH]1)C[C@@H]1CCOC1 ZINC000079354277 374606097 /nfs/dbraw/zinc/60/60/97/374606097.db2.gz CWMPJKRDRBFFGQ-NSHDSACASA-N 1 0 277.343 2.560 50 0 CFAARO CC[NH2+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079437183 374612672 /nfs/dbraw/zinc/61/26/72/374612672.db2.gz XLGFNRJFDOPKCM-UHFFFAOYSA-N 1 0 276.380 2.645 50 0 CFAARO Cc1cc(=O)c(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000079480466 374616373 /nfs/dbraw/zinc/61/63/73/374616373.db2.gz RIICMDWTTQRFIF-AWEZNQCLSA-N 1 0 285.343 2.643 50 0 CFAARO Cc1ncc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)n1-c1ccccc1 ZINC000084048209 374760302 /nfs/dbraw/zinc/76/03/02/374760302.db2.gz MHDUTSXATREFOA-MSOLQXFVSA-N 1 0 299.418 2.821 50 0 CFAARO C[NH+](C)[C@H]1CCCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000082106481 374726621 /nfs/dbraw/zinc/72/66/21/374726621.db2.gz KVPPCAVNIRWFBO-INIZCTEOSA-N 1 0 299.418 2.584 50 0 CFAARO CCc1nsc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000088164919 374835609 /nfs/dbraw/zinc/83/56/09/374835609.db2.gz RMYJNGRYPYPHFH-FGWVZKOKSA-N 1 0 266.414 2.528 50 0 CFAARO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000088737847 374860918 /nfs/dbraw/zinc/86/09/18/374860918.db2.gz XDMCTKREUFRIEM-WBVHZDCISA-N 1 0 290.451 2.505 50 0 CFAARO Cc1cccn2cc(C[N@@H+]3CCC[C@H](c4cc[nH]n4)C3)nc12 ZINC000089700417 374939361 /nfs/dbraw/zinc/93/93/61/374939361.db2.gz WDPKIVQMEXPVGU-AWEZNQCLSA-N 1 0 295.390 2.745 50 0 CFAARO COc1cccc2c1CC[C@H]2[NH2+]Cc1cccn1C ZINC000089756753 374946546 /nfs/dbraw/zinc/94/65/46/374946546.db2.gz FYUAAJLEPHWJRV-OAHLLOKOSA-N 1 0 256.349 2.811 50 0 CFAARO Cn1cc(N2CCC[C@@H]([NH2+]C3CCCCCC3)C2)cn1 ZINC000089755839 374946560 /nfs/dbraw/zinc/94/65/60/374946560.db2.gz DEXFOFAVXANZHX-OAHLLOKOSA-N 1 0 276.428 2.701 50 0 CFAARO CC[C@](C)(CC(=O)OC)[NH2+]Cc1nc2ccc(F)cc2o1 ZINC000089942043 374974304 /nfs/dbraw/zinc/97/43/04/374974304.db2.gz YNBCRIGSZAFCJL-OAHLLOKOSA-N 1 0 294.326 2.788 50 0 CFAARO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000089949054 374974608 /nfs/dbraw/zinc/97/46/08/374974608.db2.gz CDQGVPDTFGVGMW-YOEHRIQHSA-N 1 0 299.418 2.905 50 0 CFAARO Cn1ccnc1C[C@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000090003985 374984728 /nfs/dbraw/zinc/98/47/28/374984728.db2.gz DMFDDORSJNNVBX-CQSZACIVSA-N 1 0 289.448 2.979 50 0 CFAARO CC(C)[NH+](CCSc1ncnc2n[nH]cc21)C(C)C ZINC000090147502 374993386 /nfs/dbraw/zinc/99/33/86/374993386.db2.gz ZOJPYQJZBQIFKS-UHFFFAOYSA-N 1 0 279.413 2.564 50 0 CFAARO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2sccc2C)C1 ZINC000090411747 375014232 /nfs/dbraw/zinc/01/42/32/375014232.db2.gz HUUZELUZOSVQSX-VXGBXAGGSA-N 1 0 281.425 2.511 50 0 CFAARO CC[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000090537397 375020373 /nfs/dbraw/zinc/02/03/73/375020373.db2.gz GVKWPEJHUADRLV-JTQLQIEISA-N 1 0 254.761 2.975 50 0 CFAARO CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091390740 375048949 /nfs/dbraw/zinc/04/89/49/375048949.db2.gz DDEIKMSCYLQTIQ-ZWKOTPCHSA-N 1 0 286.419 2.562 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1C ZINC000091632285 375054686 /nfs/dbraw/zinc/05/46/86/375054686.db2.gz OHTOEJUPYIGBJZ-XQQFMLRXSA-N 1 0 295.379 2.528 50 0 CFAARO CCn1nc(C)c(C[NH+]2C[C@@H](C)S[C@H](C)C2)c1C ZINC000092540663 375122054 /nfs/dbraw/zinc/12/20/54/375122054.db2.gz QSHCZZNWMBUSDC-GHMZBOCLSA-N 1 0 267.442 2.846 50 0 CFAARO c1[nH]nc2c1cccc2C[N@@H+]1CCOC2(CCCC2)C1 ZINC000093588991 375269684 /nfs/dbraw/zinc/26/96/84/375269684.db2.gz CKMRFLRGMGDHNJ-UHFFFAOYSA-N 1 0 271.364 2.708 50 0 CFAARO CC[C@@H]1CC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000095468611 375459615 /nfs/dbraw/zinc/45/96/15/375459615.db2.gz AXUNLKZTXVJGJF-WBVHZDCISA-N 1 0 273.424 2.778 50 0 CFAARO c1ccc(-c2nc3c([nH]2)C[N@H+]([C@H]2CCSC2)CC3)cc1 ZINC000095497059 375460858 /nfs/dbraw/zinc/46/08/58/375460858.db2.gz CQCSBGVYGIPZFU-ZDUSSCGKSA-N 1 0 285.416 2.940 50 0 CFAARO CCC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1[NH+](C)C ZINC000095499853 375461567 /nfs/dbraw/zinc/46/15/67/375461567.db2.gz ADYFRDNORJIGHA-NVXWUHKLSA-N 1 0 299.418 2.970 50 0 CFAARO CC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000095915750 375462894 /nfs/dbraw/zinc/46/28/94/375462894.db2.gz CLEVZBPYLTYZHC-UHFFFAOYSA-N 1 0 269.186 2.591 50 0 CFAARO CCc1cccc2c1N(C(=O)[C@H]([NH3+])c1ccccc1)CC2 ZINC000095972162 375464341 /nfs/dbraw/zinc/46/43/41/375464341.db2.gz XIWAFKPRUOEQMH-MRXNPFEDSA-N 1 0 280.371 2.838 50 0 CFAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000095972682 375464360 /nfs/dbraw/zinc/46/43/60/375464360.db2.gz APVUGNCZZPYUEI-CQSZACIVSA-N 1 0 271.364 2.798 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000095988286 375464733 /nfs/dbraw/zinc/46/47/33/375464733.db2.gz UMXCCXSXAGKWHK-GDBMZVCRSA-N 1 0 279.428 2.592 50 0 CFAARO c1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000095973080 375465069 /nfs/dbraw/zinc/46/50/69/375465069.db2.gz PDQBAZBNWZRHAS-UHFFFAOYSA-N 1 0 274.412 2.569 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000096001643 375466735 /nfs/dbraw/zinc/46/67/35/375466735.db2.gz BOGZFVRGFUNZEY-MJBXVCDLSA-N 1 0 298.427 2.543 50 0 CFAARO Cc1cnc(NC[C@@H]2CCC[N@H+](Cc3ccco3)C2)nc1 ZINC000095358844 375419551 /nfs/dbraw/zinc/41/95/51/375419551.db2.gz GBHMOJKBNDCFRY-AWEZNQCLSA-N 1 0 286.379 2.702 50 0 CFAARO Cc1c(Cl)cc(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]C3)cc1Cl ZINC000095359742 375419603 /nfs/dbraw/zinc/41/96/03/375419603.db2.gz YXVGVYIVDZDQPO-PHIMTYICSA-N 1 0 299.201 2.878 50 0 CFAARO C[C@@H](Cc1cn(CC2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000095368615 375423468 /nfs/dbraw/zinc/42/34/68/375423468.db2.gz CTZGTTJDUQUPIH-AWEZNQCLSA-N 1 0 284.407 2.624 50 0 CFAARO Cc1noc(C)c1CN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095380965 375427034 /nfs/dbraw/zinc/42/70/34/375427034.db2.gz RZRROJQLWXVBGX-AWEZNQCLSA-N 1 0 293.411 2.514 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(F)cc1 ZINC000095383657 375427270 /nfs/dbraw/zinc/42/72/70/375427270.db2.gz YDKDZVNTIFLHQY-MRXNPFEDSA-N 1 0 292.398 2.749 50 0 CFAARO Cc1cccc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000095387112 375428878 /nfs/dbraw/zinc/42/88/78/375428878.db2.gz BDGWBZYZVALCCH-QGZVFWFLSA-N 1 0 288.435 2.918 50 0 CFAARO Fc1cnccc1N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000096138736 375470678 /nfs/dbraw/zinc/47/06/78/375470678.db2.gz RQEOTOKPKBUZAQ-AWEZNQCLSA-N 1 0 277.387 2.923 50 0 CFAARO C[S@](=O)CCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415494 375437303 /nfs/dbraw/zinc/43/73/03/375437303.db2.gz XOLQQWSUJMSLED-LJQANCHMSA-N 1 0 296.823 2.746 50 0 CFAARO C[S@@](=O)CCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415493 375437401 /nfs/dbraw/zinc/43/74/01/375437401.db2.gz XOLQQWSUJMSLED-IBGZPJMESA-N 1 0 296.823 2.746 50 0 CFAARO C[C@H](Cn1ccnc1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415406 375437710 /nfs/dbraw/zinc/43/77/10/375437710.db2.gz MJDBEOQEUYCCDO-LLVKDONJSA-N 1 0 276.409 2.785 50 0 CFAARO c1ccc2nc(NCC[NH2+]Cc3ccncc3)ccc2c1 ZINC000095415549 375437792 /nfs/dbraw/zinc/43/77/92/375437792.db2.gz LDAJMZKEMYOUCO-UHFFFAOYSA-N 1 0 278.359 2.832 50 0 CFAARO Cc1ccccc1[C@@H](C)[NH2+]CCCO[C@H]1CCOC1 ZINC000095419464 375439418 /nfs/dbraw/zinc/43/94/18/375439418.db2.gz LBLKVCXDLNNUMJ-CABCVRRESA-N 1 0 263.381 2.841 50 0 CFAARO C[NH+]1CCN(c2ccc(NCc3ccsc3)cn2)CC1 ZINC000095418832 375439505 /nfs/dbraw/zinc/43/95/05/375439505.db2.gz QOOJHTHLUVFLHA-UHFFFAOYSA-N 1 0 288.420 2.507 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(-n2ccnc2)cc1 ZINC000095420551 375440440 /nfs/dbraw/zinc/44/04/40/375440440.db2.gz UQYILAFGXZGSKJ-KDOFPFPSSA-N 1 0 298.434 2.863 50 0 CFAARO COc1ccc(C)cc1[C@H](C)[NH2+]CCCn1cccn1 ZINC000095419815 375441150 /nfs/dbraw/zinc/44/11/50/375441150.db2.gz BMJDKTJTGKRCAI-AWEZNQCLSA-N 1 0 273.380 2.941 50 0 CFAARO COC[C@@H](C)[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000095423748 375442300 /nfs/dbraw/zinc/44/23/00/375442300.db2.gz PXICQEMPLYMDRE-ZYHUDNBSSA-N 1 0 265.378 2.559 50 0 CFAARO CCc1nncn1CC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000095423456 375442444 /nfs/dbraw/zinc/44/24/44/375442444.db2.gz VLRUZBPOIALNOK-OAHLLOKOSA-N 1 0 272.396 2.890 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000095423883 375442526 /nfs/dbraw/zinc/44/25/26/375442526.db2.gz LKNXMXOIHJXBOS-TZMCWYRMSA-N 1 0 290.432 2.824 50 0 CFAARO CCOC[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000095431922 375446700 /nfs/dbraw/zinc/44/67/00/375446700.db2.gz YEMLGXAGSOFKJY-AWEZNQCLSA-N 1 0 283.799 2.706 50 0 CFAARO COCCN(C)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000095435232 375447811 /nfs/dbraw/zinc/44/78/11/375447811.db2.gz SHMJXYAHWJZOEJ-QGZVFWFLSA-N 1 0 290.451 2.868 50 0 CFAARO COC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000097148076 375531602 /nfs/dbraw/zinc/53/16/02/375531602.db2.gz WRLCGEFUOINNKD-GOEBONIOSA-N 1 0 291.391 2.568 50 0 CFAARO Cc1ccccc1-n1cnnc1SC[C@H]1CC[N@@H+](C)C1 ZINC000097165085 375535551 /nfs/dbraw/zinc/53/55/51/375535551.db2.gz LSZSPPOEFJNPDT-ZDUSSCGKSA-N 1 0 288.420 2.620 50 0 CFAARO COc1ccc(F)cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202949 375538510 /nfs/dbraw/zinc/53/85/10/375538510.db2.gz BXAUWHYMDPBIKD-UHFFFAOYSA-N 1 0 289.354 2.937 50 0 CFAARO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CC[NH3+])cc1 ZINC000097228800 375541981 /nfs/dbraw/zinc/54/19/81/375541981.db2.gz DYMGOWRFWZZNKW-OAHLLOKOSA-N 1 0 274.408 2.996 50 0 CFAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000097236631 375543262 /nfs/dbraw/zinc/54/32/62/375543262.db2.gz CZTAHVCXMJRUNW-GFCCVEGCSA-N 1 0 282.771 2.859 50 0 CFAARO Cc1ccc([C@@H](C)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000097037663 375498773 /nfs/dbraw/zinc/49/87/73/375498773.db2.gz WNZAYVBMCJIMET-CQSZACIVSA-N 1 0 272.396 2.926 50 0 CFAARO O=C(CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000097045782 375499691 /nfs/dbraw/zinc/49/96/91/375499691.db2.gz WHVVKDCXCLTFGU-RHSMWYFYSA-N 1 0 291.366 2.899 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000097099057 375516655 /nfs/dbraw/zinc/51/66/55/375516655.db2.gz SJUGKKUPKSZGGH-ILXRZTDVSA-N 1 0 264.413 2.579 50 0 CFAARO Cn1cc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)cn1 ZINC000097102368 375518047 /nfs/dbraw/zinc/51/80/47/375518047.db2.gz JDWCQNMWYIXXFH-SFHVURJKSA-N 1 0 298.434 2.564 50 0 CFAARO Cn1c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)nnc1C1CCC1 ZINC000097103321 375518094 /nfs/dbraw/zinc/51/80/94/375518094.db2.gz QTBDXEBJTNNCSK-GFCCVEGCSA-N 1 0 292.427 2.518 50 0 CFAARO CCC(=O)N1CC[C@@H](Nc2cc[nH+]c3c(C)cccc23)C1 ZINC000098020464 375591726 /nfs/dbraw/zinc/59/17/26/375591726.db2.gz HCVYCSZZBVRSQJ-CYBMUJFWSA-N 1 0 283.375 2.966 50 0 CFAARO CCC/C=C\CC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000098053193 375594977 /nfs/dbraw/zinc/59/49/77/375594977.db2.gz KXBCBZXVCRUUCA-SREVYHEPSA-N 1 0 252.402 2.533 50 0 CFAARO COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c(C)s1 ZINC000097374184 375552728 /nfs/dbraw/zinc/55/27/28/375552728.db2.gz TZLJEHZIPGSQAG-CABZTGNLSA-N 1 0 283.393 2.500 50 0 CFAARO Cc1cc([C@H](C)[NH2+]CC(=O)N2CCC[C@H](C)C2)c(C)o1 ZINC000097373936 375553441 /nfs/dbraw/zinc/55/34/41/375553441.db2.gz TXMPFKPWUGOHCJ-AAEUAGOBSA-N 1 0 278.396 2.806 50 0 CFAARO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)[C@@H]1CCCO1 ZINC000097373190 375553693 /nfs/dbraw/zinc/55/36/93/375553693.db2.gz HTFLCRREPAIBSW-SFYZADRCSA-N 1 0 280.315 2.819 50 0 CFAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000097377043 375554662 /nfs/dbraw/zinc/55/46/62/375554662.db2.gz BCKODEGBTNUOIX-ZDUSSCGKSA-N 1 0 275.421 2.936 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1ncc[nH]1 ZINC000097379553 375557225 /nfs/dbraw/zinc/55/72/25/375557225.db2.gz POOIUZWSRKXHJD-ZDUSSCGKSA-N 1 0 271.364 2.628 50 0 CFAARO CC(C)OC[C@@H](O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000097475735 375564888 /nfs/dbraw/zinc/56/48/88/375564888.db2.gz RRYQYYVUFIGNSW-HNNXBMFYSA-N 1 0 281.396 2.810 50 0 CFAARO CC[N@H+](Cc1nccs1)[C@H]1CCOC(C)(C)C1 ZINC000097642629 375575815 /nfs/dbraw/zinc/57/58/15/375575815.db2.gz FMBNKPFSAPLCOD-NSHDSACASA-N 1 0 254.399 2.923 50 0 CFAARO Cc1ccc(-n2cc(CN3CCC[C@@H](C[NH3+])C3)cn2)cc1C ZINC000097773078 375584786 /nfs/dbraw/zinc/58/47/86/375584786.db2.gz DFPGBPYMAYUQJM-INIZCTEOSA-N 1 0 298.434 2.660 50 0 CFAARO [NH3+]CC[C@]1(c2ccccn2)CCOC2(CCCC2)C1 ZINC000097758210 375584889 /nfs/dbraw/zinc/58/48/89/375584889.db2.gz IJVNQJHHXLTQFV-HNNXBMFYSA-N 1 0 260.381 2.791 50 0 CFAARO CC[C@H](C)COCn1cc[n+](COCc2ccccc2)c1 ZINC000261492963 190039345 /nfs/dbraw/zinc/03/93/45/190039345.db2.gz RHTDLVABONIILB-INIZCTEOSA-N 1 0 289.399 2.970 50 0 CFAARO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000112406319 375918360 /nfs/dbraw/zinc/91/83/60/375918360.db2.gz VIGFOTSACNBRLA-NSHDSACASA-N 1 0 283.213 2.758 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000119571151 376437155 /nfs/dbraw/zinc/43/71/55/376437155.db2.gz WMUPTCMZBCYMKS-BZPMIXESSA-N 1 0 276.428 2.997 50 0 CFAARO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cccs1 ZINC000121230758 376785832 /nfs/dbraw/zinc/78/58/32/376785832.db2.gz ZYGKTRWFXGPELA-UHFFFAOYSA-N 1 0 268.426 2.779 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000130973988 377640108 /nfs/dbraw/zinc/64/01/08/377640108.db2.gz OTPZNUKWLABINL-OFAQMXQXSA-N 1 0 295.386 2.588 50 0 CFAARO COC(=O)N1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000133331765 377921486 /nfs/dbraw/zinc/92/14/86/377921486.db2.gz QZSUINDZCCUFLC-AWEZNQCLSA-N 1 0 290.407 2.686 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000133139885 377907525 /nfs/dbraw/zinc/90/75/25/377907525.db2.gz ARZMSOPPDCKKPI-LSDHHAIUSA-N 1 0 274.408 2.699 50 0 CFAARO CC(C)C[C@@H](C[NH3+])NC(=O)c1csc(-c2ccoc2)n1 ZINC000155574012 378629625 /nfs/dbraw/zinc/62/96/25/378629625.db2.gz HJQLBNIWXRXDJP-NSHDSACASA-N 1 0 293.392 2.506 50 0 CFAARO O=C([C@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CC[NH2+]CC1 ZINC000159341479 378703898 /nfs/dbraw/zinc/70/38/98/378703898.db2.gz HEKBWLHMBDPCHC-QWRGUYRKSA-N 1 0 299.201 2.529 50 0 CFAARO Cc1ccc(CN2CCC[C@H]([NH3+])C2)cc1Br ZINC000164135780 379007665 /nfs/dbraw/zinc/00/76/65/379007665.db2.gz ZZIQMLKSEBGFGJ-LBPRGKRZSA-N 1 0 283.213 2.681 50 0 CFAARO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cccc(F)c1Cl ZINC000165350935 379037304 /nfs/dbraw/zinc/03/73/04/379037304.db2.gz OWWDRDHYMKZZCI-JTQLQIEISA-N 1 0 284.762 2.823 50 0 CFAARO CC1(C(=O)NCCCF)CC[NH+](Cc2ccccc2)CC1 ZINC000165067339 379031555 /nfs/dbraw/zinc/03/15/55/379031555.db2.gz AQINOXRNYKESLH-UHFFFAOYSA-N 1 0 292.398 2.765 50 0 CFAARO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1cccc(F)c1 ZINC000166671068 379059756 /nfs/dbraw/zinc/05/97/56/379059756.db2.gz DUDUSDFHHWCIOA-ANTHHZPCSA-N 1 0 257.374 2.633 50 0 CFAARO Cc1cnc(C[C@@H]2CCC[NH2+]C2)n1Cc1ccc(F)cc1 ZINC000169676617 379108059 /nfs/dbraw/zinc/10/80/59/379108059.db2.gz SHSQTSLQBRPQRT-HNNXBMFYSA-N 1 0 287.382 2.921 50 0 CFAARO Fc1ccc(N2CC[NH+](CC[C@@H]3CCCCO3)CC2)cc1 ZINC000170594601 379121908 /nfs/dbraw/zinc/12/19/08/379121908.db2.gz SSOPSCHQKFNTPU-KRWDZBQOSA-N 1 0 292.398 2.907 50 0 CFAARO CCCc1nc(C[NH2+][C@H]2CCC[C@@]2(C)CO)cs1 ZINC000170607223 379127024 /nfs/dbraw/zinc/12/70/24/379127024.db2.gz QRUGONRZGVJHGI-JSGCOSHPSA-N 1 0 268.426 2.736 50 0 CFAARO FC(F)(F)COCCN1CCc2ccccc2C1 ZINC000170629726 379131038 /nfs/dbraw/zinc/13/10/38/379131038.db2.gz MZFUYPJGFGHFJJ-UHFFFAOYSA-N 1 0 259.271 2.624 50 0 CFAARO CCC(C)(C)NC(=O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000170639842 379132552 /nfs/dbraw/zinc/13/25/52/379132552.db2.gz GMAOSIITPBSKSZ-UHFFFAOYSA-N 1 0 254.418 2.803 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(F)c(F)cc1F ZINC000170082871 379115986 /nfs/dbraw/zinc/11/59/86/379115986.db2.gz DXGBJIOFZCMYDV-LKFCYVNXSA-N 1 0 272.314 2.806 50 0 CFAARO C[C@@H](C[NH2+]Cc1nc(-c2ccccc2)c[nH]1)Cn1ccnc1 ZINC000170085174 379116397 /nfs/dbraw/zinc/11/63/97/379116397.db2.gz IKDNMCUJKJNFTQ-AWEZNQCLSA-N 1 0 295.390 2.699 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)c2ccccc2C)C1 ZINC000178337722 380438518 /nfs/dbraw/zinc/43/85/18/380438518.db2.gz VPTHEMAFQHUEFQ-OAHLLOKOSA-N 1 0 288.435 2.731 50 0 CFAARO C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@H]1CCCOC1 ZINC000408522741 380939946 /nfs/dbraw/zinc/93/99/46/380939946.db2.gz CTGXQISZQCMIKV-ONGXEEELSA-N 1 0 272.751 2.779 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2F)C1 ZINC000049396748 412942104 /nfs/dbraw/zinc/94/21/04/412942104.db2.gz HLQDFDZBWAVWNA-GFCCVEGCSA-N 1 0 279.359 2.678 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000000200676 169572331 /nfs/dbraw/zinc/57/23/31/169572331.db2.gz OZXIEYSSLNEUEL-LBPRGKRZSA-N 1 0 253.367 2.523 50 0 CFAARO OC[C@]1(c2ccccc2)CC[N@H+](Cc2ccsc2)C1 ZINC000291299443 381740798 /nfs/dbraw/zinc/74/07/98/381740798.db2.gz QLETXNTTWNWIBU-INIZCTEOSA-N 1 0 273.401 2.884 50 0 CFAARO CCOC1CC2(C1)CC[N@H+](Cc1cnc(N(C)C)s1)C2 ZINC000348866740 381744195 /nfs/dbraw/zinc/74/41/95/381744195.db2.gz HBESOKHFABWJCQ-UHFFFAOYSA-N 1 0 295.452 2.600 50 0 CFAARO C[NH+](C)CCCN1c2cccc3cccc(c23)C1=O ZINC000000346686 169613317 /nfs/dbraw/zinc/61/33/17/169613317.db2.gz BMTXMWZTHWASHB-UHFFFAOYSA-N 1 0 254.333 2.752 50 0 CFAARO CC(C)c1cc(C[N@H+](C)CCC(=O)NC(C)(C)C)on1 ZINC000299766656 382043506 /nfs/dbraw/zinc/04/35/06/382043506.db2.gz DXJCRQAXEASIFW-UHFFFAOYSA-N 1 0 281.400 2.535 50 0 CFAARO COCC[NH2+]Cc1cc2cc(C)ccc2nc1N1CCCC1 ZINC000299766262 382043599 /nfs/dbraw/zinc/04/35/99/382043599.db2.gz MMMCXOHMDYSWDE-UHFFFAOYSA-N 1 0 299.418 2.879 50 0 CFAARO Cc1cccc2cc(C[NH2+]C[C@@H]3CCCO3)c(N(C)C)nc12 ZINC000299778783 382045549 /nfs/dbraw/zinc/04/55/49/382045549.db2.gz QTVHLWCIOHUHRO-INIZCTEOSA-N 1 0 299.418 2.878 50 0 CFAARO COc1ccccc1-c1cc2c(c(OC)c1)OCC[NH2+]C2 ZINC000299776583 382045896 /nfs/dbraw/zinc/04/58/96/382045896.db2.gz MOZLSPSETSKGIL-UHFFFAOYSA-N 1 0 285.343 2.853 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCN1CC(Oc2ccccc2F)C1 ZINC000299780363 382046406 /nfs/dbraw/zinc/04/64/06/382046406.db2.gz KVRFQIRLZASICI-CQSZACIVSA-N 1 0 292.398 2.763 50 0 CFAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ncccc3C)[C@H]2C1 ZINC000299783662 382046463 /nfs/dbraw/zinc/04/64/63/382046463.db2.gz XIUYGHMLZSPRQN-HYVNUMGLSA-N 1 0 290.407 2.548 50 0 CFAARO COCC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(F)cc1 ZINC000299799600 382049898 /nfs/dbraw/zinc/04/98/98/382049898.db2.gz SVPLYXBAFCRKBL-GFCCVEGCSA-N 1 0 294.370 2.511 50 0 CFAARO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)O)CCCS2 ZINC000187671104 382241018 /nfs/dbraw/zinc/24/10/18/382241018.db2.gz CDVPAINYIACNDN-MFKMUULPSA-N 1 0 267.394 2.593 50 0 CFAARO C[C@@H](C[NH2+]C[C@]1(O)CCSC1)c1cccc(Cl)c1 ZINC000188091031 382342712 /nfs/dbraw/zinc/34/27/12/382342712.db2.gz XGAVAYNARSHXDN-SMDDNHRTSA-N 1 0 285.840 2.901 50 0 CFAARO C1=C(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)CCCC1 ZINC000328597634 382551699 /nfs/dbraw/zinc/55/16/99/382551699.db2.gz IGPYNGFFKXEVHG-OAHLLOKOSA-N 1 0 286.423 2.904 50 0 CFAARO C[C@H]1CN(Cc2c(F)cccc2F)CC2(CCOCC2)O1 ZINC000390835787 382619503 /nfs/dbraw/zinc/61/95/03/382619503.db2.gz YJDQCZHMPJSKIO-LBPRGKRZSA-N 1 0 297.345 2.735 50 0 CFAARO C(C1CCC2(CC1)OCCO2)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000190191310 382656327 /nfs/dbraw/zinc/65/63/27/382656327.db2.gz KUKWPYSPMSHOFF-HZPDHXFCSA-N 1 0 295.423 2.563 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(n2cncn2)CC1 ZINC000191059324 382689713 /nfs/dbraw/zinc/68/97/13/382689713.db2.gz PQOLHSWFDDBQRU-GDBMZVCRSA-N 1 0 274.412 2.907 50 0 CFAARO Cc1ccc(C[NH2+]CC2(N(C)C)CCOCC2)cc1Cl ZINC000195443185 382767935 /nfs/dbraw/zinc/76/79/35/382767935.db2.gz ZGXGRDMVFWWGKR-UHFFFAOYSA-N 1 0 296.842 2.849 50 0 CFAARO [NH3+]CCCC(=O)N1CCC[C@H]1[C@H]1CCCc2ccccc21 ZINC000195542487 382769258 /nfs/dbraw/zinc/76/92/58/382769258.db2.gz YCEHFSADVDDUHS-IRXDYDNUSA-N 1 0 286.419 2.836 50 0 CFAARO Cc1ccc2ncc(C[N@H+](C)CCc3ccncc3)n2c1 ZINC000195562056 382769426 /nfs/dbraw/zinc/76/94/26/382769426.db2.gz BWFBKAOVJDZVBF-UHFFFAOYSA-N 1 0 280.375 2.712 50 0 CFAARO Cc1c[nH+]c(C)n1CCNC(=O)CCC1CCCC1 ZINC000575554993 382773589 /nfs/dbraw/zinc/77/35/89/382773589.db2.gz IZNNUXAUSNHBPX-UHFFFAOYSA-N 1 0 263.385 2.587 50 0 CFAARO C[N@@H+]1C[C@@H]2CC[C@H]1CN(Cc1cc(-c3ccccc3)no1)C2 ZINC000215239435 382777896 /nfs/dbraw/zinc/77/78/96/382777896.db2.gz UPWYLIVCFFGIFL-HOCLYGCPSA-N 1 0 297.402 2.868 50 0 CFAARO COC[C@H]1CC[N@H+](Cc2cnc(-c3cccs3)nc2)C1 ZINC000215474605 382779020 /nfs/dbraw/zinc/77/90/20/382779020.db2.gz FDXSNHWMJXYXSS-LBPRGKRZSA-N 1 0 289.404 2.673 50 0 CFAARO COc1cc(C)sc1C(=O)NCCCC[NH+]1CCCC1 ZINC000215768659 382780115 /nfs/dbraw/zinc/78/01/15/382780115.db2.gz RQPPBWJZJBRNGI-UHFFFAOYSA-N 1 0 296.436 2.671 50 0 CFAARO Cc1cc(C[NH+]2CCC(c3ccncc3)CC2)on1 ZINC000215675522 382780197 /nfs/dbraw/zinc/78/01/97/382780197.db2.gz BMJCGBRRERIJKX-UHFFFAOYSA-N 1 0 257.337 2.758 50 0 CFAARO COCc1cc(C[N@H+](C)Cc2c[nH]nc2C)ccc1OC ZINC000216273918 382782484 /nfs/dbraw/zinc/78/24/84/382782484.db2.gz GERQBSZPWDXULF-UHFFFAOYSA-N 1 0 289.379 2.505 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000216617199 382784115 /nfs/dbraw/zinc/78/41/15/382784115.db2.gz SVFJZWYZKHWUCV-HPYCZGCESA-N 1 0 292.810 2.939 50 0 CFAARO Cc1ccc(CNc2cc(C3CC(O)C3)[nH+]c(N)n2)cc1C ZINC000218988846 382791475 /nfs/dbraw/zinc/79/14/75/382791475.db2.gz HXMYQCXERPMJMJ-UHFFFAOYSA-N 1 0 298.390 2.526 50 0 CFAARO Cc1ccc(CNc2cc(C3CC([NH3+])C3)ncn2)s1 ZINC000219002823 382791633 /nfs/dbraw/zinc/79/16/33/382791633.db2.gz OTWLFMKIFSXDPE-UHFFFAOYSA-N 1 0 274.393 2.663 50 0 CFAARO CC/C=C\CCC[N@@H+]1CCCn2nc([C@@H](C)O)cc2C1 ZINC000221374902 382798187 /nfs/dbraw/zinc/79/81/87/382798187.db2.gz BDCOJKPIGAGNJA-ZRUQZJFASA-N 1 0 277.412 2.889 50 0 CFAARO COC[C@@H](O)C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000225549198 382818030 /nfs/dbraw/zinc/81/80/30/382818030.db2.gz FVSKOTFASYYJJT-CABZTGNLSA-N 1 0 283.755 2.744 50 0 CFAARO COC[C@@H](O)C[NH2+][C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000225549131 382818063 /nfs/dbraw/zinc/81/80/63/382818063.db2.gz FVSKOTFASYYJJT-SKDRFNHKSA-N 1 0 283.755 2.744 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC000225563682 382818629 /nfs/dbraw/zinc/81/86/29/382818629.db2.gz MHWLXAGRVWUKOX-KGLIPLIRSA-N 1 0 255.402 2.944 50 0 CFAARO O=C(c1ccoc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000225687258 382820545 /nfs/dbraw/zinc/82/05/45/382820545.db2.gz DVNCGLZVUOIFFX-KRWDZBQOSA-N 1 0 296.370 2.552 50 0 CFAARO CCCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)[NH+](C)C ZINC000455427491 382912334 /nfs/dbraw/zinc/91/23/34/382912334.db2.gz FFTOVNWIANQPLJ-ZDUSSCGKSA-N 1 0 295.402 2.697 50 0 CFAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC000229857435 382853281 /nfs/dbraw/zinc/85/32/81/382853281.db2.gz BMZBEFCUGUJMTP-BVRBVLIYSA-N 1 0 286.466 2.621 50 0 CFAARO OC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000230086022 382855569 /nfs/dbraw/zinc/85/55/69/382855569.db2.gz XRNKENKDBGWPOU-NILFDRSVSA-N 1 0 283.799 2.514 50 0 CFAARO Cc1ccc(CCCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000230207368 382857582 /nfs/dbraw/zinc/85/75/82/382857582.db2.gz JYUPEARTTUDPCL-HZPDHXFCSA-N 1 0 288.435 2.869 50 0 CFAARO CC[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COC(C)C ZINC000230201143 382857586 /nfs/dbraw/zinc/85/75/86/382857586.db2.gz NBHFSBMZWIEKSW-TZMCWYRMSA-N 1 0 283.437 2.843 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC([NH3+])CC1 ZINC000236648891 382902621 /nfs/dbraw/zinc/90/26/21/382902621.db2.gz MPOSVEHODNNHDR-UHFFFAOYSA-N 1 0 296.798 2.691 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(F)c(CSC)c1 ZINC000237124710 382951692 /nfs/dbraw/zinc/95/16/92/382951692.db2.gz CSRFADHFGYAULI-ZDUSSCGKSA-N 1 0 296.411 2.513 50 0 CFAARO COc1ccccc1[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000237224615 382953794 /nfs/dbraw/zinc/95/37/94/382953794.db2.gz FGTHWKYPPKQROV-IUODEOHRSA-N 1 0 290.407 2.508 50 0 CFAARO COc1ccc(N(C(=O)CC(C)(C)[NH3+])[C@H](C)C2CC2)cc1 ZINC000237248236 382954943 /nfs/dbraw/zinc/95/49/43/382954943.db2.gz QBPOZZVLBYWCMI-GFCCVEGCSA-N 1 0 290.407 2.954 50 0 CFAARO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000237302754 382956043 /nfs/dbraw/zinc/95/60/43/382956043.db2.gz XXBTZDPKXZFCDB-NEPJUHHUSA-N 1 0 274.364 2.508 50 0 CFAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1 ZINC000237490771 382962246 /nfs/dbraw/zinc/96/22/46/382962246.db2.gz IXHZXLJJEKJGTI-FZMZJTMJSA-N 1 0 280.799 2.611 50 0 CFAARO Cn1cncc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000237944714 382974326 /nfs/dbraw/zinc/97/43/26/382974326.db2.gz ODVJWGSSCWDPNK-ZDUSSCGKSA-N 1 0 277.368 2.886 50 0 CFAARO CC(C)CCOc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000239359506 382981203 /nfs/dbraw/zinc/98/12/03/382981203.db2.gz AEHXDBDGXYNABG-AWEZNQCLSA-N 1 0 292.423 2.791 50 0 CFAARO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000242048154 382984591 /nfs/dbraw/zinc/98/45/91/382984591.db2.gz VTIIUUBKLZEWLN-HOTGVXAUSA-N 1 0 277.408 2.572 50 0 CFAARO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccncc1 ZINC000242339003 382985330 /nfs/dbraw/zinc/98/53/30/382985330.db2.gz ZECYFNBJTFMRMD-HOTGVXAUSA-N 1 0 259.397 2.530 50 0 CFAARO CCc1ccc(C[C@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000242463368 382985815 /nfs/dbraw/zinc/98/58/15/382985815.db2.gz CZHRRKKPZIBEFS-JKIFEVAISA-N 1 0 261.409 2.883 50 0 CFAARO Cc1cnccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000244690866 382988854 /nfs/dbraw/zinc/98/88/54/382988854.db2.gz IYJZNCSPZYLACB-UHFFFAOYSA-N 1 0 273.424 2.840 50 0 CFAARO COCC1([N@H+](C)CCC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000244594104 382989045 /nfs/dbraw/zinc/98/90/45/382989045.db2.gz DGKZTVUWEIDALL-UHFFFAOYSA-N 1 0 290.407 2.743 50 0 CFAARO Cc1nc(CC[N@H+](C)CC[C@H]2CCCCO2)cs1 ZINC000244842367 382992879 /nfs/dbraw/zinc/99/28/79/382992879.db2.gz UPKKWEWZOGKZRU-CQSZACIVSA-N 1 0 268.426 2.885 50 0 CFAARO Cc1ccnc(C[C@H](C)N(C)Cc2nccs2)c1 ZINC000244882897 382994753 /nfs/dbraw/zinc/99/47/53/382994753.db2.gz YBDYMBRGXKIZQA-LBPRGKRZSA-N 1 0 261.394 2.910 50 0 CFAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000247084234 383141661 /nfs/dbraw/zinc/14/16/61/383141661.db2.gz HFNMMTITZWRULZ-CABCVRRESA-N 1 0 277.412 2.743 50 0 CFAARO C[C@@H]1C[C@H](C)CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246568434 383082902 /nfs/dbraw/zinc/08/29/02/383082902.db2.gz MFWHXWPFJOZKPR-RBSFLKMASA-N 1 0 293.455 2.548 50 0 CFAARO CCC[NH+](CCC)Cc1cc(C(=O)N[C@H](C)CC)no1 ZINC000583650478 383091392 /nfs/dbraw/zinc/09/13/92/383091392.db2.gz BIGXOIRRGRPODM-GFCCVEGCSA-N 1 0 281.400 2.825 50 0 CFAARO C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000585132336 383116674 /nfs/dbraw/zinc/11/66/74/383116674.db2.gz ULRCFFVEGJVDJE-QWQRMKEZSA-N 1 0 286.419 2.768 50 0 CFAARO C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000585132333 383116699 /nfs/dbraw/zinc/11/66/99/383116699.db2.gz ULRCFFVEGJVDJE-GLJUWKHASA-N 1 0 286.419 2.768 50 0 CFAARO Fc1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1F ZINC000247495157 383178011 /nfs/dbraw/zinc/17/80/11/383178011.db2.gz CUJJXLQVUTXTKU-ZDUSSCGKSA-N 1 0 266.335 2.635 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000248010671 383206082 /nfs/dbraw/zinc/20/60/82/383206082.db2.gz XUUHWBJKVBJCFR-RBSFLKMASA-N 1 0 266.429 2.946 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000248160960 383216012 /nfs/dbraw/zinc/21/60/12/383216012.db2.gz XLXLCEMQXVMLKW-ZIAGYGMSSA-N 1 0 294.345 2.664 50 0 CFAARO O=C1C[C@@H](C[NH2+]Cc2ccccc2)c2ccccc2N1 ZINC000521322155 383293632 /nfs/dbraw/zinc/29/36/32/383293632.db2.gz PXIJBSMGHOHBNN-AWEZNQCLSA-N 1 0 266.344 2.902 50 0 CFAARO C[C@H]([NH2+]C[C@H]1CCC=CO1)[C@H]1COc2ccccc21 ZINC000249003319 383316355 /nfs/dbraw/zinc/31/63/55/383316355.db2.gz HRTUBQLUPPGWLW-GZBFAFLISA-N 1 0 259.349 2.833 50 0 CFAARO C[C@H](CC[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O)c1ccccc1 ZINC000249031036 383317731 /nfs/dbraw/zinc/31/77/31/383317731.db2.gz RDHRJKZXSBQHAD-KFWWJZLASA-N 1 0 297.464 2.934 50 0 CFAARO CN(C)c1ccc(-c2cnn([C@@H]3CCCCO3)c2)cn1 ZINC000426429052 383400176 /nfs/dbraw/zinc/40/01/76/383400176.db2.gz QBNDGLPRKZFIQD-HNNXBMFYSA-N 1 0 272.352 2.710 50 0 CFAARO C[C@H](c1ccc(-c2cnc3nccnc3n2)cc1)[NH+](C)C ZINC000426536008 383404080 /nfs/dbraw/zinc/40/40/80/383404080.db2.gz ZZBYNWQHYUQHQQ-LLVKDONJSA-N 1 0 279.347 2.709 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)CSCC1CC1 ZINC000426635489 383408113 /nfs/dbraw/zinc/40/81/13/383408113.db2.gz ORNUXNDFUMJHCX-UHFFFAOYSA-N 1 0 292.448 2.508 50 0 CFAARO Cc1cnccc1CN(C)C(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000426641622 383408263 /nfs/dbraw/zinc/40/82/63/383408263.db2.gz XYKNKEBKRUIBNO-OAHLLOKOSA-N 1 0 289.423 2.613 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000252476970 383409966 /nfs/dbraw/zinc/40/99/66/383409966.db2.gz FUSCLSLEFKWWKU-HOTGVXAUSA-N 1 0 295.471 2.938 50 0 CFAARO C[N@H+](C[C@@H]1CCOC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000252477096 383410482 /nfs/dbraw/zinc/41/04/82/383410482.db2.gz HZKFRGIQKXTRFS-RDJZCZTQSA-N 1 0 274.408 2.624 50 0 CFAARO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CC=C(C)CC1 ZINC000252480273 383410907 /nfs/dbraw/zinc/41/09/07/383410907.db2.gz BZFYCHGPNIQVOI-QGZVFWFLSA-N 1 0 284.403 2.612 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)nc1 ZINC000252481597 383410922 /nfs/dbraw/zinc/41/09/22/383410922.db2.gz COYFQBKHCVHTAC-CQSZACIVSA-N 1 0 270.380 2.747 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000249698271 383356917 /nfs/dbraw/zinc/35/69/17/383356917.db2.gz VUJNITCHSFCSGP-HUUCEWRRSA-N 1 0 292.448 2.766 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccco1 ZINC000249694646 383356965 /nfs/dbraw/zinc/35/69/65/383356965.db2.gz PKSJFPMRHJWCKP-HZPDHXFCSA-N 1 0 290.407 2.688 50 0 CFAARO CCN(C)c1ccc(C[NH2+]Cc2cccc3c2OCO3)cn1 ZINC000252492224 383413464 /nfs/dbraw/zinc/41/34/64/383413464.db2.gz MFYXAMARGJYFIF-UHFFFAOYSA-N 1 0 299.374 2.556 50 0 CFAARO Cc1ccc2[nH]c(C[N@@H+](C)CC3(C)COC3)nc2c1C ZINC000252499183 383414248 /nfs/dbraw/zinc/41/42/48/383414248.db2.gz RWTFGSVZCLFYLR-UHFFFAOYSA-N 1 0 273.380 2.648 50 0 CFAARO Cc1cc(C)cc(NC(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000253397238 383454976 /nfs/dbraw/zinc/45/49/76/383454976.db2.gz YHXYKBCNJWRHRS-UHFFFAOYSA-N 1 0 275.396 2.909 50 0 CFAARO CCOC(=O)CN(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000253392226 383455135 /nfs/dbraw/zinc/45/51/35/383455135.db2.gz NMEQGSJOIDVXSA-GJZGRUSLSA-N 1 0 295.354 2.541 50 0 CFAARO c1cn(CCC[N@@H+]2CCO[C@H](C3CCCCC3)C2)cn1 ZINC000253427087 383458477 /nfs/dbraw/zinc/45/84/77/383458477.db2.gz DDJHDHAJTHHMTI-INIZCTEOSA-N 1 0 277.412 2.554 50 0 CFAARO Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000252586693 383420760 /nfs/dbraw/zinc/42/07/60/383420760.db2.gz RXNWDGOQBSECFP-STQMWFEESA-N 1 0 251.345 2.727 50 0 CFAARO Cc1nnc(CCC[N@@H+](C)[C@@H]2CCCC[C@H]2C)o1 ZINC000252586450 383421082 /nfs/dbraw/zinc/42/10/82/383421082.db2.gz QCUFXDALUKBVLR-DGCLKSJQSA-N 1 0 251.374 2.821 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)NC(C)C)C1 ZINC000257178471 383489908 /nfs/dbraw/zinc/48/99/08/383489908.db2.gz GJXKLSKLYINKFT-AWEZNQCLSA-N 1 0 290.411 2.824 50 0 CFAARO Cc1csc(NC(=O)[C@H]([NH3+])CC2CCCCC2)n1 ZINC000261578418 383517592 /nfs/dbraw/zinc/51/75/92/383517592.db2.gz OXVXFSVQTNIBGN-LLVKDONJSA-N 1 0 267.398 2.688 50 0 CFAARO CC[N@H+](CCc1cnn(C)c1)Cc1ccccc1C ZINC000265583814 383951301 /nfs/dbraw/zinc/95/13/01/383951301.db2.gz JLBMWVVEOOTYAN-UHFFFAOYSA-N 1 0 257.381 2.793 50 0 CFAARO Cn1cc(CC[N@@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC000265623347 383960656 /nfs/dbraw/zinc/96/06/56/383960656.db2.gz RBYNYUATUMOVGP-MRXNPFEDSA-N 1 0 255.365 2.800 50 0 CFAARO CC(C)[C@H](C[NH2+]Cc1cnn(C)c1)Nc1ccccc1 ZINC000118449352 412994467 /nfs/dbraw/zinc/99/44/67/412994467.db2.gz FOHQNBKOHGBNRM-INIZCTEOSA-N 1 0 272.396 2.646 50 0 CFAARO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCn1cc(C)cn1 ZINC000289104792 197235950 /nfs/dbraw/zinc/23/59/50/197235950.db2.gz CISJNZQEILTOJZ-CQSZACIVSA-N 1 0 289.354 2.616 50 0 CFAARO Fc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)nc1 ZINC000283428399 385465770 /nfs/dbraw/zinc/46/57/70/385465770.db2.gz CBAJHDFPTMUHEP-UHFFFAOYSA-N 1 0 286.354 2.692 50 0 CFAARO CC[C@H]([NH2+]CC1(C)CCC1)c1cccc(S(N)(=O)=O)c1 ZINC000283683548 385488402 /nfs/dbraw/zinc/48/84/02/385488402.db2.gz GDTDVOULAUSEPZ-AWEZNQCLSA-N 1 0 296.436 2.565 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1cc2ccccc2o1 ZINC000237406765 256851813 /nfs/dbraw/zinc/85/18/13/256851813.db2.gz CMFHPHBJOJPAGZ-WQYAIIHGSA-N 1 0 284.359 2.784 50 0 CFAARO CCC[C@@H](CNc1ncnc2nc(C)cc(C)c21)[NH+](C)C ZINC000095375147 184958160 /nfs/dbraw/zinc/95/81/60/184958160.db2.gz MYPCAUIBWBAREG-ZDUSSCGKSA-N 1 0 287.411 2.784 50 0 CFAARO CC1(C)C[C@H]([NH2+]CCCCn2ccccc2=O)C(C)(C)O1 ZINC000095421248 184977023 /nfs/dbraw/zinc/97/70/23/184977023.db2.gz GOHHVLUPJVNPKY-AWEZNQCLSA-N 1 0 292.423 2.564 50 0 CFAARO COc1ccc(C[C@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000001634064 169730033 /nfs/dbraw/zinc/73/00/33/169730033.db2.gz HKSKSPMTGBSDOR-INIZCTEOSA-N 1 0 257.333 2.946 50 0 in-vitro CFAARO Cn1cncc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000237933741 131066288 /nfs/dbraw/zinc/06/62/88/131066288.db2.gz DOPMFMAZTXDLFD-WBVHZDCISA-N 1 0 285.391 2.678 50 0 CFAARO CC[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1c1ccccc1 ZINC000245281205 131083888 /nfs/dbraw/zinc/08/38/88/131083888.db2.gz AFNFSUOLXPKCRW-GOEBONIOSA-N 1 0 295.448 2.547 50 0 CFAARO Cc1nnc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)o1 ZINC000245316824 131085016 /nfs/dbraw/zinc/08/50/16/131085016.db2.gz KRXPEHWZHYLIAU-ZWNOBZJWSA-N 1 0 275.327 2.895 50 0 CFAARO c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCC[C@H]43)cc2)cn1 ZINC000245338712 131085513 /nfs/dbraw/zinc/08/55/13/131085513.db2.gz NZJMBOSCGSHZHF-IAGOWNOFSA-N 1 0 283.375 2.626 50 0 CFAARO CC(C)c1cccc(C(C)C)c1OCC[NH2+]CCO ZINC000002933286 393455284 /nfs/dbraw/zinc/45/52/84/393455284.db2.gz IQTSCPKFKSNBQF-UHFFFAOYSA-N 1 0 265.397 2.894 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH+]2CCCC2)cc(C)c1Cl ZINC000003683255 393455859 /nfs/dbraw/zinc/45/58/59/393455859.db2.gz FEJUJKCTEUMYFB-CYBMUJFWSA-N 1 0 283.799 2.792 50 0 CFAARO Nc1cccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000005335355 393460852 /nfs/dbraw/zinc/46/08/52/393460852.db2.gz QMUPZBBJTKGJIF-GDBMZVCRSA-N 1 0 288.391 2.690 50 0 CFAARO Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)c1 ZINC000007126062 393466096 /nfs/dbraw/zinc/46/60/96/393466096.db2.gz GQJLQNLGILBOGT-HNNXBMFYSA-N 1 0 291.358 2.749 50 0 CFAARO Cc1cccc(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000010328150 393471171 /nfs/dbraw/zinc/47/11/71/393471171.db2.gz VEGOACLXSQKQPP-SFHVURJKSA-N 1 0 296.414 2.957 50 0 CFAARO O=C(CC1CC[NH2+]CC1)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000038075524 393538809 /nfs/dbraw/zinc/53/88/09/393538809.db2.gz GRZOKLRNPCBLSJ-RYUDHWBXSA-N 1 0 292.345 2.613 50 0 CFAARO C[C@H](SCc1ccccc1)C(=O)NC1CC[NH+](C)CC1 ZINC000048609123 393589969 /nfs/dbraw/zinc/58/99/69/393589969.db2.gz NPHMBIYMHAVPGN-ZDUSSCGKSA-N 1 0 292.448 2.519 50 0 CFAARO Cc1ccc(OCCN(C)Cc2nccn2C)c(C)c1 ZINC000055041953 393618896 /nfs/dbraw/zinc/61/88/96/393618896.db2.gz YBWOLSKZDBWNLP-UHFFFAOYSA-N 1 0 273.380 2.548 50 0 CFAARO CC(C)CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000053392035 393619258 /nfs/dbraw/zinc/61/92/58/393619258.db2.gz QKJUGQMOVOZXMO-ZDUSSCGKSA-N 1 0 254.418 2.659 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@H](C)Cn2nc(C)cc2C)c1C ZINC000065381927 393630618 /nfs/dbraw/zinc/63/06/18/393630618.db2.gz UAGBJFSUKNEDRJ-GFCCVEGCSA-N 1 0 289.427 2.511 50 0 CFAARO Fc1cc(F)c(O[C@@]23CC[N@H+](C2)CCC3)c(F)c1 ZINC000067691131 393634515 /nfs/dbraw/zinc/63/45/15/393634515.db2.gz FIYCOXBMRUCZOA-ZDUSSCGKSA-N 1 0 257.255 2.721 50 0 CFAARO O=C1OC2(CN1c1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000071788984 393641290 /nfs/dbraw/zinc/64/12/90/393641290.db2.gz RIXHSADSVPAZOJ-UHFFFAOYSA-N 1 0 284.718 2.558 50 0 CFAARO C[C@H](CC[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000193963008 393669003 /nfs/dbraw/zinc/66/90/03/393669003.db2.gz RDHRJKZXSBQHAD-QLFBSQMISA-N 1 0 297.464 2.934 50 0 CFAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2cccs2)cn1 ZINC000083843545 393745406 /nfs/dbraw/zinc/74/54/06/393745406.db2.gz LRGLZXQWEDNZBI-SWLSCSKDSA-N 1 0 291.420 2.832 50 0 CFAARO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000194937529 393723941 /nfs/dbraw/zinc/72/39/41/393723941.db2.gz YLOFCJPXQFIVPT-OAHLLOKOSA-N 1 0 279.384 2.728 50 0 CFAARO CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NC1CC[NH+](C)CC1 ZINC000096435929 393833616 /nfs/dbraw/zinc/83/36/16/393833616.db2.gz URAQFXRFZPGAHH-BPUTZDHNSA-N 1 0 296.455 2.571 50 0 CFAARO COc1cc(Br)ccc1[C@@H]1CCC[NH2+]1 ZINC000096884306 393839639 /nfs/dbraw/zinc/83/96/39/393839639.db2.gz KONXRTIVMZBPHW-JTQLQIEISA-N 1 0 256.143 2.882 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)[C@@H]1COc2ccccc21 ZINC000090844768 393781166 /nfs/dbraw/zinc/78/11/66/393781166.db2.gz JBEYXVNBVLUBCJ-VBNZEHGJSA-N 1 0 297.402 2.952 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cnccn2)C1 ZINC000241588211 393798006 /nfs/dbraw/zinc/79/80/06/393798006.db2.gz PAVPJDFTOOKOFZ-LSDHHAIUSA-N 1 0 274.412 2.567 50 0 CFAARO Cc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000095460798 393812633 /nfs/dbraw/zinc/81/26/33/393812633.db2.gz XVAZCKWHFWEZGZ-OAHLLOKOSA-N 1 0 275.396 2.799 50 0 CFAARO Fc1ccc(N2CCC[C@H](C[NH+]3CCCCC3)C2)nc1 ZINC000096138147 393815842 /nfs/dbraw/zinc/81/58/42/393815842.db2.gz WGTKAQZQSWHFKB-CQSZACIVSA-N 1 0 277.387 2.923 50 0 CFAARO O[C@@H](C[N@H+](CCc1ccncc1)C1CC1)c1ccccc1 ZINC000096410361 393823873 /nfs/dbraw/zinc/82/38/73/393823873.db2.gz LCDHUNOHBULWFZ-SFHVURJKSA-N 1 0 282.387 2.822 50 0 CFAARO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000096414985 393826071 /nfs/dbraw/zinc/82/60/71/393826071.db2.gz KYLMXVANZPRWHC-HOCLYGCPSA-N 1 0 291.366 2.899 50 0 CFAARO C[C@H](O)C[N@H+](CCc1ccncc1)Cc1ccccc1 ZINC000096421164 393828554 /nfs/dbraw/zinc/82/85/54/393828554.db2.gz XBCOWRXLROJRFG-HNNXBMFYSA-N 1 0 270.376 2.507 50 0 CFAARO CC(C)=CC[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000096424287 393829756 /nfs/dbraw/zinc/82/97/56/393829756.db2.gz YAKNABDHTFMQKR-OAHLLOKOSA-N 1 0 259.397 2.726 50 0 CFAARO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC000096432451 393832698 /nfs/dbraw/zinc/83/26/98/393832698.db2.gz JAQHZORBDHAHRD-QWHCGFSZSA-N 1 0 280.437 2.652 50 0 CFAARO O=C(NCCC(F)(F)F)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452108 393833525 /nfs/dbraw/zinc/83/35/25/393833525.db2.gz UMSOZSNNQIXWDX-LLVKDONJSA-N 1 0 292.345 2.710 50 0 CFAARO CC[NH+]1CCN(Cn2c3ccccc3oc2=S)CC1 ZINC000022037580 542870936 /nfs/dbraw/zinc/87/09/36/542870936.db2.gz GIZXPUYBTWFUBL-UHFFFAOYSA-N 1 0 277.393 2.559 50 0 CFAARO C[N@H+](CCOc1cccc(Cl)c1)CCc1cn[nH]c1 ZINC000252486831 393935362 /nfs/dbraw/zinc/93/53/62/393935362.db2.gz HPDVKJKUBJUURJ-UHFFFAOYSA-N 1 0 279.771 2.616 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C(/C)c2cccc(Cl)c2)C1 ZINC000255223756 393943384 /nfs/dbraw/zinc/94/33/84/393943384.db2.gz RKBHNMJUDAMBNQ-LLBKUYECSA-N 1 0 292.810 2.811 50 0 CFAARO [NH3+]Cc1c(Br)cc(F)cc1Br ZINC000263624762 393964397 /nfs/dbraw/zinc/96/43/97/393964397.db2.gz TZDSZVXAEUNSJV-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000089340289 135059207 /nfs/dbraw/zinc/05/92/07/135059207.db2.gz HZKFRGIQKXTRFS-DOTOQJQBSA-N 1 0 274.408 2.624 50 0 CFAARO Cc1ncsc1CC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000648722567 395285153 /nfs/dbraw/zinc/28/51/53/395285153.db2.gz OQLFAVOPUIOZGS-CQSZACIVSA-N 1 0 287.432 2.863 50 0 CFAARO Cc1ccc(CC(=O)N2CCC[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000037916130 543032211 /nfs/dbraw/zinc/03/22/11/543032211.db2.gz HRBLMIUHEAKONC-QGZVFWFLSA-N 1 0 286.419 2.528 50 0 CFAARO C[C@H](c1ccccc1Cl)[NH+]1CCC(CC(N)=O)CC1 ZINC000048025434 397589007 /nfs/dbraw/zinc/58/90/07/397589007.db2.gz KRUCDXDPXCUOSD-LLVKDONJSA-N 1 0 280.799 2.988 50 0 CFAARO Clc1cccc(N2CC[C@H]([NH2+]C[C@H]3CCOC3)C2)c1 ZINC000108328355 397598017 /nfs/dbraw/zinc/59/80/17/397598017.db2.gz SNYLHQQGHKBDMJ-OCCSQVGLSA-N 1 0 280.799 2.545 50 0 CFAARO Clc1cccc(N2CC[C@@H]([NH2+]C[C@H]3CCOC3)C2)c1 ZINC000108328360 397598092 /nfs/dbraw/zinc/59/80/92/397598092.db2.gz SNYLHQQGHKBDMJ-TZMCWYRMSA-N 1 0 280.799 2.545 50 0 CFAARO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000215150114 397619269 /nfs/dbraw/zinc/61/92/69/397619269.db2.gz TXMUFXVPGQWNCS-HNNXBMFYSA-N 1 0 298.434 2.914 50 0 CFAARO CSc1nc(N[C@@H](C)Cc2ncccc2C)cc(N)[nH+]1 ZINC000824952205 782000150 /nfs/dbraw/zinc/00/01/50/782000150.db2.gz LYIBPAMKLWQSGW-JTQLQIEISA-N 1 0 289.408 2.527 50 0 CFAARO O[C@@H]1c2cc(Br)ccc2[NH+]=C2CCCN21 ZINC000000519034 296574295 /nfs/dbraw/zinc/57/42/95/296574295.db2.gz AUQWYMCHCXUVHQ-LLVKDONJSA-N 1 0 267.126 2.579 50 0 CFAARO Cc1nc([C@H]2CCC[NH2+]C2)n(-c2cccc(C)c2C)n1 ZINC000825292208 782007843 /nfs/dbraw/zinc/00/78/43/782007843.db2.gz YAZLQCHQYIBKOA-AWEZNQCLSA-N 1 0 270.380 2.660 50 0 CFAARO Cc1ccccc1C1CC([NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000367246561 156302639 /nfs/dbraw/zinc/30/26/39/156302639.db2.gz NAOYHHALRGULFN-XUJLQICISA-N 1 0 286.419 2.888 50 0 CFAARO COCc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000339086806 161579282 /nfs/dbraw/zinc/57/92/82/161579282.db2.gz YWQGCLVEEJHZFW-CJNGLKHVSA-N 1 0 263.381 2.738 50 0 CFAARO CC(C)c1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000002510432 169797564 /nfs/dbraw/zinc/79/75/64/169797564.db2.gz FXQBDTOYQSXFQF-UHFFFAOYSA-N 1 0 276.424 2.622 50 0 CFAARO C[NH+](C)C[C@H]1CCCC[C@@]1(O)c1cccc(Cl)n1 ZINC000002529359 169803396 /nfs/dbraw/zinc/80/33/96/169803396.db2.gz ZPJVABJQJKDWFQ-RISCZKNCSA-N 1 0 268.788 2.674 50 0 CFAARO CCc1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2)c1 ZINC000002651425 169818455 /nfs/dbraw/zinc/81/84/55/169818455.db2.gz VGGNTDYZDHTDTG-SFHVURJKSA-N 1 0 299.414 2.821 50 0 CFAARO C[NH+](C)CCCNC(=O)c1c(Cl)cccc1Cl ZINC000002932232 169844766 /nfs/dbraw/zinc/84/47/66/169844766.db2.gz LGFQYTQJYHEYMM-UHFFFAOYSA-N 1 0 275.179 2.675 50 0 CFAARO CC[NH+](CC)CCCNc1c(N)c(=O)oc2ccccc21 ZINC000002990548 169847635 /nfs/dbraw/zinc/84/76/35/169847635.db2.gz POZKNPXOAPJJHP-UHFFFAOYSA-N 1 0 289.379 2.519 50 0 CFAARO O=[N+](c1cnn2ccccc12)c1cnn2ccccc12 ZINC000003852569 169917410 /nfs/dbraw/zinc/91/74/10/169917410.db2.gz MIKKZUFKTZDVOR-UHFFFAOYSA-N 1 0 264.268 2.583 50 0 CFAARO [NH3+]CCSCc1ccc(Br)s1 ZINC000004206185 169944312 /nfs/dbraw/zinc/94/43/12/169944312.db2.gz KRZFYDVQBUKAOI-UHFFFAOYSA-N 1 0 252.202 2.703 50 0 CFAARO CCCCC[NH2+]CC(=O)N1CCc2ccccc2[C@H]1C ZINC000004379086 169963349 /nfs/dbraw/zinc/96/33/49/169963349.db2.gz YJIRNIXNEQDSMK-CQSZACIVSA-N 1 0 274.408 2.912 50 0 CFAARO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCCC1 ZINC000004745237 170010623 /nfs/dbraw/zinc/01/06/23/170010623.db2.gz POWDRGBDVHKSNW-OAHLLOKOSA-N 1 0 290.382 2.660 50 0 CFAARO O[C@@H](COc1cccc2ccccc21)C[NH+]1CCCC1 ZINC000004819739 170022423 /nfs/dbraw/zinc/02/24/23/170022423.db2.gz DAUPQTWASFZPMJ-OAHLLOKOSA-N 1 0 271.360 2.675 50 0 CFAARO CCOc1cc(C[NH3+])cc(Br)c1OCC ZINC000004858128 170031808 /nfs/dbraw/zinc/03/18/08/170031808.db2.gz XCDLHBFYXQXZPY-UHFFFAOYSA-N 1 0 274.158 2.705 50 0 CFAARO Brc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000004914958 170040324 /nfs/dbraw/zinc/04/03/24/170040324.db2.gz JRWOJNDXXAKMTK-SNVBAGLBSA-N 1 0 294.152 2.924 50 0 CFAARO OCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942962 170043675 /nfs/dbraw/zinc/04/36/75/170043675.db2.gz ZFGINNIXHCJNDY-UHFFFAOYSA-N 1 0 269.703 2.821 50 0 CFAARO COc1ccc(C[NH+]2CCCCC2)c(OC)c1OC ZINC000004987641 170049616 /nfs/dbraw/zinc/04/96/16/170049616.db2.gz RLBOGMKMOGHZTB-UHFFFAOYSA-N 1 0 265.353 2.698 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000004990116 170050541 /nfs/dbraw/zinc/05/05/41/170050541.db2.gz WESJJGPPALBMLG-UHFFFAOYSA-N 1 0 291.391 2.860 50 0 CFAARO O[C@@H](C[NH2+]C1CCCC1)COc1ccc(Cl)cc1 ZINC000005050813 170061150 /nfs/dbraw/zinc/06/11/50/170061150.db2.gz XRBSUFANRDQJGJ-ZDUSSCGKSA-N 1 0 269.772 2.612 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCCC2)c1 ZINC000005050316 170061306 /nfs/dbraw/zinc/06/13/06/170061306.db2.gz KCOMMXRZITWHOL-HNNXBMFYSA-N 1 0 263.381 2.575 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH2+]C2CCCC2)ccc1Cl ZINC000005068233 170063470 /nfs/dbraw/zinc/06/34/70/170063470.db2.gz BXKRGPDLUHCJMW-ZDUSSCGKSA-N 1 0 283.799 2.920 50 0 CFAARO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1 ZINC000005171583 170073307 /nfs/dbraw/zinc/07/33/07/170073307.db2.gz RXEDPFOIQRFAIZ-HOCLYGCPSA-N 1 0 271.360 2.777 50 0 CFAARO CC1CC[NH+](C[C@@H](O)c2c[nH]c3ccccc23)CC1 ZINC000005184416 170075093 /nfs/dbraw/zinc/07/50/93/170075093.db2.gz HOSVVVGRZCIEPJ-MRXNPFEDSA-N 1 0 258.365 2.933 50 0 CFAARO NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000005731419 170135004 /nfs/dbraw/zinc/13/50/04/170135004.db2.gz OVXHCXQXXLLNRL-MSOLQXFVSA-N 1 0 294.398 2.778 50 0 CFAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000005925739 170156387 /nfs/dbraw/zinc/15/63/87/170156387.db2.gz ZKGULYSCOAAHEI-GFCCVEGCSA-N 1 0 271.788 2.776 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCc2ccccc2F)C1 ZINC000006008121 170167678 /nfs/dbraw/zinc/16/76/78/170167678.db2.gz SPIIONDFFFARTK-IJEWVQPXSA-N 1 0 295.398 2.681 50 0 CFAARO C[NH+](C)C[C@@H]1CCCC[C@]1(O)c1cccc(Cl)n1 ZINC000006169226 170180428 /nfs/dbraw/zinc/18/04/28/170180428.db2.gz ZPJVABJQJKDWFQ-SMDDNHRTSA-N 1 0 268.788 2.674 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Cc2cccc(C)c2)CC1 ZINC000006730941 170235203 /nfs/dbraw/zinc/23/52/03/170235203.db2.gz UQHCJVGAJDMMSD-UHFFFAOYSA-N 1 0 274.408 2.528 50 0 CFAARO CC(C)CNC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000008126995 170319923 /nfs/dbraw/zinc/31/99/23/170319923.db2.gz OQCMPBRPYLGKRN-MRXNPFEDSA-N 1 0 274.408 2.768 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[NH+](C(C)C)C(C)C ZINC000008572885 170341575 /nfs/dbraw/zinc/34/15/75/170341575.db2.gz WFAUKGCPZNLFRI-OAHLLOKOSA-N 1 0 265.397 2.854 50 0 CFAARO CCOc1ccc2[nH]c(C)c(C[NH+](C)C)c(=O)c2c1 ZINC000008578958 170341929 /nfs/dbraw/zinc/34/19/29/170341929.db2.gz YQORSFPPGHJQDF-UHFFFAOYSA-N 1 0 260.337 2.709 50 0 CFAARO COc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000008844754 170357288 /nfs/dbraw/zinc/35/72/88/170357288.db2.gz XMINUIDWVAVVHB-HNNXBMFYSA-N 1 0 293.407 2.699 50 0 CFAARO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C(C)(C)C ZINC000009577938 170381494 /nfs/dbraw/zinc/38/14/94/170381494.db2.gz MZCQHGIMUQEDOX-UHFFFAOYSA-N 1 0 254.761 2.975 50 0 CFAARO Cc1c(Cl)cccc1NC(=O)C[NH2+]C(C)(C)C ZINC000009577643 170381741 /nfs/dbraw/zinc/38/17/41/170381741.db2.gz HKVDDMFZXHPAIM-UHFFFAOYSA-N 1 0 254.761 2.975 50 0 CFAARO CC[NH+](CC)CCCNC(=O)CSc1ccc(C)cc1 ZINC000009720553 170384822 /nfs/dbraw/zinc/38/48/22/170384822.db2.gz JNCQSQNADLQHST-UHFFFAOYSA-N 1 0 294.464 2.935 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccnc2)cc1 ZINC000010003185 170394844 /nfs/dbraw/zinc/39/48/44/170394844.db2.gz VJZVLJYFAGFJPV-UHFFFAOYSA-N 1 0 282.322 2.901 50 0 CFAARO CCOC(=O)c1sc(NC(=O)C[NH+](CC)CC)cc1C ZINC000010131028 170398534 /nfs/dbraw/zinc/39/85/34/170398534.db2.gz JEUUYMSHOWJSQJ-UHFFFAOYSA-N 1 0 298.408 2.514 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)o1 ZINC000284393795 196046236 /nfs/dbraw/zinc/04/62/36/196046236.db2.gz AHZVOMWCZIZQAB-LSDHHAIUSA-N 1 0 258.321 2.603 50 0 CFAARO CC[NH+]1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC000016604483 170704452 /nfs/dbraw/zinc/70/44/52/170704452.db2.gz BKIACEBYXBDJTN-UHFFFAOYSA-N 1 0 266.429 2.947 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1cc2c(s1)CCCC2 ZINC000016604804 170704679 /nfs/dbraw/zinc/70/46/79/170704679.db2.gz OYTGCZXIKASLDR-UHFFFAOYSA-N 1 0 292.448 2.843 50 0 CFAARO Cc1cc(OCCCN2CC[NH2+]CC2)cc(C(C)C)c1 ZINC000020272564 171127665 /nfs/dbraw/zinc/12/76/65/171127665.db2.gz DAJHGUFRPFYRJL-UHFFFAOYSA-N 1 0 276.424 2.793 50 0 CFAARO Brc1ccccc1OC1CC[NH2+]CC1 ZINC000020399675 171181891 /nfs/dbraw/zinc/18/18/91/171181891.db2.gz UIMMTLBEKPSEGH-UHFFFAOYSA-N 1 0 256.143 2.580 50 0 in-vitro CFAARO CCOC(=O)C[C@H]([NH2+]Cc1ccncc1)c1cccs1 ZINC000020664976 171269388 /nfs/dbraw/zinc/26/93/88/171269388.db2.gz MFRHNRWVJXZCFB-ZDUSSCGKSA-N 1 0 290.388 2.927 50 0 CFAARO C[NH+]1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020653522 171269416 /nfs/dbraw/zinc/26/94/16/171269416.db2.gz WDDRFQPBKOXRKC-UHFFFAOYSA-N 1 0 296.414 2.980 50 0 CFAARO COCCC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000020927807 171280214 /nfs/dbraw/zinc/28/02/14/171280214.db2.gz UZZXCYNPMYITKU-UHFFFAOYSA-N 1 0 288.185 2.584 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+]CCN(C)C ZINC000020967789 171282606 /nfs/dbraw/zinc/28/26/06/171282606.db2.gz XDZVTMPSYHAJBM-UHFFFAOYSA-N 1 0 270.804 2.780 50 0 CFAARO Cc1noc2ncnc(NCC[N@@H+](C)C3CCCCC3)c12 ZINC000021714716 171319685 /nfs/dbraw/zinc/31/96/85/171319685.db2.gz QWKYXPTTXOTKLG-UHFFFAOYSA-N 1 0 289.383 2.603 50 0 CFAARO C[C@@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000021962397 171342932 /nfs/dbraw/zinc/34/29/32/171342932.db2.gz HJTYVCUEBHPCTL-CZUORRHYSA-N 1 0 272.392 2.555 50 0 CFAARO CC(C)OC(=O)[C@@H]1CC[NH2+][C@H]1c1ccccc1Cl ZINC000022204775 171372620 /nfs/dbraw/zinc/37/26/20/171372620.db2.gz MHTYOLYFVGHNQI-YPMHNXCESA-N 1 0 267.756 2.942 50 0 CFAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(C)CC1 ZINC000022455183 171388105 /nfs/dbraw/zinc/38/81/05/171388105.db2.gz ACGFNPWIRRMPMD-GFCCVEGCSA-N 1 0 286.341 2.884 50 0 CFAARO CC[NH+](CC)CCN(C)Cc1ccc(F)c(F)c1 ZINC000022455688 171388225 /nfs/dbraw/zinc/38/82/25/171388225.db2.gz JPDTZCNASCEACZ-UHFFFAOYSA-N 1 0 256.340 2.738 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000657691476 413856855 /nfs/dbraw/zinc/85/68/55/413856855.db2.gz SHAQRQWUDKEQPP-KBPBESRZSA-N 1 0 290.436 2.686 50 0 CFAARO CC1(C)[C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000658015666 414104958 /nfs/dbraw/zinc/10/49/58/414104958.db2.gz STPARFYNLSCYDB-LVQVYYBASA-N 1 0 274.408 2.572 50 0 CFAARO Brc1ccccc1NC1CC[NH2+]CC1 ZINC000038040573 174040892 /nfs/dbraw/zinc/04/08/92/174040892.db2.gz HDWMQKPYFRHDJN-UHFFFAOYSA-N 1 0 255.159 2.613 50 0 CFAARO CC1CC[NH+](CCNC(=O)c2ccc(Cl)cc2F)CC1 ZINC000040108067 174192371 /nfs/dbraw/zinc/19/23/71/174192371.db2.gz DVEVWASIJMVADZ-UHFFFAOYSA-N 1 0 298.789 2.941 50 0 CFAARO COc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000040145623 174194891 /nfs/dbraw/zinc/19/48/91/174194891.db2.gz HDHYMVQADYZCMZ-ZDUSSCGKSA-N 1 0 291.395 2.691 50 0 CFAARO CCn1c2ccccc2c2cc(NC(=O)C[NH3+])ccc21 ZINC000040414636 174255518 /nfs/dbraw/zinc/25/55/18/174255518.db2.gz LOVAFDARHQJSJN-UHFFFAOYSA-N 1 0 267.332 2.712 50 0 CFAARO Cc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000040525315 174313194 /nfs/dbraw/zinc/31/31/94/174313194.db2.gz IFMIUNJLUCPAJR-ZDUSSCGKSA-N 1 0 273.380 2.601 50 0 CFAARO COc1cc(Cl)cc(C[NH2+]CCCCCO)c1OC ZINC000040722161 174385294 /nfs/dbraw/zinc/38/52/94/174385294.db2.gz BNACUGPVSDUDQZ-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO Brc1ccc(COC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773891 174872464 /nfs/dbraw/zinc/87/24/64/174872464.db2.gz MDVGTMKIMIOJOK-LLVKDONJSA-N 1 0 270.170 2.575 50 0 CFAARO CC(C)c1nc(CC(=O)NC[C@H](C(C)C)[NH+](C)C)cs1 ZINC000042879359 174901772 /nfs/dbraw/zinc/90/17/72/174901772.db2.gz ZPOMZALGOAKOHE-CYBMUJFWSA-N 1 0 297.468 2.511 50 0 CFAARO Cc1ccc(C[N@H+](CCC(=O)NC2CC2)C2CC2)cc1 ZINC000045783886 175383576 /nfs/dbraw/zinc/38/35/76/175383576.db2.gz ZKHQEHNCWQKODH-UHFFFAOYSA-N 1 0 272.392 2.628 50 0 CFAARO COc1cccc(C[NH2+]CCCOc2ccccn2)c1 ZINC000045945453 175387712 /nfs/dbraw/zinc/38/77/12/175387712.db2.gz LAYTVARBATWEGZ-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946168 175387844 /nfs/dbraw/zinc/38/78/44/175387844.db2.gz KOUONDLZJSAEFK-OAHLLOKOSA-N 1 0 271.408 2.752 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccn1)c1ccsc1 ZINC000046346814 175396016 /nfs/dbraw/zinc/39/60/16/175396016.db2.gz SEYJXOHZHABJJY-GFCCVEGCSA-N 1 0 290.392 2.568 50 0 CFAARO [NH3+]CCc1cc(N[C@@H](c2ccco2)c2ccccc2)ncn1 ZINC000067695220 175785395 /nfs/dbraw/zinc/78/53/95/175785395.db2.gz TVQKOHFQDIKCNJ-QGZVFWFLSA-N 1 0 294.358 2.772 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]C/C=C/c2ccccc2)c1 ZINC000069521042 175836790 /nfs/dbraw/zinc/83/67/90/175836790.db2.gz OOAQVSQVWCCICJ-PPYMECGQSA-N 1 0 255.365 2.883 50 0 CFAARO CC(C)(C)[C@H]([NH2+]C[C@@H](O)Cn1cccn1)c1cccs1 ZINC000070012368 175867798 /nfs/dbraw/zinc/86/77/98/175867798.db2.gz QHXZBOXQIJTDOY-TZMCWYRMSA-N 1 0 293.436 2.683 50 0 CFAARO c1ccc(CN2CCC[C@@H]([NH+]3CCCCCC3)C2)nc1 ZINC000070040435 175869476 /nfs/dbraw/zinc/86/94/76/175869476.db2.gz CCYQPNNEVJAIBX-QGZVFWFLSA-N 1 0 273.424 2.922 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)cc1OC ZINC000070326415 175887675 /nfs/dbraw/zinc/88/76/75/175887675.db2.gz TZYJQZPMUZZHBD-KGLIPLIRSA-N 1 0 279.380 2.751 50 0 CFAARO Cn1nc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)c2ccccc21 ZINC000071278872 176108140 /nfs/dbraw/zinc/10/81/40/176108140.db2.gz KPNCPUHUIIXEGC-GFCCVEGCSA-N 1 0 297.333 2.642 50 0 CFAARO c1cc(C2CCCC2)nc(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000071416211 176160432 /nfs/dbraw/zinc/16/04/32/176160432.db2.gz FOBHFAOFYYRMPW-OAHLLOKOSA-N 1 0 272.396 2.640 50 0 CFAARO CCC(CC)CC(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000071761071 176261390 /nfs/dbraw/zinc/26/13/90/176261390.db2.gz QSLCGVUICZLQOV-CYBMUJFWSA-N 1 0 266.429 2.898 50 0 CFAARO Fc1cccc(-c2nnc([C@@H]3CC34CC[NH2+]CC4)o2)c1 ZINC000071790937 176262905 /nfs/dbraw/zinc/26/29/05/176262905.db2.gz GKVBPLKCFVSHCL-LBPRGKRZSA-N 1 0 273.311 2.733 50 0 CFAARO O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071808792 176267838 /nfs/dbraw/zinc/26/78/38/176267838.db2.gz QARMXEHBSFVJST-HNNXBMFYSA-N 1 0 297.402 2.868 50 0 CFAARO Cc1cc(NC[C@@H]2CCCO[C@H]2c2ccccc2)nc(N)[nH+]1 ZINC000071828009 176272624 /nfs/dbraw/zinc/27/26/24/176272624.db2.gz RXQUMCNZRROBRU-HOCLYGCPSA-N 1 0 298.390 2.947 50 0 CFAARO C[NH+]1CCC(CC(=O)NCCSC2CCCCC2)CC1 ZINC000072117632 176319045 /nfs/dbraw/zinc/31/90/45/176319045.db2.gz REYQMCVQSDUGKL-UHFFFAOYSA-N 1 0 298.496 2.900 50 0 CFAARO O=C1NC[C@]2(CCC[N@H+](C/C=C/c3ccccc3)CC2)O1 ZINC000072156696 176328875 /nfs/dbraw/zinc/32/88/75/176328875.db2.gz QKSISHXWYAVMTL-IOMDMTNGSA-N 1 0 286.375 2.664 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](C)C2)C1 ZINC000072274366 176355795 /nfs/dbraw/zinc/35/57/95/176355795.db2.gz SYJUHBGPAAYFTM-HUUCEWRRSA-N 1 0 281.444 2.548 50 0 CFAARO CC[NH+](CC)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000072285828 176360048 /nfs/dbraw/zinc/36/00/48/176360048.db2.gz GOMDXRXFYWGUSN-LBPRGKRZSA-N 1 0 281.425 2.539 50 0 CFAARO CC[C@H](CO)N1CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC000072304955 176365782 /nfs/dbraw/zinc/36/57/82/176365782.db2.gz UMWPNUHHAFMJTM-IAGOWNOFSA-N 1 0 276.424 2.526 50 0 CFAARO CC[C@@H](CO)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000072304952 176365978 /nfs/dbraw/zinc/36/59/78/176365978.db2.gz UMWPNUHHAFMJTM-IRXDYDNUSA-N 1 0 276.424 2.526 50 0 CFAARO COc1ccccc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000072306046 176366520 /nfs/dbraw/zinc/36/65/20/176366520.db2.gz OEPBXKJXZUZIGU-LBPRGKRZSA-N 1 0 293.411 2.793 50 0 CFAARO Cc1ccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)o1 ZINC000078552783 177353406 /nfs/dbraw/zinc/35/34/06/177353406.db2.gz SEUZGWCCLJNKEK-UHFFFAOYSA-N 1 0 291.322 2.926 50 0 CFAARO CCNC(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000078604469 177359493 /nfs/dbraw/zinc/35/94/93/177359493.db2.gz SJAMAGXZFSULGI-UHFFFAOYSA-N 1 0 289.423 2.526 50 0 CFAARO C[NH+](C)Cc1cc(CNC(=O)c2ccsc2)ccc1F ZINC000078735127 177379073 /nfs/dbraw/zinc/37/90/73/177379073.db2.gz IUDJGIGBBITQDI-UHFFFAOYSA-N 1 0 292.379 2.879 50 0 CFAARO CC(C)OCCN1CCC[N@H+](Cc2cccs2)CC1 ZINC000048060249 420501196 /nfs/dbraw/zinc/50/11/96/420501196.db2.gz DCMHGRPQGYNXCT-UHFFFAOYSA-N 1 0 282.453 2.681 50 0 CFAARO CCC[C@H](O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000036102879 260153922 /nfs/dbraw/zinc/15/39/22/260153922.db2.gz OYTYZLSRPQUSMO-HNNXBMFYSA-N 1 0 263.381 2.821 50 0 CFAARO O[C@@H](C(c1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000077028719 260295691 /nfs/dbraw/zinc/29/56/91/260295691.db2.gz VSYNDOLFWJVQNK-SJLPKXTDSA-N 1 0 267.372 2.931 50 0 CFAARO COC[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000012383425 274042200 /nfs/dbraw/zinc/04/22/00/274042200.db2.gz LPVYQFOPBZVATJ-CHWSQXEVSA-N 1 0 251.370 2.641 50 0 CFAARO COc1cc(-c2nc3c([nH]2)C[NH2+]CC3)cc(C(F)(F)F)c1 ZINC000095388735 274090642 /nfs/dbraw/zinc/09/06/42/274090642.db2.gz BHPLXFQWZOHIPR-UHFFFAOYSA-N 1 0 297.280 2.750 50 0 CFAARO COc1cccc(-c2nc3ccccc3c(NN)[nH+]2)c1 ZINC000047218864 274144439 /nfs/dbraw/zinc/14/44/39/274144439.db2.gz GDRYGKCULUVAAE-UHFFFAOYSA-N 1 0 266.304 2.591 50 0 CFAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000058390803 274205218 /nfs/dbraw/zinc/20/52/18/274205218.db2.gz SWXQSJBSIVRICS-SUMWQHHRSA-N 1 0 286.419 2.911 50 0 CFAARO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)[C@H](C)n1cccn1 ZINC000069372007 274253032 /nfs/dbraw/zinc/25/30/32/274253032.db2.gz OILHUZGWZSVGEE-CABCVRRESA-N 1 0 295.390 2.808 50 0 CFAARO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1Cl ZINC000135221376 274677788 /nfs/dbraw/zinc/67/77/88/274677788.db2.gz PRNCSMPDMJCPTE-GFCCVEGCSA-N 1 0 266.772 2.602 50 0 CFAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCO ZINC000001795534 274764793 /nfs/dbraw/zinc/76/47/93/274764793.db2.gz BDMJVEISXIFETC-OAHLLOKOSA-N 1 0 258.365 2.826 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)c1ccncc1)CCC2 ZINC000095402203 274824286 /nfs/dbraw/zinc/82/42/86/274824286.db2.gz KEAKJMULJFTVFV-UKRRQHHQSA-N 1 0 270.380 2.815 50 0 CFAARO c1cc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2s1 ZINC000106824166 275066250 /nfs/dbraw/zinc/06/62/50/275066250.db2.gz YZXNKGLPNWHMAO-PWSUYJOCSA-N 1 0 274.393 2.730 50 0 CFAARO CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000000214172 275448272 /nfs/dbraw/zinc/44/82/72/275448272.db2.gz OMTMKINFKHOSIC-QGZVFWFLSA-N 1 0 272.392 2.665 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1=O ZINC000127932187 275956887 /nfs/dbraw/zinc/95/68/87/275956887.db2.gz BXCBFHSMDCOBIK-TUAOUCFPSA-N 1 0 292.345 2.706 50 0 CFAARO CC(C)c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000000206951 276055190 /nfs/dbraw/zinc/05/51/90/276055190.db2.gz HAJBFEHBXHROOF-OAHLLOKOSA-N 1 0 263.381 2.646 50 0 CFAARO C=C1[NH+]=C(SC)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000000207184 276273986 /nfs/dbraw/zinc/27/39/86/276273986.db2.gz ZRIJBDYKPYJEGF-ZDUSSCGKSA-N 1 0 290.388 2.887 50 0 CFAARO CC[NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000031933682 276421643 /nfs/dbraw/zinc/42/16/43/276421643.db2.gz KACVAQBDUWYRCO-UHFFFAOYSA-N 1 0 285.372 2.761 50 0 CFAARO C[NH2+]CCCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000237145834 277021633 /nfs/dbraw/zinc/02/16/33/277021633.db2.gz NQAIEWPECYTLGM-CABCVRRESA-N 1 0 274.408 2.699 50 0 CFAARO CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1 ZINC000019632917 277262868 /nfs/dbraw/zinc/26/28/68/277262868.db2.gz ANTSCNMPPGJYLG-UHFFFAOYSA-N 1 0 299.761 2.951 50 0 fda CFAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000043044191 277385221 /nfs/dbraw/zinc/38/52/21/277385221.db2.gz CQWVBIASWONDMV-ZBFHGGJFSA-N 1 0 295.471 2.985 50 0 CFAARO C[C@@H]1CN(c2ccccc2C[NH2+]C2CC2)C[C@@H](C)O1 ZINC000034823270 277918020 /nfs/dbraw/zinc/91/80/20/277918020.db2.gz FJHCSZVTMARRAT-CHWSQXEVSA-N 1 0 260.381 2.552 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000000128078 277929530 /nfs/dbraw/zinc/92/95/30/277929530.db2.gz HMKDPQCXNBOIEW-SFHVURJKSA-N 1 0 299.370 2.948 50 0 CFAARO CSCc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000237384778 278140490 /nfs/dbraw/zinc/14/04/90/278140490.db2.gz LLDPZNNMCWFVLO-CQSZACIVSA-N 1 0 278.421 2.503 50 0 CFAARO CC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)CC1(C)C ZINC000000097856 278221518 /nfs/dbraw/zinc/22/15/18/278221518.db2.gz PKHXKOWXJNZTIG-MRXNPFEDSA-N 1 0 261.365 2.807 50 0 CFAARO CC(=O)c1c(F)cccc1NCC1([NH+](C)C)CCOCC1 ZINC000072947508 278241455 /nfs/dbraw/zinc/24/14/55/278241455.db2.gz SSGYACJQVSMELG-UHFFFAOYSA-N 1 0 294.370 2.551 50 0 CFAARO C[C@@H]([NH3+])CC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000261867812 278305512 /nfs/dbraw/zinc/30/55/12/278305512.db2.gz QIAISWIVAQWDLD-RDTXWAMCSA-N 1 0 286.419 2.620 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000186803662 278311579 /nfs/dbraw/zinc/31/15/79/278311579.db2.gz URLDGLUOTOXKON-BZZMCLGOSA-N 1 0 288.435 2.715 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(F)c1Cl ZINC000156482745 278317040 /nfs/dbraw/zinc/31/70/40/278317040.db2.gz FFNZZTWKSUYEQS-BXKDBHETSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@@H]([NH3+])c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000036872344 278319241 /nfs/dbraw/zinc/31/92/41/278319241.db2.gz BBVLMJNZGIDONQ-SSDOTTSWSA-N 1 0 266.142 2.859 50 0 CFAARO C[C@@H]1CCN(C(=O)CSC(N)=[NH2+])c2ccccc2S1 ZINC000029335271 278531131 /nfs/dbraw/zinc/53/11/31/278531131.db2.gz WHFJLDFKPIMIQG-SECBINFHSA-N 1 0 295.433 2.531 50 0 CFAARO Cc1csc(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)n1 ZINC000095991158 279040842 /nfs/dbraw/zinc/04/08/42/279040842.db2.gz CUBYKWXRDATUKP-QRJNDHJOSA-N 1 0 296.436 2.863 50 0 CFAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000071836813 279241889 /nfs/dbraw/zinc/24/18/89/279241889.db2.gz ZJXQGAXXZOVGMP-BMFZPTHFSA-N 1 0 278.440 2.898 50 0 CFAARO C[C@H](C1CCN(c2ccncc2F)CC1)[NH+]1CCCC1 ZINC000095523728 279243624 /nfs/dbraw/zinc/24/36/24/279243624.db2.gz CNHHYBULFVDCSX-CYBMUJFWSA-N 1 0 277.387 2.921 50 0 CFAARO C[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)[S@](C)=O ZINC000097033449 279352785 /nfs/dbraw/zinc/35/27/85/279352785.db2.gz XYRBNYANTRFYAO-FWVNDXEPSA-N 1 0 269.385 2.560 50 0 CFAARO C[C@H](Cc1ccccc1F)[NH2+]C1CCC(O)CC1 ZINC000000216727 279381574 /nfs/dbraw/zinc/38/15/74/279381574.db2.gz SBLKPLDMCRTSKP-LMWSTFAQSA-N 1 0 251.345 2.650 50 0 CFAARO Fc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1Br ZINC000036047746 279464441 /nfs/dbraw/zinc/46/44/41/279464441.db2.gz RNEIPFFKULXWEP-NSHDSACASA-N 1 0 296.143 2.546 50 0 CFAARO O=C(Cc1ccsc1)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000020858574 279800884 /nfs/dbraw/zinc/80/08/84/279800884.db2.gz IYLUHQGKNZKGGN-OAHLLOKOSA-N 1 0 292.448 2.625 50 0 CFAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)ccc1Cl ZINC000092077014 280344701 /nfs/dbraw/zinc/34/47/01/280344701.db2.gz GDBAYCLVLWMUII-GXTWGEPZSA-N 1 0 292.810 2.815 50 0 CFAARO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(Cl)o2)cn1 ZINC000089755302 280564509 /nfs/dbraw/zinc/56/45/09/280564509.db2.gz NZCCUSQVWCTTST-IINYFYTJSA-N 1 0 295.770 2.534 50 0 CFAARO CC[C@@H]1c2ccccc2CCN1C(=O)CC1([NH3+])CCC1 ZINC000158704021 280608133 /nfs/dbraw/zinc/60/81/33/280608133.db2.gz XIWOTEUSLFUCBS-OAHLLOKOSA-N 1 0 272.392 2.794 50 0 CFAARO Cc1cccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1C ZINC000063192679 281189856 /nfs/dbraw/zinc/18/98/56/281189856.db2.gz JZSWDWIRWOPOFE-ZFWWWQNUSA-N 1 0 260.381 2.645 50 0 CFAARO Cc1ccccc1[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000071792451 281393261 /nfs/dbraw/zinc/39/32/61/281393261.db2.gz WMIYRBTWSDFWHO-AWEZNQCLSA-N 1 0 255.365 2.718 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CC2([NH3+])CCC2)C1 ZINC000237578935 292660939 /nfs/dbraw/zinc/66/09/39/292660939.db2.gz NPNSGIRSSHBXDU-HUUCEWRRSA-N 1 0 286.419 2.971 50 0 CFAARO C[C@H](C(=O)N(C)CCC(F)(F)F)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000110698275 289251239 /nfs/dbraw/zinc/25/12/39/289251239.db2.gz HBDFAKOPWKXXOL-OUAUKWLOSA-N 1 0 280.334 2.659 50 0 CFAARO O=C1N(C2CC[NH2+]CC2)[C@H](c2ccccc2)C12CCCC2 ZINC000169676540 304652633 /nfs/dbraw/zinc/65/26/33/304652633.db2.gz HZJLBALZWIAQMK-MRXNPFEDSA-N 1 0 284.403 2.882 50 0 CFAARO c1ccc(-n2nnnc2C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000022436220 304853924 /nfs/dbraw/zinc/85/39/24/304853924.db2.gz AKDHLGQFRAQUGT-UHFFFAOYSA-N 1 0 297.406 2.918 50 0 CFAARO CCC[C@@H](CNC(=O)c1sccc1Cl)[NH+](C)C ZINC000534574518 328309592 /nfs/dbraw/zinc/30/95/92/328309592.db2.gz BVMYREIBDYAVPT-VIFPVBQESA-N 1 0 274.817 2.862 50 0 CFAARO CCC[N@@H+]1CC[C@@H](CNc2nnc(C)c3ccccc32)C1 ZINC000534592661 328318748 /nfs/dbraw/zinc/31/87/48/328318748.db2.gz UCTHJVXFFYKJQK-AWEZNQCLSA-N 1 0 284.407 2.504 50 0 CFAARO c1sc(-c2ccncc2)nc1CC[NH2+][C@H]1CCCOC1 ZINC000534629989 328328511 /nfs/dbraw/zinc/32/85/11/328328511.db2.gz UEMWOFXIYJPLCL-ZDUSSCGKSA-N 1 0 289.404 2.516 50 0 CFAARO COc1cccc(-c2cc(C[NH2+][C@@H]3CCCOC3)no2)c1 ZINC000534645468 328330481 /nfs/dbraw/zinc/33/04/81/328330481.db2.gz ZKNVKQNQAKNHOK-CYBMUJFWSA-N 1 0 288.347 2.619 50 0 CFAARO Cc1cc(C(F)(F)F)cc(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000534645946 328331863 /nfs/dbraw/zinc/33/18/63/328331863.db2.gz QTTGVNZQUVIMSU-LLVKDONJSA-N 1 0 287.329 2.974 50 0 CFAARO O=C(C1CCCC1)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000534634219 328333008 /nfs/dbraw/zinc/33/30/08/328333008.db2.gz RXSUESSUKIAEMN-OAHLLOKOSA-N 1 0 296.480 2.653 50 0 CFAARO Cc1ccc(-c2cc(C[NH2+]C3CCOCC3)no2)cc1 ZINC000534639218 328334928 /nfs/dbraw/zinc/33/49/28/328334928.db2.gz AIRURZUZOGCGAQ-UHFFFAOYSA-N 1 0 272.348 2.919 50 0 CFAARO c1ccc(OCC2(C[NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000534659606 328342296 /nfs/dbraw/zinc/34/22/96/328342296.db2.gz LJGBOKDBHRYMPG-CYBMUJFWSA-N 1 0 263.406 2.941 50 0 CFAARO C[NH+](C)C1(CNC(=O)C[C@@H]2CC2(F)F)CCCCCC1 ZINC000534660445 328339156 /nfs/dbraw/zinc/33/91/56/328339156.db2.gz NARCAVPWEZWXBZ-GFCCVEGCSA-N 1 0 288.382 2.803 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000168975884 322389754 /nfs/dbraw/zinc/38/97/54/322389754.db2.gz UFUQTMKCEBQASY-YUTCNCBUSA-N 1 0 278.421 2.889 50 0 CFAARO Clc1cccc(N2CC[C@@H](C[NH2+]C3CCOCC3)C2)c1 ZINC000534676955 328352104 /nfs/dbraw/zinc/35/21/04/328352104.db2.gz NUJWMKWMYDPTDY-ZDUSSCGKSA-N 1 0 294.826 2.935 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(CCO)CCOC1)[C@@H](C)C2 ZINC000180776547 323790996 /nfs/dbraw/zinc/79/09/96/323790996.db2.gz VZBQTWKQEBDVAN-QGTPRVQTSA-N 1 0 289.419 2.607 50 0 CFAARO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000192720871 324064264 /nfs/dbraw/zinc/06/42/64/324064264.db2.gz DHYHMGVYMSSEIQ-UTUOFQBUSA-N 1 0 273.442 2.695 50 0 CFAARO C[N@H+](CCCc1ccc2c(c1)CCO2)C[C@H]1CCCO1 ZINC000193237276 324069995 /nfs/dbraw/zinc/06/99/95/324069995.db2.gz GACGVXJJNMGGLV-MRXNPFEDSA-N 1 0 275.392 2.665 50 0 CFAARO O=C(Nc1ccc(F)cc1F)C1CC[NH+](C2CC2)CC1 ZINC000195236130 324103348 /nfs/dbraw/zinc/10/33/48/324103348.db2.gz IWQVPDPSHAITNR-UHFFFAOYSA-N 1 0 280.318 2.778 50 0 CFAARO O=C(Nc1cc(F)ccc1F)C1CC[NH+](C2CC2)CC1 ZINC000195236507 324103625 /nfs/dbraw/zinc/10/36/25/324103625.db2.gz ZFCHUCADXFHSEA-UHFFFAOYSA-N 1 0 280.318 2.778 50 0 CFAARO Cc1ccncc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000581593761 325135111 /nfs/dbraw/zinc/13/51/11/325135111.db2.gz YLFNCIYAHNPTGY-UHFFFAOYSA-N 1 0 253.349 2.564 50 0 CFAARO Cc1nc2c(s1)[C@H](N(C)C[C@@]1(C)CC[NH2+]C1)CCC2 ZINC000261984104 501004077 /nfs/dbraw/zinc/00/40/77/501004077.db2.gz JMPLMMVYBMQNGC-HIFRSBDPSA-N 1 0 279.453 2.760 50 0 CFAARO Cc1cc2c(cccc2OC[C@H](O)C[NH2+]C(C)(C)C)[nH]1 ZINC000004060267 534069325 /nfs/dbraw/zinc/06/93/25/534069325.db2.gz BGQHPLYSXBZMQG-GFCCVEGCSA-N 1 0 276.380 2.604 50 0 in-vitro CFAARO FC(F)(F)Cn1cc(C[NH2+]C2Cc3ccccc3C2)cn1 ZINC000097017344 534397340 /nfs/dbraw/zinc/39/73/40/534397340.db2.gz BQVIQGBUEMXDRA-UHFFFAOYSA-N 1 0 295.308 2.702 50 0 CFAARO Cc1cccc(-c2ccc(C(=O)N[C@H]3CC[C@@H]([NH3+])C3)cc2)n1 ZINC000426722391 534548845 /nfs/dbraw/zinc/54/88/45/534548845.db2.gz GSXVNUKQMJZYKS-CVEARBPZSA-N 1 0 295.386 2.667 50 0 CFAARO CCSC[C@@H](C)[NH2+]CCc1nc2ccccc2[nH]1 ZINC000067872758 521716764 /nfs/dbraw/zinc/71/67/64/521716764.db2.gz PTWQQZKVARAWHR-LLVKDONJSA-N 1 0 263.410 2.837 50 0 CFAARO O=C(c1cc(F)ccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000096482555 534668650 /nfs/dbraw/zinc/66/86/50/534668650.db2.gz HNKKQHWQMZAGSN-UHFFFAOYSA-N 1 0 294.345 2.569 50 0 CFAARO C[C@@H]([NH2+]CCOc1cccnc1)c1ccc2c(c1)OCO2 ZINC000096477704 525456076 /nfs/dbraw/zinc/45/60/76/525456076.db2.gz KKYVMLCCJUZRPK-GFCCVEGCSA-N 1 0 286.331 2.540 50 0 CFAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089744492 526101250 /nfs/dbraw/zinc/10/12/50/526101250.db2.gz LOKQODIPCFPUJP-NWDGAFQWSA-N 1 0 280.799 2.859 50 0 CFAARO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000414664911 526782533 /nfs/dbraw/zinc/78/25/33/526782533.db2.gz DAPFALOOTVLCPW-AWEZNQCLSA-N 1 0 275.396 2.858 50 0 CFAARO [NH3+]Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000061098515 527253950 /nfs/dbraw/zinc/25/39/50/527253950.db2.gz OHFLPNIRJFCAGT-UHFFFAOYSA-N 1 0 280.249 2.815 50 0 CFAARO CCCn1cc(NC2CC[NH+](Cc3cccnc3)CC2)cn1 ZINC000096494888 528847910 /nfs/dbraw/zinc/84/79/10/528847910.db2.gz WMHZQYXWMIBFCA-UHFFFAOYSA-N 1 0 299.422 2.765 50 0 CFAARO CCOC(=O)N1CCC([NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000096494300 528958320 /nfs/dbraw/zinc/95/83/20/528958320.db2.gz LJZNGWIEZVAFTJ-HNNXBMFYSA-N 1 0 291.395 2.743 50 0 CFAARO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000236909035 567894565 /nfs/dbraw/zinc/89/45/65/567894565.db2.gz IACNNXRTEPOUFE-YGRLFVJLSA-N 1 0 280.799 2.598 50 0 CFAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1cnccc1Cl)CC2 ZINC000670452508 570400458 /nfs/dbraw/zinc/40/04/58/570400458.db2.gz YNXRZCFSEONFFO-ZFWWWQNUSA-N 1 0 280.799 2.862 50 0 CFAARO CCc1ccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)nc1 ZINC000952973029 615673850 /nfs/dbraw/zinc/67/38/50/615673850.db2.gz FJAKWTZWFUAANU-UHFFFAOYSA-N 1 0 282.347 2.516 50 0 CFAARO CC(C)[N@H+](C)CC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000049400099 617603286 /nfs/dbraw/zinc/60/32/86/617603286.db2.gz DTAYOBWVZVKGIX-UHFFFAOYSA-N 1 0 283.803 2.685 50 0 CFAARO Cc1ccc(C)c(N2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000023282864 618368221 /nfs/dbraw/zinc/36/82/21/618368221.db2.gz CMGQOEMGDYKWBL-UHFFFAOYSA-N 1 0 287.451 2.520 50 0 CFAARO CC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCC[N@@H+]2C)cs1 ZINC000019789587 618793068 /nfs/dbraw/zinc/79/30/68/618793068.db2.gz ADVHVSBIUUCWIU-ZDUSSCGKSA-N 1 0 294.420 2.507 50 0 CFAARO CCc1noc([C@@H](C)N[C@@H](C)Cc2ccc(C)cn2)n1 ZINC000020209019 618801240 /nfs/dbraw/zinc/80/12/40/618801240.db2.gz QKDKHIIQWPMDNY-NWDGAFQWSA-N 1 0 274.368 2.617 50 0 CFAARO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000004021716 618886496 /nfs/dbraw/zinc/88/64/96/618886496.db2.gz HOQCKIUZQZMDSN-KBPBESRZSA-N 1 0 252.402 2.566 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CC[C@H](c2ccnn2C)C1 ZINC000888094231 619130165 /nfs/dbraw/zinc/13/01/65/619130165.db2.gz XOEMZAREGJRMNE-RYUDHWBXSA-N 1 0 276.409 2.611 50 0 CFAARO Cc1nocc1[C@@H](C)[NH2+]CCn1c(C)nc2ccccc21 ZINC000888098676 619132539 /nfs/dbraw/zinc/13/25/39/619132539.db2.gz NXLINQRWVWBRHW-LLVKDONJSA-N 1 0 284.363 2.992 50 0 CFAARO O[C@H](CSc1ccccc1)C[NH+]1CCCCC1 ZINC000000210870 623601785 /nfs/dbraw/zinc/60/17/85/623601785.db2.gz WVGGBPHANFJFIU-ZDUSSCGKSA-N 1 0 251.395 2.626 50 0 CFAARO [NH3+][C@H](CNC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000152037203 623630826 /nfs/dbraw/zinc/63/08/26/623630826.db2.gz MMCRKNVPEOWIRZ-QGZVFWFLSA-N 1 0 280.371 2.605 50 0 CFAARO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)NCC1CCC1 ZINC000179678949 624972525 /nfs/dbraw/zinc/97/25/25/624972525.db2.gz GEEDESLPQQPJMJ-UHFFFAOYSA-N 1 0 292.810 2.835 50 0 CFAARO CC(C)CC(=O)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257183619 626012755 /nfs/dbraw/zinc/01/27/55/626012755.db2.gz RTUDQXXYSSNWTE-HNNXBMFYSA-N 1 0 266.429 2.757 50 0 CFAARO C/C=C(\C)C[N@H+]1CCC(=O)N(Cc2ccccc2C)CC1 ZINC000011967264 626223766 /nfs/dbraw/zinc/22/37/66/626223766.db2.gz IKIJKAQCMKGCNS-SYZQJQIISA-N 1 0 286.419 2.996 50 0 CFAARO CSCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011844463 626240994 /nfs/dbraw/zinc/24/09/94/626240994.db2.gz IFINZUWZEGHWHL-CQSZACIVSA-N 1 0 284.469 2.510 50 0 CFAARO COCc1cc(C[NH2+][C@@H](C)c2ccnn2C)ccc1F ZINC000192881906 650605304 /nfs/dbraw/zinc/60/53/04/650605304.db2.gz IOJMOTGARGXIOX-NSHDSACASA-N 1 0 277.343 2.556 50 0 CFAARO Cc1cccc(Cn2nc(CC(C)C)nc2CC2C[NH2+]C2)c1 ZINC000952968606 650790011 /nfs/dbraw/zinc/79/00/11/650790011.db2.gz KTCUZLUJTHNBKI-UHFFFAOYSA-N 1 0 298.434 2.595 50 0 CFAARO Cc1c2cc(C)ccc2oc1CN1C[C@@H](O)[C@H](F)C1 ZINC000952984459 650791625 /nfs/dbraw/zinc/79/16/25/650791625.db2.gz WAAUVWKKSNANNJ-CHWSQXEVSA-N 1 0 263.312 2.564 50 0 CFAARO Cn1nccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342142 650938409 /nfs/dbraw/zinc/93/84/09/650938409.db2.gz GSNSKEVCQCDFHQ-UHFFFAOYSA-N 1 0 299.418 2.849 50 0 CFAARO CCCOc1ccccc1C[N@@H+]1CC[C@H](COC)C1 ZINC000216029463 645987445 /nfs/dbraw/zinc/98/74/45/645987445.db2.gz AUBPPGSEGNCQEL-AWEZNQCLSA-N 1 0 263.381 2.944 50 0 CFAARO CCc1cc(C)c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)o1 ZINC000134991337 647890056 /nfs/dbraw/zinc/89/00/56/647890056.db2.gz RZYHAUZJYWCPIY-ZDUSSCGKSA-N 1 0 278.396 2.755 50 0 CFAARO Cc1cc(N[C@@H]2CCCCNC2=O)nc2ccccc12 ZINC000000229217 651101831 /nfs/dbraw/zinc/10/18/31/651101831.db2.gz OXCVOSXAQUUJFW-CQSZACIVSA-N 1 0 269.348 2.624 50 0 CFAARO CCN1CC[C@@H]([N@H+](CC)Cc2ccccc2)CCC1=O ZINC000014988437 651184636 /nfs/dbraw/zinc/18/46/36/651184636.db2.gz ACJWSPTXFJWKSZ-INIZCTEOSA-N 1 0 274.408 2.910 50 0 CFAARO C[C@H](CCc1c[nH]c2ccccc12)[N@H+]1CCC(=O)N(C)CC1 ZINC000015003081 651184675 /nfs/dbraw/zinc/18/46/75/651184675.db2.gz ZYEJALDSCQPJDU-CQSZACIVSA-N 1 0 299.418 2.653 50 0 CFAARO CCC(CC)C[N@@H+]1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000019839709 651294804 /nfs/dbraw/zinc/29/48/04/651294804.db2.gz KIGMJIYOBWCDRE-KRWDZBQOSA-N 1 0 282.472 2.734 50 0 CFAARO C[C@H]1CCC[N@H+](CCC(=O)N(C)Cc2cccs2)C1 ZINC000020453997 651298921 /nfs/dbraw/zinc/29/89/21/651298921.db2.gz MXSMJLHEALYMKE-ZDUSSCGKSA-N 1 0 280.437 2.829 50 0 CFAARO Cc1ccc(-c2cc(CN3CCc4n[nH]cc4C3)[nH]n2)s1 ZINC000020911663 651301741 /nfs/dbraw/zinc/30/17/41/651301741.db2.gz HXXLDVLUNGFWJD-UHFFFAOYSA-N 1 0 299.403 2.728 50 0 CFAARO CC[NH+](CC)C1CCN(c2ncccc2F)CC1 ZINC000095983916 722000402 /nfs/dbraw/zinc/00/04/02/722000402.db2.gz JXTBVLXWKYCRBH-UHFFFAOYSA-N 1 0 251.349 2.531 50 0 CFAARO [NH3+][C@@H](CNC(=O)c1cccc2c1CCC2)c1ccccc1 ZINC000152037285 777964785 /nfs/dbraw/zinc/96/47/85/777964785.db2.gz MMCRKNVPEOWIRZ-KRWDZBQOSA-N 1 0 280.371 2.605 50 0 CFAARO CC[C@H](Cc1ccco1)[NH2+]CCn1cnc(C)c1C ZINC000822620678 781907842 /nfs/dbraw/zinc/90/78/42/781907842.db2.gz UEYJYIGXKITOCS-CQSZACIVSA-N 1 0 261.369 2.704 50 0 CFAARO C[C@H]([NH2+]CCNC(=O)C(C)(C)C)c1cc(F)cc(F)c1 ZINC000096478750 230380056 /nfs/dbraw/zinc/38/00/56/230380056.db2.gz ALLDSKWNAVAZPW-JTQLQIEISA-N 1 0 284.350 2.778 50 0 CFAARO CC1(CC[NH2+][C@H]2CCc3ccc(F)cc32)OCCO1 ZINC000095939945 185035015 /nfs/dbraw/zinc/03/50/15/185035015.db2.gz PUPXVWHIOOGDQR-AWEZNQCLSA-N 1 0 265.328 2.556 50 0 CFAARO Cc1ccccc1C[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC000095964667 185045977 /nfs/dbraw/zinc/04/59/77/185045977.db2.gz WPOMGQCIRGPHGU-UHFFFAOYSA-N 1 0 286.419 2.924 50 0 CFAARO CCN(CC)C[C@H](C)[NH2+]Cc1ccc2c(c1)nc(C)n2C ZINC000823074732 781919000 /nfs/dbraw/zinc/91/90/00/781919000.db2.gz IPZDYAOFNSHGNK-ZDUSSCGKSA-N 1 0 288.439 2.702 50 0 CFAARO CCS[C@@H]1CC[C@]1(O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000095968907 185047400 /nfs/dbraw/zinc/04/74/00/185047400.db2.gz IVABNEZAKYDYOG-OAGGEKHMSA-N 1 0 277.433 2.910 50 0 CFAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cccn1C ZINC000095978193 185051827 /nfs/dbraw/zinc/05/18/27/185051827.db2.gz ZIOWPWLIRYYBSP-WBMJQRKESA-N 1 0 276.355 2.766 50 0 CFAARO CC(=O)N[C@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000095982578 185054290 /nfs/dbraw/zinc/05/42/90/185054290.db2.gz COQNRXLDRBOVKO-WKOYGUFESA-N 1 0 272.392 2.690 50 0 CFAARO CC(C)c1nn(C)cc1C[N@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000095987310 185056027 /nfs/dbraw/zinc/05/60/27/185056027.db2.gz YUGWOWQRQMPQTR-WMZOPIPTSA-N 1 0 299.418 2.634 50 0 CFAARO Cc1ccc(NC(=O)[C@@]2(C)CCCO2)c(C[NH+](C)C)c1 ZINC000095991080 185058297 /nfs/dbraw/zinc/05/82/97/185058297.db2.gz GKXSNNOLSDETTH-MRXNPFEDSA-N 1 0 276.380 2.564 50 0 CFAARO O=C(C[NH2+][C@@H]1CCCSc2ccccc21)NCC1CC1 ZINC000095995899 185060020 /nfs/dbraw/zinc/06/00/20/185060020.db2.gz UKZSDWYLHCDCDB-CQSZACIVSA-N 1 0 290.432 2.729 50 0 CFAARO CSCc1cc(C(=O)N(C)C2CC[NH2+]CC2)ccc1F ZINC000125396887 187183112 /nfs/dbraw/zinc/18/31/12/187183112.db2.gz YMJMNUDSJKGZDZ-UHFFFAOYSA-N 1 0 296.411 2.513 50 0 CFAARO CCC[NH+]1CCC(N[C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097033397 185156051 /nfs/dbraw/zinc/15/60/51/185156051.db2.gz UZBRWJCVJDXTCU-MRXNPFEDSA-N 1 0 296.842 2.837 50 0 CFAARO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@](C)(CO)C2)cc1 ZINC000097033942 185156564 /nfs/dbraw/zinc/15/65/64/185156564.db2.gz UOCHPJGVVNYLQU-WMLDXEAASA-N 1 0 277.408 2.893 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(C)s2)C1(C)C ZINC000097034589 185157381 /nfs/dbraw/zinc/15/73/81/185157381.db2.gz RVAYZOCXBHDSST-GHMZBOCLSA-N 1 0 254.399 2.745 50 0 CFAARO CC[C@@H](C[NH2+]C1CCOCC1)Oc1ccccc1F ZINC000096452776 529489889 /nfs/dbraw/zinc/48/98/89/529489889.db2.gz GXNWAYBNMJTVSJ-ZDUSSCGKSA-N 1 0 267.344 2.752 50 0 CFAARO CC[C@@H](CSc1ccccc1)[NH2+][C@H]1CCOC1 ZINC000096490344 529534206 /nfs/dbraw/zinc/53/42/06/529534206.db2.gz XUCITKOZEUFPRO-STQMWFEESA-N 1 0 251.395 2.936 50 0 CFAARO C[C@H]1C[NH2+]CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000126343325 187233375 /nfs/dbraw/zinc/23/33/75/187233375.db2.gz WZODGPHVHJZUIH-ZETCQYMHSA-N 1 0 291.153 2.566 50 0 CFAARO Fc1ccc(CSC2=[NH+]CCN2)c(Br)c1 ZINC000011155382 539357959 /nfs/dbraw/zinc/35/79/59/539357959.db2.gz YAOGOOPDXPQEFT-UHFFFAOYSA-N 1 0 289.173 2.781 50 0 CFAARO O=c1cc(C[N@@H+]2C[C@H]3CCCCC[C@@H]32)nc2sccn21 ZINC000075109045 347055799 /nfs/dbraw/zinc/05/57/99/347055799.db2.gz WANMWISPJBPVNA-YPMHNXCESA-N 1 0 289.404 2.521 50 0 CFAARO COC[C@@H](O)CCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000097086038 185527500 /nfs/dbraw/zinc/52/75/00/185527500.db2.gz LPFBOOTWLQNQES-ZDUSSCGKSA-N 1 0 274.364 2.661 50 0 CFAARO Cc1ccc(F)cc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000127530845 187313941 /nfs/dbraw/zinc/31/39/41/187313941.db2.gz YCGKHHQRWYTCMV-UHFFFAOYSA-N 1 0 290.382 2.738 50 0 CFAARO COc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC000077690696 539522216 /nfs/dbraw/zinc/52/22/16/539522216.db2.gz MGNCBHCTEOROQY-CQSZACIVSA-N 1 0 291.395 2.562 50 0 CFAARO CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2cccnc2)N1O ZINC000000437326 346204960 /nfs/dbraw/zinc/20/49/60/346204960.db2.gz OPUUMDUTTFSISZ-OAHLLOKOSA-N 1 0 283.331 2.563 50 0 CFAARO CCN1CC[NH+]([C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000019637649 346242457 /nfs/dbraw/zinc/24/24/57/346242457.db2.gz JFYUXPZOHQKXGW-HNNXBMFYSA-N 1 0 276.424 2.654 50 0 CFAARO Cc1ccccc1O[C@@H](C)CC[C@H](C)[N@H+](C)CCO ZINC000022064892 346247603 /nfs/dbraw/zinc/24/76/03/346247603.db2.gz CCWAVEMRPJAESV-GJZGRUSLSA-N 1 0 265.397 2.855 50 0 CFAARO CC(C)c1nnc(C2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000085470721 179076055 /nfs/dbraw/zinc/07/60/55/179076055.db2.gz AWZGUDPSGRZYKZ-UHFFFAOYSA-N 1 0 286.379 2.968 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000076057277 347117035 /nfs/dbraw/zinc/11/70/35/347117035.db2.gz VCFCPRVLJNZDQT-CJNGLKHVSA-N 1 0 299.418 2.905 50 0 CFAARO CS[C@H]1CCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000076147678 347125221 /nfs/dbraw/zinc/12/52/21/347125221.db2.gz AVULZBVBSGDUSY-KGLIPLIRSA-N 1 0 250.411 2.840 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000078898341 347279085 /nfs/dbraw/zinc/27/90/85/347279085.db2.gz XLQAJTVLLVXTMR-WBMJQRKESA-N 1 0 290.382 2.562 50 0 CFAARO Cc1cnc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 ZINC000078947937 347280951 /nfs/dbraw/zinc/28/09/51/347280951.db2.gz BFPYAWIHXQWPTL-ROUUACIJSA-N 1 0 297.402 2.873 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc3cccnc32)[C@H](C)C1 ZINC000084714935 347470156 /nfs/dbraw/zinc/47/01/56/347470156.db2.gz ZQLOZYFKAZASNI-DYVFJYSZSA-N 1 0 297.402 2.581 50 0 CFAARO Brc1ccc2[nH]c3c(c2c1)CC[NH2+]CC3 ZINC000084801913 347474911 /nfs/dbraw/zinc/47/49/11/347474911.db2.gz KQTSEZGZBJLPQC-UHFFFAOYSA-N 1 0 265.154 2.619 50 0 CFAARO COc1ccc([C@H]([NH2+]CC[C@H](C)O)C(C)C)cc1 ZINC000091339928 347582848 /nfs/dbraw/zinc/58/28/48/347582848.db2.gz CLSOHIGRMBHUQT-SWLSCSKDSA-N 1 0 251.370 2.753 50 0 CFAARO O[C@@]1(c2ccccc2)CCC[NH2+][C@H]1Cc1ccccc1 ZINC000096027077 347700726 /nfs/dbraw/zinc/70/07/26/347700726.db2.gz DTHAJUWHWQFHKJ-ZWKOTPCHSA-N 1 0 267.372 2.869 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC1(C)OCCO1 ZINC000097098938 347707206 /nfs/dbraw/zinc/70/72/06/347707206.db2.gz FQMXAJMVZDUGTG-UONOGXRCSA-N 1 0 253.386 2.722 50 0 CFAARO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000097235477 347707762 /nfs/dbraw/zinc/70/77/62/347707762.db2.gz UGPIGCIOZUWLTP-CQSZACIVSA-N 1 0 291.391 2.803 50 0 CFAARO CCc1nnc2n1C[C@@H](C[NH2+]C/C=C\c1ccccc1)CC2 ZINC000097301499 347708518 /nfs/dbraw/zinc/70/85/18/347708518.db2.gz XOBQPLLOSSYMRE-CXOKCQFOSA-N 1 0 296.418 2.706 50 0 CFAARO COc1ccc([C@@H](CCO)[NH2+][C@H]2CCCSC2)cc1 ZINC000097370896 347708763 /nfs/dbraw/zinc/70/87/63/347708763.db2.gz USTRMAIWOULYKI-DZGCQCFKSA-N 1 0 281.421 2.604 50 0 CFAARO C[C@@H]([NH2+]CCc1cccs1)c1nnc2ccccn21 ZINC000097374250 347709222 /nfs/dbraw/zinc/70/92/22/347709222.db2.gz KTELZMURQRZAGQ-LLVKDONJSA-N 1 0 272.377 2.684 50 0 CFAARO C[C@H]([NH2+]CCc1cccs1)c1nnc2ccccn21 ZINC000097374249 347709258 /nfs/dbraw/zinc/70/92/58/347709258.db2.gz KTELZMURQRZAGQ-NSHDSACASA-N 1 0 272.377 2.684 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1nnc2ccccn21 ZINC000133953455 347894892 /nfs/dbraw/zinc/89/48/92/347894892.db2.gz NIGRNIMYOVEBMV-CABCVRRESA-N 1 0 284.407 2.854 50 0 CFAARO Cc1c(-c2ccc(Cl)cc2)[n+](=O)c2c(n1O)CCC2 ZINC000137276961 347912680 /nfs/dbraw/zinc/91/26/80/347912680.db2.gz PWDOOKYJSYYPGJ-UHFFFAOYSA-N 1 0 277.731 2.757 50 0 CFAARO CSC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000165286642 348038648 /nfs/dbraw/zinc/03/86/48/348038648.db2.gz AAZMJNHTSXNLAW-KKUMJFAQSA-N 1 0 265.422 2.984 50 0 CFAARO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCc1cccs1 ZINC000170087658 348053324 /nfs/dbraw/zinc/05/33/24/348053324.db2.gz YNBWQYZNPYOSMS-BZPMIXESSA-N 1 0 253.411 2.772 50 0 CFAARO O[C@H](C[NH2+][C@H]1CCCOc2cc(F)ccc21)c1ccco1 ZINC000170073233 348053580 /nfs/dbraw/zinc/05/35/80/348053580.db2.gz MUVOVEAYRGTMJS-UONOGXRCSA-N 1 0 291.322 2.956 50 0 CFAARO CC(C)COC(=O)N1CCC([NH2+][C@@H]2C=CCCC2)CC1 ZINC000170592184 348054803 /nfs/dbraw/zinc/05/48/03/348054803.db2.gz CRNSQNQQALRZRZ-CQSZACIVSA-N 1 0 280.412 2.942 50 0 CFAARO Cc1nc(N(C)C)sc1CN(C)Cc1ccncc1 ZINC000170594879 348054911 /nfs/dbraw/zinc/05/49/11/348054911.db2.gz ZIXCQEJKVLPZFI-UHFFFAOYSA-N 1 0 276.409 2.545 50 0 CFAARO COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3nccn3C)c21 ZINC000170593087 348054992 /nfs/dbraw/zinc/05/49/92/348054992.db2.gz JKZRXXREBHXWFZ-LBPRGKRZSA-N 1 0 298.390 2.803 50 0 CFAARO C[NH+](C)CCCc1noc(C2(c3ccccc3)CC2)n1 ZINC000170598150 348056130 /nfs/dbraw/zinc/05/61/30/348056130.db2.gz XTGSRJWPJHIRAT-UHFFFAOYSA-N 1 0 271.364 2.644 50 0 CFAARO CCCN(CC(C)(C)c1ccccc1)C(=O)C[NH2+]C1CC1 ZINC000170688776 348059335 /nfs/dbraw/zinc/05/93/35/348059335.db2.gz WETUCQYMNFJVFB-UHFFFAOYSA-N 1 0 288.435 2.955 50 0 CFAARO C[C@H](O)CC[NH2+][C@@H](C)C(C)(C)c1ccc(F)cc1 ZINC000185456197 348128938 /nfs/dbraw/zinc/12/89/38/348128938.db2.gz RQHYJMVOVCFXCY-RYUDHWBXSA-N 1 0 253.361 2.852 50 0 CFAARO C[C@@H]([NH2+]CC[C@H](C)O)C(C)(C)c1ccc(F)cc1 ZINC000185456240 348128995 /nfs/dbraw/zinc/12/89/95/348128995.db2.gz RQHYJMVOVCFXCY-NWDGAFQWSA-N 1 0 253.361 2.852 50 0 CFAARO CCCc1nc(C[NH2+][C@@H](C)[C@H]2CCCO2)cs1 ZINC000183121026 348126147 /nfs/dbraw/zinc/12/61/47/348126147.db2.gz VNPQPSBOJZHYCA-CMPLNLGQSA-N 1 0 254.399 2.753 50 0 CFAARO Cc1ccc(F)cc1C[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000195553416 348146171 /nfs/dbraw/zinc/14/61/71/348146171.db2.gz SEEHISJNNPVUMG-UHFFFAOYSA-N 1 0 290.382 2.625 50 0 CFAARO COC(C[N@@H+]1Cc2ccccc2SC[C@@H]1C)OC ZINC000225453392 348177531 /nfs/dbraw/zinc/17/75/31/348177531.db2.gz VFWULGGXMHRALW-NSHDSACASA-N 1 0 267.394 2.602 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000409421089 348600816 /nfs/dbraw/zinc/60/08/16/348600816.db2.gz GMEYBHVHJMQRDS-GFCCVEGCSA-N 1 0 275.377 2.649 50 0 CFAARO c1cc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)co1 ZINC000584884168 348726545 /nfs/dbraw/zinc/72/65/45/348726545.db2.gz RYCLLAQQLYIZNG-AWEZNQCLSA-N 1 0 282.347 2.702 50 0 CFAARO COc1ccc(CC[C@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000584886127 348727480 /nfs/dbraw/zinc/72/74/80/348727480.db2.gz SMEHXXMKHSRZKF-NSHDSACASA-N 1 0 291.420 2.675 50 0 CFAARO Cc1cc(C[NH2+][C@H](C)CN2CCCCC2)cnc1C ZINC000584888303 348728373 /nfs/dbraw/zinc/72/83/73/348728373.db2.gz USTSLTXPUBRTOW-CQSZACIVSA-N 1 0 261.413 2.662 50 0 CFAARO CCSC[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000584890473 348729031 /nfs/dbraw/zinc/72/90/31/348729031.db2.gz ORVNGVPJPRGHMC-LBPRGKRZSA-N 1 0 263.410 2.608 50 0 CFAARO CCC[C@H](Cn1cnc2cc(Cl)ccc2c1=O)[NH+](C)C ZINC000584894465 348730166 /nfs/dbraw/zinc/73/01/66/348730166.db2.gz JSFOGSPHANXCCA-GFCCVEGCSA-N 1 0 293.798 2.780 50 0 CFAARO c1sc(CC[NH2+][C@H]2CCOC2)nc1-c1ccccc1 ZINC000584904016 348733525 /nfs/dbraw/zinc/73/35/25/348733525.db2.gz NANXJRNSJNTNPC-ZDUSSCGKSA-N 1 0 274.389 2.731 50 0 CFAARO CCOCC[NH2+][C@@H](C)c1cccc(Br)n1 ZINC000585134642 348735410 /nfs/dbraw/zinc/73/54/10/348735410.db2.gz DGSJMRPNYNFHSZ-VIFPVBQESA-N 1 0 273.174 2.531 50 0 CFAARO C[C@H]([NH2+]Cc1noc2c1CCCC2)[C@@H]1CCCCO1 ZINC000585136530 348736363 /nfs/dbraw/zinc/73/63/63/348736363.db2.gz JQOAHWLBYYBEFP-FZMZJTMJSA-N 1 0 264.369 2.601 50 0 CFAARO O[C@@H](c1ccccc1)C1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000075558135 539705128 /nfs/dbraw/zinc/70/51/28/539705128.db2.gz IBMLSDBIMXZVKX-KRWDZBQOSA-N 1 0 270.376 2.960 50 0 CFAARO CCCCCC[C@@H]1C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004837133 282656333 /nfs/dbraw/zinc/65/63/33/282656333.db2.gz HEQZDVJWAHZGMY-NXEZZACHSA-N 1 0 258.387 2.515 50 0 CFAARO COCCC[C@]1(CO)CCC[N@H+](CCc2ccccc2)C1 ZINC000091255582 180114714 /nfs/dbraw/zinc/11/47/14/180114714.db2.gz IWJNSUGYSXTJAH-GOSISDBHSA-N 1 0 291.435 2.730 50 0 CFAARO NC(=O)c1cccc(C[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000091468679 180164730 /nfs/dbraw/zinc/16/47/30/180164730.db2.gz JNNLFCVGPWPRNJ-CQSZACIVSA-N 1 0 272.392 2.593 50 0 CFAARO Cc1cccc(Cn2ncnc2[C@H](C)C[NH+]2CCCC2)c1 ZINC000091425958 180151849 /nfs/dbraw/zinc/15/18/49/180151849.db2.gz LIDKUXZENJEOQT-OAHLLOKOSA-N 1 0 284.407 2.834 50 0 CFAARO [NH3+]CCc1ccc(C[C@H]2COc3ccccc3C2)cc1 ZINC000091586860 180200803 /nfs/dbraw/zinc/20/08/03/180200803.db2.gz STPAVDCQTZRTEI-MRXNPFEDSA-N 1 0 267.372 2.982 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCNc1ncnc2cccc(F)c21 ZINC000091616807 180208459 /nfs/dbraw/zinc/20/84/59/180208459.db2.gz LTVCPQFLCRTUAV-LLVKDONJSA-N 1 0 274.343 2.665 50 0 CFAARO OCc1cccc(C[C@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000091665764 180222524 /nfs/dbraw/zinc/22/25/24/180222524.db2.gz LOPIGOYPJRIOKD-MRXNPFEDSA-N 1 0 282.387 2.639 50 0 CFAARO CC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(C)ccc1OC ZINC000091732709 180243359 /nfs/dbraw/zinc/24/33/59/180243359.db2.gz RTDWOXXQYJHYLS-GDBMZVCRSA-N 1 0 295.448 2.912 50 0 CFAARO Cc1c(C(=O)NC[C@@H]2CCC[NH2+]2)[nH]c2c1c(C)ccc2C ZINC000091736558 180244348 /nfs/dbraw/zinc/24/43/48/180244348.db2.gz YNESLUGYEXGPDJ-ZDUSSCGKSA-N 1 0 285.391 2.575 50 0 CFAARO CC(C)=CC[C@]1(CO)CCC[N@H+](CC2CCOCC2)C1 ZINC000091934483 180288969 /nfs/dbraw/zinc/28/89/69/180288969.db2.gz KCZAVUNIKCHBGW-QGZVFWFLSA-N 1 0 281.440 2.844 50 0 CFAARO CC(C)=CCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H](O)C1 ZINC000108273800 186209973 /nfs/dbraw/zinc/20/99/73/186209973.db2.gz OVJHNMGTJVVPJH-SFHVURJKSA-N 1 0 288.435 2.521 50 0 CFAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000110642518 186308374 /nfs/dbraw/zinc/30/83/74/186308374.db2.gz XKCGMGUBELMIQY-NWDGAFQWSA-N 1 0 297.424 2.528 50 0 CFAARO Cc1cc(C[NH2+]Cc2ccc(CO)cc2)ccc1F ZINC000227464736 539938144 /nfs/dbraw/zinc/93/81/44/539938144.db2.gz JUNZLZRRQDGRIV-UHFFFAOYSA-N 1 0 259.324 2.916 50 0 CFAARO Cc1ncsc1C[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000154698663 188157459 /nfs/dbraw/zinc/15/74/59/188157459.db2.gz MHFZEUXIRZSATF-YJYMSZOUSA-N 1 0 294.445 2.661 50 0 CFAARO CS(=O)(=O)C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000154985369 188175174 /nfs/dbraw/zinc/17/51/74/188175174.db2.gz NPJAJWOHLWIAHT-ZBFHGGJFSA-N 1 0 293.432 2.718 50 0 CFAARO C[C@@H]([NH3+])C(=O)N1CCc2cc(-c3ccccc3)ccc21 ZINC000156104779 188243754 /nfs/dbraw/zinc/24/37/54/188243754.db2.gz JYWBGPNOGMXQHQ-GFCCVEGCSA-N 1 0 266.344 2.590 50 0 CFAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000158811925 188395667 /nfs/dbraw/zinc/39/56/67/188395667.db2.gz JJTJGWQLHFAFAW-DZGCQCFKSA-N 1 0 292.398 2.590 50 0 CFAARO Cc1nc(C)c(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000628339061 354552022 /nfs/dbraw/zinc/55/20/22/354552022.db2.gz DIXMXTIYHSVHKT-CQSZACIVSA-N 1 0 277.412 2.788 50 0 CFAARO CC(=O)c1ccc2c(c1)CC[N@H+]([C@@H](C)c1cnccn1)CC2 ZINC000239653707 540042172 /nfs/dbraw/zinc/04/21/72/540042172.db2.gz BKVLCADQPZRCMQ-ZDUSSCGKSA-N 1 0 295.386 2.841 50 0 CFAARO Cc1cnc(C[NH2+]CCCOC2CCCCC2)o1 ZINC000630095384 355005780 /nfs/dbraw/zinc/00/57/80/355005780.db2.gz CXMMRTYBVHVROY-UHFFFAOYSA-N 1 0 252.358 2.812 50 0 CFAARO Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000248124866 540258840 /nfs/dbraw/zinc/25/88/40/540258840.db2.gz ZUAHEXVYJBMJTO-FJIDUMEYSA-N 1 0 298.430 2.842 50 0 CFAARO Cc1cccc([C@H](O)C[NH2+][C@H](C)CC2CCOCC2)c1 ZINC000090519724 540364572 /nfs/dbraw/zinc/36/45/72/540364572.db2.gz RNOUXGPFYUBUCH-RHSMWYFYSA-N 1 0 277.408 2.823 50 0 CFAARO Cc1cc(C[C@@H](C)[NH2+]C2CCOCC2)n(-c2ccccc2)n1 ZINC000090602170 540368880 /nfs/dbraw/zinc/36/88/80/540368880.db2.gz QMNYFVQCNCBGOK-CQSZACIVSA-N 1 0 299.418 2.880 50 0 CFAARO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000090801330 540379877 /nfs/dbraw/zinc/37/98/77/540379877.db2.gz VOFSUVJUCVJWCW-HUUCEWRRSA-N 1 0 285.391 2.864 50 0 CFAARO Cc1cnccc1CC[NH2+][C@H]1CCCSCC1 ZINC000585093620 540462089 /nfs/dbraw/zinc/46/20/89/540462089.db2.gz OTEVTGFFNBMIMD-AWEZNQCLSA-N 1 0 250.411 2.808 50 0 CFAARO COC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2C)CC1 ZINC000095420825 291183309 /nfs/dbraw/zinc/18/33/09/291183309.db2.gz XJBGJKQROHXUNK-AWEZNQCLSA-N 1 0 290.407 2.746 50 0 CFAARO Cc1cc([C@H]2CCC[N@H+](CC3(O)CCCCC3)C2)[nH]n1 ZINC000084111140 540681380 /nfs/dbraw/zinc/68/13/80/540681380.db2.gz YQCOPOYYKQTIQW-AWEZNQCLSA-N 1 0 277.412 2.593 50 0 CFAARO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cncn1C ZINC000177044183 189023780 /nfs/dbraw/zinc/02/37/80/189023780.db2.gz YSWYUFQZHFGOLZ-OAHLLOKOSA-N 1 0 271.364 2.766 50 0 CFAARO CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094750097 540723833 /nfs/dbraw/zinc/72/38/33/540723833.db2.gz OLBVEOXPMURZGK-MCIONIFRSA-N 1 0 252.402 2.543 50 0 CFAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3sccc32)C1 ZINC000095423790 540723971 /nfs/dbraw/zinc/72/39/71/540723971.db2.gz YMJAAZRIRQNVAH-GXTWGEPZSA-N 1 0 292.448 2.972 50 0 CFAARO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCCN(C)C1)CCC2 ZINC000095420735 540724478 /nfs/dbraw/zinc/72/44/78/540724478.db2.gz ZAJDZFMQZHPJAV-NEPJUHHUSA-N 1 0 279.453 2.767 50 0 CFAARO Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000095458189 540724889 /nfs/dbraw/zinc/72/48/89/540724889.db2.gz IEHKRAHSSHKJHF-RYUDHWBXSA-N 1 0 260.341 2.647 50 0 CFAARO C/C(=C\C(=O)N1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000178271682 189101903 /nfs/dbraw/zinc/10/19/03/189101903.db2.gz DGEVVQXOTGYZSS-FROQITRMSA-N 1 0 298.308 2.668 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 ZINC000178545574 189125518 /nfs/dbraw/zinc/12/55/18/189125518.db2.gz YXBRNDKIYNEZFA-ORAHPGNNSA-N 1 0 299.201 2.814 50 0 CFAARO C[N@@H+](Cc1ccco1)C[C@H](O)c1ccc2cc[nH]c2c1 ZINC000013366776 540939445 /nfs/dbraw/zinc/93/94/45/540939445.db2.gz QGAKFFDQLLINBD-INIZCTEOSA-N 1 0 270.332 2.926 50 0 CFAARO C[C@@H]1CC[C@H](C)N1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000299738868 200849551 /nfs/dbraw/zinc/84/95/51/200849551.db2.gz HMCVLPZEUMXQAR-GUTXKFCHSA-N 1 0 260.381 2.866 50 0 CFAARO CCCOC[C@@H]1CCN(Cc2noc(CC(C)C)n2)C1 ZINC000670459770 541002424 /nfs/dbraw/zinc/00/24/24/541002424.db2.gz YDTRSXJVJIFMND-CYBMUJFWSA-N 1 0 281.400 2.517 50 0 CFAARO CCCCc1nc(CN(C)C[C@H]2CC[N@H+](CC)C2)c[nH]1 ZINC000670438675 540995378 /nfs/dbraw/zinc/99/53/78/540995378.db2.gz FWNTZYPFXJHVTH-CQSZACIVSA-N 1 0 278.444 2.526 50 0 CFAARO c1ccc(O[C@@H]2CC[N@@H+](C3CSCCSC3)C2)cc1 ZINC000670448385 540997722 /nfs/dbraw/zinc/99/77/22/540997722.db2.gz MCXKKIUBOWKSOQ-OAHLLOKOSA-N 1 0 295.473 2.988 50 0 CFAARO CC(C)Oc1ccccc1OCC[N@H+](C)C[C@H]1CCOC1 ZINC000670465639 541006306 /nfs/dbraw/zinc/00/63/06/541006306.db2.gz GDEFRVRVXDDVFD-OAHLLOKOSA-N 1 0 293.407 2.821 50 0 CFAARO Cn1ccnc1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000670470885 541009722 /nfs/dbraw/zinc/00/97/22/541009722.db2.gz LCHTYHDDLCTSQZ-INIZCTEOSA-N 1 0 269.392 2.842 50 0 CFAARO CNC(=O)C[C@H]1CC[N@H+](Cc2ccc(CC(C)C)s2)C1 ZINC000670472800 541011296 /nfs/dbraw/zinc/01/12/96/541011296.db2.gz KPHDTTONCJWXSC-CYBMUJFWSA-N 1 0 294.464 2.905 50 0 CFAARO Cc1[nH]nc2c1C[N@H+](C[C@@H](C)c1ccccc1)CC2 ZINC000670473132 541011323 /nfs/dbraw/zinc/01/13/23/541011323.db2.gz ZSOFTGYADQOLFN-GFCCVEGCSA-N 1 0 255.365 2.880 50 0 CFAARO CCNC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2F)C1 ZINC000180945073 189284560 /nfs/dbraw/zinc/28/45/60/189284560.db2.gz RPMZPIDOCBQBPX-WFASDCNBSA-N 1 0 293.386 2.670 50 0 CFAARO Cc1cc(C)n(CCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)n1 ZINC000433345051 240149827 /nfs/dbraw/zinc/14/98/27/240149827.db2.gz VFNJFZJOPKZJON-UHFFFAOYSA-N 1 0 299.378 2.663 50 0 CFAARO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000195541220 189677903 /nfs/dbraw/zinc/67/79/03/189677903.db2.gz PVRFPIAGPKRJRC-SYNHAJSKSA-N 1 0 291.460 2.823 50 0 CFAARO [NH3+]Cc1cc(-c2ccc(Br)c(Cl)c2)n[nH]1 ZINC000685949876 541458462 /nfs/dbraw/zinc/45/84/62/541458462.db2.gz VEVOKKZCKKFOTB-UHFFFAOYSA-N 1 0 286.560 2.951 50 0 CFAARO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccsc1)C1CC1 ZINC000275707799 193109960 /nfs/dbraw/zinc/10/99/60/193109960.db2.gz NPVOWMHCYCAFQM-OAHLLOKOSA-N 1 0 278.421 2.723 50 0 CFAARO CCSCC[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000276215505 193245143 /nfs/dbraw/zinc/24/51/43/193245143.db2.gz LQCQZQVRJUZDPP-UHFFFAOYSA-N 1 0 279.453 2.915 50 0 CFAARO [NH3+]C[C@H](NC(=O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000236266167 189833539 /nfs/dbraw/zinc/83/35/39/189833539.db2.gz YRVAXWWCPDZPGX-ZDUSSCGKSA-N 1 0 284.762 2.726 50 0 CFAARO C[NH+](C)CCCN1C(=O)CS[C@@H]1c1cccc(Cl)c1 ZINC000000196396 371556631 /nfs/dbraw/zinc/55/66/31/371556631.db2.gz JDMFQXLAGLWHOH-CQSZACIVSA-N 1 0 298.839 2.866 50 0 CFAARO CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000000057262 371519015 /nfs/dbraw/zinc/51/90/15/371519015.db2.gz STJMRWALKKWQGH-SNVBAGLBSA-N 1 0 277.195 2.997 50 0 world CFAARO C[NH2+]C1CCN(C(=O)/C=C(/C)c2ccccc2Cl)CC1 ZINC000237085530 189862581 /nfs/dbraw/zinc/86/25/81/189862581.db2.gz AZIFCPQLHQZVSD-QXMHVHEDSA-N 1 0 292.810 2.954 50 0 CFAARO CC[NH+](CC)C[C@@H](O)Cn1c(C)c(C)c2ccccc21 ZINC000000096632 371529996 /nfs/dbraw/zinc/52/99/96/371529996.db2.gz CAEWJISHNSVROI-OAHLLOKOSA-N 1 0 274.408 2.961 50 0 CFAARO CC[N@@H+]1CCC[C@H](NC(=O)c2scc3c2CCCC3)C1 ZINC000000104179 371531222 /nfs/dbraw/zinc/53/12/22/371531222.db2.gz RHIXRBZSWUWWFN-ZDUSSCGKSA-N 1 0 292.448 2.841 50 0 CFAARO Cc1nc2sc3c(c2c(NCC[NH+](C)C)n1)CCCC3 ZINC000000137062 371539951 /nfs/dbraw/zinc/53/99/51/371539951.db2.gz TYNFPSCOCUPFMM-UHFFFAOYSA-N 1 0 290.436 2.852 50 0 CFAARO Clc1ccc(-c2noc(CSC3=[NH+]CCN3)n2)cc1 ZINC000000137811 371540137 /nfs/dbraw/zinc/54/01/37/371540137.db2.gz BAPHIXKOPMJNFJ-UHFFFAOYSA-N 1 0 294.767 2.582 50 0 CFAARO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000000176607 371549757 /nfs/dbraw/zinc/54/97/57/371549757.db2.gz IIJYNMNZMFTBEF-CYBMUJFWSA-N 1 0 276.380 2.756 50 0 CFAARO O=C(C[NH+]1CCCC1)Nc1c2c(nc3ccccc31)CCC2 ZINC000000191230 371554219 /nfs/dbraw/zinc/55/42/19/371554219.db2.gz VEZKHPRZCPPZNS-UHFFFAOYSA-N 1 0 295.386 2.758 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000214356 371561383 /nfs/dbraw/zinc/56/13/83/371561383.db2.gz YNWLYCAZWWTDFY-QGZVFWFLSA-N 1 0 288.435 2.810 50 0 CFAARO CN1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000000214216 371561416 /nfs/dbraw/zinc/56/14/16/371561416.db2.gz RMFVSFFLSPJYGK-UHFFFAOYSA-N 1 0 272.314 2.889 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000000239577 371566384 /nfs/dbraw/zinc/56/63/84/371566384.db2.gz PIEWWGWNQPJQND-UHFFFAOYSA-N 1 0 261.365 2.770 50 0 CFAARO C[NH+]1CCC(N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000000279568 371576682 /nfs/dbraw/zinc/57/66/82/371576682.db2.gz XLUPAIBNARAKKD-UHFFFAOYSA-N 1 0 293.842 2.556 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[NH+](C(C)C)C(C)C ZINC000000303305 371583309 /nfs/dbraw/zinc/58/33/09/371583309.db2.gz WFAUKGCPZNLFRI-HNNXBMFYSA-N 1 0 265.397 2.854 50 0 CFAARO O[C@]1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000000425733 371611529 /nfs/dbraw/zinc/61/15/29/371611529.db2.gz HIHVFBIPSUUBRO-IBGZPJMESA-N 1 0 293.390 2.947 50 0 CFAARO Fc1ccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000001278728 371664413 /nfs/dbraw/zinc/66/44/13/371664413.db2.gz WRPKKFVTJIQUIF-LLVKDONJSA-N 1 0 279.340 2.926 50 0 CFAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccc(OC)cc1 ZINC000002180644 371718435 /nfs/dbraw/zinc/71/84/35/371718435.db2.gz WOEWSFRZYMVVQV-GFCCVEGCSA-N 1 0 265.353 2.582 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c(C)c1 ZINC000002451816 371727822 /nfs/dbraw/zinc/72/78/22/371727822.db2.gz LVNFKWOEAAOEKJ-HZPDHXFCSA-N 1 0 277.408 2.918 50 0 CFAARO CCOC(=O)CCC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515097 371731370 /nfs/dbraw/zinc/73/13/70/371731370.db2.gz FXQNDXIGUZVPLC-UHFFFAOYSA-N 1 0 289.375 2.808 50 0 CFAARO CC(C)C[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000002655930 371744796 /nfs/dbraw/zinc/74/47/96/371744796.db2.gz YFQXFXKUDBBXSA-NVXWUHKLSA-N 1 0 277.408 2.687 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCc1ccccc1F ZINC000002674979 371746553 /nfs/dbraw/zinc/74/65/53/371746553.db2.gz AXBWTBDQEIFRII-IIAWOOMASA-N 1 0 295.398 2.966 50 0 CFAARO CC[NH+](CC)CCCOc1c(OC)cccc1OC ZINC000002932833 371765264 /nfs/dbraw/zinc/76/52/64/371765264.db2.gz AUWOKNJTTVHWAC-UHFFFAOYSA-N 1 0 267.369 2.815 50 0 CFAARO COCCC[NH2+]CCOCCOc1c(C)cc(C)cc1C ZINC000002981003 371766913 /nfs/dbraw/zinc/76/69/13/371766913.db2.gz QGBONAIMYCOYIQ-UHFFFAOYSA-N 1 0 295.423 2.633 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1OC ZINC000003237451 371783696 /nfs/dbraw/zinc/78/36/96/371783696.db2.gz BLQWAJWTBXEGIZ-CYBMUJFWSA-N 1 0 276.380 2.898 50 0 CFAARO CCc1ccc(OCC[NH2+]Cc2ccncc2)cc1 ZINC000004054549 371831485 /nfs/dbraw/zinc/83/14/85/371831485.db2.gz OWKBYHSZYFTGNO-UHFFFAOYSA-N 1 0 256.349 2.813 50 0 CFAARO Nc1cc(N)[nH+]c(SCc2ccc(F)cc2Cl)n1 ZINC000003357683 371795101 /nfs/dbraw/zinc/79/51/01/371795101.db2.gz TVKGDKFZSJXIQK-UHFFFAOYSA-N 1 0 284.747 2.726 50 0 CFAARO COc1ccccc1C(=O)O[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000003901936 371823955 /nfs/dbraw/zinc/82/39/55/371823955.db2.gz KTZCSPSWFXRDPE-LALPHHSUSA-N 1 0 277.364 2.581 50 0 CFAARO COc1ccc(CSC(N)=[NH2+])cc1Br ZINC000004008325 371827667 /nfs/dbraw/zinc/82/76/67/371827667.db2.gz PJOVHLKPXDLXFC-UHFFFAOYSA-N 1 0 275.171 2.584 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)c1C ZINC000004305008 371849490 /nfs/dbraw/zinc/84/94/90/371849490.db2.gz VDGUYYDRKTUPQS-BBRMVZONSA-N 1 0 277.408 2.775 50 0 CFAARO C[N@@H+]1CCC[C@H](OC(=O)c2cccc(Br)c2)C1 ZINC000004550379 371864547 /nfs/dbraw/zinc/86/45/47/371864547.db2.gz XIHJEHHSUCQSNW-LBPRGKRZSA-N 1 0 298.180 2.700 50 0 CFAARO Cc1ccccc1NC(=O)OC[C@H]1CCC[N@@H+](C)C1 ZINC000004566644 371864668 /nfs/dbraw/zinc/86/46/68/371864668.db2.gz MKOBWIXMVSJNJZ-ZDUSSCGKSA-N 1 0 262.353 2.885 50 0 CFAARO CCOc1ccc(CSC(N)=[NH2+])cc1Br ZINC000004587946 371865849 /nfs/dbraw/zinc/86/58/49/371865849.db2.gz WXCGOFRAUWDGCO-UHFFFAOYSA-N 1 0 289.198 2.974 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000004612297 371867309 /nfs/dbraw/zinc/86/73/09/371867309.db2.gz CYROGSYQLSPWNR-VGZDNEPHSA-N 1 0 273.376 2.975 50 0 CFAARO c1ccc2c(c1)nc1n2CCN1CC[NH2+]C1CCCCC1 ZINC000004635701 371869713 /nfs/dbraw/zinc/86/97/13/371869713.db2.gz LWONPDBXRUFQNA-UHFFFAOYSA-N 1 0 284.407 2.779 50 0 CFAARO Cc1cccc(Cl)c1NC(=O)OCC[NH+](C)C ZINC000004775523 371876278 /nfs/dbraw/zinc/87/62/78/371876278.db2.gz FRWXKINUOBHEMG-UHFFFAOYSA-N 1 0 256.733 2.759 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000237341612 189872726 /nfs/dbraw/zinc/87/27/26/189872726.db2.gz HQVQJLBWVFCUFF-PBHICJAKSA-N 1 0 296.414 2.968 50 0 CFAARO OCCOCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000010436386 371907923 /nfs/dbraw/zinc/90/79/23/371907923.db2.gz TWLWKHPWANPIDK-UHFFFAOYSA-N 1 0 295.766 2.699 50 0 CFAARO [NH3+][C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000011849808 371931550 /nfs/dbraw/zinc/93/15/50/371931550.db2.gz HTDKHVUZOKNNEP-ZDUSSCGKSA-N 1 0 255.296 2.875 50 0 CFAARO CC(C)(C)CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012381415 371957187 /nfs/dbraw/zinc/95/71/87/371957187.db2.gz MPFFIXGTGUTCPN-UHFFFAOYSA-N 1 0 266.429 2.900 50 0 CFAARO CSCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012387228 371959354 /nfs/dbraw/zinc/95/93/54/371959354.db2.gz IVDMQOPPHOTIDM-ZDUSSCGKSA-N 1 0 284.469 2.653 50 0 CFAARO CCn1nc(C)c(C[NH2+]CCc2cccc(OC)c2)c1C ZINC000012398283 371960827 /nfs/dbraw/zinc/96/08/27/371960827.db2.gz LWEPDXDLQQQKPI-UHFFFAOYSA-N 1 0 287.407 2.861 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COC1CCCC1 ZINC000012419901 371962998 /nfs/dbraw/zinc/96/29/98/371962998.db2.gz NEIQOMXRXOKOES-MGPQQGTHSA-N 1 0 255.402 2.569 50 0 CFAARO COc1cccc(C(=O)O[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000012436820 371965062 /nfs/dbraw/zinc/96/50/62/371965062.db2.gz GZVRRJMREYBBIV-SLEUVZQESA-N 1 0 277.364 2.581 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000012648706 371979295 /nfs/dbraw/zinc/97/92/95/371979295.db2.gz LBUYCRLVNHYWHB-CQSZACIVSA-N 1 0 291.395 2.571 50 0 CFAARO Cc1cccc(NC(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000012910858 371998014 /nfs/dbraw/zinc/99/80/14/371998014.db2.gz LFHRRZOKYGEAFY-UHFFFAOYSA-N 1 0 261.369 2.553 50 0 CFAARO Cc1cc(C)cc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012363270 371954987 /nfs/dbraw/zinc/95/49/87/371954987.db2.gz ZZYBUZMZIBEEOQ-GASCZTMLSA-N 1 0 290.407 2.741 50 0 CFAARO COCCC[NH2+]Cc1cccc(Br)c1 ZINC000013717950 372043424 /nfs/dbraw/zinc/04/34/24/372043424.db2.gz YRUAMUZPGIDLNW-UHFFFAOYSA-N 1 0 258.159 2.575 50 0 CFAARO CSc1cccc(NC(=O)NC2CC[NH+](C)CC2)c1 ZINC000013737231 372046764 /nfs/dbraw/zinc/04/67/64/372046764.db2.gz XBRJKNRNJGIOSZ-UHFFFAOYSA-N 1 0 279.409 2.624 50 0 CFAARO CN(C(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000012976595 372003756 /nfs/dbraw/zinc/00/37/56/372003756.db2.gz OQQMXPFGMJJHOM-UHFFFAOYSA-N 1 0 266.772 2.506 50 0 CFAARO Cc1cc(C)c(C[NH2+]CCc2nnc3ccccn32)c(C)c1 ZINC000014168498 372059401 /nfs/dbraw/zinc/05/94/01/372059401.db2.gz SROYJUUERHFNEO-UHFFFAOYSA-N 1 0 294.402 2.987 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1)c1ccsc1 ZINC000013011152 372011492 /nfs/dbraw/zinc/01/14/92/372011492.db2.gz DWSYWUWRMCOFTA-CQSZACIVSA-N 1 0 292.379 2.920 50 0 CFAARO CCc1c(C)scc1C(=O)NC1CC[NH+](CC)CC1 ZINC000016580405 372111407 /nfs/dbraw/zinc/11/14/07/372111407.db2.gz SRZUBKJTUZXXTE-UHFFFAOYSA-N 1 0 280.437 2.833 50 0 CFAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000016580670 372111795 /nfs/dbraw/zinc/11/17/95/372111795.db2.gz DUSAVCMYHMFBKE-UHFFFAOYSA-N 1 0 298.386 2.982 50 0 CFAARO CCCOc1cccc(C(=O)NC2CC[NH+](CC)CC2)c1 ZINC000016603254 372111833 /nfs/dbraw/zinc/11/18/33/372111833.db2.gz XURLUOIJJYZBSE-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2csc(C)c2C)CC1 ZINC000016603412 372113301 /nfs/dbraw/zinc/11/33/01/372113301.db2.gz MDHBLMIDUVRFQU-UHFFFAOYSA-N 1 0 280.437 2.969 50 0 CFAARO C[C@H](C(=O)NCc1ccco1)[N@H+](C)[C@@H](C)c1ccccc1 ZINC000016699582 372118176 /nfs/dbraw/zinc/11/81/76/372118176.db2.gz BRUACDORBRZLDY-UONOGXRCSA-N 1 0 286.375 2.977 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1ccc(-c2cccc(OC)c2)o1 ZINC000015083759 372078214 /nfs/dbraw/zinc/07/82/14/372078214.db2.gz RSAVHTWGGZCLMN-ZDUSSCGKSA-N 1 0 275.348 2.816 50 0 CFAARO C[C@@H](C(=O)NCc1cccs1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000016335512 372103120 /nfs/dbraw/zinc/10/31/20/372103120.db2.gz IGQOGXZLYQEXHB-UPJWGTAASA-N 1 0 280.437 2.731 50 0 CFAARO CC(C)NC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000016342736 372104443 /nfs/dbraw/zinc/10/44/43/372104443.db2.gz NQECGJBXCHRGIP-OAHLLOKOSA-N 1 0 260.381 2.520 50 0 CFAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000019496027 372168160 /nfs/dbraw/zinc/16/81/60/372168160.db2.gz QUPQDKOKZREOSB-RDJZCZTQSA-N 1 0 273.424 2.778 50 0 CFAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC000019496029 372168358 /nfs/dbraw/zinc/16/83/58/372168358.db2.gz GVLRXWWWGGUALN-DOTOQJQBSA-N 1 0 273.424 2.778 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000019499928 372170390 /nfs/dbraw/zinc/17/03/90/372170390.db2.gz FYWWOWBQGGLIGK-CQSZACIVSA-N 1 0 292.423 2.620 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2sccc2C)C1 ZINC000019536464 372173700 /nfs/dbraw/zinc/17/37/00/372173700.db2.gz DJEZEGQIKVSFRB-LBPRGKRZSA-N 1 0 267.394 2.832 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019537049 372173800 /nfs/dbraw/zinc/17/38/00/372173800.db2.gz ULKSOVUNGLZHNE-NSHDSACASA-N 1 0 253.367 2.523 50 0 CFAARO CC[NH+]1CCN(Cc2cccc(Br)c2)CC1 ZINC000019537532 372174418 /nfs/dbraw/zinc/17/44/18/372174418.db2.gz IBODGTMVMJMAQQ-UHFFFAOYSA-N 1 0 283.213 2.587 50 0 CFAARO CCCCOc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000019632998 372177581 /nfs/dbraw/zinc/17/75/81/372177581.db2.gz VMWBJAHBXSRIBZ-UHFFFAOYSA-N 1 0 262.397 2.613 50 0 CFAARO CC(C)[NH+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000019638244 372177971 /nfs/dbraw/zinc/17/79/71/372177971.db2.gz OABRGFCTTVKIEM-UHFFFAOYSA-N 1 0 284.407 2.603 50 0 CFAARO C[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000019633647 372178923 /nfs/dbraw/zinc/17/89/23/372178923.db2.gz FSFRTXIUZMRYPL-UHFFFAOYSA-N 1 0 259.180 2.741 50 0 CFAARO COc1cc2c(cc1O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]2O ZINC000017027520 372126397 /nfs/dbraw/zinc/12/63/97/372126397.db2.gz QVZIJKZJCCSTJP-WBVHZDCISA-N 1 0 299.370 2.663 50 0 CFAARO C[C@H]([NH2+]CCc1ccccn1)c1nc2ccccc2n1C ZINC000019916830 372209681 /nfs/dbraw/zinc/20/96/81/372209681.db2.gz UTAJOFMQECIBJY-ZDUSSCGKSA-N 1 0 280.375 2.862 50 0 CFAARO CCOCCC[NH2+]Cc1ccccc1Br ZINC000019963105 372215969 /nfs/dbraw/zinc/21/59/69/372215969.db2.gz KSQWLWRUKQANOO-UHFFFAOYSA-N 1 0 272.186 2.965 50 0 CFAARO CCc1ccc([C@H]([NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000019968540 372218207 /nfs/dbraw/zinc/21/82/07/372218207.db2.gz NKOHNTVXLLKRLW-INIZCTEOSA-N 1 0 289.400 2.701 50 0 CFAARO O=c1[nH]c(-c2ccc(Cl)cc2)c[n+]2ccccc12 ZINC000020030803 372220174 /nfs/dbraw/zinc/22/01/74/372220174.db2.gz WEFCMRVQHANYHN-UHFFFAOYSA-O 1 0 257.700 2.846 50 0 CFAARO OCC[C@@H]1C[N@H+](CC2CCCCC2)CCN1C1CCCC1 ZINC000020419342 372237226 /nfs/dbraw/zinc/23/72/26/372237226.db2.gz CHTBCENFLGVKFC-GOSISDBHSA-N 1 0 294.483 2.878 50 0 CFAARO CCN(CC)CC[NH2+]CCOc1ccccc1Cl ZINC000019737642 372183902 /nfs/dbraw/zinc/18/39/02/372183902.db2.gz FSALKFHCQOHCOZ-UHFFFAOYSA-N 1 0 270.804 2.650 50 0 CFAARO CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019794364 372187919 /nfs/dbraw/zinc/18/79/19/372187919.db2.gz URSVQYHWEKTJGL-UHFFFAOYSA-N 1 0 280.371 2.605 50 0 CFAARO CCOc1cc(CN2CC[NH+](C(C)C)CC2)ccc1OC ZINC000019789505 372188584 /nfs/dbraw/zinc/18/85/84/372188584.db2.gz LNQGKFKDBGQVIZ-UHFFFAOYSA-N 1 0 292.423 2.620 50 0 CFAARO Oc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019823088 372192637 /nfs/dbraw/zinc/19/26/37/372192637.db2.gz XJMWBZBPALRJBB-UHFFFAOYSA-N 1 0 282.387 2.710 50 0 CFAARO CCC(CC)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000019841875 372198399 /nfs/dbraw/zinc/19/83/99/372198399.db2.gz GMHYYYROZGPHHH-UHFFFAOYSA-N 1 0 274.408 2.562 50 0 CFAARO C[C@H]1CCC[C@@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000019842538 372198585 /nfs/dbraw/zinc/19/85/85/372198585.db2.gz MOFUDSRRLJQSIF-LSDHHAIUSA-N 1 0 262.397 2.976 50 0 CFAARO Fc1ccccc1OC1CC[NH+](CCn2cccn2)CC1 ZINC000019853588 372199741 /nfs/dbraw/zinc/19/97/41/372199741.db2.gz QDZLRSGBBFMTJP-UHFFFAOYSA-N 1 0 289.354 2.566 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC000025316157 372295024 /nfs/dbraw/zinc/29/50/24/372295024.db2.gz OBPQSAWCRPWRJS-HNNXBMFYSA-N 1 0 288.416 2.710 50 0 CFAARO c1coc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c1 ZINC000022934159 372248651 /nfs/dbraw/zinc/24/86/51/372248651.db2.gz XSDGSCXXPPKFII-AWEZNQCLSA-N 1 0 260.337 2.799 50 0 CFAARO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)ccc1OC ZINC000022936442 372249037 /nfs/dbraw/zinc/24/90/37/372249037.db2.gz YRRXZVMYHNUNAC-OAHLLOKOSA-N 1 0 292.423 2.668 50 0 CFAARO Cc1[nH]c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2c1C ZINC000023110379 372250534 /nfs/dbraw/zinc/25/05/34/372250534.db2.gz KVMGPKFHXKJYJS-UHFFFAOYSA-N 1 0 285.391 2.609 50 0 CFAARO CC(C)[NH+]1CCC(CNC(=O)c2cccs2)CC1 ZINC000023013960 372250728 /nfs/dbraw/zinc/25/07/28/372250728.db2.gz FCTRPHZWBSKYDW-UHFFFAOYSA-N 1 0 266.410 2.598 50 0 CFAARO CC(C)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023016976 372250851 /nfs/dbraw/zinc/25/08/51/372250851.db2.gz SLGBJQCZOFCCQC-UHFFFAOYSA-N 1 0 280.437 2.732 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023280109 372256394 /nfs/dbraw/zinc/25/63/94/372256394.db2.gz BYUQNZUEIVXXEE-YNEHKIRRSA-N 1 0 251.345 2.866 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000023280053 372256664 /nfs/dbraw/zinc/25/66/64/372256664.db2.gz XZBAXGRIGFYNJJ-CQSZACIVSA-N 1 0 270.376 2.854 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1cc2ccccc2n1C ZINC000023476997 372261086 /nfs/dbraw/zinc/26/10/86/372261086.db2.gz ZZKBQLPSJLJFEL-HNNXBMFYSA-N 1 0 271.408 2.752 50 0 CFAARO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000023623521 372263095 /nfs/dbraw/zinc/26/30/95/372263095.db2.gz FSQPZQITBAXHQI-CHWSQXEVSA-N 1 0 276.380 2.754 50 0 CFAARO Cc1cc(C)nc(NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000024053559 372271091 /nfs/dbraw/zinc/27/10/91/372271091.db2.gz WNPMAKCCBQRTOY-GFCCVEGCSA-N 1 0 276.409 2.870 50 0 CFAARO COc1ccccc1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000024812426 372281118 /nfs/dbraw/zinc/28/11/18/372281118.db2.gz NXHZDMBRLUMNJE-UHFFFAOYSA-N 1 0 298.386 2.938 50 0 CFAARO C[N@H+](CC(=O)NCc1ccco1)[C@H]1CCc2ccccc21 ZINC000024985117 372285213 /nfs/dbraw/zinc/28/52/13/372285213.db2.gz QJMFLQCPQCWTGO-INIZCTEOSA-N 1 0 284.359 2.515 50 0 CFAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000025949802 372309797 /nfs/dbraw/zinc/30/97/97/372309797.db2.gz XGIPVSCGMKIUIU-QGZVFWFLSA-N 1 0 295.386 2.727 50 0 CFAARO C[C@H](CNC(=O)C[C@@H]1C=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025941184 372311102 /nfs/dbraw/zinc/31/11/02/372311102.db2.gz DBAXTLJCTUOZDF-HZPDHXFCSA-N 1 0 298.430 2.906 50 0 CFAARO C[C@H](CCc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000026160359 372313760 /nfs/dbraw/zinc/31/37/60/372313760.db2.gz IBNQRCALBCNVQY-RHSMWYFYSA-N 1 0 282.387 2.824 50 0 CFAARO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000026160351 372314887 /nfs/dbraw/zinc/31/48/87/372314887.db2.gz IBNQRCALBCNVQY-WMLDXEAASA-N 1 0 282.387 2.824 50 0 CFAARO C[NH+](C)CCCNc1nc2ccc(F)cc2s1 ZINC000026423990 372319860 /nfs/dbraw/zinc/31/98/60/372319860.db2.gz DXHQWYMXQVAOLN-UHFFFAOYSA-N 1 0 253.346 2.799 50 0 CFAARO Cc1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)no1 ZINC000027979905 372354911 /nfs/dbraw/zinc/35/49/11/372354911.db2.gz LLFILQZUVNOSAV-UHFFFAOYSA-N 1 0 289.335 2.814 50 0 CFAARO c1ccc2c(c1)ncnc2NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000029588936 372382762 /nfs/dbraw/zinc/38/27/62/372382762.db2.gz DQCNXVRSFPCBAE-GFCCVEGCSA-N 1 0 268.364 2.526 50 0 CFAARO Cc1cc(NC(=O)C[N@@H+](C)C2CCCCCC2)on1 ZINC000032901386 372473185 /nfs/dbraw/zinc/47/31/85/372473185.db2.gz QLJNUNPZSIGNCY-UHFFFAOYSA-N 1 0 265.357 2.576 50 0 CFAARO CC(C)Oc1ccc(CNCCC[NH+](C)C)cc1 ZINC000032105924 372427261 /nfs/dbraw/zinc/42/72/61/372427261.db2.gz XAHPRQLXBFRXQZ-UHFFFAOYSA-N 1 0 250.386 2.515 50 0 CFAARO CC(C)c1ccc(CN(C(=O)CC[NH3+])C2CC2)cc1 ZINC000032111389 372429454 /nfs/dbraw/zinc/42/94/54/372429454.db2.gz RHNQFCAYTNGOGL-UHFFFAOYSA-N 1 0 260.381 2.650 50 0 CFAARO Cc1cc(N[C@H](C)c2cnn(-c3ccccc3)c2)nc(N)[nH+]1 ZINC000032519406 372443001 /nfs/dbraw/zinc/44/30/01/372443001.db2.gz HOKRLFTYVGASNU-GFCCVEGCSA-N 1 0 294.362 2.726 50 0 CFAARO NC(=O)CC[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000032514433 372443289 /nfs/dbraw/zinc/44/32/89/372443289.db2.gz MYZSGKMUPABOTE-UHFFFAOYSA-N 1 0 282.387 2.607 50 0 CFAARO Cc1ccnc(NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000032561900 372446278 /nfs/dbraw/zinc/44/62/78/372446278.db2.gz KMKZLZWICMRECJ-ZDUSSCGKSA-N 1 0 272.352 2.627 50 0 CFAARO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(C)n1 ZINC000032827497 372465996 /nfs/dbraw/zinc/46/59/96/372465996.db2.gz XVUKCPSRDUFKDY-UHFFFAOYSA-N 1 0 299.374 2.713 50 0 CFAARO CCCCc1oc2ccccc2c1C[NH2+]CC(=O)N(C)C ZINC000035112966 372540214 /nfs/dbraw/zinc/54/02/14/372540214.db2.gz QBRQREZTBGURMI-UHFFFAOYSA-N 1 0 288.391 2.953 50 0 CFAARO C[N@H+](CCOC(=O)/C=C\c1ccco1)Cc1ccccc1 ZINC000033432151 372494880 /nfs/dbraw/zinc/49/48/80/372494880.db2.gz JUAZECOXJLFJHX-KTKRTIGZSA-N 1 0 285.343 2.968 50 0 CFAARO Brc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000034778552 372514022 /nfs/dbraw/zinc/51/40/22/372514022.db2.gz PASSYCVZGDJDTK-UHFFFAOYSA-N 1 0 294.196 2.826 50 0 CFAARO O[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000034785103 372514841 /nfs/dbraw/zinc/51/48/41/372514841.db2.gz QPKSEDWUCQTKGZ-VIFPVBQESA-N 1 0 287.203 2.718 50 0 CFAARO Oc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000035605968 372549576 /nfs/dbraw/zinc/54/95/76/372549576.db2.gz IWHXCVNWMFVYLK-UHFFFAOYSA-N 1 0 286.350 2.854 50 0 CFAARO CCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)COC(C)(C)C ZINC000036097896 372557428 /nfs/dbraw/zinc/55/74/28/372557428.db2.gz CGRWRZXDDBJZEC-AWEZNQCLSA-N 1 0 283.412 2.976 50 0 CFAARO C[C@H](C(=O)NCc1cccs1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036431083 372580987 /nfs/dbraw/zinc/58/09/87/372580987.db2.gz IGQOGXZLYQEXHB-FRRDWIJNSA-N 1 0 280.437 2.731 50 0 CFAARO CC(C)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000036753894 372588197 /nfs/dbraw/zinc/58/81/97/372588197.db2.gz LIOGYFOFHFUIEW-UHFFFAOYSA-N 1 0 271.364 2.544 50 0 CFAARO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000037002193 372625845 /nfs/dbraw/zinc/62/58/45/372625845.db2.gz COSDZQKJZSTTGD-JOYOIKCWSA-N 1 0 254.399 2.670 50 0 CFAARO COc1ccc(F)cc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000037089687 372648024 /nfs/dbraw/zinc/64/80/24/372648024.db2.gz BPLUBDZCIVEXBB-SNVBAGLBSA-N 1 0 253.317 2.664 50 0 CFAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccccc1Cl ZINC000037817174 372723083 /nfs/dbraw/zinc/72/30/83/372723083.db2.gz FGYJMUPRLXSXHW-KBPBESRZSA-N 1 0 278.783 2.756 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000037862330 372728631 /nfs/dbraw/zinc/72/86/31/372728631.db2.gz ATQNOZFAUMHVFC-MRXNPFEDSA-N 1 0 275.323 2.658 50 0 CFAARO [NH3+]CCCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000237895379 189892813 /nfs/dbraw/zinc/89/28/13/189892813.db2.gz GGWJQAMMYZMPMA-CYBMUJFWSA-N 1 0 280.799 2.612 50 0 CFAARO NC(=O)[C@H]([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000037968886 372741162 /nfs/dbraw/zinc/74/11/62/372741162.db2.gz MKXQHDARFZDXFR-GFCCVEGCSA-N 1 0 297.196 2.508 50 0 CFAARO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccccc1 ZINC000038420153 372773336 /nfs/dbraw/zinc/77/33/36/372773336.db2.gz MUCVPGXECWXUCZ-UHFFFAOYSA-N 1 0 264.369 2.691 50 0 CFAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000041327768 372831666 /nfs/dbraw/zinc/83/16/66/372831666.db2.gz BGUUQDKRCNYJFQ-JTQLQIEISA-N 1 0 257.255 2.888 50 0 CFAARO CC[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000041953435 372866385 /nfs/dbraw/zinc/86/63/85/372866385.db2.gz UBGVWOSWFFWGAQ-WDEREUQCSA-N 1 0 254.399 2.513 50 0 CFAARO OC1CCC([NH2+]Cc2csc(-c3ccco3)n2)CC1 ZINC000042377587 372916085 /nfs/dbraw/zinc/91/60/85/372916085.db2.gz OKSUPIJJHDURTL-UHFFFAOYSA-N 1 0 278.377 2.796 50 0 CFAARO COC(=O)c1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000042773846 372953892 /nfs/dbraw/zinc/95/38/92/372953892.db2.gz XCSPCJWEQKGOLW-OAHLLOKOSA-N 1 0 277.364 2.522 50 0 CFAARO COc1ccc([C@@H](C)Nc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)cc1 ZINC000240203818 189902735 /nfs/dbraw/zinc/90/27/35/189902735.db2.gz JTRKDPVVRGQXJN-BNOWGMLFSA-N 1 0 298.390 2.863 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1)c1cccs1 ZINC000043144413 372977535 /nfs/dbraw/zinc/97/75/35/372977535.db2.gz WZPDLMZDKNTRKQ-GFCCVEGCSA-N 1 0 290.392 2.568 50 0 CFAARO C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@H]1c1cccs1 ZINC000043190201 372981723 /nfs/dbraw/zinc/98/17/23/372981723.db2.gz IMCUZGWEWOOBNS-LBPRGKRZSA-N 1 0 295.452 2.935 50 0 CFAARO Brc1cccc(COC[C@@H]2CC[NH2+]C2)c1 ZINC000042773871 372954590 /nfs/dbraw/zinc/95/45/90/372954590.db2.gz SFMKIJQGXLNWNJ-LLVKDONJSA-N 1 0 270.170 2.575 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000044541175 373003959 /nfs/dbraw/zinc/00/39/59/373003959.db2.gz QFTCDHDONORPBB-GFCCVEGCSA-N 1 0 287.190 2.947 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000044542006 373007459 /nfs/dbraw/zinc/00/74/59/373007459.db2.gz RQEJGMOFTHIZSL-SNVBAGLBSA-N 1 0 287.190 2.947 50 0 CFAARO c1cc(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)co1 ZINC000044973932 373012570 /nfs/dbraw/zinc/01/25/70/373012570.db2.gz KQADPPDKSBLUPB-UHFFFAOYSA-N 1 0 297.314 2.688 50 0 CFAARO COCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000047190805 373081659 /nfs/dbraw/zinc/08/16/59/373081659.db2.gz XFBGPBLPUDBOSV-CYBMUJFWSA-N 1 0 276.380 2.646 50 0 CFAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000047218882 373084048 /nfs/dbraw/zinc/08/40/48/373084048.db2.gz QPYZZPNFCAIMLT-ZDUSSCGKSA-N 1 0 259.328 2.984 50 0 CFAARO O=C(NCCC1=CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000047653594 373112083 /nfs/dbraw/zinc/11/20/83/373112083.db2.gz HMASDJZJOLFMOF-UHFFFAOYSA-N 1 0 291.439 2.803 50 0 CFAARO c1ccc(N2CCN(CCC[NH2+]C3CCCC3)CC2)cc1 ZINC000047852778 373121774 /nfs/dbraw/zinc/12/17/74/373121774.db2.gz YXOJYJYIKKXFLQ-UHFFFAOYSA-N 1 0 287.451 2.731 50 0 CFAARO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000048364566 373170871 /nfs/dbraw/zinc/17/08/71/373170871.db2.gz PTULEAAPRCBBJK-GFCCVEGCSA-N 1 0 285.391 2.530 50 0 CFAARO COc1ccc(C[C@H]([NH3+])c2ccc(C)cn2)cc1OC ZINC000048622984 373208433 /nfs/dbraw/zinc/20/84/33/373208433.db2.gz PYDSGVQSZKYTIN-ZDUSSCGKSA-N 1 0 272.348 2.650 50 0 CFAARO CC(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000048920177 373231290 /nfs/dbraw/zinc/23/12/90/373231290.db2.gz KJUMQUAIEXQQOC-DZGCQCFKSA-N 1 0 260.381 2.594 50 0 CFAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccccn1 ZINC000048964668 373241657 /nfs/dbraw/zinc/24/16/57/373241657.db2.gz GCAAWMJSWQRTIB-UHFFFAOYSA-N 1 0 277.412 2.522 50 0 CFAARO NC(=O)[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccccc1 ZINC000049336653 373288972 /nfs/dbraw/zinc/28/89/72/373288972.db2.gz BQDAPRURBAYUTE-CYBMUJFWSA-N 1 0 294.807 2.760 50 0 CFAARO Cc1ccc(N(C)C(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000050008755 373339396 /nfs/dbraw/zinc/33/93/96/373339396.db2.gz FVINBAGBIVPLPR-OAHLLOKOSA-N 1 0 254.333 2.658 50 0 CFAARO CCCc1noc([C@@H](C)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000051952936 373420346 /nfs/dbraw/zinc/42/03/46/373420346.db2.gz IONBTRNKSPCEOT-CYBMUJFWSA-N 1 0 292.427 2.643 50 0 CFAARO Cc1cccc(C)c1OC1CC[NH+](CCCO)CC1 ZINC000051991532 373423220 /nfs/dbraw/zinc/42/32/20/373423220.db2.gz VTIYMHCDEYFALI-UHFFFAOYSA-N 1 0 263.381 2.529 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[N@H+](C)CCc1ccccc1 ZINC000051404524 373394229 /nfs/dbraw/zinc/39/42/29/373394229.db2.gz WENQOTYRIXSCAK-GOSISDBHSA-N 1 0 299.414 2.909 50 0 CFAARO CCc1ccccc1[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000052200612 373442848 /nfs/dbraw/zinc/44/28/48/373442848.db2.gz QMRUYZAQRFGBDT-ZDUSSCGKSA-N 1 0 264.369 2.774 50 0 CFAARO Cc1n[nH]c(C)c1NC(=O)C[NH+](CC(C)C)CC(C)C ZINC000052856014 373454218 /nfs/dbraw/zinc/45/42/18/373454218.db2.gz JXBGBLVLERTJEC-UHFFFAOYSA-N 1 0 280.416 2.579 50 0 CFAARO Nc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000052929230 373458747 /nfs/dbraw/zinc/45/87/47/373458747.db2.gz KGTKQCBBMYJSFD-UHFFFAOYSA-N 1 0 267.376 2.591 50 0 CFAARO CCOC(=O)CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000053399543 373477332 /nfs/dbraw/zinc/47/73/32/373477332.db2.gz XGPDPJDWDBKLNG-NSHDSACASA-N 1 0 253.367 2.838 50 0 CFAARO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000052074514 373434196 /nfs/dbraw/zinc/43/41/96/373434196.db2.gz NKXANMOSDVCCMR-LBPRGKRZSA-N 1 0 274.339 2.717 50 0 CFAARO Cc1ccccc1-c1noc(C[C@@H]2CCC[NH2+]C2)n1 ZINC000054301285 373513845 /nfs/dbraw/zinc/51/38/45/373513845.db2.gz GTYLXXSGFRYZBF-LBPRGKRZSA-N 1 0 257.337 2.587 50 0 CFAARO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cn1 ZINC000055314260 373545881 /nfs/dbraw/zinc/54/58/81/373545881.db2.gz NSDMALPNDOGRQV-UHFFFAOYSA-N 1 0 297.402 2.594 50 0 CFAARO CCCc1cn(C2CC[NH+](C[C@@H](C)CC)CC2)nn1 ZINC000055270715 373546292 /nfs/dbraw/zinc/54/62/92/373546292.db2.gz BJVZLKSONDJUSP-ZDUSSCGKSA-N 1 0 264.417 2.914 50 0 CFAARO C[NH2+][C@@H](C)C(=O)N(Cc1ccc(SC)cc1)C1CC1 ZINC000055252204 373547580 /nfs/dbraw/zinc/54/75/80/373547580.db2.gz ZPQZZJBTXSFQLL-NSHDSACASA-N 1 0 278.421 2.507 50 0 CFAARO CSc1ccc(CN(C(=O)[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000055383175 373548682 /nfs/dbraw/zinc/54/86/82/373548682.db2.gz QOKOBSJGDIBLPZ-OAHLLOKOSA-N 1 0 290.432 2.652 50 0 CFAARO Cc1cc(C)c(C)c(C(=O)NCCC[NH+](C)C)c1C ZINC000055360997 373549921 /nfs/dbraw/zinc/54/99/21/373549921.db2.gz KDTIHHVUJUHSFR-UHFFFAOYSA-N 1 0 262.397 2.602 50 0 CFAARO O=C(NC1CCCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000058223642 373634963 /nfs/dbraw/zinc/63/49/63/373634963.db2.gz GMQSRCYBHNBFMU-HNNXBMFYSA-N 1 0 279.428 2.589 50 0 CFAARO Cc1ccc2oc(C(=O)NCC[NH+]3CCCCC3)cc2c1 ZINC000058391565 373652173 /nfs/dbraw/zinc/65/21/73/373652173.db2.gz VWTNDAOAKVDWMC-UHFFFAOYSA-N 1 0 286.375 2.957 50 0 CFAARO CC(C)(C)OCCN1CCC([NH+]2CCCCC2)CC1 ZINC000058396353 373654262 /nfs/dbraw/zinc/65/42/62/373654262.db2.gz LRDKITBUCSRUGU-UHFFFAOYSA-N 1 0 268.445 2.752 50 0 CFAARO Cc1ccc(CNC(=[NH2+])NCc2ccccc2)cc1 ZINC000057887614 373617949 /nfs/dbraw/zinc/61/79/49/373617949.db2.gz WHARBMAHLYPSEF-UHFFFAOYSA-N 1 0 253.349 2.809 50 0 CFAARO CCOCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000058528031 373660285 /nfs/dbraw/zinc/66/02/85/373660285.db2.gz CZACLBLEJZEQJT-UHFFFAOYSA-N 1 0 269.410 2.885 50 0 CFAARO CC[NH+](CC)CCNC(=O)NC1CCCCCCC1 ZINC000059034841 373676125 /nfs/dbraw/zinc/67/61/25/373676125.db2.gz JQPXVGVHYWCQMI-UHFFFAOYSA-N 1 0 269.433 2.740 50 0 CFAARO C[NH2+][C@@H](C(=O)c1ccccc1)[C@H](OC)c1ccccc1 ZINC000059866366 373685498 /nfs/dbraw/zinc/68/54/98/373685498.db2.gz UZMATHAVBHQGGQ-DOTOQJQBSA-N 1 0 269.344 2.845 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)s1 ZINC000060567877 373699408 /nfs/dbraw/zinc/69/94/08/373699408.db2.gz VGTJFXIKZYBXKU-VHSXEESVSA-N 1 0 284.812 2.758 50 0 CFAARO Cc1ccccc1CN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611444 373721079 /nfs/dbraw/zinc/72/10/79/373721079.db2.gz MERJPZJEQAZMLZ-QGZVFWFLSA-N 1 0 282.387 2.696 50 0 CFAARO CCCCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000063120302 373785816 /nfs/dbraw/zinc/78/58/16/373785816.db2.gz XVHTZOWGBFQFRL-NSHDSACASA-N 1 0 259.353 2.764 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1 ZINC000063193246 373792779 /nfs/dbraw/zinc/79/27/79/373792779.db2.gz RMBASOVUGZZLBI-ZRNJWLGYSA-N 1 0 276.355 2.567 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000065512373 373881411 /nfs/dbraw/zinc/88/14/11/373881411.db2.gz DEPYWNBOZZUTRG-CQSZACIVSA-N 1 0 279.771 2.503 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000065522685 373881607 /nfs/dbraw/zinc/88/16/07/373881607.db2.gz HYWZOJJLPBIAGK-CQSZACIVSA-N 1 0 291.370 2.670 50 0 CFAARO Cc1oc(C(C)C)cc1C(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065526489 373882694 /nfs/dbraw/zinc/88/26/94/373882694.db2.gz DMWSEWYAGZFQPS-OLZOCXBDSA-N 1 0 276.380 2.678 50 0 CFAARO FC(F)Oc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000065541941 373884169 /nfs/dbraw/zinc/88/41/69/373884169.db2.gz XPWQYSMVJADMTH-CQSZACIVSA-N 1 0 296.361 2.958 50 0 CFAARO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccccc1-c1ccco1 ZINC000065533896 373884584 /nfs/dbraw/zinc/88/45/84/373884584.db2.gz WGFHZZHBJQCYGU-CYBMUJFWSA-N 1 0 286.375 2.855 50 0 CFAARO C[C@H](CC(=O)N(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000065626542 373897854 /nfs/dbraw/zinc/89/78/54/373897854.db2.gz AEWKUOSZNZFVID-CYBMUJFWSA-N 1 0 292.398 2.872 50 0 CFAARO Cc1oc(C(C)C)nc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000065293516 373854967 /nfs/dbraw/zinc/85/49/67/373854967.db2.gz LNRAPAMHZWPHND-LBPRGKRZSA-N 1 0 293.411 2.568 50 0 CFAARO C[C@@H](Cc1ccccn1)[N@H+](C)C1CCSCC1 ZINC000065370585 373858604 /nfs/dbraw/zinc/85/86/04/373858604.db2.gz IDLDVYLXHRCTIN-LBPRGKRZSA-N 1 0 250.411 2.840 50 0 CFAARO Cc1cnc(-c2nc(C3CC3)nn2-c2cc[nH+]cc2C)cn1 ZINC000065371029 373859392 /nfs/dbraw/zinc/85/93/92/373859392.db2.gz FQZJRLFQXQMQDJ-UHFFFAOYSA-N 1 0 292.346 2.614 50 0 CFAARO Cc1[nH+]c(N2CCCC2)nc(NCC[C@@H]2CCOC2)c1C ZINC000065366234 373859692 /nfs/dbraw/zinc/85/96/92/373859692.db2.gz ZQDJYSMVUBGWGF-CQSZACIVSA-N 1 0 290.411 2.532 50 0 CFAARO CCN(Cc1ccc(C(C)=O)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000065375409 373860441 /nfs/dbraw/zinc/86/04/41/373860441.db2.gz QTEHUXFSJCASEI-INIZCTEOSA-N 1 0 274.408 2.663 50 0 CFAARO C[C@@H](CCc1ccccc1)[NH2+]CCSc1c[nH]nn1 ZINC000065398019 373866106 /nfs/dbraw/zinc/86/61/06/373866106.db2.gz GAPVOTSQBOBUDA-LBPRGKRZSA-N 1 0 276.409 2.508 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@H](C)CC(C)(C)OC)c1C ZINC000065435937 373872522 /nfs/dbraw/zinc/87/25/22/373872522.db2.gz DJRKCMYEYYHDMM-LLVKDONJSA-N 1 0 267.417 2.813 50 0 CFAARO C[C@H](c1nccs1)N(C)C(=O)C[NH+]1CCCCCC1 ZINC000065451197 373873484 /nfs/dbraw/zinc/87/34/84/373873484.db2.gz CZZYIELFLRLMAS-GFCCVEGCSA-N 1 0 281.425 2.539 50 0 CFAARO C[C@H](C(=O)N(C)C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000066607081 373942390 /nfs/dbraw/zinc/94/23/90/373942390.db2.gz JFMMWUDURXRAQK-CYBMUJFWSA-N 1 0 299.418 2.824 50 0 CFAARO Cc1ccoc1C(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000067697033 373994961 /nfs/dbraw/zinc/99/49/61/373994961.db2.gz UNRSXLKILRRVAI-MRXNPFEDSA-N 1 0 298.386 2.807 50 0 CFAARO C[C@@H](C[NH+]1CCCCCC1)NCc1ccc2nonc2c1 ZINC000067773689 374002613 /nfs/dbraw/zinc/00/26/13/374002613.db2.gz PYVZLAHUVKMDDK-ZDUSSCGKSA-N 1 0 288.395 2.577 50 0 CFAARO Cc1nc(C(C)C)sc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000067804341 374004526 /nfs/dbraw/zinc/00/45/26/374004526.db2.gz RHLKNFBLBQJGDU-GFCCVEGCSA-N 1 0 295.452 2.647 50 0 CFAARO Cc1ccccc1CSCCN[C@@H]1CCC[NH2+]C1 ZINC000067817391 374004848 /nfs/dbraw/zinc/00/48/48/374004848.db2.gz LZLYOICKMKAPCO-OAHLLOKOSA-N 1 0 264.438 2.570 50 0 CFAARO CCOC(=O)[C@@]1(CCCc2ccccc2)CCC[NH2+]C1 ZINC000067879358 374012837 /nfs/dbraw/zinc/01/28/37/374012837.db2.gz KHMUPZPLNLZPJC-KRWDZBQOSA-N 1 0 275.392 2.942 50 0 CFAARO Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)o2)cc1 ZINC000067885185 374013967 /nfs/dbraw/zinc/01/39/67/374013967.db2.gz MUMZJRDBUNKYCR-AWEZNQCLSA-N 1 0 298.386 2.937 50 0 CFAARO Cc1n[nH]c(C)c1CCC[NH2+][C@H](C)CC(F)(F)F ZINC000067920807 374014933 /nfs/dbraw/zinc/01/49/33/374014933.db2.gz SPXFEYXQYQPIGN-MRVPVSSYSA-N 1 0 263.307 2.890 50 0 CFAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000067919919 374016182 /nfs/dbraw/zinc/01/61/82/374016182.db2.gz PDYHBFFIQUIRDQ-UHFFFAOYSA-N 1 0 281.783 2.815 50 0 CFAARO CC(C)c1cc(C2CC[NH+](Cc3cccnc3N)CC2)[nH]n1 ZINC000067974163 374018513 /nfs/dbraw/zinc/01/85/13/374018513.db2.gz NVYRJWRWSYWITM-UHFFFAOYSA-N 1 0 299.422 2.890 50 0 CFAARO FC(F)(F)CC[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000067649861 373988028 /nfs/dbraw/zinc/98/80/28/373988028.db2.gz KYFZXHCXGSZBBK-NSHDSACASA-N 1 0 261.291 2.548 50 0 CFAARO CC[C@H](C(=O)NCC1=CC[N@H+](C)CC1)c1ccccc1 ZINC000067689307 373991395 /nfs/dbraw/zinc/99/13/95/373991395.db2.gz YGFVJXQCIGJDNJ-INIZCTEOSA-N 1 0 272.392 2.558 50 0 CFAARO CCN(CC[NH+]1CCCC1)C(=O)C1C(C)(C)C1(C)C ZINC000067677371 373992260 /nfs/dbraw/zinc/99/22/60/373992260.db2.gz QKBQVZAGKBIJBJ-UHFFFAOYSA-N 1 0 266.429 2.613 50 0 CFAARO CC(C)C[C@H]1CN(CCCc2ccccc2)CC[NH2+]1 ZINC000068692914 374036230 /nfs/dbraw/zinc/03/62/30/374036230.db2.gz HNMXPIBGDPNBHL-KRWDZBQOSA-N 1 0 260.425 2.939 50 0 CFAARO Cc1ncc(C[N@H+](C)C[C@@H](O)c2ccccc2F)s1 ZINC000069347641 374055956 /nfs/dbraw/zinc/05/59/56/374055956.db2.gz XXNGFJIJPBXPLD-CQSZACIVSA-N 1 0 280.368 2.756 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H](C)n1cccn1 ZINC000069391872 374057175 /nfs/dbraw/zinc/05/71/75/374057175.db2.gz SILGLMGOKNJUMS-GJZGRUSLSA-N 1 0 295.390 2.808 50 0 CFAARO C[C@H]1CCCCN1C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000069415797 374060040 /nfs/dbraw/zinc/06/00/40/374060040.db2.gz DFHXZDJCJQCUMW-HOCLYGCPSA-N 1 0 274.408 2.560 50 0 CFAARO C[C@@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)[C@@H](C)n1cccn1 ZINC000069418029 374061023 /nfs/dbraw/zinc/06/10/23/374061023.db2.gz BNBWHRAEGRLRKO-VXGBXAGGSA-N 1 0 275.400 2.643 50 0 CFAARO O=[S@](CC[NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000069653453 374082989 /nfs/dbraw/zinc/08/29/89/374082989.db2.gz GTVSLMPHYDEQBK-FQEVSTJZSA-N 1 0 295.354 2.862 50 0 CFAARO CCCCc1noc([C@@H](C)N2CC[NH+](CCC)CC2)n1 ZINC000069583960 374076641 /nfs/dbraw/zinc/07/66/41/374076641.db2.gz UKFKIOVPDRQTIU-CYBMUJFWSA-N 1 0 280.416 2.501 50 0 CFAARO CC(C)c1nnc2n1C[C@@H](C[NH2+]Cc1ccsc1)CC2 ZINC000069585087 374076857 /nfs/dbraw/zinc/07/68/57/374076857.db2.gz ICDFEEFIXWDRLY-GFCCVEGCSA-N 1 0 290.436 2.815 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC2CCCC2)n1 ZINC000069582779 374076921 /nfs/dbraw/zinc/07/69/21/374076921.db2.gz MBEBWBSZRFLVLJ-HNNXBMFYSA-N 1 0 262.401 2.550 50 0 CFAARO CC(C)[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H](C)O ZINC000069900611 374109289 /nfs/dbraw/zinc/10/92/89/374109289.db2.gz AIVICZMIZQDHHR-GFCCVEGCSA-N 1 0 298.814 2.760 50 0 CFAARO COc1ccccc1/C=C/C[NH2+]CCn1cc(C)cn1 ZINC000069917889 374109432 /nfs/dbraw/zinc/10/94/32/374109432.db2.gz JLBCNUYHYZGFON-FNORWQNLSA-N 1 0 271.364 2.503 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2cnc(C(C)(C)C)s2)c1 ZINC000069969409 374112496 /nfs/dbraw/zinc/11/24/96/374112496.db2.gz INHFHNUKFWVBKT-UHFFFAOYSA-N 1 0 278.425 2.735 50 0 CFAARO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000070149093 374130462 /nfs/dbraw/zinc/13/04/62/374130462.db2.gz BVCNQFUAIWCMLV-NSHDSACASA-N 1 0 284.762 2.823 50 0 CFAARO c1ncn(C[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000069843713 374105214 /nfs/dbraw/zinc/10/52/14/374105214.db2.gz XDKPFPAGVWREFR-QGZVFWFLSA-N 1 0 284.407 2.623 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000069899376 374106627 /nfs/dbraw/zinc/10/66/27/374106627.db2.gz DTVAILRFEDWXBT-KBPBESRZSA-N 1 0 295.814 2.757 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2cc3ccccc3o2)c1 ZINC000069899927 374106689 /nfs/dbraw/zinc/10/66/89/374106689.db2.gz MLCFPLIXSBBQPO-UHFFFAOYSA-N 1 0 255.321 2.728 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c(OC)c1 ZINC000070328000 374167342 /nfs/dbraw/zinc/16/73/42/374167342.db2.gz SZSWWPXNLYBMPL-ZIAGYGMSSA-N 1 0 279.380 2.751 50 0 CFAARO [NH3+]C1(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000071753099 374222247 /nfs/dbraw/zinc/22/22/47/374222247.db2.gz SVNFCWLSSZNRCR-LBPRGKRZSA-N 1 0 278.783 2.537 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1c(C)c(C)cc(C)c1C ZINC000071772744 374223679 /nfs/dbraw/zinc/22/36/79/374223679.db2.gz QJDSDZQQLPTOIM-UHFFFAOYSA-N 1 0 276.424 2.992 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccc(C)cc1)N(C)C ZINC000071837266 374227245 /nfs/dbraw/zinc/22/72/45/374227245.db2.gz LHQWWJVTAPHMMH-KRWDZBQOSA-N 1 0 286.423 2.727 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNCc2c[nH]nc2C(C)(C)C)C1 ZINC000071837282 374227856 /nfs/dbraw/zinc/22/78/56/374227856.db2.gz ZVJRQTRVZLVVTM-ZDUSSCGKSA-N 1 0 278.444 2.527 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000071825356 374227886 /nfs/dbraw/zinc/22/78/86/374227886.db2.gz QPSFTZYPQNCMLM-ZDUSSCGKSA-N 1 0 277.755 2.985 50 0 CFAARO COC[C@@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072421962 374251966 /nfs/dbraw/zinc/25/19/66/374251966.db2.gz PTPVRRHTRRVSKZ-QGZVFWFLSA-N 1 0 291.435 2.858 50 0 CFAARO CO[C@@H]1CC[N@H+](Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072475017 374256433 /nfs/dbraw/zinc/25/64/33/374256433.db2.gz KJBGHHWBVSQIOW-MRXNPFEDSA-N 1 0 277.408 2.611 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2nc3ccccc3nc2C)c1 ZINC000072267520 374237587 /nfs/dbraw/zinc/23/75/87/374237587.db2.gz LYXLMWPJDSDGTH-ZDUSSCGKSA-N 1 0 295.390 2.621 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cnc(C)cn2)n1 ZINC000072253292 374238422 /nfs/dbraw/zinc/23/84/22/374238422.db2.gz YIUSGYYVCJDQDY-KRWDZBQOSA-N 1 0 299.422 2.653 50 0 CFAARO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)c3ccncc3)C2)no1 ZINC000072277655 374240169 /nfs/dbraw/zinc/24/01/69/374240169.db2.gz BTCSETGEUFDXNL-FZMZJTMJSA-N 1 0 272.352 2.714 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)o1 ZINC000072300518 374243786 /nfs/dbraw/zinc/24/37/86/374243786.db2.gz GLXCJJLWZCLTEC-SWLSCSKDSA-N 1 0 278.396 2.571 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cncc(F)c1 ZINC000248729840 189952483 /nfs/dbraw/zinc/95/24/83/189952483.db2.gz OGOYOIRALYDIKH-QOWREQOWSA-N 1 0 276.355 2.829 50 0 CFAARO CC[C@H]1C[N@H+](CCS(C)(=O)=O)CC[C@@H]1c1ccccc1 ZINC000074798404 374437635 /nfs/dbraw/zinc/43/76/35/374437635.db2.gz AFNFSUOLXPKCRW-HOCLYGCPSA-N 1 0 295.448 2.547 50 0 CFAARO C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccccn1 ZINC000075572690 374493216 /nfs/dbraw/zinc/49/32/16/374493216.db2.gz IBAOPIIMAWHYRW-GFCCVEGCSA-N 1 0 252.321 2.580 50 0 CFAARO C[N@H+](Cc1ccncc1)[C@H](CCO)c1ccccc1 ZINC000075900104 374511495 /nfs/dbraw/zinc/51/14/95/374511495.db2.gz ZKBISAVJZIRUTJ-MRXNPFEDSA-N 1 0 256.349 2.637 50 0 CFAARO CC[C@H](C)NC(=O)CC[NH2+]CC1CCCCCC1 ZINC000076042759 374524775 /nfs/dbraw/zinc/52/47/75/374524775.db2.gz MQJGEBOPWTWWQL-ZDUSSCGKSA-N 1 0 254.418 2.851 50 0 CFAARO CCCC[NH+]1CCC(Nc2cncc(Cl)n2)CC1 ZINC000076062355 374527185 /nfs/dbraw/zinc/52/71/85/374527185.db2.gz KTJKQYIERKIGJD-UHFFFAOYSA-N 1 0 268.792 2.806 50 0 CFAARO CC(C)[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CCOCC1 ZINC000077323794 374562632 /nfs/dbraw/zinc/56/26/32/374562632.db2.gz GOXLWVDPLJJINO-HOCLYGCPSA-N 1 0 296.455 2.571 50 0 CFAARO Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000078950270 374576768 /nfs/dbraw/zinc/57/67/68/374576768.db2.gz MCELIRJKBGHNNR-IAGOWNOFSA-N 1 0 288.435 2.710 50 0 CFAARO Cc1cc(=O)c(O)c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000079480469 374616726 /nfs/dbraw/zinc/61/67/26/374616726.db2.gz RIICMDWTTQRFIF-CQSZACIVSA-N 1 0 285.343 2.643 50 0 CFAARO C[C@@H]1C[C@H](NCc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338426 374651321 /nfs/dbraw/zinc/65/13/21/374651321.db2.gz YNSJKKNVCACIEU-GDBMZVCRSA-N 1 0 284.407 2.552 50 0 CFAARO CCc1nc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)cs1 ZINC000083830328 374757050 /nfs/dbraw/zinc/75/70/50/374757050.db2.gz YIHGFOGZAIWWJI-GFCCVEGCSA-N 1 0 290.436 2.878 50 0 CFAARO Cn1ccnc1[C@H]1CCC[N@H+](CCC(F)(F)C(F)F)C1 ZINC000082126036 374728866 /nfs/dbraw/zinc/72/88/66/374728866.db2.gz HOKGVTQSOWWBDJ-JTQLQIEISA-N 1 0 293.308 2.890 50 0 CFAARO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC000084199786 374768498 /nfs/dbraw/zinc/76/84/98/374768498.db2.gz UVYCPHYYJKMEAN-SNVBAGLBSA-N 1 0 296.333 2.880 50 0 CFAARO C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CN1Cc1ccccc1 ZINC000084686469 374787513 /nfs/dbraw/zinc/78/75/13/374787513.db2.gz ZYVVPHVLBUQSDH-FQXVJMBOSA-N 1 0 288.435 2.543 50 0 CFAARO CCCC[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000084744490 374789403 /nfs/dbraw/zinc/78/94/03/374789403.db2.gz MLRBBZKRTHMLLM-UHFFFAOYSA-N 1 0 293.407 2.913 50 0 CFAARO Cc1ccsc1CN(C)c1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000252537017 189981277 /nfs/dbraw/zinc/98/12/77/189981277.db2.gz KELQVKSAYLFISS-HAQNSBGRSA-N 1 0 288.420 2.688 50 0 CFAARO COCn1c[n+](Cc2ccccc2)c2ccccc21 ZINC000252509087 189979729 /nfs/dbraw/zinc/97/97/29/189979729.db2.gz YCFDDPVGWWUASR-UHFFFAOYSA-N 1 0 253.325 2.581 50 0 CFAARO OCC[N@H+](C/C=C/c1ccccc1)Cc1cccnc1 ZINC000089821399 374958215 /nfs/dbraw/zinc/95/82/15/374958215.db2.gz HQBKXSPSPBXOMU-WEVVVXLNSA-N 1 0 268.360 2.589 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc2ccccc21 ZINC000089873174 374962723 /nfs/dbraw/zinc/96/27/23/374962723.db2.gz YVIWKCGIDZXAPY-CQSZACIVSA-N 1 0 280.371 2.806 50 0 CFAARO Cc1ccccc1C[C@H](C)[NH2+]Cc1nncn1C(C)C ZINC000090038339 374988400 /nfs/dbraw/zinc/98/84/00/374988400.db2.gz NCUKFNWJHSBBHK-AWEZNQCLSA-N 1 0 272.396 2.888 50 0 CFAARO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)o1 ZINC000090454982 375015632 /nfs/dbraw/zinc/01/56/32/375015632.db2.gz SVHSJPOYIJAHET-CMPLNLGQSA-N 1 0 259.353 2.773 50 0 CFAARO CC1(C)C[C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C(C)(C)O1 ZINC000090801738 375030158 /nfs/dbraw/zinc/03/01/58/375030158.db2.gz PJGYASRRFIRTFZ-KGLIPLIRSA-N 1 0 289.423 2.596 50 0 CFAARO C[C@H](CO)[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091306112 375048022 /nfs/dbraw/zinc/04/80/22/375048022.db2.gz YWZBTMJOSSVMES-NOZJJQNGSA-N 1 0 284.197 2.871 50 0 CFAARO CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000092705547 375139452 /nfs/dbraw/zinc/13/94/52/375139452.db2.gz MHNLRJXBXCEBJJ-HNNXBMFYSA-N 1 0 278.371 2.625 50 0 CFAARO COc1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)s1 ZINC000092809087 375158501 /nfs/dbraw/zinc/15/85/01/375158501.db2.gz JJZPYKVLUQQJJR-UHFFFAOYSA-N 1 0 291.420 2.870 50 0 CFAARO CCSC[C@H](C)[N@H+](C)Cc1nc(C)ccc1O ZINC000093739306 375305035 /nfs/dbraw/zinc/30/50/35/375305035.db2.gz GULJPBFXLMPJTE-NSHDSACASA-N 1 0 254.399 2.669 50 0 CFAARO CCn1cc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cn1 ZINC000093593096 375271814 /nfs/dbraw/zinc/27/18/14/375271814.db2.gz ACEDYKOKFQBWDK-HNNXBMFYSA-N 1 0 285.391 2.901 50 0 CFAARO CCCN(Cc1ccccc1)C(=O)CC1([NH3+])CCC1 ZINC000094293609 375349299 /nfs/dbraw/zinc/34/92/99/375349299.db2.gz ITLXOYWINWPYAB-UHFFFAOYSA-N 1 0 260.381 2.697 50 0 CFAARO CC[C@H]1CC[C@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000095468612 375459711 /nfs/dbraw/zinc/45/97/11/375459711.db2.gz AXUNLKZTXVJGJF-RDJZCZTQSA-N 1 0 273.424 2.778 50 0 CFAARO Cc1onc(-c2ccccc2)c1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000095354529 375417974 /nfs/dbraw/zinc/41/79/74/375417974.db2.gz OKTLPUIHLZCRTN-UHFFFAOYSA-N 1 0 280.331 2.686 50 0 CFAARO CC(C)c1cc(NC[C@@H](C(C)C)[NH+](C)C)ncn1 ZINC000095362634 375421667 /nfs/dbraw/zinc/42/16/67/375421667.db2.gz QVWRZGVUXKBABB-ZDUSSCGKSA-N 1 0 250.390 2.598 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCn1c(=O)ccc2ccccc21 ZINC000095378635 375424747 /nfs/dbraw/zinc/42/47/47/375424747.db2.gz JJJVAGXTCZXELK-HNNXBMFYSA-N 1 0 270.376 2.876 50 0 CFAARO Cc1nc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)sc1C ZINC000095384188 375426692 /nfs/dbraw/zinc/42/66/92/375426692.db2.gz AXYHRWYJWTYNOC-ZDUSSCGKSA-N 1 0 295.452 2.641 50 0 CFAARO Cc1nc2ccsc2c(N[C@H]2C[NH+]3CCC2CC3)n1 ZINC000095392204 375428865 /nfs/dbraw/zinc/42/88/65/375428865.db2.gz DKPVMFFICBGLLG-LBPRGKRZSA-N 1 0 274.393 2.506 50 0 CFAARO CC(C)COc1cccc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000095391602 375429058 /nfs/dbraw/zinc/42/90/58/375429058.db2.gz AVKXBYWVFYTEKT-UHFFFAOYSA-N 1 0 271.364 2.757 50 0 CFAARO Fc1ccc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)nc1 ZINC000096138148 375470572 /nfs/dbraw/zinc/47/05/72/375470572.db2.gz WGTKAQZQSWHFKB-AWEZNQCLSA-N 1 0 277.387 2.923 50 0 CFAARO CC(C)c1nsc(NC[C@@H](c2cccnc2)[NH+](C)C)n1 ZINC000095408669 375435015 /nfs/dbraw/zinc/43/50/15/375435015.db2.gz JOPKZSPCEXSZSV-LBPRGKRZSA-N 1 0 291.424 2.771 50 0 CFAARO OCCC1([NH2+]Cc2cc3ccccc3s2)CCOCC1 ZINC000095416740 375437726 /nfs/dbraw/zinc/43/77/26/375437726.db2.gz RBIIBVYOGNLXJL-UHFFFAOYSA-N 1 0 291.416 2.923 50 0 CFAARO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000095419378 375439377 /nfs/dbraw/zinc/43/93/77/375439377.db2.gz PJHZEFPWOSJAHC-VXGBXAGGSA-N 1 0 290.329 2.827 50 0 CFAARO OC1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000095419133 375439440 /nfs/dbraw/zinc/43/94/40/375439440.db2.gz YSXYMAXUQSPUFJ-SSDMNJCBSA-N 1 0 261.365 2.793 50 0 CFAARO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000095421618 375440195 /nfs/dbraw/zinc/44/01/95/375440195.db2.gz UXTOEIXKOOMSFG-TZMCWYRMSA-N 1 0 292.379 2.577 50 0 CFAARO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2cccnc2)c1 ZINC000095422445 375441168 /nfs/dbraw/zinc/44/11/68/375441168.db2.gz VLYHRRYAVRIBIX-ZDUSSCGKSA-N 1 0 299.374 2.770 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C ZINC000095423704 375442574 /nfs/dbraw/zinc/44/25/74/375442574.db2.gz QWLFSMDGEIANED-AVGNSLFASA-N 1 0 262.401 2.844 50 0 CFAARO O=C(NC1CC1)[C@@H]1CCC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095422590 375442788 /nfs/dbraw/zinc/44/27/88/375442788.db2.gz BKUGZYYBWJRYOW-NVXWUHKLSA-N 1 0 298.430 2.581 50 0 CFAARO C[NH+](C)Cc1ccnc(NCc2ccc3c(c2)OCCO3)c1 ZINC000095428435 375444248 /nfs/dbraw/zinc/44/42/48/375444248.db2.gz WIJAUFWBQNZQBM-UHFFFAOYSA-N 1 0 299.374 2.527 50 0 CFAARO C[C@H](CCSc1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000095430714 375445600 /nfs/dbraw/zinc/44/56/00/375445600.db2.gz QOOUGLHYKBEGKC-KGLIPLIRSA-N 1 0 265.422 2.872 50 0 CFAARO CSCC[C@@H](C)[N@H+](C)Cc1cn2c(n1)nc(C)cc2C ZINC000095432014 375446860 /nfs/dbraw/zinc/44/68/60/375446860.db2.gz 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BGMZXPBIYCGUCM-UHFFFAOYSA-N 1 0 259.353 2.544 50 0 CFAARO Cn1cc(C[NH2+]Cc2ccccc2F)c(-c2ccncc2)n1 ZINC000097159750 375534343 /nfs/dbraw/zinc/53/43/43/375534343.db2.gz MUSWIYKBCZXHCD-UHFFFAOYSA-N 1 0 296.349 2.911 50 0 CFAARO c1n[nH]cc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000097203308 375539344 /nfs/dbraw/zinc/53/93/44/375539344.db2.gz LCDYYKAKVUBGFQ-UHFFFAOYSA-N 1 0 255.365 2.832 50 0 CFAARO C[C@@H]([NH2+]CCSCC(C)(C)O)c1cccs1 ZINC000096477823 375488813 /nfs/dbraw/zinc/48/88/13/375488813.db2.gz XKEZMCXYSPFLQI-SNVBAGLBSA-N 1 0 259.440 2.903 50 0 CFAARO C/C=C/C=C\C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC000096983301 375497027 /nfs/dbraw/zinc/49/70/27/375497027.db2.gz KGTDDHVKEIFSCQ-DEQVHDEQSA-N 1 0 299.418 2.818 50 0 CFAARO CO[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccc(F)cc1 ZINC000097084616 375512378 /nfs/dbraw/zinc/51/23/78/375512378.db2.gz YPFBXAAXELWZEN-KGLIPLIRSA-N 1 0 269.385 2.998 50 0 CFAARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095367 375515176 /nfs/dbraw/zinc/51/51/76/375515176.db2.gz PPWORVYBTCTFMN-CHWSQXEVSA-N 1 0 258.365 2.761 50 0 CFAARO CC(C)([NH2+]CCOCC(F)F)c1cccc(F)c1 ZINC000097105183 375519610 /nfs/dbraw/zinc/51/96/10/375519610.db2.gz IQSUZYXZXYUZJJ-UHFFFAOYSA-N 1 0 261.287 2.932 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1cccc(F)c1 ZINC000097107605 375519786 /nfs/dbraw/zinc/51/97/86/375519786.db2.gz ZPVQWWFWPSTENF-QIAWRQBBSA-N 1 0 290.382 2.830 50 0 CFAARO CN(C)C(=O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000097110731 375521571 /nfs/dbraw/zinc/52/15/71/375521571.db2.gz JIARDGGCOFZTIQ-AWEZNQCLSA-N 1 0 288.416 2.710 50 0 CFAARO C[N@H+](CCc1ccncc1)Cc1ccc(-n2cccn2)cc1 ZINC000097109633 375522140 /nfs/dbraw/zinc/52/21/40/375522140.db2.gz RQJNVVCDFANBLC-UHFFFAOYSA-N 1 0 292.386 2.942 50 0 CFAARO Cc1cnc([C@@H](C)[NH2+]CCN2CCCCC2)s1 ZINC000097112403 375522576 /nfs/dbraw/zinc/52/25/76/375522576.db2.gz XXUOOEAQEJIYSP-GFCCVEGCSA-N 1 0 253.415 2.588 50 0 CFAARO CC(C)c1csc(CN2CCC[C@H]([NH3+])CC2)n1 ZINC000097243957 375545078 /nfs/dbraw/zinc/54/50/78/375545078.db2.gz NXZGSCRNCPRVQI-NSHDSACASA-N 1 0 253.415 2.580 50 0 CFAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000097139202 375527854 /nfs/dbraw/zinc/52/78/54/375527854.db2.gz TUVVMUPIHSCSPM-CYBMUJFWSA-N 1 0 275.421 2.936 50 0 CFAARO O[C@@H](C[NH2+][C@@H](c1cc(F)ccc1F)C1CC1)C(F)(F)F ZINC000097141846 375529087 /nfs/dbraw/zinc/52/90/87/375529087.db2.gz WFOWRQDTKBARIV-NWDGAFQWSA-N 1 0 295.251 2.929 50 0 CFAARO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000097373441 375553224 /nfs/dbraw/zinc/55/32/24/375553224.db2.gz CBIFMGBZDDHJKC-SNVBAGLBSA-N 1 0 291.420 2.719 50 0 CFAARO CCOc1ccccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000097446992 375563451 /nfs/dbraw/zinc/56/34/51/375563451.db2.gz CRJGJMKZGDDSAE-INIZCTEOSA-N 1 0 274.408 2.755 50 0 CFAARO CCSc1ncc(C[N@H+](C)C2CCSCC2)cn1 ZINC000097475617 375565127 /nfs/dbraw/zinc/56/51/27/375565127.db2.gz SWXDHLDGSGYMKX-UHFFFAOYSA-N 1 0 283.466 2.916 50 0 CFAARO OCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000097495125 375566814 /nfs/dbraw/zinc/56/68/14/375566814.db2.gz XBDUBTFBMYRHGE-NSHDSACASA-N 1 0 257.736 2.826 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(F)c(Cl)c1 ZINC000097546602 375568161 /nfs/dbraw/zinc/56/81/61/375568161.db2.gz REKWXBCQOTZUTI-CQSZACIVSA-N 1 0 298.789 2.970 50 0 CFAARO Cc1cc(C)n(-c2cccc(-c3nc4c([nH]3)C[NH2+]CC4)c2)n1 ZINC000097632186 375574969 /nfs/dbraw/zinc/57/49/69/375574969.db2.gz VWFBSLAAQCDILE-UHFFFAOYSA-N 1 0 293.374 2.525 50 0 CFAARO CCCn1ncc(CN2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000097711771 375579048 /nfs/dbraw/zinc/57/90/48/375579048.db2.gz PZXCMGHPSLMROX-MRXNPFEDSA-N 1 0 278.444 2.518 50 0 CFAARO OCC[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000097730252 375582661 /nfs/dbraw/zinc/58/26/61/375582661.db2.gz RIHMXPXUADLEKO-HNNXBMFYSA-N 1 0 256.349 2.582 50 0 CFAARO COCCOc1ccc(-c2ccc(C[NH+](C)C)cn2)cc1 ZINC000097775750 375583507 /nfs/dbraw/zinc/58/35/07/375583507.db2.gz VRVJEORCRPPVAE-UHFFFAOYSA-N 1 0 286.375 2.835 50 0 CFAARO O=C(C[C@@H]1CC[NH2+]C1)NCc1cccc(-c2ccccc2)c1 ZINC000097757833 375584421 /nfs/dbraw/zinc/58/44/21/375584421.db2.gz LHWWGMZNVBLZPJ-INIZCTEOSA-N 1 0 294.398 2.969 50 0 CFAARO CCOC(C[N@H+](C)Cc1ccc(F)cc1)OCC ZINC000098174926 375608977 /nfs/dbraw/zinc/60/89/77/375608977.db2.gz BEKKFJKUWCSZSO-UHFFFAOYSA-N 1 0 255.333 2.657 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000105934194 375794944 /nfs/dbraw/zinc/79/49/44/375794944.db2.gz RGQRAWRYHIBTIL-SOUVJXGZSA-N 1 0 266.429 2.755 50 0 CFAARO COc1c(C)cnc(C[N@H+](C)CCc2ccncc2)c1C ZINC000121616348 376871016 /nfs/dbraw/zinc/87/10/16/376871016.db2.gz CFYIXZJVSAMAHX-UHFFFAOYSA-N 1 0 285.391 2.777 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCOC2)CC1 ZINC000133830279 377960622 /nfs/dbraw/zinc/96/06/22/377960622.db2.gz OESHBXMNIXVRJJ-ZIAGYGMSSA-N 1 0 298.427 2.545 50 0 CFAARO CC[C@H](N[C@@H]1CCCc2sccc21)C(=O)OC ZINC000134975264 378070428 /nfs/dbraw/zinc/07/04/28/378070428.db2.gz SULNIEUJXIJKLX-WDEREUQCSA-N 1 0 253.367 2.667 50 0 CFAARO c1csc(CN2CC[NH+](C3CCCCC3)CC2)n1 ZINC000135160332 378093325 /nfs/dbraw/zinc/09/33/25/378093325.db2.gz QAABVMMEJULJHK-UHFFFAOYSA-N 1 0 265.426 2.593 50 0 CFAARO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000136132777 378182371 /nfs/dbraw/zinc/18/23/71/378182371.db2.gz HJZHMKBHCYHNOF-LBPRGKRZSA-N 1 0 253.773 2.853 50 0 CFAARO C[C@H](C[NH2+]Cc1nnc2ccccn21)Cc1ccccc1 ZINC000153359574 378487660 /nfs/dbraw/zinc/48/76/60/378487660.db2.gz OCSGAOGRYDWASK-AWEZNQCLSA-N 1 0 280.375 2.698 50 0 CFAARO Cc1ccncc1N1CC[NH+](CCCCCF)CC1 ZINC000330031927 378520119 /nfs/dbraw/zinc/52/01/19/378520119.db2.gz GBNKFQYSYGGYFX-UHFFFAOYSA-N 1 0 265.376 2.652 50 0 CFAARO CC[C@H](NCC[N@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000157405791 378654141 /nfs/dbraw/zinc/65/41/41/378654141.db2.gz BSZAFSYOHRMJPC-INIZCTEOSA-N 1 0 278.444 2.725 50 0 CFAARO OC[C@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000163095996 378953936 /nfs/dbraw/zinc/95/39/36/378953936.db2.gz XAYAAPGAPBTTDZ-AWEZNQCLSA-N 1 0 277.314 2.831 50 0 CFAARO Cn1c(SCCC[NH+]2CCCCC2)nnc1C(F)F ZINC000170604491 379126497 /nfs/dbraw/zinc/12/64/97/379126497.db2.gz XIXBRUPZXKOBHR-UHFFFAOYSA-N 1 0 290.383 2.721 50 0 CFAARO Cn1c(C(=O)NCC[NH+]2CCCC2)ccc1-c1ccccc1 ZINC000172979257 379681042 /nfs/dbraw/zinc/68/10/42/379681042.db2.gz PSBAKEASWOFWPY-UHFFFAOYSA-N 1 0 297.402 2.518 50 0 CFAARO c1ccc(CN(CC2=[NH+]CCN2)c2ccccc2)cc1 ZINC000000057204 169520825 /nfs/dbraw/zinc/52/08/25/169520825.db2.gz REYFJDPCWQRWAA-UHFFFAOYSA-N 1 0 265.360 2.695 50 0 world CFAARO Cc1cccn2c(C[NH2+][C@@H]3CCCSC3)cnc12 ZINC000336617304 380555720 /nfs/dbraw/zinc/55/57/20/380555720.db2.gz ZNUGUMLOINIPJW-GFCCVEGCSA-N 1 0 261.394 2.628 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000409420845 380959148 /nfs/dbraw/zinc/95/91/48/380959148.db2.gz QBHMGAQZSNODFF-INIZCTEOSA-N 1 0 283.375 2.896 50 0 CFAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)c2ccoc2)CC1 ZINC000409420897 380959286 /nfs/dbraw/zinc/95/92/86/380959286.db2.gz ATLGZIQXTCJHRF-UHFFFAOYSA-N 1 0 273.336 2.570 50 0 CFAARO COCc1ccc(COC(=O)C[C@@H](C[NH3+])CC(C)C)cc1 ZINC000408525643 380942952 /nfs/dbraw/zinc/94/29/52/380942952.db2.gz NFSMUWWNYOGQNT-INIZCTEOSA-N 1 0 293.407 2.887 50 0 CFAARO [NH3+]C1(CNC(=O)c2ccc(Oc3ccccc3)o2)CCC1 ZINC000342585199 381415562 /nfs/dbraw/zinc/41/55/62/381415562.db2.gz IZXNELLALOKKQA-UHFFFAOYSA-N 1 0 286.331 2.683 50 0 CFAARO CCOC(=O)N1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000000221628 169579663 /nfs/dbraw/zinc/57/96/63/169579663.db2.gz PEZDRLZDUUSZNR-UHFFFAOYSA-N 1 0 294.370 2.579 50 0 CFAARO Cn1nccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299611469 382004675 /nfs/dbraw/zinc/00/46/75/382004675.db2.gz YIZPYYGBJPBDFU-UHFFFAOYSA-N 1 0 298.390 2.658 50 0 CFAARO CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC000357089638 382004868 /nfs/dbraw/zinc/00/48/68/382004868.db2.gz SRNUZAFYWRUTCL-STQMWFEESA-N 1 0 252.402 2.508 50 0 CFAARO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000186690944 381984835 /nfs/dbraw/zinc/98/48/35/381984835.db2.gz VUFOGACDOZQUEG-BXKDBHETSA-N 1 0 292.379 2.768 50 0 CFAARO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000186690927 381985724 /nfs/dbraw/zinc/98/57/24/381985724.db2.gz VUFOGACDOZQUEG-CABZTGNLSA-N 1 0 292.379 2.768 50 0 CFAARO CC(C)[N@@H+]1CCOc2ccc([C@H](O)c3ccncc3)cc2C1 ZINC000299768796 382043761 /nfs/dbraw/zinc/04/37/61/382043761.db2.gz KOFWCMTVMFXCRH-GOSISDBHSA-N 1 0 298.386 2.766 50 0 CFAARO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c(F)c1 ZINC000377561868 382293395 /nfs/dbraw/zinc/29/33/95/382293395.db2.gz IFSJYTULRXNUHX-DGCLKSJQSA-N 1 0 294.370 2.940 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)s1 ZINC000188402429 382407985 /nfs/dbraw/zinc/40/79/85/382407985.db2.gz XGTFTGDVLAOFBS-ZDUSSCGKSA-N 1 0 261.394 2.918 50 0 CFAARO Cc1ccsc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188409379 382409805 /nfs/dbraw/zinc/40/98/05/382409805.db2.gz AOLIHXBLYQZVGF-CYBMUJFWSA-N 1 0 261.394 2.918 50 0 CFAARO CSCc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000188724900 382464646 /nfs/dbraw/zinc/46/46/46/382464646.db2.gz MYDRCNHZQIVZIS-FZMZJTMJSA-N 1 0 251.395 2.817 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000328596365 382551798 /nfs/dbraw/zinc/55/17/98/382551798.db2.gz JSOUXMZJVOEGJR-OKPNEXGHSA-N 1 0 298.839 2.873 50 0 CFAARO c1ccc(C[C@H]2CC[C@@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000189514012 382618566 /nfs/dbraw/zinc/61/85/66/382618566.db2.gz NBKRKJWEXWJOPV-NVXWUHKLSA-N 1 0 267.376 2.978 50 0 CFAARO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC=CC1 ZINC000193797996 382725948 /nfs/dbraw/zinc/72/59/48/382725948.db2.gz KNKKONAIGWZHEL-MRXNPFEDSA-N 1 0 284.403 2.591 50 0 CFAARO COC[C@H]([NH2+]CCc1ccnn1C)c1ccc(Cl)cc1 ZINC000194177336 382736796 /nfs/dbraw/zinc/73/67/96/382736796.db2.gz UJYYGJCTQJWCKY-HNNXBMFYSA-N 1 0 293.798 2.593 50 0 CFAARO C1=CO[C@@H](C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000194047538 382733469 /nfs/dbraw/zinc/73/34/69/382733469.db2.gz DUNZPVYKNSQESN-IAGOWNOFSA-N 1 0 295.423 2.729 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CO)c1cc(Br)cs1 ZINC000194061004 382734037 /nfs/dbraw/zinc/73/40/37/382734037.db2.gz VQUAZPZNVWOREO-NKWVEPMBSA-N 1 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/nfs/dbraw/zinc/78/19/13/382781913.db2.gz GIESYJRNSCSCOX-UHFFFAOYSA-N 1 0 271.364 2.539 50 0 CFAARO CN(Cc1ccc2cc(O)ccc2c1)Cc1cnccn1 ZINC000216185598 382782004 /nfs/dbraw/zinc/78/20/04/382782004.db2.gz MXNXVKZROKBTGR-UHFFFAOYSA-N 1 0 279.343 2.967 50 0 CFAARO COc1cc(C[N@H+](C)CCCn2cccn2)ccc1F ZINC000216247685 382782510 /nfs/dbraw/zinc/78/25/10/382782510.db2.gz YQICSSAXOLQKAL-UHFFFAOYSA-N 1 0 277.343 2.553 50 0 CFAARO CSc1ccc(C(=O)N(C)C[C@]2(C)CC[N@H+](C)C2)cc1 ZINC000218813042 382790970 /nfs/dbraw/zinc/79/09/70/382790970.db2.gz VPRCTMUGZSNBHB-MRXNPFEDSA-N 1 0 292.448 2.822 50 0 CFAARO CCNC(=O)C(C)(C)C[NH2+]C[C@@H](C)c1ccccc1 ZINC000194525026 382746867 /nfs/dbraw/zinc/74/68/67/382746867.db2.gz NMDIONLZPSWSNS-CYBMUJFWSA-N 1 0 262.397 2.542 50 0 CFAARO CCO[C@H](C)C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000220301117 382795951 /nfs/dbraw/zinc/79/59/51/382795951.db2.gz DPEFLRSZANNBAW-LLVKDONJSA-N 1 0 263.341 2.527 50 0 CFAARO Cc1ccsc1CCNc1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000220731816 382796806 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Cc1cc(NC(=O)[C@H]2CCC[NH2+]2)ccc1Oc1cccnc1 ZINC000225516590 382817796 /nfs/dbraw/zinc/81/77/96/382817796.db2.gz APWWVTDIEBFUDT-OAHLLOKOSA-N 1 0 297.358 2.873 50 0 CFAARO CC1(C)[C@H]([NH2+][C@H]2CCc3ncnn3C2)C[C@@H]1c1ccccc1 ZINC000225611600 382818940 /nfs/dbraw/zinc/81/89/40/382818940.db2.gz VUECLIOGQMGFQB-ARFHVFGLSA-N 1 0 296.418 2.765 50 0 CFAARO CN(C(=O)c1cc(Cl)sc1Cl)C1CC[NH2+]CC1 ZINC000226206806 382825316 /nfs/dbraw/zinc/82/53/16/382825316.db2.gz DAAUAMKYUMSQFN-UHFFFAOYSA-N 1 0 293.219 2.879 50 0 CFAARO Cc1cccc(C2(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000229394943 382851526 /nfs/dbraw/zinc/85/15/26/382851526.db2.gz YBMDOAUFRURFGB-SJORKVTESA-N 1 0 298.430 2.770 50 0 CFAARO C[NH+](C)CCC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000226762375 382831772 /nfs/dbraw/zinc/83/17/72/382831772.db2.gz ZLITYWWXZDVROW-UHFFFAOYSA-N 1 0 279.723 2.581 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C2CCCCC2)C1 ZINC000227812586 382840662 /nfs/dbraw/zinc/84/06/62/382840662.db2.gz GERNVYCTUDTLBA-RBSFLKMASA-N 1 0 264.413 2.685 50 0 CFAARO Cc1cc(Cl)cc(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000229622037 382853217 /nfs/dbraw/zinc/85/32/17/382853217.db2.gz ZBUUTICBPGZJKQ-UHFFFAOYSA-N 1 0 266.772 2.520 50 0 CFAARO C[C@@H]1c2cccn2CCN1C[C@@H](O)c1ccccc1F ZINC000229751575 382853491 /nfs/dbraw/zinc/85/34/91/382853491.db2.gz KVYPFDJVFYUQRY-MLGOLLRUSA-N 1 0 274.339 2.737 50 0 CFAARO COCc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000230126794 382855887 /nfs/dbraw/zinc/85/58/87/382855887.db2.gz BYCWYPMBQKYTDI-CVEARBPZSA-N 1 0 293.432 2.539 50 0 CFAARO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)CC1CC1)CC2 ZINC000230140016 382855907 /nfs/dbraw/zinc/85/59/07/382855907.db2.gz AKUJRRWQNRCOKQ-BMFZPTHFSA-N 1 0 293.455 2.832 50 0 CFAARO CCOC(=O)c1ccoc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000230251092 382857824 /nfs/dbraw/zinc/85/78/24/382857824.db2.gz LDUSDMJRRASQDF-KGLIPLIRSA-N 1 0 293.363 2.600 50 0 CFAARO Cc1cccn2cc(CNC3CC[NH+](C(C)C)CC3)nc12 ZINC000236604231 382897144 /nfs/dbraw/zinc/89/71/44/382897144.db2.gz MAWMPODNKYKWMA-UHFFFAOYSA-N 1 0 286.423 2.605 50 0 CFAARO C[NH2+]C1CCN(C(=O)/C=C/c2ccc(C)cc2C)CC1 ZINC000237086542 382949883 /nfs/dbraw/zinc/94/98/83/382949883.db2.gz XJJPQWKJQAWUGB-VOTSOKGWSA-N 1 0 272.392 2.527 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237097731 382950256 /nfs/dbraw/zinc/95/02/56/382950256.db2.gz NAOMCFQAPYTBED-ZWNOBZJWSA-N 1 0 298.789 2.955 50 0 CFAARO COc1cccc(Cl)c1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000237265104 382955199 /nfs/dbraw/zinc/95/51/99/382955199.db2.gz IQRTWWWZBWUZPL-QWRGUYRKSA-N 1 0 296.798 2.548 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)n1C1CC1 ZINC000237359911 382958377 /nfs/dbraw/zinc/95/83/77/382958377.db2.gz QHMRSKNINZPGKP-OCCSQVGLSA-N 1 0 289.423 2.639 50 0 CFAARO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000237466000 382962258 /nfs/dbraw/zinc/96/22/58/382962258.db2.gz RVELEAURWSOQLH-QSKJXDJHSA-N 1 0 276.355 2.567 50 0 CFAARO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000237863586 382972485 /nfs/dbraw/zinc/97/24/85/382972485.db2.gz FZLGTNXTRWLZON-GFCCVEGCSA-N 1 0 297.324 2.894 50 0 CFAARO Cc1ccc(N2CCN(CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000240825132 382982536 /nfs/dbraw/zinc/98/25/36/382982536.db2.gz QNCYXCKLHKLZIM-QGZVFWFLSA-N 1 0 287.451 2.601 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc2nsnc2c1 ZINC000244574739 382989676 /nfs/dbraw/zinc/98/96/76/382989676.db2.gz CQNAXTQFYDQEJC-ZDUSSCGKSA-N 1 0 290.436 2.607 50 0 CFAARO COc1ccc2c(c1)[C@H](C)[N@@H+](CCn1nccc1C)CC2 ZINC000244673867 382989878 /nfs/dbraw/zinc/98/98/78/382989878.db2.gz HXAYEJLKDOATQH-AWEZNQCLSA-N 1 0 285.391 2.819 50 0 CFAARO CCOc1ccc([C@@H](C)[N@H+](C)CCN2CCCC2=O)cc1 ZINC000244678945 382989938 /nfs/dbraw/zinc/98/99/38/382989938.db2.gz IMVXEYWGGMEICE-CQSZACIVSA-N 1 0 290.407 2.701 50 0 CFAARO COc1ccccc1OCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000244691848 382991127 /nfs/dbraw/zinc/99/11/27/382991127.db2.gz JKAJZAKJRFQJLP-AWEZNQCLSA-N 1 0 279.380 2.575 50 0 CFAARO Cc1noc([C@H]2CCCCN2Cc2cn3ccccc3n2)n1 ZINC000244795717 382992321 /nfs/dbraw/zinc/99/23/21/382992321.db2.gz RMHYVNPIVWBBJQ-CQSZACIVSA-N 1 0 297.362 2.753 50 0 CFAARO Cc1nonc1C[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000244796149 382992935 /nfs/dbraw/zinc/99/29/35/382992935.db2.gz RTZXIVBIBVGSHQ-HNNXBMFYSA-N 1 0 286.379 2.760 50 0 CFAARO CC(C)c1nnsc1CN(C)[C@@H](C)Cc1cnccn1 ZINC000244873174 382994415 /nfs/dbraw/zinc/99/44/15/382994415.db2.gz WLFOMWXUXISCIW-NSHDSACASA-N 1 0 291.424 2.515 50 0 CFAARO CCN(Cc1noc(C2CCC2)n1)C[C@@H]1CCCOC1 ZINC000244872965 382994523 /nfs/dbraw/zinc/99/45/23/382994523.db2.gz WHOBMZSMNCTBAH-LBPRGKRZSA-N 1 0 279.384 2.586 50 0 CFAARO O=C([C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000237798979 382971076 /nfs/dbraw/zinc/97/10/76/382971076.db2.gz APNQIONQZPVORK-NEPJUHHUSA-N 1 0 299.201 2.529 50 0 CFAARO C[C@H]([NH2+]C1CCC(=C2CCC2)CC1)c1ncn(C)n1 ZINC000583651304 383092062 /nfs/dbraw/zinc/09/20/62/383092062.db2.gz KJEHJGMSTJYPLY-NSHDSACASA-N 1 0 260.385 2.889 50 0 CFAARO C[C@H]1C[C@H]([NH2+]Cc2cc3ccccc3n2C)CCN1C ZINC000585118625 383114757 /nfs/dbraw/zinc/11/47/57/383114757.db2.gz WCFJVJDFJXUAKJ-DZGCQCFKSA-N 1 0 271.408 2.751 50 0 CFAARO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000247955549 383201476 /nfs/dbraw/zinc/20/14/76/383201476.db2.gz FMLLJHKXHLTSJM-RRQGHBQHSA-N 1 0 293.407 2.666 50 0 CFAARO C[C@H](CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)n1cccc1 ZINC000248101017 383210748 /nfs/dbraw/zinc/21/07/48/383210748.db2.gz DWKVCBYVJXQVEZ-OAGGEKHMSA-N 1 0 289.423 2.524 50 0 CFAARO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000248450377 383244998 /nfs/dbraw/zinc/24/49/98/383244998.db2.gz FOYAKIPCQDYRNE-MCIONIFRSA-N 1 0 262.401 2.778 50 0 CFAARO c1cc([C@@H]2CCC[N@@H+](CCn3cnc4ccccc43)C2)n[nH]1 ZINC000252505375 383415527 /nfs/dbraw/zinc/41/55/27/383415527.db2.gz VQOAZHBTSIFAKT-CQSZACIVSA-N 1 0 295.390 2.639 50 0 CFAARO C[C@@H](c1ccc(-c2cnc3ncnn3c2)cc1)[NH+]1CCCC1 ZINC000426412778 383398955 /nfs/dbraw/zinc/39/89/55/383398955.db2.gz SCORDHYUWXVEAG-ZDUSSCGKSA-N 1 0 293.374 2.948 50 0 CFAARO CC1(C)CN(c2ccnc(N)n2)C[C@@H]1c1ccccc1 ZINC000426433662 383399880 /nfs/dbraw/zinc/39/98/80/383399880.db2.gz OEJVYGGIBVIGKN-CYBMUJFWSA-N 1 0 268.364 2.519 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCNC(=O)c1cc2cc(F)ccc2o1 ZINC000426550664 383405201 /nfs/dbraw/zinc/40/52/01/383405201.db2.gz RFXITIOTPPQMAT-ZDUSSCGKSA-N 1 0 290.338 2.786 50 0 CFAARO C[N@@H+]1CCC[C@H]1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000252479593 383411627 /nfs/dbraw/zinc/41/16/27/383411627.db2.gz BIFBNVQUPKGZFM-INIZCTEOSA-N 1 0 293.842 2.556 50 0 CFAARO Cc1cc(C[NH2+]C2(C)CCCCC2)nc(N(C)C)n1 ZINC000252482537 383411778 /nfs/dbraw/zinc/41/17/78/383411778.db2.gz DIRUQBFUBYVTTG-UHFFFAOYSA-N 1 0 262.401 2.663 50 0 CFAARO CO[C@@H]1CC[C@H]2OCC[N@H+](CCSC(C)(C)C)[C@H]2C1 ZINC000252489474 383412656 /nfs/dbraw/zinc/41/26/56/383412656.db2.gz JRTAWNCELQBPRA-HZSPNIEDSA-N 1 0 287.469 2.786 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCCC1 ZINC000249695530 383356856 /nfs/dbraw/zinc/35/68/56/383356856.db2.gz QWYOTPGLUBJPNG-LSDHHAIUSA-N 1 0 264.413 2.652 50 0 CFAARO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC[C@H]1CCCCO1 ZINC000253370079 383452161 /nfs/dbraw/zinc/45/21/61/383452161.db2.gz LSXAPBLFLRGLLG-FZKCQIBNSA-N 1 0 295.423 2.752 50 0 CFAARO C[C@@]([NH3+])(C(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000253425575 383458307 /nfs/dbraw/zinc/45/83/07/383458307.db2.gz QXUIZLZCKJTVEV-YJBOKZPZSA-N 1 0 286.419 2.766 50 0 CFAARO OC[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccnc1 ZINC000253428618 383458561 /nfs/dbraw/zinc/45/85/61/383458561.db2.gz KAVGQLVWJMSYEY-SFHVURJKSA-N 1 0 282.387 2.651 50 0 CFAARO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000253471642 383461226 /nfs/dbraw/zinc/46/12/26/383461226.db2.gz WQEACRKNPKAUDS-HRCADAONSA-N 1 0 272.392 2.679 50 0 CFAARO CCC[N@H+](Cc1[nH]cc(C)c(=O)c1C)[C@@H]1CCCC[C@H]1O ZINC000253536566 383461874 /nfs/dbraw/zinc/46/18/74/383461874.db2.gz VZIJQCDZECNMKI-HZPDHXFCSA-N 1 0 292.423 2.920 50 0 CFAARO C[C@H](C[S@](C)=O)[N@H+](C)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000252549038 383419830 /nfs/dbraw/zinc/41/98/30/383419830.db2.gz QQBHOFARDQATET-UYLUIQCMSA-N 1 0 285.375 2.806 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000252586068 383420756 /nfs/dbraw/zinc/42/07/56/383420756.db2.gz NGBLSBKZBFWKHH-KBRIMQKVSA-N 1 0 277.408 2.854 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H](C)[S@](C)=O)[C@H](C)C2 ZINC000252585394 383421059 /nfs/dbraw/zinc/42/10/59/383421059.db2.gz IGQDMTPCLDCTMJ-FKPWOLHESA-N 1 0 279.449 2.975 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCn2cnnc2C2CC2)C[C@H]1C ZINC000252587187 383421066 /nfs/dbraw/zinc/42/10/66/383421066.db2.gz WCDZJXUYHQREMS-YRGRVCCFSA-N 1 0 262.401 2.570 50 0 CFAARO Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000252586692 383421219 /nfs/dbraw/zinc/42/12/19/383421219.db2.gz RXNWDGOQBSECFP-QWHCGFSZSA-N 1 0 251.345 2.727 50 0 CFAARO CC(C)C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc32)CCO1 ZINC000453183122 383794432 /nfs/dbraw/zinc/79/44/32/383794432.db2.gz NLBDXCCTTPTULX-MJBXVCDLSA-N 1 0 263.385 2.511 50 0 CFAARO CC(C)C[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc32)CCO1 ZINC000453183120 383794609 /nfs/dbraw/zinc/79/46/09/383794609.db2.gz NLBDXCCTTPTULX-MCIONIFRSA-N 1 0 263.385 2.511 50 0 CFAARO CCCOc1cncc(NC(=O)[C@@H]([NH3+])c2ccccc2)c1 ZINC000638583948 384757541 /nfs/dbraw/zinc/75/75/41/384757541.db2.gz OUJGPNWGUSPGQB-HNNXBMFYSA-N 1 0 285.347 2.509 50 0 CFAARO Cc1cc(C)cc([C@@H](O)C[NH2+]C2CCSCC2)c1 ZINC000283086012 385433600 /nfs/dbraw/zinc/43/36/00/385433600.db2.gz WAFDQHBVDLQKJD-HNNXBMFYSA-N 1 0 265.422 2.822 50 0 CFAARO COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)ccc1F ZINC000096489387 533129266 /nfs/dbraw/zinc/12/92/66/533129266.db2.gz FLOAITLRNRQRGY-GMXVVIOVSA-N 1 0 267.344 2.910 50 0 CFAARO COc1ccc([C@@H]([NH2+]CC[C@@H]2CCNC2=O)C(C)C)cc1 ZINC000408523305 533132371 /nfs/dbraw/zinc/13/23/71/533132371.db2.gz IPCMJJSFLQBONE-ZBFHGGJFSA-N 1 0 290.407 2.508 50 0 CFAARO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(C(C)C)nc2C)[nH]n1 ZINC000281284606 195181442 /nfs/dbraw/zinc/18/14/42/195181442.db2.gz IFCBADSEOCRDBY-LLVKDONJSA-N 1 0 275.400 2.525 50 0 CFAARO OCCC[C@@H]1CCC[N@@H+]1CCOC1CCCCCC1 ZINC000096420047 256761137 /nfs/dbraw/zinc/76/11/37/256761137.db2.gz PRGTYJZEZAIRDW-HNNXBMFYSA-N 1 0 269.429 2.963 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000096419231 256790213 /nfs/dbraw/zinc/79/02/13/256790213.db2.gz GGVCKTYLHILYTR-ROUUACIJSA-N 1 0 298.430 2.842 50 0 CFAARO Cc1cccc(OC[C@H](O)C[N@H+](C)CCc2ccccc2)c1 ZINC000051404532 256876842 /nfs/dbraw/zinc/87/68/42/256876842.db2.gz CVZJNEOLZPGNGH-GOSISDBHSA-N 1 0 299.414 2.909 50 0 CFAARO C[NH+](C)CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000002822792 256857522 /nfs/dbraw/zinc/85/75/22/256857522.db2.gz RQGQYGCMTIUTOM-UHFFFAOYSA-N 1 0 278.179 2.950 50 0 CFAARO CC(C)NC(=O)C[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000095425778 184978919 /nfs/dbraw/zinc/97/89/19/184978919.db2.gz JDEQTOINDCOZEJ-SNVBAGLBSA-N 1 0 286.778 2.872 50 0 CFAARO COC(=O)C1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000237119201 131005617 /nfs/dbraw/zinc/00/56/17/131005617.db2.gz MICXSZFFBPUUTC-UHFFFAOYSA-N 1 0 283.318 2.786 50 0 CFAARO C[C@H](NC(=O)C(C)(C)[NH3+])c1cccc(Cl)c1Cl ZINC000237541500 131039975 /nfs/dbraw/zinc/03/99/75/131039975.db2.gz BRZSGBAGWQULMT-ZETCQYMHSA-N 1 0 275.179 2.908 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(CCCc2cccnc2)C1 ZINC000243885598 131083284 /nfs/dbraw/zinc/08/32/84/131083284.db2.gz AATLNKPWDJNZCC-HNNXBMFYSA-N 1 0 273.424 2.573 50 0 CFAARO CCS(=O)(=O)CCN1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000245289559 131084503 /nfs/dbraw/zinc/08/45/03/131084503.db2.gz CQWJGGKLELRFRO-DOMZBBRYSA-N 1 0 299.411 2.643 50 0 CFAARO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000269222057 132135205 /nfs/dbraw/zinc/13/52/05/132135205.db2.gz BNDCUQWPAQAODP-XLNGHYISSA-N 1 0 286.419 2.909 50 0 CFAARO CCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012574225 393475713 /nfs/dbraw/zinc/47/57/13/393475713.db2.gz YEMTTZPXBYSFAR-CYBMUJFWSA-N 1 0 252.402 2.700 50 0 CFAARO CC(C)c1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019946405 393485289 /nfs/dbraw/zinc/48/52/89/393485289.db2.gz WTORLHTUUKMTSZ-QGZVFWFLSA-N 1 0 258.409 2.994 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccsc1)c1ccccc1 ZINC000025167602 393492815 /nfs/dbraw/zinc/49/28/15/393492815.db2.gz WDLRNKLMMGNXKR-CQSZACIVSA-N 1 0 274.389 2.781 50 0 CFAARO Cc1ccnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000032593137 393514251 /nfs/dbraw/zinc/51/42/51/393514251.db2.gz AAAMTSWYSMQRJO-INIZCTEOSA-N 1 0 282.391 2.719 50 0 CFAARO C(C1CCC2(CC1)OCCO2)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000190191366 393579009 /nfs/dbraw/zinc/57/90/09/393579009.db2.gz KUKWPYSPMSHOFF-HOTGVXAUSA-N 1 0 295.423 2.563 50 0 CFAARO CC1(C)C[N@H+](Cc2cccc3cccnc32)CCO1 ZINC000075701426 393676836 /nfs/dbraw/zinc/67/68/36/393676836.db2.gz BYBCZYGEFATJSF-UHFFFAOYSA-N 1 0 256.349 2.846 50 0 CFAARO CC[C@H](CO)[N@H+](Cc1ccsc1)Cc1ccccn1 ZINC000055182735 393620165 /nfs/dbraw/zinc/62/01/65/393620165.db2.gz LQDQRWHDWHUQSY-OAHLLOKOSA-N 1 0 276.405 2.916 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2c(C)nn(C)c2Cl)c1 ZINC000069458856 393636464 /nfs/dbraw/zinc/63/64/64/393636464.db2.gz YTOQOBKTRGFREL-CMPLNLGQSA-N 1 0 295.818 2.626 50 0 CFAARO CC(C)=CC[NH+]1CCC2(CC1)NC(=O)c1cccc(C)c1N2 ZINC000069706557 393637147 /nfs/dbraw/zinc/63/71/47/393637147.db2.gz MTLXESOFHJOVPR-UHFFFAOYSA-N 1 0 299.418 2.909 50 0 CFAARO FC(F)(F)c1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000070283431 393638643 /nfs/dbraw/zinc/63/86/43/393638643.db2.gz UIXJBZRBMFCQSO-UHFFFAOYSA-N 1 0 264.678 2.768 50 0 CFAARO CN(C)C(=O)C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072154334 393642704 /nfs/dbraw/zinc/64/27/04/393642704.db2.gz IDMXCFNTMUZMOZ-HNNXBMFYSA-N 1 0 292.398 2.559 50 0 CFAARO FC(F)(F)c1cc([C@@H]2CCCC[NH2+]2)nc2nccn21 ZINC000072343512 393649843 /nfs/dbraw/zinc/64/98/43/393649843.db2.gz JLSIRVFVGNTXTD-QMMMGPOBSA-N 1 0 270.258 2.563 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 ZINC000195113097 393731576 /nfs/dbraw/zinc/73/15/76/393731576.db2.gz SHFYOWBBPHFLEB-ZDUSSCGKSA-N 1 0 288.322 2.649 50 0 CFAARO C[C@H]1CCC[C@@H]1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000222488234 393763300 /nfs/dbraw/zinc/76/33/00/393763300.db2.gz YNHPVKYUSWWEAF-QRJUGERDSA-N 1 0 269.429 2.530 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000239275010 393796959 /nfs/dbraw/zinc/79/69/59/393796959.db2.gz BBMNTDYLHOUHAS-HIFRSBDPSA-N 1 0 286.375 2.583 50 0 CFAARO Fc1cccc(F)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820758 393804553 /nfs/dbraw/zinc/80/45/53/393804553.db2.gz NLLHEIQIMWKRFH-CQSZACIVSA-N 1 0 253.292 2.577 50 0 CFAARO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccon3)c2C1 ZINC000095979258 393813898 /nfs/dbraw/zinc/81/38/98/393813898.db2.gz YRAVESLDXHOOIA-UHFFFAOYSA-N 1 0 285.347 2.899 50 0 CFAARO OCCn1ncc2c1CCC[C@@H]2[NH2+]C/C=C\c1ccccc1 ZINC000096297205 393818552 /nfs/dbraw/zinc/81/85/52/393818552.db2.gz PXFUOMIPKYCFBZ-AFCDSYGPSA-N 1 0 297.402 2.556 50 0 CFAARO C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C[C@H]1n1ccnc1 ZINC000245592636 393818783 /nfs/dbraw/zinc/81/87/83/393818783.db2.gz KXUQRNXNKQXREX-GDBMZVCRSA-N 1 0 295.390 2.614 50 0 CFAARO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000096403684 393820373 /nfs/dbraw/zinc/82/03/73/393820373.db2.gz UMJLYBUXPMJFNE-HNNXBMFYSA-N 1 0 296.370 2.814 50 0 CFAARO OCCCCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000096417903 393826035 /nfs/dbraw/zinc/82/60/35/393826035.db2.gz RZIDPCWHNHKHSF-UHFFFAOYSA-N 1 0 253.773 2.861 50 0 CFAARO CCOCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000096421104 393828100 /nfs/dbraw/zinc/82/81/00/393828100.db2.gz TULBIKXFROGDFJ-UHFFFAOYSA-N 1 0 294.370 2.513 50 0 CFAARO O[C@H](C[N@H+](C[C@@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000096424440 393829772 /nfs/dbraw/zinc/82/97/72/393829772.db2.gz SDVBRRUTFLVHJS-JKSUJKDBSA-N 1 0 279.355 2.503 50 0 CFAARO Cc1cnc(-c2ccccc2C[NH+](C)C)nc1N(C)C ZINC000097179508 393841179 /nfs/dbraw/zinc/84/11/79/393841179.db2.gz RJNBSTXSTNNWQC-UHFFFAOYSA-N 1 0 270.380 2.580 50 0 CFAARO C1=C(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CCOC1 ZINC000252486251 393935539 /nfs/dbraw/zinc/93/55/39/393935539.db2.gz HDNKLVPEOASEJJ-ARFHVFGLSA-N 1 0 277.408 2.661 50 0 CFAARO C[N@H+](CCCc1ccco1)CC1(CO)CCCC1 ZINC000252509863 393936855 /nfs/dbraw/zinc/93/68/55/393936855.db2.gz YXCXPYDIYJLAGP-UHFFFAOYSA-N 1 0 251.370 2.697 50 0 CFAARO c1ccc(N2CCC[N@@H+](CC[C@@H]3CCOC3)CC2)cc1 ZINC000437686642 394068678 /nfs/dbraw/zinc/06/86/78/394068678.db2.gz MUZALGORWIAPIX-MRXNPFEDSA-N 1 0 274.408 2.625 50 0 CFAARO CSCc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1F ZINC000153716550 394290626 /nfs/dbraw/zinc/29/06/26/394290626.db2.gz PMYDHZCOKITPBP-QWRGUYRKSA-N 1 0 296.411 2.511 50 0 CFAARO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1F ZINC000163467054 394368611 /nfs/dbraw/zinc/36/86/11/394368611.db2.gz QUQPCIDJUYVCIT-UONOGXRCSA-N 1 0 264.344 2.535 50 0 CFAARO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1F ZINC000163467163 394368834 /nfs/dbraw/zinc/36/88/34/394368834.db2.gz QUQPCIDJUYVCIT-ZIAGYGMSSA-N 1 0 264.344 2.535 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)C1([NH3+])CCCC1 ZINC000170046639 394371132 /nfs/dbraw/zinc/37/11/32/394371132.db2.gz OAMZQCCWDSEDDK-UHFFFAOYSA-N 1 0 284.762 2.709 50 0 CFAARO COc1cc(C[NH+](C)C)c(OC)cc1Br ZINC000575444424 395090651 /nfs/dbraw/zinc/09/06/51/395090651.db2.gz AAPPLJBOAYSLSV-UHFFFAOYSA-N 1 0 274.158 2.528 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000063193135 292083266 /nfs/dbraw/zinc/08/32/66/292083266.db2.gz BYNDENPCSVMQNA-ZFWWWQNUSA-N 1 0 260.381 2.645 50 0 CFAARO CS[C@H](C)CC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000824870978 781998993 /nfs/dbraw/zinc/99/89/93/781998993.db2.gz FHDXEOADOSBLGJ-CQSZACIVSA-N 1 0 292.448 2.586 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1ccccc1 ZINC000046859049 397582792 /nfs/dbraw/zinc/58/27/92/397582792.db2.gz HXCVEZBIHDIILG-NKSUMMKUSA-N 1 0 272.392 2.690 50 0 CFAARO c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCN(C2CC2)C1 ZINC000095421482 397591845 /nfs/dbraw/zinc/59/18/45/397591845.db2.gz PNCNYTAXBYROJZ-XJKSGUPXSA-N 1 0 272.392 2.727 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012289067 292168373 /nfs/dbraw/zinc/16/83/73/292168373.db2.gz YQOVOYVJMBRRQX-BZUAXINKSA-N 1 0 277.408 2.713 50 0 CFAARO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000239654043 286024801 /nfs/dbraw/zinc/02/48/01/286024801.db2.gz BMLKPBJNXKZGNN-LLLHUVSDSA-N 1 0 277.408 2.903 50 0 CFAARO COc1cc(COCC[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000042774037 286222228 /nfs/dbraw/zinc/22/22/28/286222228.db2.gz MCZAHWJMGYRWLB-ZDUSSCGKSA-N 1 0 279.380 2.610 50 0 CFAARO Cc1csc(C(=O)N2CCC[N@@H+](C3CCC3)CC2)c1 ZINC000825257243 782005979 /nfs/dbraw/zinc/00/59/79/782005979.db2.gz MNMIQEJKFPGWFI-UHFFFAOYSA-N 1 0 278.421 2.757 50 0 CFAARO Cc1nc([C@@H]2CCCC[NH2+]2)n(CCc2ccccc2)n1 ZINC000825292046 782007806 /nfs/dbraw/zinc/00/78/06/782007806.db2.gz MQGGIEPSWIRMJT-HNNXBMFYSA-N 1 0 270.380 2.644 50 0 CFAARO CCc1ccc(OCCOCC[NH2+]C(C)C)cc1 ZINC000002981164 169846780 /nfs/dbraw/zinc/84/67/80/169846780.db2.gz MCEAKQSHKFHHIL-UHFFFAOYSA-N 1 0 251.370 2.642 50 0 CFAARO COCC[NH2+]CCOc1ccc(C(C)(C)C)cc1C ZINC000003003479 169849396 /nfs/dbraw/zinc/84/93/96/169849396.db2.gz SRTLFCVPOJWHKK-UHFFFAOYSA-N 1 0 265.397 2.907 50 0 CFAARO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccccc1F ZINC000003286773 169875500 /nfs/dbraw/zinc/87/55/00/169875500.db2.gz UPYADWJHZXXKAK-UHFFFAOYSA-N 1 0 283.416 2.700 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)C(C)C)c1C ZINC000003396110 169884760 /nfs/dbraw/zinc/88/47/60/169884760.db2.gz PZGUUPIVIMKQBV-JKSUJKDBSA-N 1 0 279.424 2.986 50 0 CFAARO CC[C@H](C)NC(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004679880 169997541 /nfs/dbraw/zinc/99/75/41/169997541.db2.gz QGBTZMJGDNJAFG-GJZGRUSLSA-N 1 0 278.440 2.969 50 0 CFAARO O=C(CC[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000004725025 170005847 /nfs/dbraw/zinc/00/58/47/170005847.db2.gz KWNPYFXGUNANCW-UHFFFAOYSA-N 1 0 252.745 2.764 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1 ZINC000004729411 170007318 /nfs/dbraw/zinc/00/73/18/170007318.db2.gz RMVNPEWAEINXLO-ZNMIVQPWSA-N 1 0 263.381 2.689 50 0 CFAARO COc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000004745787 170010275 /nfs/dbraw/zinc/01/02/75/170010275.db2.gz YNXTWFOFULRZKP-UHFFFAOYSA-N 1 0 274.408 2.755 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1c(C)cccc1Cl ZINC000004772968 170014657 /nfs/dbraw/zinc/01/46/57/170014657.db2.gz ABOJYLGEZZBHJW-UHFFFAOYSA-N 1 0 254.761 2.929 50 0 CFAARO Cn1cc(C[NH2+]CCCn2ccnc2)c2ccccc21 ZINC000004818121 170022301 /nfs/dbraw/zinc/02/23/01/170022301.db2.gz WEKVCVUXLLKFCL-UHFFFAOYSA-N 1 0 268.364 2.555 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004942862 170043016 /nfs/dbraw/zinc/04/30/16/170043016.db2.gz LQZOFNYZWZTGCB-CYBMUJFWSA-N 1 0 263.312 2.946 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH2+]C(C)C)ccc1C(C)C ZINC000004950848 170044763 /nfs/dbraw/zinc/04/47/63/170044763.db2.gz BNVPASVLZMPAIV-AWEZNQCLSA-N 1 0 265.397 2.856 50 0 CFAARO Cc1ccccc1C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005010325 170055018 /nfs/dbraw/zinc/05/50/18/170055018.db2.gz FHPXTEACSVCASQ-WBVHZDCISA-N 1 0 294.398 2.776 50 0 CFAARO CCC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000005067738 170063310 /nfs/dbraw/zinc/06/33/10/170063310.db2.gz CQUDAXVIPIKFOT-HNNXBMFYSA-N 1 0 291.391 2.505 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000005346263 170088418 /nfs/dbraw/zinc/08/84/18/170088418.db2.gz SZSKDUNETSHZNC-CYBMUJFWSA-N 1 0 289.354 2.521 50 0 CFAARO O[C@@H](CC[NH2+]CCc1c[nH]c2ccccc12)C(F)(F)F ZINC000005904353 170153184 /nfs/dbraw/zinc/15/31/84/170153184.db2.gz MIJFTQPRZDVGIW-ZDUSSCGKSA-N 1 0 286.297 2.613 50 0 CFAARO O[C@H](CC[NH2+]CCc1c[nH]c2ccccc12)C(F)(F)F ZINC000005904361 170153326 /nfs/dbraw/zinc/15/33/26/170153326.db2.gz MIJFTQPRZDVGIW-CYBMUJFWSA-N 1 0 286.297 2.613 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000005907663 170153389 /nfs/dbraw/zinc/15/33/89/170153389.db2.gz YHSYSVGQSGCKMU-JTQLQIEISA-N 1 0 278.179 2.863 50 0 CFAARO C[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000005911934 170154252 /nfs/dbraw/zinc/15/42/52/170154252.db2.gz YROGYEPXHCLCEA-ZDUSSCGKSA-N 1 0 289.350 2.875 50 0 CFAARO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000006651143 170222355 /nfs/dbraw/zinc/22/23/55/170222355.db2.gz QNHORKKDTZFNNY-CHWSQXEVSA-N 1 0 262.397 2.800 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000006698682 170227705 /nfs/dbraw/zinc/22/77/05/170227705.db2.gz SSDPTCIRXNFTDX-UHFFFAOYSA-N 1 0 279.359 2.822 50 0 CFAARO Cc1ccc(C)c(NC(=O)NC2CC[NH+](C)CC2)c1 ZINC000006731535 170235924 /nfs/dbraw/zinc/23/59/24/170235924.db2.gz KKBUKIGOIZJIFO-UHFFFAOYSA-N 1 0 261.369 2.519 50 0 CFAARO CCc1ccccc1NC(=O)NCC[NH+]1CCCCC1 ZINC000006742379 170238248 /nfs/dbraw/zinc/23/82/48/170238248.db2.gz GWSIFTGMQFXMOP-UHFFFAOYSA-N 1 0 275.396 2.856 50 0 CFAARO CCC[NH+]1CCC(NC(=S)Nc2cccc(F)c2)CC1 ZINC000006854144 170249427 /nfs/dbraw/zinc/24/94/27/170249427.db2.gz HEBYNXIZLKHFNA-UHFFFAOYSA-N 1 0 295.427 2.987 50 0 CFAARO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)no1 ZINC000007587546 170292015 /nfs/dbraw/zinc/29/20/15/170292015.db2.gz GCZRYGRNJSGZAR-STQMWFEESA-N 1 0 277.368 2.576 50 0 CFAARO CC[C@H](C)c1ccccc1NC(=O)CSC(N)=[NH2+] ZINC000007813776 170304171 /nfs/dbraw/zinc/30/41/71/170304171.db2.gz HYCCRLNGUWRYPH-VIFPVBQESA-N 1 0 265.382 2.765 50 0 CFAARO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](C)O ZINC000008253429 170327186 /nfs/dbraw/zinc/32/71/86/170327186.db2.gz BRUZXBRYEPXIIA-MRVPVSSYSA-N 1 0 278.179 2.863 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+][C@@H](CC)CO)cc1OC ZINC000008326279 170331333 /nfs/dbraw/zinc/33/13/33/170331333.db2.gz UWJSUAKAHMHDGJ-NSHDSACASA-N 1 0 287.787 2.608 50 0 CFAARO C[NH+](C)Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000008719955 170349402 /nfs/dbraw/zinc/34/94/02/170349402.db2.gz ORMCEDSBGOLEJL-UHFFFAOYSA-N 1 0 294.358 2.877 50 0 CFAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)NCc1ccco1 ZINC000010087400 170397337 /nfs/dbraw/zinc/39/73/37/170397337.db2.gz KOOLQXKNNSSDMO-MRXNPFEDSA-N 1 0 284.359 2.733 50 0 CFAARO CC[NH+](CC)CCCNC(=O)Nc1ccccc1OC ZINC000012942684 170521990 /nfs/dbraw/zinc/52/19/90/170521990.db2.gz CBAWSTYVIDBQKK-UHFFFAOYSA-N 1 0 279.384 2.549 50 0 CFAARO COCCC[NH2+]Cc1cc(Br)ccc1OC ZINC000013722299 170581788 /nfs/dbraw/zinc/58/17/88/170581788.db2.gz JDEYJIIRWHZAPS-UHFFFAOYSA-N 1 0 288.185 2.584 50 0 CFAARO CC[NH2+]CCOc1ccc(Br)cc1C ZINC000016527175 170701436 /nfs/dbraw/zinc/70/14/36/170701436.db2.gz UAEJUNAWRZMBKV-UHFFFAOYSA-N 1 0 258.159 2.746 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000016603110 170703974 /nfs/dbraw/zinc/70/39/74/170703974.db2.gz GEYNXGOTAFOORB-UHFFFAOYSA-N 1 0 280.799 2.944 50 0 CFAARO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1ccccc1Cl ZINC000019682496 170838482 /nfs/dbraw/zinc/83/84/82/170838482.db2.gz MRXCXNCLZMHEAL-NSHDSACASA-N 1 0 270.760 2.865 50 0 CFAARO CCc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000020191855 171058213 /nfs/dbraw/zinc/05/82/13/171058213.db2.gz JBFFJCLCRSBCRK-UHFFFAOYSA-N 1 0 280.437 2.913 50 0 CFAARO COc1ccc(OC)c(CNC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000020201650 171065971 /nfs/dbraw/zinc/06/59/71/171065971.db2.gz NVGWHDVYONIDSL-OAHLLOKOSA-N 1 0 294.439 2.770 50 0 CFAARO CC[C@@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CC[N@@H+]1C ZINC000020256015 171110404 /nfs/dbraw/zinc/11/04/04/171110404.db2.gz XSDSFBQKBOUZOH-MRXNPFEDSA-N 1 0 284.407 2.603 50 0 CFAARO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cs1 ZINC000020352896 171157071 /nfs/dbraw/zinc/15/70/71/171157071.db2.gz PMKTXOXKZVLUEO-UHFFFAOYSA-N 1 0 266.410 2.659 50 0 CFAARO CN(C)CC[NH2+]CCCSc1ccc(Cl)cc1 ZINC000020418775 171184056 /nfs/dbraw/zinc/18/40/56/171184056.db2.gz FBVQDVVRRXDLBU-UHFFFAOYSA-N 1 0 272.845 2.973 50 0 CFAARO [NH3+]Cc1cc(Br)ccc1OC(F)F ZINC000020483512 171223638 /nfs/dbraw/zinc/22/36/38/171223638.db2.gz RYRATUHAXYDQLG-UHFFFAOYSA-N 1 0 252.058 2.509 50 0 CFAARO Cc1ccc(SCCC[NH+]2CCN(C)CC2)cc1 ZINC000020639222 171268828 /nfs/dbraw/zinc/26/88/28/171268828.db2.gz WAHQSXWJXAJGSP-UHFFFAOYSA-N 1 0 264.438 2.725 50 0 CFAARO Cc1nc[nH]c1CN[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000020920714 171280042 /nfs/dbraw/zinc/28/00/42/171280042.db2.gz KFZOIRWSZBUNCG-INIZCTEOSA-N 1 0 290.455 2.852 50 0 CFAARO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCO ZINC000020930036 171280872 /nfs/dbraw/zinc/28/08/72/171280872.db2.gz LJCHDDUPPJQVFY-UHFFFAOYSA-N 1 0 278.179 2.864 50 0 CFAARO Cc1cccnc1-c1noc([C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000020994543 171283829 /nfs/dbraw/zinc/28/38/29/171283829.db2.gz HSYPJDHYGYTMRJ-LBPRGKRZSA-N 1 0 272.352 2.638 50 0 CFAARO C[N@H+](CCCc1nc2ccccc2[nH]1)C1CCOCC1 ZINC000020999435 171284056 /nfs/dbraw/zinc/28/40/56/171284056.db2.gz SLZPTEGODWTBMH-UHFFFAOYSA-N 1 0 273.380 2.606 50 0 CFAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[NH2+]CC1 ZINC000021635539 171317879 /nfs/dbraw/zinc/31/78/79/171317879.db2.gz DPMMLWUTYVFXMS-UHFFFAOYSA-N 1 0 291.782 2.709 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)CCc1ccccc1 ZINC000021938348 171337950 /nfs/dbraw/zinc/33/79/50/171337950.db2.gz OSOPVJINPVVKOU-UHFFFAOYSA-N 1 0 296.414 2.997 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1OC ZINC000021983378 171344803 /nfs/dbraw/zinc/34/48/03/171344803.db2.gz CGEUGWRWCSCAOA-HNNXBMFYSA-N 1 0 287.359 2.527 50 0 CFAARO CCC[NH+]1CCC(c2cccc(S(C)(=O)=O)c2)CC1 ZINC000022063703 171351580 /nfs/dbraw/zinc/35/15/80/171351580.db2.gz YGKUEOZJFIXDGI-UHFFFAOYSA-N 1 0 281.421 2.680 50 0 investigational CFAARO Cc1ccoc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000022516743 171389589 /nfs/dbraw/zinc/38/95/89/171389589.db2.gz RFMOVOVDAISHAM-AWEZNQCLSA-N 1 0 272.348 2.621 50 0 CFAARO CC(C)(C)c1ccc2oc(N3CC[NH2+]CC3)nc2c1 ZINC000022637941 171395076 /nfs/dbraw/zinc/39/50/76/171395076.db2.gz LQPUCVXPJUUJFP-UHFFFAOYSA-N 1 0 259.353 2.535 50 0 CFAARO COc1ccc(OC)c2sc(NCCC[NH+](C)C)nc21 ZINC000026424050 171483811 /nfs/dbraw/zinc/48/38/11/171483811.db2.gz BICOPJRDNXGUHO-UHFFFAOYSA-N 1 0 295.408 2.677 50 0 CFAARO CN(CCC[NH+](C)C)c1ccc(C(F)(F)F)cc1N ZINC000035246504 172078017 /nfs/dbraw/zinc/07/80/17/172078017.db2.gz HWIJDHXWKNIXEK-UHFFFAOYSA-N 1 0 275.318 2.676 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](C)Oc2ccccn2)cc1 ZINC000035287327 172105127 /nfs/dbraw/zinc/10/51/27/172105127.db2.gz NVKFAOMIOREZHP-ZDUSSCGKSA-N 1 0 272.348 2.647 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COCCOc1ccc(C(C)C)cc1 ZINC000035590826 172287482 /nfs/dbraw/zinc/28/74/82/172287482.db2.gz GHSWMWZJVBUXAN-INIZCTEOSA-N 1 0 295.423 2.564 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000657691477 413859309 /nfs/dbraw/zinc/85/93/09/413859309.db2.gz SHAQRQWUDKEQPP-KGLIPLIRSA-N 1 0 290.436 2.686 50 0 CFAARO CN(Cc1cccc(C[NH3+])c1)C(=O)OC(C)(C)C ZINC000037034733 172902603 /nfs/dbraw/zinc/90/26/03/172902603.db2.gz NSWMUHXPUGRFPE-UHFFFAOYSA-N 1 0 250.342 2.512 50 0 CFAARO Brc1ccccc1COC1CC[NH2+]CC1 ZINC000037390672 173173816 /nfs/dbraw/zinc/17/38/16/173173816.db2.gz IWZGLUZTFAUURI-UHFFFAOYSA-N 1 0 270.170 2.718 50 0 CFAARO CC(C)NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037547419 173264627 /nfs/dbraw/zinc/26/46/27/173264627.db2.gz TWMRYWXXUNOWEG-OAHLLOKOSA-N 1 0 288.435 2.854 50 0 CFAARO C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(CC(F)F)CC1 ZINC000097108439 287283713 /nfs/dbraw/zinc/28/37/13/287283713.db2.gz FJHJGGTVKJMSDS-CHWSQXEVSA-N 1 0 260.372 2.695 50 0 CFAARO OC[C@@]1([NH2+]Cc2cccs2)CCOc2ccccc21 ZINC000038123543 174130466 /nfs/dbraw/zinc/13/04/66/174130466.db2.gz JGPJXZVOVUHEBT-HNNXBMFYSA-N 1 0 275.373 2.508 50 0 CFAARO Brc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000038580771 174148808 /nfs/dbraw/zinc/14/88/08/174148808.db2.gz FAGHCQBPMAMGDL-VIFPVBQESA-N 1 0 256.143 2.580 50 0 CFAARO C[NH+](C)CC(C)(C)CNC(=O)CCc1ccccc1Cl ZINC000039975579 174180619 /nfs/dbraw/zinc/18/06/19/174180619.db2.gz VVBCCRQXGZMGHZ-UHFFFAOYSA-N 1 0 296.842 2.977 50 0 CFAARO CC[C@@H](CNC(=O)c1ccccc1C)[NH+]1CCCC1 ZINC000040092356 174189144 /nfs/dbraw/zinc/18/91/44/174189144.db2.gz UAFAVFCMYFUJKU-AWEZNQCLSA-N 1 0 260.381 2.599 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000040460338 174270322 /nfs/dbraw/zinc/27/03/22/174270322.db2.gz OXIGSUOESNIEFY-OLZOCXBDSA-N 1 0 278.400 2.523 50 0 CFAARO CC[C@@H](CNC(=O)c1ccccc1Cl)[NH+]1CCCC1 ZINC000040522408 174311208 /nfs/dbraw/zinc/31/12/08/174311208.db2.gz PMYNETJZHYWSPC-LBPRGKRZSA-N 1 0 280.799 2.944 50 0 CFAARO Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000040525316 174313332 /nfs/dbraw/zinc/31/33/32/174313332.db2.gz IFMIUNJLUCPAJR-CYBMUJFWSA-N 1 0 273.380 2.601 50 0 CFAARO C[NH+](C)CCN(Cc1cccnc1)C(=O)Nc1ccccc1 ZINC000040554472 174330533 /nfs/dbraw/zinc/33/05/33/174330533.db2.gz KYTLBFZOQZBMIF-UHFFFAOYSA-N 1 0 298.390 2.677 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2F)C1 ZINC000040690869 174377292 /nfs/dbraw/zinc/37/72/92/174377292.db2.gz KPKYLJGCJDJAMR-NSHDSACASA-N 1 0 298.789 2.939 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2F)C1 ZINC000040690868 174377370 /nfs/dbraw/zinc/37/73/70/174377370.db2.gz KPKYLJGCJDJAMR-LLVKDONJSA-N 1 0 298.789 2.939 50 0 CFAARO COc1cc(Cl)cc(C[NH2+]CCCO)c1OC(C)C ZINC000040743735 174390951 /nfs/dbraw/zinc/39/09/51/174390951.db2.gz PRMMIVQIHDFXSH-UHFFFAOYSA-N 1 0 287.787 2.608 50 0 CFAARO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)O)c1OC(C)C ZINC000040743915 174391560 /nfs/dbraw/zinc/39/15/60/174391560.db2.gz UIRONDJDEPXLAV-SNVBAGLBSA-N 1 0 287.787 2.606 50 0 CFAARO OCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000040744873 174391611 /nfs/dbraw/zinc/39/16/11/174391611.db2.gz IBVNIHLRIJDNED-UHFFFAOYSA-N 1 0 289.350 2.877 50 0 CFAARO CCc1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770595 174870903 /nfs/dbraw/zinc/87/09/03/174870903.db2.gz RLPRRAWEMGFMLU-NSHDSACASA-N 1 0 284.197 3.000 50 0 CFAARO FC(F)(F)c1cccc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000043323962 175006290 /nfs/dbraw/zinc/00/62/90/175006290.db2.gz HQEBPBKZVOVLEI-GFCCVEGCSA-N 1 0 258.287 2.547 50 0 CFAARO Cc1ccc2oc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2c1 ZINC000044491593 175180470 /nfs/dbraw/zinc/18/04/70/175180470.db2.gz AAFDSRNPLQHMII-CYBMUJFWSA-N 1 0 272.348 2.613 50 0 CFAARO CCn1nc(C[NH2+]C2CCCC2)c(-c2ccccc2)n1 ZINC000045944821 175387508 /nfs/dbraw/zinc/38/75/08/175387508.db2.gz FKGGHUAYTONFOK-UHFFFAOYSA-N 1 0 270.380 2.997 50 0 CFAARO CSc1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000045945488 175387751 /nfs/dbraw/zinc/38/77/51/175387751.db2.gz CNNKDZOHMQFTFS-UHFFFAOYSA-N 1 0 274.389 2.972 50 0 CFAARO CC(C)n1cc(C[NH2+]CCN(C)C)c2ccccc21 ZINC000045946176 175387823 /nfs/dbraw/zinc/38/78/23/175387823.db2.gz LKOWYQMHQRDYNV-UHFFFAOYSA-N 1 0 259.397 2.873 50 0 CFAARO Cc1ccc(CNC2=[NH+]CCNC23CCCCC3)cc1 ZINC000046153110 175393734 /nfs/dbraw/zinc/39/37/34/175393734.db2.gz ZAELXMGOAVCPEC-UHFFFAOYSA-N 1 0 271.408 2.789 50 0 CFAARO C[NH+](C)C[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000058156294 175608507 /nfs/dbraw/zinc/60/85/07/175608507.db2.gz DPZZXZCLUXUOLD-CYBMUJFWSA-N 1 0 294.826 2.683 50 0 CFAARO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000195560420 287307754 /nfs/dbraw/zinc/30/77/54/287307754.db2.gz VQPBCXLSNVDNAQ-CABCVRRESA-N 1 0 267.413 2.694 50 0 CFAARO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000066318088 175756494 /nfs/dbraw/zinc/75/64/94/175756494.db2.gz LNIGAKZKQMKDNP-CVEARBPZSA-N 1 0 286.419 2.781 50 0 CFAARO Cc1ccc(CCC(=O)NCC2CC[NH+](C)CC2)cc1C ZINC000067673903 175782684 /nfs/dbraw/zinc/78/26/84/175782684.db2.gz MYFILVHAYNZAOP-UHFFFAOYSA-N 1 0 288.435 2.694 50 0 CFAARO COc1cc(F)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000067850006 175796751 /nfs/dbraw/zinc/79/67/51/175796751.db2.gz KQAXHGTXKVVBSB-MRXNPFEDSA-N 1 0 296.361 2.549 50 0 CFAARO Cc1nc(-c2ccc3c4c(ccc3c2)O[C@H](C[NH3+])C4)c[nH]1 ZINC000067948108 175803725 /nfs/dbraw/zinc/80/37/25/175803725.db2.gz IBZWXEUAGCKXDN-ZDUSSCGKSA-N 1 0 279.343 2.801 50 0 CFAARO C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@@H](C)[NH2+]1 ZINC000070075384 175870586 /nfs/dbraw/zinc/87/05/86/175870586.db2.gz LJKDJJPLFGISBB-NXEZZACHSA-N 1 0 256.752 2.661 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000070176303 175879496 /nfs/dbraw/zinc/87/94/96/175879496.db2.gz ZSYSSWHBCQUKMZ-PWSUYJOCSA-N 1 0 266.410 2.510 50 0 CFAARO C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070253999 175884778 /nfs/dbraw/zinc/88/47/78/175884778.db2.gz MNANWJIWHLCNEX-TZMCWYRMSA-N 1 0 290.382 2.735 50 0 CFAARO C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576192 175991597 /nfs/dbraw/zinc/99/15/97/175991597.db2.gz AFRLSDPVVKZMCA-AGIUHOORSA-N 1 0 278.371 2.863 50 0 CFAARO C[NH+]1CCC(CC(=O)NCCSc2ccccc2)CC1 ZINC000071384798 176146967 /nfs/dbraw/zinc/14/69/67/176146967.db2.gz LTTDWWRHRVPHBB-UHFFFAOYSA-N 1 0 292.448 2.627 50 0 CFAARO OC1(CNc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000071616027 176234944 /nfs/dbraw/zinc/23/49/44/176234944.db2.gz BQHORDCKIUYVIO-UHFFFAOYSA-N 1 0 275.179 2.520 50 0 CFAARO Cn1nccc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000071808722 176267889 /nfs/dbraw/zinc/26/78/89/176267889.db2.gz YPTOLZBXDPVYKK-MRXNPFEDSA-N 1 0 269.392 2.842 50 0 CFAARO C[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000071820723 176270899 /nfs/dbraw/zinc/27/08/99/176270899.db2.gz BYTGHAZGBMLKOI-CQSZACIVSA-N 1 0 292.810 2.582 50 0 CFAARO Cc1ccc(NC(=O)CCOC(C)C)c(C[NH+](C)C)c1 ZINC000071905239 176296297 /nfs/dbraw/zinc/29/62/97/176296297.db2.gz XQNKIHQYCWGQTO-UHFFFAOYSA-N 1 0 278.396 2.810 50 0 CFAARO c1ccc(SCCN2CC[NH+](CC3CC3)CC2)cc1 ZINC000071910649 176297524 /nfs/dbraw/zinc/29/75/24/176297524.db2.gz JWBQTSZUFLTAAQ-UHFFFAOYSA-N 1 0 276.449 2.806 50 0 CFAARO CCCCCC[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000071920939 176300317 /nfs/dbraw/zinc/30/03/17/176300317.db2.gz NKQUEMYFEUVMIT-UHFFFAOYSA-N 1 0 254.418 2.757 50 0 CFAARO COc1ccccc1/C=C/C[NH2+]C1CCN(C2CC2)CC1 ZINC000071924521 176301446 /nfs/dbraw/zinc/30/14/46/176301446.db2.gz KDTBACOUBVDNLT-GQCTYLIASA-N 1 0 286.419 2.925 50 0 CFAARO CC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000072117490 176319287 /nfs/dbraw/zinc/31/92/87/176319287.db2.gz NXZBPAZUOCLLNA-HNNXBMFYSA-N 1 0 260.381 2.596 50 0 CFAARO O=c1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)cc[nH]1 ZINC000072138726 176322559 /nfs/dbraw/zinc/32/25/59/176322559.db2.gz GYTHNPCLFHDPCX-INIZCTEOSA-N 1 0 298.386 2.822 50 0 CFAARO Fc1ccc(N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000072139048 176323042 /nfs/dbraw/zinc/32/30/42/176323042.db2.gz PDSYKGZMXDTJNF-UHFFFAOYSA-N 1 0 285.366 2.933 50 0 CFAARO CC[C@H]1CN(Cc2cnn(C)c2C2CC2)CC[N@@H+]1C(C)C ZINC000072168541 176332227 /nfs/dbraw/zinc/33/22/27/176332227.db2.gz MNCGUEXDKWRMKO-INIZCTEOSA-N 1 0 290.455 2.602 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C)C2)C1 ZINC000072274364 176355724 /nfs/dbraw/zinc/35/57/24/176355724.db2.gz SYJUHBGPAAYFTM-CABCVRRESA-N 1 0 281.444 2.548 50 0 CFAARO COc1cccc([C@H](CNc2nnc(C)s2)[NH+](C)C)c1 ZINC000072293290 176362467 /nfs/dbraw/zinc/36/24/67/176362467.db2.gz AXZVTCPOBVRKMK-ZDUSSCGKSA-N 1 0 292.408 2.570 50 0 CFAARO OCCC1([NH2+]Cc2nc(-c3ccco3)no2)CCCCC1 ZINC000075110290 176661060 /nfs/dbraw/zinc/66/10/60/176661060.db2.gz UWRRTSBBUBGVRC-UHFFFAOYSA-N 1 0 291.351 2.505 50 0 CFAARO O=C(OCc1ccccc1)N1CCCC12CC[NH2+]CC2 ZINC000076914453 177132940 /nfs/dbraw/zinc/13/29/40/177132940.db2.gz UVSIDMYREVHKMO-UHFFFAOYSA-N 1 0 274.364 2.541 50 0 CFAARO CC(C)c1nc(C[N@H+](C)C[C@@H]2CCOC2)cs1 ZINC000077340242 177253818 /nfs/dbraw/zinc/25/38/18/177253818.db2.gz NMJMCXJXMCLJKR-NSHDSACASA-N 1 0 254.399 2.735 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(c2noc(-c3ccccc3)n2)C1 ZINC000077358720 177257194 /nfs/dbraw/zinc/25/71/94/177257194.db2.gz YPJZTXGINQNKNE-CYBMUJFWSA-N 1 0 298.390 2.800 50 0 CFAARO CCn1cc(C[NH+]2CCC([C@@H](O)CC(C)C)CC2)cn1 ZINC000077489817 177274297 /nfs/dbraw/zinc/27/42/97/177274297.db2.gz KAFQKICNCVABCV-INIZCTEOSA-N 1 0 279.428 2.522 50 0 CFAARO CC(C)c1nn(C)cc1C[NH2+]Cc1cccc(N(C)C)c1 ZINC000078552640 177353509 /nfs/dbraw/zinc/35/35/09/177353509.db2.gz KATWPGBMXLQDMC-UHFFFAOYSA-N 1 0 286.423 2.899 50 0 CFAARO Cc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)on1 ZINC000078704155 177373825 /nfs/dbraw/zinc/37/38/25/177373825.db2.gz QFHGTOWDXZKYPT-UHFFFAOYSA-N 1 0 273.336 2.605 50 0 CFAARO NC(=O)[C@@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1 ZINC000026220208 260131160 /nfs/dbraw/zinc/13/11/60/260131160.db2.gz CKEQTJISDKYXIT-HNNXBMFYSA-N 1 0 288.778 2.699 50 0 CFAARO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000038816175 260131733 /nfs/dbraw/zinc/13/17/33/260131733.db2.gz HTSCGVPJZSCYDO-ZIAGYGMSSA-N 1 0 276.380 2.514 50 0 CFAARO C1C[N@@H+](C2CSCCSC2)CC2(C1)CCOCC2 ZINC000827603719 782038318 /nfs/dbraw/zinc/03/83/18/782038318.db2.gz BYADLEQAANTTGU-UHFFFAOYSA-N 1 0 287.494 2.728 50 0 CFAARO O=C(NCCc1cccs1)C1([NH+]2CCCC2)CCCC1 ZINC000827661120 782041012 /nfs/dbraw/zinc/04/10/12/782041012.db2.gz FYFVJYVQOVFKNW-UHFFFAOYSA-N 1 0 292.448 2.815 50 0 CFAARO C[C@@H](C1CCN(c2ccc(F)cn2)CC1)[NH+]1CCCC1 ZINC000095391816 274206011 /nfs/dbraw/zinc/20/60/11/274206011.db2.gz UDSDFVUDZCKJIZ-ZDUSSCGKSA-N 1 0 277.387 2.921 50 0 CFAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H]1CCCc3ccccc31)CN2 ZINC000065625485 274729859 /nfs/dbraw/zinc/72/98/59/274729859.db2.gz ACWZHVJHFOWKIF-YOEHRIQHSA-N 1 0 296.418 2.900 50 0 CFAARO Clc1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000055292515 274881415 /nfs/dbraw/zinc/88/14/15/274881415.db2.gz VNXLJDWQUFOKTM-AWEZNQCLSA-N 1 0 282.840 2.968 50 0 CFAARO Nc1c2ccccc2oc(=O)c1C[NH+]1CCCCCC1 ZINC000003850683 274964124 /nfs/dbraw/zinc/96/41/24/274964124.db2.gz XGOYMBAATJGHCG-UHFFFAOYSA-N 1 0 272.348 2.751 50 0 CFAARO O=C1CCCc2cc(O[C@@]34CC[N@H+](C3)CCC4)ccc21 ZINC000067954261 275017513 /nfs/dbraw/zinc/01/75/13/275017513.db2.gz XTILBJCJCDQCDL-KRWDZBQOSA-N 1 0 271.360 2.823 50 0 CFAARO CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100566 275515069 /nfs/dbraw/zinc/51/50/69/275515069.db2.gz QARCOPDMYGQRIE-UHFFFAOYSA-N 1 0 274.408 2.813 50 0 CFAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CCCCC1 ZINC000225478612 275899741 /nfs/dbraw/zinc/89/97/41/275899741.db2.gz DSZWWIIHECDBGW-AWEZNQCLSA-N 1 0 252.402 2.579 50 0 CFAARO CCCN1CCn2c3ccc(OC)cc3c3c2C1=[NH+]CC3 ZINC000000489153 276014122 /nfs/dbraw/zinc/01/41/22/276014122.db2.gz PZCCWLITYSUDQY-UHFFFAOYSA-N 1 0 283.375 2.678 50 0 CFAARO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000158053765 276056615 /nfs/dbraw/zinc/05/66/15/276056615.db2.gz LABHOCUJCIAKKI-DOMZBBRYSA-N 1 0 260.381 2.821 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000004698811 276099409 /nfs/dbraw/zinc/09/94/09/276099409.db2.gz VHNVNWBFSZXKIJ-UHFFFAOYSA-N 1 0 293.798 2.893 50 0 CFAARO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002113 287876784 /nfs/dbraw/zinc/87/67/84/287876784.db2.gz NVAGHGPADPQEDU-JGVFFNPUSA-N 1 0 278.215 2.932 50 0 CFAARO CC[C@H]([NH3+])c1nc2cccc(F)c2c(=O)n1-c1ccccc1 ZINC000095079999 276580689 /nfs/dbraw/zinc/58/06/89/276580689.db2.gz BNMGOWXQUZHWIO-ZDUSSCGKSA-N 1 0 297.333 2.935 50 0 CFAARO Brc1cc[nH+]c(NN2CCCCC2)c1 ZINC000095081342 276769916 /nfs/dbraw/zinc/76/99/16/276769916.db2.gz HPBHBMJIZPRWBE-UHFFFAOYSA-N 1 0 256.147 2.657 50 0 CFAARO COC(=O)C1(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000252486080 277049811 /nfs/dbraw/zinc/04/98/11/277049811.db2.gz DUTLRXDYCLDNMG-BTTYYORXSA-N 1 0 283.412 2.656 50 0 CFAARO C[NH2+]CCCNCc1cc(Cl)cc(Cl)c1OC ZINC000057364352 277268476 /nfs/dbraw/zinc/26/84/76/277268476.db2.gz INSAIOLJPOJTMJ-UHFFFAOYSA-N 1 0 277.195 2.701 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000127684872 277277998 /nfs/dbraw/zinc/27/79/98/277277998.db2.gz KTCRGDWRKGDRBA-LBPRGKRZSA-N 1 0 286.297 2.529 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000127685098 277285006 /nfs/dbraw/zinc/28/50/06/277285006.db2.gz KTCRGDWRKGDRBA-GFCCVEGCSA-N 1 0 286.297 2.529 50 0 CFAARO COC(=O)C1(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)CCCCC1 ZINC000097108664 277309366 /nfs/dbraw/zinc/30/93/66/277309366.db2.gz DUTLRXDYCLDNMG-STQMWFEESA-N 1 0 283.412 2.656 50 0 CFAARO CC(C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000025460718 277332656 /nfs/dbraw/zinc/33/26/56/277332656.db2.gz YCISCJXJZALNCR-UHFFFAOYSA-N 1 0 274.408 2.596 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000249171808 277630245 /nfs/dbraw/zinc/63/02/45/277630245.db2.gz BXCBFHSMDCOBIK-WOPDTQHZSA-N 1 0 292.345 2.706 50 0 CFAARO CSCC[N@H+](C)Cc1cc(C)ccc1-n1cccn1 ZINC000216333876 278129630 /nfs/dbraw/zinc/12/96/30/278129630.db2.gz QWHILYIXHSADTM-UHFFFAOYSA-N 1 0 275.421 2.976 50 0 CFAARO CC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)CC1(C)C ZINC000000097860 278222556 /nfs/dbraw/zinc/22/25/56/278222556.db2.gz PKHXKOWXJNZTIG-INIZCTEOSA-N 1 0 261.365 2.807 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000106077626 278332691 /nfs/dbraw/zinc/33/26/91/278332691.db2.gz QFJKRIBSYITRKW-CMPLNLGQSA-N 1 0 293.238 2.561 50 0 CFAARO C[C@@H]([NH2+]CC1CCC1)c1ccc(-n2ccnn2)cc1 ZINC000095986058 278341777 /nfs/dbraw/zinc/34/17/77/278341777.db2.gz QYKXNNFQFVEJDC-GFCCVEGCSA-N 1 0 256.353 2.718 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000097159448 279054878 /nfs/dbraw/zinc/05/48/78/279054878.db2.gz OUDYCSPMWSFHTI-MRXNPFEDSA-N 1 0 290.386 2.558 50 0 CFAARO C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)[C@H]1C[NH3+] ZINC000070176593 279663372 /nfs/dbraw/zinc/66/33/72/279663372.db2.gz AMYZELFISSJGKH-ZANVPECISA-N 1 0 284.762 2.679 50 0 CFAARO O=C(C1CCC1)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000085473278 279738857 /nfs/dbraw/zinc/73/88/57/279738857.db2.gz YVHUBHSLBOBEFB-OAHLLOKOSA-N 1 0 296.480 2.607 50 0 CFAARO Cc1cc(C)n(-c2ccc(C[NH3+])c(C(F)(F)F)c2)n1 ZINC000037306635 280431743 /nfs/dbraw/zinc/43/17/43/280431743.db2.gz HVVADCGPMJHVHO-UHFFFAOYSA-N 1 0 269.270 2.967 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C\c2c(F)cccc2F)C1 ZINC000255002351 281083909 /nfs/dbraw/zinc/08/39/09/281083909.db2.gz FRQKZLZFAIIUGA-FUMJMOHISA-N 1 0 294.345 2.564 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1CCC1 ZINC000000052224 281127847 /nfs/dbraw/zinc/12/78/47/281127847.db2.gz AMXKHKZYEPHIKK-NVXWUHKLSA-N 1 0 284.403 2.929 50 0 CFAARO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@@H](C(N)=O)C1 ZINC000527667654 281338941 /nfs/dbraw/zinc/33/89/41/281338941.db2.gz YGMJCPKPGBCXNN-MNOVXSKESA-N 1 0 276.371 2.692 50 0 CFAARO CCC(C)(C)OC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000008844686 282032394 /nfs/dbraw/zinc/03/23/94/282032394.db2.gz VYRKPHWIIBNPNU-MELADBBJSA-N 1 0 257.418 2.530 50 0 CFAARO C[C@@]([NH2+]C1CCCCC1)(C(N)=O)C1CCCCC1 ZINC000000393456 289110540 /nfs/dbraw/zinc/11/05/40/289110540.db2.gz VYFRNIYBZRNUJK-HNNXBMFYSA-N 1 0 252.402 2.733 50 0 CFAARO CN1C(=O)C[C@@H]([NH2+]CCCF)[C@H]1c1ccc(Cl)cc1 ZINC000192159713 289829034 /nfs/dbraw/zinc/82/90/34/289829034.db2.gz QBRWSCLSIYPEJN-TZMCWYRMSA-N 1 0 284.762 2.561 50 0 CFAARO NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000095985787 295048710 /nfs/dbraw/zinc/04/87/10/295048710.db2.gz BHSYSACRQBQBIW-AWEZNQCLSA-N 1 0 266.772 2.646 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)cc1OC ZINC000005605257 295228043 /nfs/dbraw/zinc/22/80/43/295228043.db2.gz IWVGVUFXHMKTRI-RRQGHBQHSA-N 1 0 291.391 2.660 50 0 CFAARO Nc1ncnc2ccc(-c3cccc4c3CC[NH2+]C4)cc12 ZINC000072134643 295375617 /nfs/dbraw/zinc/37/56/17/295375617.db2.gz BRLJJAGWTAJWFI-UHFFFAOYSA-N 1 0 276.343 2.525 50 0 CFAARO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000453193470 298921124 /nfs/dbraw/zinc/92/11/24/298921124.db2.gz IEDVWSPPQDVXMG-VKJFTORMSA-N 1 0 298.434 2.689 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH+]2CCCCC2)ccc1Cl ZINC000002451891 301378011 /nfs/dbraw/zinc/37/80/11/301378011.db2.gz SNPRMKLIRRPIMC-CYBMUJFWSA-N 1 0 283.799 2.874 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237544773 302167293 /nfs/dbraw/zinc/16/72/93/302167293.db2.gz LQPZLHPDCCCFFA-DAYGRLMNSA-N 1 0 286.419 2.699 50 0 CFAARO [NH3+][C@H](C(=O)NCCCc1ccccc1F)C1CCCCC1 ZINC000828119201 782071518 /nfs/dbraw/zinc/07/15/18/782071518.db2.gz OSLSGXNFFVZCOQ-INIZCTEOSA-N 1 0 292.398 2.782 50 0 CFAARO CCSC[C@H](C)[NH2+]C1CCN(C(=O)C2CCCC2)CC1 ZINC000534580392 328311551 /nfs/dbraw/zinc/31/15/51/328311551.db2.gz DZBOVDWORKBREH-ZDUSSCGKSA-N 1 0 298.496 2.899 50 0 CFAARO Cc1cccnc1NCCNC(=O)N1CCCCCCC1 ZINC000534585935 328315256 /nfs/dbraw/zinc/31/52/56/328315256.db2.gz VLTCUAXLGCRGMS-UHFFFAOYSA-N 1 0 290.411 2.778 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)c2ccc(O)c(F)c2)CCCC1 ZINC000534637698 328334332 /nfs/dbraw/zinc/33/43/32/328334332.db2.gz NEQIQMBRSHANRZ-UHFFFAOYSA-N 1 0 294.370 2.526 50 0 CFAARO c1ccc(OCC2(C[NH2+][C@H]3CCSC3)CC2)cc1 ZINC000534659607 328342245 /nfs/dbraw/zinc/34/22/45/328342245.db2.gz LJGBOKDBHRYMPG-ZDUSSCGKSA-N 1 0 263.406 2.941 50 0 CFAARO CC[NH+](CC)CC1(NC(=O)c2c(C)cccc2F)CC1 ZINC000534658156 328341314 /nfs/dbraw/zinc/34/13/14/328341314.db2.gz OQYNDFAEKWUPHJ-UHFFFAOYSA-N 1 0 278.371 2.738 50 0 CFAARO CCCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000534674614 328349572 /nfs/dbraw/zinc/34/95/72/328349572.db2.gz FFTOVNWIANQPLJ-CYBMUJFWSA-N 1 0 295.402 2.697 50 0 CFAARO Cc1ccc(-c2cc(C[NH2+][C@H]3CCCOC3)no2)cc1 ZINC000534662169 328350043 /nfs/dbraw/zinc/35/00/43/328350043.db2.gz KQOFYBBRTZTIIJ-AWEZNQCLSA-N 1 0 272.348 2.919 50 0 CFAARO Cc1cccc2[nH]c(C[NH2+][C@@H]3CCCSC3)nc21 ZINC000534662394 328350380 /nfs/dbraw/zinc/35/03/80/328350380.db2.gz JXPRSYYTMOGCRD-LLVKDONJSA-N 1 0 261.394 2.857 50 0 CFAARO CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000158054061 323630077 /nfs/dbraw/zinc/63/00/77/323630077.db2.gz LABHOCUJCIAKKI-WFASDCNBSA-N 1 0 260.381 2.821 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000191107702 324045722 /nfs/dbraw/zinc/04/57/22/324045722.db2.gz RIRRUKFSTYUOCM-KGLIPLIRSA-N 1 0 287.469 2.782 50 0 CFAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000192720893 324064453 /nfs/dbraw/zinc/06/44/53/324064453.db2.gz DHYHMGVYMSSEIQ-WOPDTQHZSA-N 1 0 273.442 2.695 50 0 CFAARO C[NH2+]CC(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000193135901 324068967 /nfs/dbraw/zinc/06/89/67/324068967.db2.gz IHAIHPUAPFZYBQ-UHFFFAOYSA-N 1 0 286.400 2.673 50 0 CFAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000195573491 324109349 /nfs/dbraw/zinc/10/93/49/324109349.db2.gz QUTHFQTYLLSWOJ-QGZVFWFLSA-N 1 0 298.390 2.506 50 0 CFAARO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC1CCCC1 ZINC000069623672 327100655 /nfs/dbraw/zinc/10/06/55/327100655.db2.gz DAOSQWPKIULPCB-GFCCVEGCSA-N 1 0 296.436 2.517 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@H]([NH3+])C2 ZINC000095876165 327203413 /nfs/dbraw/zinc/20/34/13/327203413.db2.gz VFQDVULOICIHJT-FZMZJTMJSA-N 1 0 254.374 2.515 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)s1 ZINC000096477630 329526795 /nfs/dbraw/zinc/52/67/95/329526795.db2.gz KSICDGBVDWBUAM-CYBMUJFWSA-N 1 0 282.453 2.818 50 0 CFAARO CC1(C)C[C@@H](O)CC[N@H+](CCCc2ccco2)C1 ZINC000828629971 782098519 /nfs/dbraw/zinc/09/85/19/782098519.db2.gz ADUOFALNEDQPLM-ZDUSSCGKSA-N 1 0 251.370 2.695 50 0 CFAARO CC(C)CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000061758199 519679969 /nfs/dbraw/zinc/67/99/69/519679969.db2.gz NNARRNMSMRZNPJ-CQSZACIVSA-N 1 0 254.418 2.659 50 0 CFAARO Cc1cc(CN2CCC[C@@H]([NH+]3CCCCCC3)C2)on1 ZINC000069655604 500957694 /nfs/dbraw/zinc/95/76/94/500957694.db2.gz VCYUGAAEZJPUFA-OAHLLOKOSA-N 1 0 277.412 2.823 50 0 CFAARO COc1cc(C[NH2+]C[C@H]2CCCS2)cc(OC)c1 ZINC000122044384 533885149 /nfs/dbraw/zinc/88/51/49/533885149.db2.gz AWMYTERQRCCRPK-CQSZACIVSA-N 1 0 267.394 2.689 50 0 CFAARO Cc1cc2cc(C[NH2+]C3(CO)CCOCC3)oc2cc1C ZINC000096453978 534089340 /nfs/dbraw/zinc/08/93/40/534089340.db2.gz ISITVHYXXCVRTD-UHFFFAOYSA-N 1 0 289.375 2.681 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000096477185 534156314 /nfs/dbraw/zinc/15/63/14/534156314.db2.gz WDSJZQUNPNELRW-NEPJUHHUSA-N 1 0 252.427 2.751 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000096447529 534198129 /nfs/dbraw/zinc/19/81/29/534198129.db2.gz LGTBDOURKJSQFQ-RHSMWYFYSA-N 1 0 284.359 2.715 50 0 CFAARO O=C(CC[NH2+]C/C=C\c1ccccc1)NC1CCCC1 ZINC000098009387 534430789 /nfs/dbraw/zinc/43/07/89/534430789.db2.gz ACQDCHBABPNMKS-TWGQIWQCSA-N 1 0 272.392 2.738 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000165336358 522083328 /nfs/dbraw/zinc/08/33/28/522083328.db2.gz LOQDKKDXDQRTND-SNVBAGLBSA-N 1 0 284.762 2.551 50 0 CFAARO C[NH2+]Cc1cc(-c2ccc(F)c(Br)c2)n[nH]1 ZINC000061690653 522104457 /nfs/dbraw/zinc/10/44/57/522104457.db2.gz AWSFBRCIGKPPLW-UHFFFAOYSA-N 1 0 284.132 2.698 50 0 CFAARO CCc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C ZINC000083817794 522468575 /nfs/dbraw/zinc/46/85/75/522468575.db2.gz DANSFLODBXBXOK-ZYHUDNBSSA-N 1 0 252.383 2.550 50 0 CFAARO COC[C@@H]1CC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215101060 522474500 /nfs/dbraw/zinc/47/45/00/522474500.db2.gz DAWIFVYPMCZAIC-CQSZACIVSA-N 1 0 289.423 2.993 50 0 CFAARO CCc1cc(N[C@H]2CC[C@@H]([NH3+])CC2)n2nc(C)c(C)c2n1 ZINC000244893038 523825704 /nfs/dbraw/zinc/82/57/04/523825704.db2.gz YUCVMBDMMQKPEU-XBXGTLAGSA-N 1 0 287.411 2.590 50 0 CFAARO Cc1cccc(C)c1NC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335142425 524286218 /nfs/dbraw/zinc/28/62/18/524286218.db2.gz UYHZPAXCVGVXBJ-LSDHHAIUSA-N 1 0 287.407 2.861 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCCOC2CCOCC2)C[C@H]1C ZINC000240454667 524614018 /nfs/dbraw/zinc/61/40/18/524614018.db2.gz FXYPGOHNCSWAJC-RBSFLKMASA-N 1 0 269.429 2.986 50 0 CFAARO CC1(C)[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C[C@@H]1c1ccccc1 ZINC000123500157 527876677 /nfs/dbraw/zinc/87/66/77/527876677.db2.gz VUECLIOGQMGFQB-BZUAXINKSA-N 1 0 296.418 2.765 50 0 CFAARO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(C)c(C)c2)C1(C)C ZINC000170602236 527974722 /nfs/dbraw/zinc/97/47/22/527974722.db2.gz XQTUZDYBOSXPBN-SJLPKXTDSA-N 1 0 291.435 2.959 50 0 CFAARO CC[NH+]1CCC(NCc2cccc(Cl)c2)CC1 ZINC000000757602 528986353 /nfs/dbraw/zinc/98/63/53/528986353.db2.gz QYBRNCPWJKAJCK-UHFFFAOYSA-N 1 0 252.789 2.914 50 0 CFAARO CC[C@@H](O)C[NH+]1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000096473662 529226220 /nfs/dbraw/zinc/22/62/20/529226220.db2.gz REYDGAACIBFPQS-GFCCVEGCSA-N 1 0 291.370 2.652 50 0 CFAARO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H](O)c1ccncc1 ZINC000090713150 566954412 /nfs/dbraw/zinc/95/44/12/566954412.db2.gz CNRSICPTHKVGEL-RHSMWYFYSA-N 1 0 270.376 2.644 50 0 CFAARO Cn1c2ccccc2nc1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000216059921 570304951 /nfs/dbraw/zinc/30/49/51/570304951.db2.gz ZALGEIMEKSFRLD-AWEZNQCLSA-N 1 0 299.418 2.789 50 0 CFAARO O=c1c2cc(-c3ccccc3)sc2ncn1[C@H]1CC[NH2+]C1 ZINC000670452334 570400152 /nfs/dbraw/zinc/40/01/52/570400152.db2.gz RCVHITUKZQYADT-LBPRGKRZSA-N 1 0 297.383 2.659 50 0 CFAARO CCC1(CC)C[C@@H]1C[NH2+]Cc1c(CO)cnc(C)c1O ZINC000952981155 614689551 /nfs/dbraw/zinc/68/95/51/614689551.db2.gz ZOEVGHZKWOAMFP-CYBMUJFWSA-N 1 0 278.396 2.504 50 0 CFAARO CCc1nccn1CCC[NH2+]Cc1ccc(F)c(OC)c1 ZINC000952975220 615777224 /nfs/dbraw/zinc/77/72/24/615777224.db2.gz OMJOPGJGKDJHPY-UHFFFAOYSA-N 1 0 291.370 2.773 50 0 CFAARO Cn1cc(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000022918931 618028224 /nfs/dbraw/zinc/02/82/24/618028224.db2.gz LHBCHNPMGMZKAU-SFHVURJKSA-N 1 0 298.434 2.517 50 0 CFAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccncc2)CC1 ZINC000022146147 617994425 /nfs/dbraw/zinc/99/44/25/617994425.db2.gz YQKCXKYTYWMMKM-NVXWUHKLSA-N 1 0 273.424 2.778 50 0 CFAARO COCC[NH2+]CCOc1c(C)cc(Cl)cc1Cl ZINC000002933278 618096134 /nfs/dbraw/zinc/09/61/34/618096134.db2.gz HGINWEQANDJCLJ-UHFFFAOYSA-N 1 0 278.179 2.917 50 0 CFAARO Cc1nocc1[C@H](C)[NH2+]CCCNC(=O)c1cccs1 ZINC000888098599 619132441 /nfs/dbraw/zinc/13/24/41/619132441.db2.gz LRVMFPXVWYAAEO-JTQLQIEISA-N 1 0 293.392 2.515 50 0 CFAARO Cc1cc(=O)oc2cc([NH+]=c3ccccn3C)ccc12 ZINC000888105035 619140350 /nfs/dbraw/zinc/14/03/50/619140350.db2.gz AUHTVELIXMJVCD-UHFFFAOYSA-N 1 0 266.300 2.672 50 0 CFAARO C[NH+](C)CC[C@@H]1CCN(c2ncnc3c(F)cccc32)C1 ZINC000904217947 621551995 /nfs/dbraw/zinc/55/19/95/621551995.db2.gz XWUXYIPNZXDPQW-GFCCVEGCSA-N 1 0 288.370 2.547 50 0 CFAARO COCC[N@@H+]1CCC[C@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC000012028268 626244335 /nfs/dbraw/zinc/24/43/35/626244335.db2.gz YGWJXWLALSEMBT-KRWDZBQOSA-N 1 0 292.423 2.522 50 0 CFAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](C)CC1 ZINC000012228200 626258725 /nfs/dbraw/zinc/25/87/25/626258725.db2.gz KJMGNCWJCYYLGO-UHFFFAOYSA-N 1 0 291.391 2.731 50 0 CFAARO O=C(c1ccc(F)cc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186540833 626303983 /nfs/dbraw/zinc/30/39/83/626303983.db2.gz QKRCGSZCXWZFNT-LLVKDONJSA-N 1 0 296.773 2.836 50 0 CFAARO O=C(c1ccc(F)cc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186540812 626304020 /nfs/dbraw/zinc/30/40/20/626304020.db2.gz QKRCGSZCXWZFNT-NSHDSACASA-N 1 0 296.773 2.836 50 0 CFAARO Cc1ccc(Oc2ncccc2C[NH2+]C2CCOCC2)cn1 ZINC000012432841 626405751 /nfs/dbraw/zinc/40/57/51/626405751.db2.gz KZAMPELWFUQMIE-UHFFFAOYSA-N 1 0 299.374 2.846 50 0 CFAARO C[C@](O)(C[NH2+]C1CC2(CCC2)C1)c1ccsc1 ZINC000772877732 627753697 /nfs/dbraw/zinc/75/36/97/627753697.db2.gz JMLNTCDQNNQBCD-ZDUSSCGKSA-N 1 0 251.395 2.878 50 0 CFAARO C[C@@H]1C[C@@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C[C@H](C)[NH2+]1 ZINC000757215505 630884440 /nfs/dbraw/zinc/88/44/40/630884440.db2.gz VNWPWQXZILJDAA-IYKVGLELSA-N 1 0 264.335 2.694 50 0 CFAARO O=S(=O)(c1ccccc1)C1CC([NH2+]C2CCCC2)C1 ZINC000864087073 637867335 /nfs/dbraw/zinc/86/73/35/637867335.db2.gz OSUWCGUPHAPDIT-UHFFFAOYSA-N 1 0 279.405 2.524 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872031551 641562150 /nfs/dbraw/zinc/56/21/50/641562150.db2.gz QPPQCUYDGINZAO-UAGQMJEPSA-N 1 0 287.403 2.726 50 0 CFAARO COc1ccc(/C=C/C[N@H+](C)Cc2c[nH]nc2C)cc1 ZINC000952967420 650790197 /nfs/dbraw/zinc/79/01/97/650790197.db2.gz LKMHZYYVTQFJEI-SNAWJCMRSA-N 1 0 271.364 2.872 50 0 CFAARO Cc1cccc([C@@H](C(=O)NCCCn2cccc2)N(C)C)c1 ZINC000952987127 650791867 /nfs/dbraw/zinc/79/18/67/650791867.db2.gz JMZHKZHSBHJQMV-KRWDZBQOSA-N 1 0 299.418 2.606 50 0 CFAARO C(=C/c1ccco1)\C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000089857913 650856770 /nfs/dbraw/zinc/85/67/70/650856770.db2.gz BSUMRVOZSDYEGS-YFCVBGDOSA-N 1 0 255.317 2.886 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CN2c3ccccc3SCC2=O)C1 ZINC000095358981 650971929 /nfs/dbraw/zinc/97/19/29/650971929.db2.gz GRVCTRDGPJECMR-CYBMUJFWSA-N 1 0 290.432 2.856 50 0 CFAARO CCCOc1ccccc1C[N@@H+]1CC[C@@H](COC)C1 ZINC000216029507 645987501 /nfs/dbraw/zinc/98/75/01/645987501.db2.gz AUBPPGSEGNCQEL-CQSZACIVSA-N 1 0 263.381 2.944 50 0 CFAARO C1=C/C(=C2/NN=C(SCCc3ccccc3)O2)[NH+]=C1 ZINC000105270582 647758867 /nfs/dbraw/zinc/75/88/67/647758867.db2.gz KCYQNYYLHFWMTL-OUKQBFOZSA-N 1 0 271.345 2.663 50 0 CFAARO CCC[C@]1(C)C(=O)NCCN1Cc1cccc2cccnc21 ZINC000187305425 648123464 /nfs/dbraw/zinc/12/34/64/648123464.db2.gz JJYCHRFRNYKCTI-GOSISDBHSA-N 1 0 297.402 2.725 50 0 CFAARO Cc1c(C[NH+]2CCC(C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000000183171 651099771 /nfs/dbraw/zinc/09/97/71/651099771.db2.gz RJMQCYJKSWKXLW-UHFFFAOYSA-N 1 0 299.418 2.716 50 0 CFAARO CC[NH2+]CC[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1 ZINC000015003468 651184740 /nfs/dbraw/zinc/18/47/40/651184740.db2.gz GABCPZYCRVEBAE-CQSZACIVSA-N 1 0 280.799 2.831 50 0 CFAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](C)CC1 ZINC000015074303 651184777 /nfs/dbraw/zinc/18/47/77/651184777.db2.gz QGIOBIOIWICABC-UHFFFAOYSA-N 1 0 279.355 2.643 50 0 CFAARO CC1=C(CC[N@H+]2CCN(C)[C@@H](CCO)C2)C(C)(C)CCC1 ZINC000020782223 651301384 /nfs/dbraw/zinc/30/13/84/651301384.db2.gz XNMXDNCXTLFIMM-INIZCTEOSA-N 1 0 294.483 2.902 50 0 CFAARO Cc1ccc(-c2cc(CN(C)Cc3cn(C)nc3C)[nH]n2)o1 ZINC000020863558 651301850 /nfs/dbraw/zinc/30/18/50/651301850.db2.gz OKAKZSQEQMCLGD-UHFFFAOYSA-N 1 0 299.378 2.652 50 0 CFAARO Nc1[nH]c2ccc(C(F)(F)C(F)(F)F)cc2[nH+]1 ZINC000725343470 775365420 /nfs/dbraw/zinc/36/54/20/775365420.db2.gz ADDZAUMCNGTEPR-UHFFFAOYSA-N 1 0 251.158 2.799 50 0 CFAARO Cc1nc2[nH]cnc2cc1-c1ccc(C[NH+](C)C)cc1 ZINC000426746129 777036272 /nfs/dbraw/zinc/03/62/72/777036272.db2.gz RHBJCPHBLPKRBD-UHFFFAOYSA-N 1 0 266.348 2.995 50 0 CFAARO COC(C)(C)CCC[C@@H](C)CC[NH2+]C[C@H]1COCCO1 ZINC000032593127 779073174 /nfs/dbraw/zinc/07/31/74/779073174.db2.gz LAWRPDCZPOXVBA-CABCVRRESA-N 1 0 287.444 2.613 50 0 CFAARO CC[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)n1cccc1 ZINC000822673474 781908787 /nfs/dbraw/zinc/90/87/87/781908787.db2.gz MZXMOFZTQPWZNX-HNNXBMFYSA-N 1 0 291.439 2.820 50 0 CFAARO Cc1ccccc1O[C@@H](C)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000096437228 230372099 /nfs/dbraw/zinc/37/20/99/230372099.db2.gz NUZMJZXGLIIAKT-YOEHRIQHSA-N 1 0 298.386 2.579 50 0 CFAARO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCN2CCOC2=O)C1 ZINC000096441532 230373075 /nfs/dbraw/zinc/37/30/75/230373075.db2.gz JWIACOQJQILTOG-IUODEOHRSA-N 1 0 292.354 2.661 50 0 CFAARO CCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@H]1[NH+](C)C ZINC000082116371 177922745 /nfs/dbraw/zinc/92/27/45/177922745.db2.gz SHAUEOAOYGPJEB-HUUCEWRRSA-N 1 0 290.407 2.577 50 0 CFAARO Cn1c(SCC2CCCCC2)nnc1C1CC[NH2+]CC1 ZINC000426470496 230419035 /nfs/dbraw/zinc/41/90/35/230419035.db2.gz CMAGLGOALDLTMN-UHFFFAOYSA-N 1 0 294.468 2.955 50 0 CFAARO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000095955897 185042836 /nfs/dbraw/zinc/04/28/36/185042836.db2.gz KLUDHUUYDSZNDM-KCQAQPDRSA-N 1 0 260.381 2.816 50 0 CFAARO CC[C@@H](C(=O)OCc1cccc(N(C)C)c1)[NH+](CC)CC ZINC000095961447 185043987 /nfs/dbraw/zinc/04/39/87/185043987.db2.gz YINHBOGSQKOVFU-INIZCTEOSA-N 1 0 292.423 2.916 50 0 CFAARO C[C@H](COc1ccc(F)c(F)c1)[NH2+]Cc1cccnc1 ZINC000095967086 185047033 /nfs/dbraw/zinc/04/70/33/185047033.db2.gz BBGDAIKEIBRQLK-LLVKDONJSA-N 1 0 278.302 2.917 50 0 CFAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000095968909 185047519 /nfs/dbraw/zinc/04/75/19/185047519.db2.gz IVABNEZAKYDYOG-BZUAXINKSA-N 1 0 277.433 2.910 50 0 CFAARO CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000095968895 185047682 /nfs/dbraw/zinc/04/76/82/185047682.db2.gz OMHKUXCJDIJRMU-IUODEOHRSA-N 1 0 281.421 2.604 50 0 CFAARO COc1cccc(F)c1[C@H](C)[NH2+]CCNC(=O)C(C)(C)C ZINC000095968710 185047791 /nfs/dbraw/zinc/04/77/91/185047791.db2.gz FACNGVOCKUTRIY-NSHDSACASA-N 1 0 296.386 2.647 50 0 CFAARO C[C@H](CC(N)=O)[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000095969237 185047970 /nfs/dbraw/zinc/04/79/70/185047970.db2.gz MMWXUHSICHQZJP-BZNIZROVSA-N 1 0 278.371 2.911 50 0 CFAARO Clc1cccc(N2CC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)c1 ZINC000095983565 185054496 /nfs/dbraw/zinc/05/44/96/185054496.db2.gz SNYLHQQGHKBDMJ-GXTWGEPZSA-N 1 0 280.799 2.545 50 0 CFAARO OCC[C@@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCOC1 ZINC000095985081 185055248 /nfs/dbraw/zinc/05/52/48/185055248.db2.gz KSWAKXQHLFUHKX-IRXDYDNUSA-N 1 0 293.382 2.582 50 0 CFAARO CC(C)(C[NH2+][C@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000095984288 185055509 /nfs/dbraw/zinc/05/55/09/185055509.db2.gz OIUPOQKWMJDLBA-HIFRSBDPSA-N 1 0 274.408 2.598 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCSC2)c(N2CCCC2)n1 ZINC000096004787 185063063 /nfs/dbraw/zinc/06/30/63/185063063.db2.gz BTERJELCJMZLED-CQSZACIVSA-N 1 0 277.437 2.585 50 0 CFAARO CSC[C@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000096008395 185063633 /nfs/dbraw/zinc/06/36/33/185063633.db2.gz CBJSVGBKAAYUGD-LLVKDONJSA-N 1 0 288.420 2.539 50 0 CFAARO CN(C)c1cc[nH+]c(NC(=O)CCc2ccsc2)c1 ZINC000096010798 185064494 /nfs/dbraw/zinc/06/44/94/185064494.db2.gz NEJQDEHZEPFHNN-UHFFFAOYSA-N 1 0 275.377 2.780 50 0 CFAARO Fc1ccc(Cc2cnc([C@H]3CCC[NH2+]C3)o2)cc1 ZINC000096032175 185067499 /nfs/dbraw/zinc/06/74/99/185067499.db2.gz MQMPCDCSFVMEFM-LBPRGKRZSA-N 1 0 260.312 2.872 50 0 CFAARO Cc1nnc(-c2cccc(-c3ccc(C[NH3+])nc3)c2)o1 ZINC000096140999 185106370 /nfs/dbraw/zinc/10/63/70/185106370.db2.gz QYQYRKMIYIXPNS-UHFFFAOYSA-N 1 0 266.304 2.566 50 0 CFAARO c1cc(C[NH+]2CCC(n3cc(C4CC4)nn3)CC2)co1 ZINC000096836658 185115524 /nfs/dbraw/zinc/11/55/24/185115524.db2.gz YJZOWGRQBXHUTB-UHFFFAOYSA-N 1 0 272.352 2.586 50 0 CFAARO Cc1c(C[NH2+][C@@H](C)[C@@H](C)Oc2ccccc2F)cnn1C ZINC000097021687 185153757 /nfs/dbraw/zinc/15/37/57/185153757.db2.gz UCHVMQJJVVYOMW-WCQYABFASA-N 1 0 291.370 2.813 50 0 CFAARO Cc1cccc([C@@H](C)[NH2+]CC(=O)NCc2cccnc2)c1C ZINC000097033505 185156150 /nfs/dbraw/zinc/15/61/50/185156150.db2.gz LULNIVMYIGPBIX-OAHLLOKOSA-N 1 0 297.402 2.665 50 0 CFAARO C[C@H](OC(=O)c1ccn2c[nH+]cc2c1)c1ccccn1 ZINC000097034301 185156711 /nfs/dbraw/zinc/15/67/11/185156711.db2.gz PEYRQQRYFBKIJO-NSHDSACASA-N 1 0 267.288 2.647 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ncc(C)s2)C1(C)C ZINC000097034587 185156843 /nfs/dbraw/zinc/15/68/43/185156843.db2.gz RVAYZOCXBHDSST-WDEREUQCSA-N 1 0 254.399 2.745 50 0 CFAARO CC(=O)Nc1ccc(C)c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000097034032 185157404 /nfs/dbraw/zinc/15/74/04/185157404.db2.gz MRBWVQCCSNIABF-DOMZBBRYSA-N 1 0 287.407 2.991 50 0 CFAARO O=C([C@H]1CCC[NH2+]1)N1CC2(CCCC2)c2c1cccc2F ZINC000070813919 346914360 /nfs/dbraw/zinc/91/43/60/346914360.db2.gz GRPCGLZTXJJCOA-CYBMUJFWSA-N 1 0 288.366 2.736 50 0 CFAARO Cc1cc(C(=O)N(CC[NH+]2CCCC2)c2ccccc2)on1 ZINC000072292273 346924783 /nfs/dbraw/zinc/92/47/83/346924783.db2.gz OQNMMTGJQUSTBY-UHFFFAOYSA-N 1 0 299.374 2.726 50 0 CFAARO CC(C)=CC[N@@H+](C)[C@@H]1CCCN(c2ccc(C)nn2)C1 ZINC000072276680 346924985 /nfs/dbraw/zinc/92/49/85/346924985.db2.gz AVZLLOSHKRONRN-OAHLLOKOSA-N 1 0 274.412 2.652 50 0 CFAARO c1cc([C@@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)n[nH]1 ZINC000072299794 346925426 /nfs/dbraw/zinc/92/54/26/346925426.db2.gz LCXDHTKSDWIDPY-MRXNPFEDSA-N 1 0 297.402 2.767 50 0 CFAARO COc1cccc(CCC[N@@H+]2CCC[C@@H](CCO)C2)c1 ZINC000072296417 346925584 /nfs/dbraw/zinc/92/55/84/346925584.db2.gz IEHJJRRADWIXGJ-INIZCTEOSA-N 1 0 277.408 2.722 50 0 CFAARO O=C1N2CC[NH2+]C[C@@H]2[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000072233679 346924092 /nfs/dbraw/zinc/92/40/92/346924092.db2.gz GGNMCQFOVFNIOU-IAGOWNOFSA-N 1 0 299.418 2.770 50 0 CFAARO CCc1ccc(NC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000013775549 529687849 /nfs/dbraw/zinc/68/78/49/529687849.db2.gz VNGMWJTZTGWXPX-UHFFFAOYSA-N 1 0 277.437 2.630 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C(C)C)nn2)C1 ZINC000823109895 781921902 /nfs/dbraw/zinc/92/19/02/781921902.db2.gz VLRFIUPYNFBDBK-AWEZNQCLSA-N 1 0 276.428 2.768 50 0 CFAARO Cc1nn(-c2ccccc2)cc1CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000225362998 282243891 /nfs/dbraw/zinc/24/38/91/282243891.db2.gz QWODRMFPDPNWKV-KSSFIOAISA-N 1 0 298.434 2.882 50 0 CFAARO C[NH+](C)CCSCc1csc([C@@H]2CCCO2)n1 ZINC000126767081 187261114 /nfs/dbraw/zinc/26/11/14/187261114.db2.gz WOXPUAKEMBDEAU-NSHDSACASA-N 1 0 272.439 2.789 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1C ZINC000105905363 136378877 /nfs/dbraw/zinc/37/88/77/136378877.db2.gz JQDKNUMHYPVQDO-QGZVFWFLSA-N 1 0 296.418 2.852 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000058402078 282268785 /nfs/dbraw/zinc/26/87/85/282268785.db2.gz ZPXDTOQLZMHLKQ-QGZVFWFLSA-N 1 0 298.434 2.962 50 0 CFAARO Cc1cc(N2CCOCC2)c2c(N)cc(C)c(C)c2[nH+]1 ZINC000000183365 136391629 /nfs/dbraw/zinc/39/16/29/136391629.db2.gz SIQHNHPZWHBACW-UHFFFAOYSA-N 1 0 271.364 2.579 50 0 CFAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)c1 ZINC000128053461 187348200 /nfs/dbraw/zinc/34/82/00/187348200.db2.gz DJTALOJVMYTTGH-OBJOEFQTSA-N 1 0 279.380 2.922 50 0 CFAARO FC(F)(F)c1nc2ccccc2c(-n2ccnc2)n1 ZINC000001292870 539381052 /nfs/dbraw/zinc/38/10/52/539381052.db2.gz FVIALJZWYALESI-UHFFFAOYSA-N 1 0 264.210 2.834 50 0 CFAARO CC[NH+]1CCC([C@H](C)OC(=O)CCc2cscn2)CC1 ZINC000075105902 347055928 /nfs/dbraw/zinc/05/59/28/347055928.db2.gz UHHQFNZJUXUXRL-LBPRGKRZSA-N 1 0 296.436 2.739 50 0 CFAARO O=C1OCCN1CCC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000075106023 347056215 /nfs/dbraw/zinc/05/62/15/347056215.db2.gz UMMJGCKTBZSPCO-UHFFFAOYSA-N 1 0 298.452 2.580 50 0 CFAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(C(C)C)n1 ZINC000075551847 347083828 /nfs/dbraw/zinc/08/38/28/347083828.db2.gz LKQFLYRYCMFMHG-UHFFFAOYSA-N 1 0 285.391 2.915 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCc2ccncc2)n1 ZINC000075605680 347086357 /nfs/dbraw/zinc/08/63/57/347086357.db2.gz GHTYKLIINOJHOR-SFHVURJKSA-N 1 0 298.434 2.992 50 0 CFAARO CC[C@@H](C(=O)Nc1nccc2sccc21)[NH+](C)C ZINC000097141928 185546415 /nfs/dbraw/zinc/54/64/15/185546415.db2.gz LZRMMAWBTJBPGR-JTQLQIEISA-N 1 0 263.366 2.575 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CC1(c2ccccc2)CC1 ZINC000097159245 185550673 /nfs/dbraw/zinc/55/06/73/185550673.db2.gz RBQIKVGCHGTYDO-UHFFFAOYSA-N 1 0 255.365 2.848 50 0 CFAARO NNc1cc(-c2ccccc2O)nc(-c2ccccc2)[nH+]1 ZINC000000449016 346204853 /nfs/dbraw/zinc/20/48/53/346204853.db2.gz UBEJSRCHKLGKNG-UHFFFAOYSA-N 1 0 278.315 2.802 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000012383619 346230951 /nfs/dbraw/zinc/23/09/51/346230951.db2.gz HTQHOJCMBXAHET-LRVUVFPRSA-N 1 0 263.381 2.519 50 0 CFAARO CC[NH+](CC)C[C@H](O)CSc1ccc(C)cc1 ZINC000019799463 346241782 /nfs/dbraw/zinc/24/17/82/346241782.db2.gz KELKRRMRKNGFAT-ZDUSSCGKSA-N 1 0 253.411 2.790 50 0 CFAARO COc1ccccc1OCCCCC[NH+]1CCOCC1 ZINC000023115489 346251323 /nfs/dbraw/zinc/25/13/23/346251323.db2.gz PLNXHNUXIXUNRR-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO COc1ccc2nc(N3CCC[N@H+](C)CC3)cc(C)c2c1 ZINC000023634218 346252854 /nfs/dbraw/zinc/25/28/54/346252854.db2.gz XBYBQHGKIFQNPN-UHFFFAOYSA-N 1 0 285.391 2.694 50 0 CFAARO C[NH2+]Cc1ccccc1Sc1ccc(O)cc1O ZINC000033902183 346313470 /nfs/dbraw/zinc/31/34/70/346313470.db2.gz MTNWRIVVDLJLCW-UHFFFAOYSA-N 1 0 261.346 2.968 50 0 CFAARO c1ccc2c(c1)nc([C@@H]1CCCO1)n2C1CC[NH2+]CC1 ZINC000036301084 346322693 /nfs/dbraw/zinc/32/26/93/346322693.db2.gz GQIXYGRTFFYAQV-HNNXBMFYSA-N 1 0 271.364 2.812 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2C)C12CCCC2 ZINC000085680209 179113101 /nfs/dbraw/zinc/11/31/01/179113101.db2.gz SHFPYOSGOXFGHU-UONOGXRCSA-N 1 0 263.385 2.546 50 0 CFAARO Cn1cc(-c2ccccc2)cc1C(=O)NCC[NH+]1CCCC1 ZINC000065170704 346730485 /nfs/dbraw/zinc/73/04/85/346730485.db2.gz XWBUJOIQZLQXLV-UHFFFAOYSA-N 1 0 297.402 2.518 50 0 CFAARO CC(C)[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000067127019 346793306 /nfs/dbraw/zinc/79/33/06/346793306.db2.gz PSQKYFQUWUKGEA-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000079020767 347285330 /nfs/dbraw/zinc/28/53/30/347285330.db2.gz BMZBEFCUGUJMTP-FNFWKMNBSA-N 1 0 286.466 2.621 50 0 CFAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000078898360 347278579 /nfs/dbraw/zinc/27/85/79/347278579.db2.gz XLQAJTVLLVXTMR-BLLLJJGKSA-N 1 0 290.382 2.562 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000078898354 347278869 /nfs/dbraw/zinc/27/88/69/347278869.db2.gz XLQAJTVLLVXTMR-MLGOLLRUSA-N 1 0 290.382 2.562 50 0 CFAARO O[C@H](C[NH2+]Cc1cccc2[nH]ccc21)c1ccco1 ZINC000078975335 347282925 /nfs/dbraw/zinc/28/29/25/347282925.db2.gz FVOQOALNOTVMQQ-CQSZACIVSA-N 1 0 256.305 2.584 50 0 CFAARO Cn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(Cl)o2)cn1 ZINC000089755300 347527827 /nfs/dbraw/zinc/52/78/27/347527827.db2.gz NZCCUSQVWCTTST-HZMBPMFUSA-N 1 0 295.770 2.534 50 0 CFAARO O=C(C[C@@H]1CC[NH2+]C1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000128563217 187377663 /nfs/dbraw/zinc/37/76/63/187377663.db2.gz KXROUJCWPLXRIU-LBPRGKRZSA-N 1 0 292.810 2.835 50 0 CFAARO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000091692691 347595720 /nfs/dbraw/zinc/59/57/20/347595720.db2.gz QOHOSDXPUXGUNY-CYBMUJFWSA-N 1 0 283.318 2.707 50 0 CFAARO Cc1cnc([C@H](C)N2CCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000095458187 347698190 /nfs/dbraw/zinc/69/81/90/347698190.db2.gz XYZQWSGZCAJIMY-KBPBESRZSA-N 1 0 263.385 2.604 50 0 CFAARO Fc1cccnc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095988116 347699977 /nfs/dbraw/zinc/69/99/77/347699977.db2.gz VJWYNZFPNXIYQE-GLQYFDAESA-N 1 0 276.355 2.658 50 0 CFAARO Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1CC[N@H+]3CCO2 ZINC000096027995 347700454 /nfs/dbraw/zinc/70/04/54/347700454.db2.gz QPFORCJJDFGHAV-MLGOLLRUSA-N 1 0 259.349 2.876 50 0 CFAARO CCCC[NH2+]C[C@@H]1COc2c(Cl)cccc2C1=O ZINC000096026774 347700473 /nfs/dbraw/zinc/70/04/73/347700473.db2.gz VMPTYONPMWDYDY-SNVBAGLBSA-N 1 0 267.756 2.921 50 0 CFAARO COc1cc([C@H](C)[NH2+]C2(C)CCC2)ccc1S(C)(=O)=O ZINC000097232343 347707865 /nfs/dbraw/zinc/70/78/65/347707865.db2.gz UHWXDXQJXKTAOY-NSHDSACASA-N 1 0 297.420 2.692 50 0 CFAARO OC[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000097370881 347708745 /nfs/dbraw/zinc/70/87/45/347708745.db2.gz NUDRFJSQIBPVKI-BXKDBHETSA-N 1 0 291.338 2.623 50 0 CFAARO Cc1cnn(C[C@H]2CCC[N@H+]2[C@H](C)c2cccnc2)c1 ZINC000106843622 347733602 /nfs/dbraw/zinc/73/36/02/347733602.db2.gz BUSJYNTVXAYMST-GDBMZVCRSA-N 1 0 270.380 2.812 50 0 CFAARO COC(=O)Nc1ccc(NC2CC[NH+](C)CC2)cc1F ZINC000127071177 347839373 /nfs/dbraw/zinc/83/93/73/347839373.db2.gz MKSPXEPYYFIUHZ-UHFFFAOYSA-N 1 0 281.331 2.510 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1nccs1 ZINC000086508048 179303784 /nfs/dbraw/zinc/30/37/84/179303784.db2.gz JRYIEVGSOPLTKD-GHMZBOCLSA-N 1 0 276.361 2.634 50 0 CFAARO Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)C2 ZINC000136386996 347910237 /nfs/dbraw/zinc/91/02/37/347910237.db2.gz BTHDWDVURAJBNZ-XJKSGUPXSA-N 1 0 299.418 2.823 50 0 CFAARO Cc1cccc(NCCCN2CCCCCC2=O)[nH+]1 ZINC000156928145 347996927 /nfs/dbraw/zinc/99/69/27/347996927.db2.gz GSWLKKMOTQRYGC-UHFFFAOYSA-N 1 0 261.369 2.595 50 0 CFAARO COc1cccc([C@@H](C)[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000170076538 348053421 /nfs/dbraw/zinc/05/34/21/348053421.db2.gz HOTMHMVGHHJXIY-LLVKDONJSA-N 1 0 297.358 2.716 50 0 CFAARO CC(=O)NC1CCC([NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000170085708 348053571 /nfs/dbraw/zinc/05/35/71/348053571.db2.gz QLABCRCWYMSKLJ-UHFFFAOYSA-N 1 0 285.391 2.705 50 0 CFAARO CC(C)CCn1c2ccccc2nc1NCc1cnnn1C ZINC000170596660 348054945 /nfs/dbraw/zinc/05/49/45/348054945.db2.gz SWDSWEZBTCPDRV-UHFFFAOYSA-N 1 0 298.394 2.823 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000170604354 348055774 /nfs/dbraw/zinc/05/57/74/348055774.db2.gz IXDURIQYAZEGOS-CQDIZWNASA-N 1 0 269.454 2.822 50 0 CFAARO CN(C)c1noc(C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000170606886 348056414 /nfs/dbraw/zinc/05/64/14/348056414.db2.gz JMLIMLJOZOKFNT-UHFFFAOYSA-N 1 0 292.408 2.577 50 0 CFAARO CCc1nn(C)cc1C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000170606869 348056859 /nfs/dbraw/zinc/05/68/59/348056859.db2.gz AJJXNVUAHFGBSY-SUMWQHHRSA-N 1 0 284.407 2.961 50 0 CFAARO Cc1cccc(OC2CC[NH+]([C@H]3CCOC[C@H]3C)CC2)n1 ZINC000170619065 348057616 /nfs/dbraw/zinc/05/76/16/348057616.db2.gz BYANPKNDSXQLAG-CJNGLKHVSA-N 1 0 290.407 2.658 50 0 CFAARO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000170669128 348058618 /nfs/dbraw/zinc/05/86/18/348058618.db2.gz VKBMUELRTGUGJH-IAGOWNOFSA-N 1 0 282.472 2.903 50 0 CFAARO C[C@@H](O)CC[NH2+][C@@H](C)C(C)(C)c1ccc(F)cc1 ZINC000185456219 348128989 /nfs/dbraw/zinc/12/89/89/348128989.db2.gz RQHYJMVOVCFXCY-NEPJUHHUSA-N 1 0 253.361 2.852 50 0 CFAARO CCNC(=O)C[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000188997977 348133332 /nfs/dbraw/zinc/13/33/32/348133332.db2.gz WOGIQWBSLKSIFF-UHFFFAOYSA-N 1 0 294.704 2.585 50 0 CFAARO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)ccc1O ZINC000194974987 348145266 /nfs/dbraw/zinc/14/52/66/348145266.db2.gz YVKCVJXREGYMHJ-MNOVXSKESA-N 1 0 267.394 2.727 50 0 CFAARO CC[C@@H]([NH2+]C[C@@](C)(O)c1cnn(C)c1)c1ccccc1F ZINC000195553612 348146121 /nfs/dbraw/zinc/14/61/21/348146121.db2.gz IZVGYOJIBOBNFI-HZPDHXFCSA-N 1 0 291.370 2.508 50 0 CFAARO c1nn(CC[NH+]2CCCCC2)cc1N[C@@H]1CCCSC1 ZINC000195562117 348146907 /nfs/dbraw/zinc/14/69/07/348146907.db2.gz VHNKUOCJIDVPMU-CQSZACIVSA-N 1 0 294.468 2.677 50 0 CFAARO C=Cn1cc(C[NH2+]C(C)(C)c2ccc3c(c2)OCCO3)cn1 ZINC000225582923 348178156 /nfs/dbraw/zinc/17/81/56/348178156.db2.gz KZQXLQPTAYRGCO-UHFFFAOYSA-N 1 0 299.374 2.780 50 0 CFAARO COc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)ccc1O ZINC000225670528 348179489 /nfs/dbraw/zinc/17/94/89/348179489.db2.gz AAXWBSCUKFNARL-UHFFFAOYSA-N 1 0 291.391 2.793 50 0 CFAARO c1nn(Cc2ccccc2)c[n+]1CCCOc1ccccc1 ZINC000230519539 348206658 /nfs/dbraw/zinc/20/66/58/348206658.db2.gz UUABGAHWIFLUDC-UHFFFAOYSA-N 1 0 294.378 2.688 50 0 CFAARO Cc1cccc(C[n+]2cnn(Cc3ccccc3)c2)c1 ZINC000230518939 348206741 /nfs/dbraw/zinc/20/67/41/348206741.db2.gz YQQMMQAPHXJJBR-UHFFFAOYSA-N 1 0 264.352 2.576 50 0 CFAARO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248622921 348275144 /nfs/dbraw/zinc/27/51/44/348275144.db2.gz UEYKUYOQHGHUJN-TYNCELHUSA-N 1 0 294.370 2.618 50 0 CFAARO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000401621579 348578191 /nfs/dbraw/zinc/57/81/91/348578191.db2.gz ROONUDKLYMYPNV-YNEHKIRRSA-N 1 0 250.390 2.682 50 0 CFAARO Cc1c[nH+]c(C)n1C1CCN(C(=O)CC(C)C)CC1 ZINC000409421072 348600796 /nfs/dbraw/zinc/60/07/96/348600796.db2.gz DQBJEDJTVZOZRN-UHFFFAOYSA-N 1 0 263.385 2.710 50 0 CFAARO CC(C)c1cnc(NC[C@H](C(C)C)[NH+](C)C)nc1 ZINC000584884643 348726334 /nfs/dbraw/zinc/72/63/34/348726334.db2.gz MWSDWUDQSSVILD-CYBMUJFWSA-N 1 0 250.390 2.598 50 0 CFAARO C[N@@H+]1CCCC[C@H]1Cn1cnc2cccc(Cl)c2c1=O ZINC000584884927 348726496 /nfs/dbraw/zinc/72/64/96/348726496.db2.gz GKFAOPVPNKTWCH-NSHDSACASA-N 1 0 291.782 2.534 50 0 CFAARO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCCC2)cc(C)n1 ZINC000584889688 348728116 /nfs/dbraw/zinc/72/81/16/348728116.db2.gz ZGZFMFGIFXBWEL-UHFFFAOYSA-N 1 0 289.423 2.645 50 0 CFAARO c1ccc(-c2ncc3c(n2)C[N@H+]([C@@H]2CCSC2)C3)cc1 ZINC000584894004 348730403 /nfs/dbraw/zinc/73/04/03/348730403.db2.gz SXMSPFBAMLXILW-CQSZACIVSA-N 1 0 283.400 2.965 50 0 CFAARO Clc1ccc2[nH]c(C[NH2+][C@@H]3CCSC3)nc2c1 ZINC000584898547 348730883 /nfs/dbraw/zinc/73/08/83/348730883.db2.gz QYHLIFAXLIMMMB-SECBINFHSA-N 1 0 267.785 2.811 50 0 CFAARO CC[C@H](Cn1cnc2c(C)cc(Cl)cc2c1=O)[NH+](C)C ZINC000584900920 348732685 /nfs/dbraw/zinc/73/26/85/348732685.db2.gz CTBFSRXUCNIDCU-GFCCVEGCSA-N 1 0 293.798 2.699 50 0 CFAARO CC[N@H+](C)C1(CNc2ncc(Cl)cn2)CCCC1 ZINC000584903479 348732720 /nfs/dbraw/zinc/73/27/20/348732720.db2.gz KOFBQWGAPRJZRL-UHFFFAOYSA-N 1 0 268.792 2.806 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000585134877 348735264 /nfs/dbraw/zinc/73/52/64/348735264.db2.gz NQIGMLJVFFLZCX-KCXAZCMYSA-N 1 0 277.412 2.568 50 0 CFAARO Cc1n[nH]cc1C[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000585136318 348735562 /nfs/dbraw/zinc/73/55/62/348735562.db2.gz AMLROMZZIHFOQF-CQSZACIVSA-N 1 0 263.385 2.642 50 0 CFAARO c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCCSC2)c1 ZINC000131076924 539674112 /nfs/dbraw/zinc/67/41/12/539674112.db2.gz FDDZUHMNPOMCSL-MRXNPFEDSA-N 1 0 287.432 2.917 50 0 CFAARO Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000090848999 180045479 /nfs/dbraw/zinc/04/54/79/180045479.db2.gz YPGOSIAGXNUHLW-BLLLJJGKSA-N 1 0 275.348 2.543 50 0 CFAARO Cc1ncc([C@H](C)NC[C@@H]2CCC[N@H+]2CC(C)C)c(C)n1 ZINC000090854111 180046828 /nfs/dbraw/zinc/04/68/28/180046828.db2.gz XKOGTNTUUIJEJI-BBRMVZONSA-N 1 0 290.455 2.864 50 0 CFAARO C[C@@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1cnn(C)c1 ZINC000090911902 180063039 /nfs/dbraw/zinc/06/30/39/180063039.db2.gz YLIDTIXLAUKGGV-GFCCVEGCSA-N 1 0 286.379 2.597 50 0 CFAARO COc1ccc(F)cc1CN1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000091426948 180151913 /nfs/dbraw/zinc/15/19/13/180151913.db2.gz BWVSNOLZZVNUDZ-JKSUJKDBSA-N 1 0 294.414 2.852 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@@](CO)(CCOC)C2)cc1 ZINC000091427154 180152188 /nfs/dbraw/zinc/15/21/88/180152188.db2.gz DTRLKYGSNIYNAB-GOSISDBHSA-N 1 0 291.435 2.860 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1c(F)cccc1Cl ZINC000091587368 180200294 /nfs/dbraw/zinc/20/02/94/180200294.db2.gz WANZKZDQFCENDI-AWEZNQCLSA-N 1 0 298.789 2.970 50 0 CFAARO Cc1ccnc(C[NH2+]Cc2cc(=O)c3cccc(F)c3[nH]2)c1 ZINC000091664508 180220852 /nfs/dbraw/zinc/22/08/52/180220852.db2.gz DQQHZBKFQCWILT-UHFFFAOYSA-N 1 0 297.333 2.660 50 0 CFAARO C[C@@H](c1ccccn1)[N@H+](C)C[C@H](O)c1ccccc1F ZINC000091701883 180229992 /nfs/dbraw/zinc/22/99/92/180229992.db2.gz VNRSHCIVJBTVTG-LRDDRELGSA-N 1 0 274.339 2.947 50 0 CFAARO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000091892423 180281083 /nfs/dbraw/zinc/28/10/83/180281083.db2.gz XRLDQCIAEZQNHX-OLZOCXBDSA-N 1 0 250.411 2.807 50 0 CFAARO Cc1ccc2[nH]c(C[NH2+]CCCn3ccnc3)cc(=O)c2c1 ZINC000092001807 180303566 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ZINC000122969866 187063092 /nfs/dbraw/zinc/06/30/92/187063092.db2.gz QKMATCPJXYMCHP-KRWDZBQOSA-N 1 0 258.409 2.962 50 0 CFAARO c1ccc([C@@H]2CC[N@@H+](CCN3CCCCC3)C2)cc1 ZINC000122969643 187063294 /nfs/dbraw/zinc/06/32/94/187063294.db2.gz QKMATCPJXYMCHP-QGZVFWFLSA-N 1 0 258.409 2.962 50 0 CFAARO C[C@@H](CC(N)=O)[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000095969244 295842646 /nfs/dbraw/zinc/84/26/46/295842646.db2.gz GPABZFZZBZITLF-SJCJKPOMSA-N 1 0 286.350 2.769 50 0 CFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)C1CCCC1 ZINC000618256854 352739927 /nfs/dbraw/zinc/73/99/27/352739927.db2.gz NFNOSFCCABXHTQ-CQSZACIVSA-N 1 0 278.421 2.629 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000156322448 188255744 /nfs/dbraw/zinc/25/57/44/188255744.db2.gz RQTMUHSBHRTIBI-BZEACYEMSA-N 1 0 292.810 2.939 50 0 CFAARO Cc1cc([C@H](C)[NH2+]CC2(C)OCCO2)c(C)s1 ZINC000170062798 188668033 /nfs/dbraw/zinc/66/80/33/188668033.db2.gz FKGSDKSEICCNGL-JTQLQIEISA-N 1 0 255.383 2.779 50 0 CFAARO 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c1ccc(OCCN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000002195988 371720575 /nfs/dbraw/zinc/72/05/75/371720575.db2.gz HOMZGDHYHRTUAP-UHFFFAOYSA-N 1 0 279.343 2.762 50 0 CFAARO O[C@@H](C[NH2+]C1CC1)Cn1c2ccccc2c2ccccc21 ZINC000002190480 371720650 /nfs/dbraw/zinc/72/06/50/371720650.db2.gz VRGIOLYGCLOIJI-AWEZNQCLSA-N 1 0 280.371 2.907 50 0 CFAARO OCC[N@H+](CCOCc1ccccc1)Cc1ccccc1 ZINC000002470247 371727246 /nfs/dbraw/zinc/72/72/46/371727246.db2.gz DZOHSMSGNGPWCO-UHFFFAOYSA-N 1 0 285.387 2.698 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000002451113 371727649 /nfs/dbraw/zinc/72/76/49/371727649.db2.gz PIANUSMCKHEMFQ-OAHLLOKOSA-N 1 0 259.349 2.578 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000002451878 371727688 /nfs/dbraw/zinc/72/76/88/371727688.db2.gz PIVHZCFAQJVQOQ-BXUZGUMPSA-N 1 0 271.788 2.606 50 0 CFAARO CCOC(=O)CCC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514596 371731736 /nfs/dbraw/zinc/73/17/36/371731736.db2.gz BIMOSUOXSXFQSN-UHFFFAOYSA-N 1 0 289.375 2.808 50 0 CFAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000002674817 371745987 /nfs/dbraw/zinc/74/59/87/371745987.db2.gz NPDKCEQNSNHTEI-AWEZNQCLSA-N 1 0 283.799 2.874 50 0 CFAARO CC[NH+](CC)CCCNC(=O)c1cccc(Cl)c1 ZINC000002746639 371749883 /nfs/dbraw/zinc/74/98/83/371749883.db2.gz NZPLPVLMWZYQDI-UHFFFAOYSA-N 1 0 268.788 2.802 50 0 CFAARO CC[NH+](CC)CCCNCc1cccc(OC)c1 ZINC000002933140 371764661 /nfs/dbraw/zinc/76/46/61/371764661.db2.gz NFBNQQGKYSIELK-UHFFFAOYSA-N 1 0 250.386 2.517 50 0 CFAARO CCOc1cccc(OCCCC[NH2+]CCCOC)c1 ZINC000003002174 371768122 /nfs/dbraw/zinc/76/81/22/371768122.db2.gz UOFVWJLZQHDVPI-UHFFFAOYSA-N 1 0 281.396 2.870 50 0 CFAARO COCC[NH2+]CCCOc1ccc(Cl)c(Cl)c1 ZINC000003000659 371768876 /nfs/dbraw/zinc/76/88/76/371768876.db2.gz ICDAQWRXZPEZSM-UHFFFAOYSA-N 1 0 278.179 2.998 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)cc1 ZINC000003145447 371775915 /nfs/dbraw/zinc/77/59/15/371775915.db2.gz PCTOTSPQXJTUKT-OWCLPIDISA-N 1 0 261.365 2.651 50 0 CFAARO C[N@H+](C[C@H](O)COCc1cccs1)C1CCCCC1 ZINC000003241753 371783084 /nfs/dbraw/zinc/78/30/84/371783084.db2.gz OEOHZDIFLMOPMO-AWEZNQCLSA-N 1 0 283.437 2.890 50 0 CFAARO Cc1cccc(C)c1NC(=S)N1CCC[N@@H+](C)CC1 ZINC000003314519 371789812 /nfs/dbraw/zinc/78/98/12/371789812.db2.gz DVUXMFATTBHEKQ-UHFFFAOYSA-N 1 0 277.437 2.638 50 0 CFAARO CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000003538684 371805809 /nfs/dbraw/zinc/80/58/09/371805809.db2.gz VWPMCAYFFVARDO-UHFFFAOYSA-N 1 0 280.799 2.688 50 0 CFAARO C[C@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@H]1CO ZINC000003680931 371814030 /nfs/dbraw/zinc/81/40/30/371814030.db2.gz BRNHCAQZRAUXMI-TZMCWYRMSA-N 1 0 251.345 2.604 50 0 CFAARO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000004133196 371835715 /nfs/dbraw/zinc/83/57/15/371835715.db2.gz JPZYFSXOLMVJBX-KGLIPLIRSA-N 1 0 277.364 2.505 50 0 CFAARO COC(=O)c1ccc(OC)c(C[NH2+]C2CCCCC2)c1 ZINC000004298649 371847354 /nfs/dbraw/zinc/84/73/54/371847354.db2.gz RASKANXPDRQCSG-UHFFFAOYSA-N 1 0 277.364 2.904 50 0 CFAARO Cc1cccc(OCC(=O)O[C@H](C)C[NH+]2CCCCC2)c1 ZINC000004552895 371864557 /nfs/dbraw/zinc/86/45/57/371864557.db2.gz YRDMVCKPFQCGNE-OAHLLOKOSA-N 1 0 291.391 2.791 50 0 CFAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCCC1 ZINC000004552925 371864657 /nfs/dbraw/zinc/86/46/57/371864657.db2.gz KEYQBJRVZLRWNJ-UHFFFAOYSA-N 1 0 290.382 2.660 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000006007619 371886162 /nfs/dbraw/zinc/88/61/62/371886162.db2.gz CHVNFIJIWPRKTE-CYBMUJFWSA-N 1 0 252.402 2.700 50 0 CFAARO COc1ccc(C(=O)OCC[N@H+](C)C(C)(C)C)cc1 ZINC000004664771 371871971 /nfs/dbraw/zinc/87/19/71/371871971.db2.gz HSFMNNBUZVNYEL-UHFFFAOYSA-N 1 0 265.353 2.582 50 0 CFAARO CCc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000004990371 371877401 /nfs/dbraw/zinc/87/74/01/371877401.db2.gz ZIWGGCSBKSRYGW-INIZCTEOSA-N 1 0 277.408 2.721 50 0 CFAARO CCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000005485777 371882377 /nfs/dbraw/zinc/88/23/77/371882377.db2.gz YZOFFOOGEUJNQN-UKRRQHHQSA-N 1 0 258.365 2.539 50 0 CFAARO C[NH+](C)CCNc1nc(C(F)(F)F)nc2ccccc21 ZINC000011990422 371938469 /nfs/dbraw/zinc/93/84/69/371938469.db2.gz WWKUNCWNMWYUHY-UHFFFAOYSA-N 1 0 284.285 2.622 50 0 CFAARO O=C(C1CCC1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011933089 371938957 /nfs/dbraw/zinc/93/89/57/371938957.db2.gz PNYXRRZXRMIPBH-QGZVFWFLSA-N 1 0 276.424 2.511 50 0 CFAARO Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000007787558 371894616 /nfs/dbraw/zinc/89/46/16/371894616.db2.gz OLLUPCKNOMJLSM-GFCCVEGCSA-N 1 0 260.381 2.974 50 0 CFAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCC1 ZINC000010383828 371908701 /nfs/dbraw/zinc/90/87/01/371908701.db2.gz MKFUYMDRXRFKFH-LESVLKBLSA-N 1 0 293.451 2.676 50 0 CFAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000010464468 371909999 /nfs/dbraw/zinc/90/99/99/371909999.db2.gz RKWDQWHDXOPMSK-UHFFFAOYSA-N 1 0 273.380 2.743 50 0 CFAARO O=C1C[C@@H]([NH2+]Cc2ccccc2)CN1Cc1ccc(F)cc1 ZINC000011839645 371929603 /nfs/dbraw/zinc/92/96/03/371929603.db2.gz LSWMQNMDUSYDRA-QGZVFWFLSA-N 1 0 298.361 2.716 50 0 CFAARO CC(C)CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012382093 371957220 /nfs/dbraw/zinc/95/72/20/371957220.db2.gz YYSXREFDGORKHZ-UHFFFAOYSA-N 1 0 274.408 2.813 50 0 CFAARO CC(C)[NH+]1CCC(CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000012442758 371965095 /nfs/dbraw/zinc/96/50/95/371965095.db2.gz KKVITBNQWMOIKD-UHFFFAOYSA-N 1 0 292.398 2.605 50 0 CFAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(Cl)cn1 ZINC000012731362 371982599 /nfs/dbraw/zinc/98/25/99/371982599.db2.gz PBNUXWISALNRCS-UHFFFAOYSA-N 1 0 267.760 2.550 50 0 CFAARO C[NH+](C)C[C@H](NC(=O)c1ccsc1)c1ccccc1 ZINC000012730612 371983499 /nfs/dbraw/zinc/98/34/99/371983499.db2.gz FPHPSJSBMFPPHZ-AWEZNQCLSA-N 1 0 274.389 2.781 50 0 CFAARO C[C@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccs1 ZINC000012787186 371987579 /nfs/dbraw/zinc/98/75/79/371987579.db2.gz YRHUUZVOZRYUGB-UPJWGTAASA-N 1 0 280.437 2.903 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000012289066 371950733 /nfs/dbraw/zinc/95/07/33/371950733.db2.gz ABONSXHZHXQBBR-HUUCEWRRSA-N 1 0 263.381 2.609 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000013521819 372030625 /nfs/dbraw/zinc/03/06/25/372030625.db2.gz MXPXKANYMKBUKK-SNVBAGLBSA-N 1 0 287.388 2.964 50 0 CFAARO OCCCCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000013718148 372044738 /nfs/dbraw/zinc/04/47/38/372044738.db2.gz FDIBAAXXCWGGIA-UHFFFAOYSA-N 1 0 261.287 2.958 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccs1)c1ccsc1 ZINC000013011140 372009957 /nfs/dbraw/zinc/00/99/57/372009957.db2.gz VVNYCPRVNMNUFF-ZDUSSCGKSA-N 1 0 294.445 2.771 50 0 CFAARO NC(=O)CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000016384653 372105268 /nfs/dbraw/zinc/10/52/68/372105268.db2.gz ACRJNLXCIUGDOX-AWEZNQCLSA-N 1 0 292.429 2.633 50 0 CFAARO C[NH+]1CCC(NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000016580621 372111477 /nfs/dbraw/zinc/11/14/77/372111477.db2.gz VLEXWKOLBQXHGX-UHFFFAOYSA-N 1 0 290.451 2.803 50 0 CFAARO C[NH+]1CCC(NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000016580046 372111668 /nfs/dbraw/zinc/11/16/68/372111668.db2.gz OXANQAFNYUDBEQ-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO COc1ccc(Cl)cc1C(=O)NCC[NH+]1CCCCC1 ZINC000016580498 372112001 /nfs/dbraw/zinc/11/20/01/372112001.db2.gz SGIZVLXJLGXQLN-UHFFFAOYSA-N 1 0 296.798 2.564 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2cccc(OC(C)C)c2)CC1 ZINC000016605013 372113596 /nfs/dbraw/zinc/11/35/96/372113596.db2.gz OYHNURZJMNFRPY-UHFFFAOYSA-N 1 0 290.407 2.688 50 0 CFAARO CCCOc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000016603420 372113633 /nfs/dbraw/zinc/11/36/33/372113633.db2.gz MYJBWKVCPUGQRA-UHFFFAOYSA-N 1 0 290.407 2.691 50 0 CFAARO Brc1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000014631153 372070538 /nfs/dbraw/zinc/07/05/38/372070538.db2.gz LWSGZNITGPTSRL-SNVBAGLBSA-N 1 0 270.170 2.828 50 0 CFAARO Nc1ccc(OCC[NH+]2CCCCC2)c(Cl)c1 ZINC000014630020 372071341 /nfs/dbraw/zinc/07/13/41/372071341.db2.gz ACEVITKNTKXBHG-UHFFFAOYSA-N 1 0 254.761 2.787 50 0 CFAARO Brc1ccc(OCC2CC[NH2+]CC2)cc1 ZINC000014631458 372072820 /nfs/dbraw/zinc/07/28/20/372072820.db2.gz RGJFMUFGRNTWRU-UHFFFAOYSA-N 1 0 270.170 2.828 50 0 CFAARO CN(C)c1ncc2c(n1)CCC[C@H]2[NH2+]C1CCCCC1 ZINC000014979212 372076605 /nfs/dbraw/zinc/07/66/05/372076605.db2.gz RBWCUVOQDWSNQS-CQSZACIVSA-N 1 0 274.412 2.842 50 0 CFAARO C[C@@H]1C[N@@H+](CCCOc2ccccc2F)C[C@H](C)O1 ZINC000016247739 372102920 /nfs/dbraw/zinc/10/29/20/372102920.db2.gz NHJGDYFTOHMSNE-BETUJISGSA-N 1 0 267.344 2.704 50 0 CFAARO CC(C)(C)OC(=O)N[C@H](C[NH3+])c1ccccc1Cl ZINC000019682498 372180460 /nfs/dbraw/zinc/18/04/60/372180460.db2.gz MRXCXNCLZMHEAL-LLVKDONJSA-N 1 0 270.760 2.865 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc2nsnc21 ZINC000019108637 372149276 /nfs/dbraw/zinc/14/92/76/372149276.db2.gz RVBGBAJRDDQYCN-JTQLQIEISA-N 1 0 290.392 2.504 50 0 CFAARO Fc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000019293864 372154781 /nfs/dbraw/zinc/15/47/81/372154781.db2.gz IAGCGNNJOYIDCB-UHFFFAOYSA-N 1 0 262.372 2.886 50 0 CFAARO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000019408099 372159445 /nfs/dbraw/zinc/15/94/45/372159445.db2.gz WZKUTVIACZTEND-HNNXBMFYSA-N 1 0 261.365 2.723 50 0 CFAARO Cc1cccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000019505000 372170007 /nfs/dbraw/zinc/17/00/07/372170007.db2.gz YHGGNSYKZHCBBQ-OAHLLOKOSA-N 1 0 254.333 2.504 50 0 CFAARO COc1ccccc1OCc1cccc(C(N)=[NH2+])c1 ZINC000019513580 372172424 /nfs/dbraw/zinc/17/24/24/372172424.db2.gz UQQBZIPREHGJPM-UHFFFAOYSA-N 1 0 256.305 2.558 50 0 CFAARO c1ccc(C2CCC([NH2+]CCN3CCOCC3)CC2)cc1 ZINC000019636414 372177570 /nfs/dbraw/zinc/17/75/70/372177570.db2.gz YUKQBEKEGHHHBG-UHFFFAOYSA-N 1 0 288.435 2.635 50 0 CFAARO CC[NH+](CC)CCSC[C@H](O)c1ccccc1 ZINC000019926643 372212044 /nfs/dbraw/zinc/21/20/44/372212044.db2.gz OORLQAFRJPGNSX-AWEZNQCLSA-N 1 0 253.411 2.795 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000019921069 372212302 /nfs/dbraw/zinc/21/23/02/372212302.db2.gz IBPDQTSWYMECSS-CQSZACIVSA-N 1 0 266.429 2.900 50 0 CFAARO Clc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019945999 372213460 /nfs/dbraw/zinc/21/34/60/372213460.db2.gz YOYUFTAJOSRLKE-AWEZNQCLSA-N 1 0 250.773 2.524 50 0 CFAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCCCC1 ZINC000020100554 372230682 /nfs/dbraw/zinc/23/06/82/372230682.db2.gz LCNTURUODCRLRM-UHFFFAOYSA-N 1 0 286.419 2.911 50 0 CFAARO Cc1cc(C(C)(C)C)ccc1OCCN1CC[NH+](C)CC1 ZINC000020118269 372232481 /nfs/dbraw/zinc/23/24/81/372232481.db2.gz WRHWJGJXZMRPRF-UHFFFAOYSA-N 1 0 290.451 2.919 50 0 CFAARO CCC[NH+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000019741992 372184707 /nfs/dbraw/zinc/18/47/07/372184707.db2.gz UIBLXXBDIRJLNH-UHFFFAOYSA-N 1 0 284.407 2.604 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC000019789918 372188513 /nfs/dbraw/zinc/18/85/13/372188513.db2.gz QUJMCKIWJMBVEL-NVXWUHKLSA-N 1 0 273.424 2.778 50 0 CFAARO CN(C)CC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000019823704 372192246 /nfs/dbraw/zinc/19/22/46/372192246.db2.gz DGEZSUSNSUHIAR-UHFFFAOYSA-N 1 0 284.403 2.917 50 0 CFAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2Cl)C[C@@H](C)O1 ZINC000019841545 372198613 /nfs/dbraw/zinc/19/86/13/372198613.db2.gz ZYEQBWIZWOSDMQ-VXGBXAGGSA-N 1 0 296.798 2.778 50 0 CFAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(Cc2ccco2)CC1 ZINC000019842536 372198645 /nfs/dbraw/zinc/19/86/45/372198645.db2.gz OBEKVAIXWZADAK-GOEBONIOSA-N 1 0 262.397 2.976 50 0 CFAARO CN(C)CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000019899067 372204299 /nfs/dbraw/zinc/20/42/99/372204299.db2.gz GQNUPLZPYCRVRN-UHFFFAOYSA-N 1 0 252.361 2.908 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(SC)cc1 ZINC000022935925 372248986 /nfs/dbraw/zinc/24/89/86/372248986.db2.gz JNQOWQSPUFWFHF-CQSZACIVSA-N 1 0 264.438 2.982 50 0 CFAARO CC(=O)c1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)cc1 ZINC000023282439 372258651 /nfs/dbraw/zinc/25/86/51/372258651.db2.gz CRDRKMOUNFAKCZ-INIZCTEOSA-N 1 0 290.432 2.517 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1cc2ccccc2n1C ZINC000023476996 372260856 /nfs/dbraw/zinc/26/08/56/372260856.db2.gz ZZKBQLPSJLJFEL-OAHLLOKOSA-N 1 0 271.408 2.752 50 0 CFAARO CC(C)C[C@@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000027138218 372334728 /nfs/dbraw/zinc/33/47/28/372334728.db2.gz BDNFHYBBGKTRGF-GFCCVEGCSA-N 1 0 273.380 2.790 50 0 CFAARO Cc1csc2nc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc(=O)n12 ZINC000027134196 372335520 /nfs/dbraw/zinc/33/55/20/372335520.db2.gz XWSLKOIKFHWYBK-NSHDSACASA-N 1 0 293.436 2.931 50 0 CFAARO CC(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000027582206 372342656 /nfs/dbraw/zinc/34/26/56/372342656.db2.gz GYPIUEYYLCKHEI-GFCCVEGCSA-N 1 0 266.410 2.657 50 0 CFAARO C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCCCCC1 ZINC000028065795 372357332 /nfs/dbraw/zinc/35/73/32/372357332.db2.gz AXMMWYWKDMQEJZ-NSHDSACASA-N 1 0 281.787 2.938 50 0 CFAARO C[C@@H]1CC[C@H](C)N1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237605745 189883981 /nfs/dbraw/zinc/88/39/81/189883981.db2.gz HMCVLPZEUMXQAR-VNHYZAJKSA-N 1 0 260.381 2.866 50 0 CFAARO COc1ccccc1Oc1ccc(NC(=O)[C@H](C)[NH3+])cc1 ZINC000032133186 372432551 /nfs/dbraw/zinc/43/25/51/372432551.db2.gz HLUQXCJRLMGIAJ-NSHDSACASA-N 1 0 286.331 2.773 50 0 CFAARO C[C@@H]([NH2+]C[C@H](O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000032130761 372432749 /nfs/dbraw/zinc/43/27/49/372432749.db2.gz NLCJBDQRNTWMRV-DOMZBBRYSA-N 1 0 285.343 2.800 50 0 CFAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000032498388 372441821 /nfs/dbraw/zinc/44/18/21/372441821.db2.gz FULPGXYCFNVAGN-OAHLLOKOSA-N 1 0 262.372 2.790 50 0 CFAARO Cc1cccc2c(=O)n(CC[C@@H]3CCCC[N@H+]3C)cnc12 ZINC000032592962 372447737 /nfs/dbraw/zinc/44/77/37/372447737.db2.gz OGPJTAZBRIUVHR-AWEZNQCLSA-N 1 0 285.391 2.579 50 0 CFAARO C[NH+](C)Cc1ccc(-c2ccc3nc[nH]c(=O)c3c2)cc1 ZINC000032603493 372449016 /nfs/dbraw/zinc/44/90/16/372449016.db2.gz BIQLIDCEWKELPX-UHFFFAOYSA-N 1 0 279.343 2.652 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1ccc(C)cc1Cl ZINC000032679781 372454089 /nfs/dbraw/zinc/45/40/89/372454089.db2.gz VRLAIZRMHQJARU-UHFFFAOYSA-N 1 0 254.761 2.929 50 0 CFAARO Cc1cc(NC(=O)c2ccco2)ccc1N1CC[NH+](C)CC1 ZINC000032843486 372468396 /nfs/dbraw/zinc/46/83/96/372468396.db2.gz VHLWOVLGCCAVDD-UHFFFAOYSA-N 1 0 299.374 2.592 50 0 CFAARO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000035010744 372527833 /nfs/dbraw/zinc/52/78/33/372527833.db2.gz ISLCKOUDKRMBED-JTQLQIEISA-N 1 0 282.334 2.626 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccs1)c1cccs1 ZINC000036079493 372555909 /nfs/dbraw/zinc/55/59/09/372555909.db2.gz IUAVRCNAZYCBFH-LBPRGKRZSA-N 1 0 294.445 2.771 50 0 CFAARO CCC[N@@H+](Cc1ccc(C)o1)C[C@H](O)COCC(C)C ZINC000036097889 372559327 /nfs/dbraw/zinc/55/93/27/372559327.db2.gz JIAOSVGPMIZPSY-HNNXBMFYSA-N 1 0 283.412 2.834 50 0 CFAARO CCOCC[NH2+]Cc1cc(Br)ccc1F ZINC000036228579 372567718 /nfs/dbraw/zinc/56/77/18/372567718.db2.gz NHDLRHHQWWCOMU-UHFFFAOYSA-N 1 0 276.149 2.714 50 0 CFAARO [NH3+]Cc1ccc(Br)c(C(F)(F)F)c1 ZINC000036533748 372582038 /nfs/dbraw/zinc/58/20/38/372582038.db2.gz VIPRXFOAJILTEI-UHFFFAOYSA-N 1 0 254.049 2.927 50 0 CFAARO Nc1ccc(F)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000035308438 372547303 /nfs/dbraw/zinc/54/73/03/372547303.db2.gz HUAOIBGTZSVOJH-UHFFFAOYSA-N 1 0 256.324 2.966 50 0 CFAARO Cc1ccc(/C=C/C(=O)N2CCC([NH3+])CC2)cc1Cl ZINC000237816721 189890580 /nfs/dbraw/zinc/89/05/80/189890580.db2.gz FDVBQCXSRCFENA-SNAWJCMRSA-N 1 0 278.783 2.611 50 0 CFAARO O=C(Nc1cccc(-c2nccs2)c1)[C@H]1CCC[NH2+]1 ZINC000037767625 372701649 /nfs/dbraw/zinc/70/16/49/372701649.db2.gz UUEQRQDWMOJKET-GFCCVEGCSA-N 1 0 273.361 2.501 50 0 CFAARO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766355 372702583 /nfs/dbraw/zinc/70/25/83/372702583.db2.gz MJYIPFKTHWAITB-WFASDCNBSA-N 1 0 275.396 2.599 50 0 CFAARO CC[C@H]([NH3+])C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000037808922 372719345 /nfs/dbraw/zinc/71/93/45/372719345.db2.gz FWOZXOCZFHHLIA-ZDUSSCGKSA-N 1 0 268.788 2.814 50 0 CFAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000037816218 372720917 /nfs/dbraw/zinc/72/09/17/372720917.db2.gz MFLMDFZOIMBWAV-KBPBESRZSA-N 1 0 278.783 2.756 50 0 CFAARO COc1ccccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000037862363 372727777 /nfs/dbraw/zinc/72/77/77/372727777.db2.gz MINRONNXSVMPFR-HNNXBMFYSA-N 1 0 275.323 2.658 50 0 CFAARO COc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000037862364 372728294 /nfs/dbraw/zinc/72/82/94/372728294.db2.gz MINRONNXSVMPFR-OAHLLOKOSA-N 1 0 275.323 2.658 50 0 CFAARO CC1CC[NH+](CCN2CCc3ccccc3C2)CC1 ZINC000041343145 372833713 /nfs/dbraw/zinc/83/37/13/372833713.db2.gz XQEKITIXDUYMDP-UHFFFAOYSA-N 1 0 258.409 2.777 50 0 CFAARO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)cc1 ZINC000042237622 372891572 /nfs/dbraw/zinc/89/15/72/372891572.db2.gz KHEPEOUXNCNNFB-JTQLQIEISA-N 1 0 266.772 2.517 50 0 CFAARO CCN1CCC[C@H]([N@@H+]2CCC[C@H](CCCOC)C2)C1 ZINC000042437811 372924626 /nfs/dbraw/zinc/92/46/26/372924626.db2.gz NPFJQSFDXRVZQX-CVEARBPZSA-N 1 0 268.445 2.609 50 0 CFAARO COc1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042774348 372953911 /nfs/dbraw/zinc/95/39/11/372953911.db2.gz IXSIAXRBYZTYPE-UHFFFAOYSA-N 1 0 286.169 2.589 50 0 CFAARO CCOC(=O)c1cccc(OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000042772775 372954864 /nfs/dbraw/zinc/95/48/64/372954864.db2.gz DTLPWQYHSZFEOD-AWEZNQCLSA-N 1 0 277.364 2.774 50 0 CFAARO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000043214569 372983913 /nfs/dbraw/zinc/98/39/13/372983913.db2.gz HTSCGVPJZSCYDO-UONOGXRCSA-N 1 0 276.380 2.514 50 0 CFAARO COC(=O)c1ccoc1C[N@H+](CC(C)C)C1CC1 ZINC000045751662 373032791 /nfs/dbraw/zinc/03/27/91/373032791.db2.gz RAVQDSZUTFRMTM-UHFFFAOYSA-N 1 0 251.326 2.687 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000046995126 373074098 /nfs/dbraw/zinc/07/40/98/373074098.db2.gz OORUSLNETMVRCS-UONOGXRCSA-N 1 0 278.783 2.697 50 0 CFAARO Cc1ccccc1CCNc1cc([C@H]2C[C@H]([NH3+])C2)ncn1 ZINC000244734786 189910474 /nfs/dbraw/zinc/91/04/74/189910474.db2.gz NLVJAGNXPPLYPI-SHTZXODSSA-N 1 0 282.391 2.644 50 0 CFAARO CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000048827975 373224134 /nfs/dbraw/zinc/22/41/34/373224134.db2.gz KPBRQBXZPMKOFZ-AWEZNQCLSA-N 1 0 289.423 2.738 50 0 CFAARO FC(F)(F)c1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000048449403 373184756 /nfs/dbraw/zinc/18/47/56/373184756.db2.gz HZSZWEVRAQRVPX-UHFFFAOYSA-N 1 0 269.270 2.692 50 0 CFAARO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1 ZINC000048909692 373230647 /nfs/dbraw/zinc/23/06/47/373230647.db2.gz BNIBNNYTYFHTHE-LBPRGKRZSA-N 1 0 279.359 2.679 50 0 CFAARO Cc1ccccc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000048926152 373231857 /nfs/dbraw/zinc/23/18/57/373231857.db2.gz PFWVYWRZNIIWRJ-ZFWWWQNUSA-N 1 0 274.408 2.845 50 0 CFAARO c1cc(C[NH+]2CC(c3nc(-c4cccnc4)no3)C2)cs1 ZINC000049483583 373304166 /nfs/dbraw/zinc/30/41/66/373304166.db2.gz GNOGEHVQRCNQLL-UHFFFAOYSA-N 1 0 298.371 2.793 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000049516780 373306705 /nfs/dbraw/zinc/30/67/05/373306705.db2.gz DMZUHXNUIXORJL-AWEZNQCLSA-N 1 0 275.396 2.848 50 0 CFAARO COc1ccc(C[N@H+](CCO)C2CCCCC2)cc1F ZINC000049857385 373323889 /nfs/dbraw/zinc/32/38/89/373323889.db2.gz QIWJCOGQLFEDLU-UHFFFAOYSA-N 1 0 281.371 2.961 50 0 CFAARO CCc1noc([C@@H](C)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000052005172 373428555 /nfs/dbraw/zinc/42/85/55/373428555.db2.gz JSMGQCJARAVZJK-CYBMUJFWSA-N 1 0 292.427 2.643 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)on1 ZINC000052010019 373429150 /nfs/dbraw/zinc/42/91/50/373429150.db2.gz UJPYNEKCQBOWSF-CABCVRRESA-N 1 0 272.348 2.854 50 0 CFAARO COc1ccc(F)cc1[C@@H](C)[NH2+]CC1CCOCC1 ZINC000052178073 373439122 /nfs/dbraw/zinc/43/91/22/373439122.db2.gz GNNSXXVMWQTJNM-LLVKDONJSA-N 1 0 267.344 2.912 50 0 CFAARO COc1ccc([C@H](C)[NH2+]CC2CCOCC2)c(OC)c1 ZINC000052176096 373440329 /nfs/dbraw/zinc/44/03/29/373440329.db2.gz LINFVPYHEIIWKY-LBPRGKRZSA-N 1 0 279.380 2.781 50 0 CFAARO C[NH+](C)[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000052537216 373446106 /nfs/dbraw/zinc/44/61/06/373446106.db2.gz SPNXGUBXLSESPP-GFCCVEGCSA-N 1 0 269.186 2.589 50 0 CFAARO COCC[NH2+]Cc1ccc(Br)cc1Cl ZINC000053292941 373474576 /nfs/dbraw/zinc/47/45/76/373474576.db2.gz OGOQKFZESWMXPJ-UHFFFAOYSA-N 1 0 278.577 2.839 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000054226651 373505720 /nfs/dbraw/zinc/50/57/20/373505720.db2.gz MICYARTYKFLPHK-PBHICJAKSA-N 1 0 295.386 2.647 50 0 CFAARO COC1CC[NH+](Cc2cc(=O)oc3cc(C)ccc23)CC1 ZINC000053897401 373488536 /nfs/dbraw/zinc/48/85/36/373488536.db2.gz XWUUDWZXZPKXIT-UHFFFAOYSA-N 1 0 287.359 2.712 50 0 CFAARO COc1ccc([C@H]2[NH2+]CCS2)cc1Br ZINC000053993694 373489813 /nfs/dbraw/zinc/48/98/13/373489813.db2.gz BMDCPEXAUFLROZ-JTQLQIEISA-N 1 0 274.183 2.793 50 0 CFAARO COc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000057353428 373589711 /nfs/dbraw/zinc/58/97/11/373589711.db2.gz JVQCSNLXGJFZMJ-UHFFFAOYSA-N 1 0 281.359 2.904 50 0 CFAARO COc1ccc(C[NH2+]CCOc2ccccn2)cc1Cl ZINC000057353359 373590021 /nfs/dbraw/zinc/59/00/21/373590021.db2.gz AXJCXEUSLVHOSA-UHFFFAOYSA-N 1 0 292.766 2.912 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070176302 288601661 /nfs/dbraw/zinc/60/16/61/288601661.db2.gz ZSYSSWHBCQUKMZ-JQWIXIFHSA-N 1 0 266.410 2.510 50 0 CFAARO CC[NH+]1CCN(c2ccc(NC(=O)C(C)C)cc2C)CC1 ZINC000057529779 373596158 /nfs/dbraw/zinc/59/61/58/373596158.db2.gz SVUVRNRRKCBUMD-UHFFFAOYSA-N 1 0 289.423 2.731 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000058203332 373631692 /nfs/dbraw/zinc/63/16/92/373631692.db2.gz QOROFIVXARLZRG-NSHDSACASA-N 1 0 297.349 2.817 50 0 CFAARO C[NH+]1CCC(CNC(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000058193422 373631697 /nfs/dbraw/zinc/63/16/97/373631697.db2.gz KBBDJWJHBBAJSP-UHFFFAOYSA-N 1 0 299.418 2.559 50 0 CFAARO Cc1ccc([C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000058309893 373644915 /nfs/dbraw/zinc/64/49/15/373644915.db2.gz PYXHYHCLQAZLER-KBXCAEBGSA-N 1 0 296.418 2.974 50 0 CFAARO Cc1cccc(N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000057547544 373597814 /nfs/dbraw/zinc/59/78/14/373597814.db2.gz DBGUKPWKUOPSIB-LJQANCHMSA-N 1 0 296.414 2.851 50 0 CFAARO Cc1cccc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000057547542 373597936 /nfs/dbraw/zinc/59/79/36/373597936.db2.gz DBGUKPWKUOPSIB-IBGZPJMESA-N 1 0 296.414 2.851 50 0 CFAARO Cc1ccc(CNC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000057561342 373599809 /nfs/dbraw/zinc/59/98/09/373599809.db2.gz YUXNBQRGTFSUAO-UHFFFAOYSA-N 1 0 289.423 2.667 50 0 CFAARO Cc1cccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000060062127 373687696 /nfs/dbraw/zinc/68/76/96/373687696.db2.gz TVZKCDHGXVVNRN-DLBZAZTESA-N 1 0 253.345 2.743 50 0 CFAARO [NH3+]C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000061714963 373723011 /nfs/dbraw/zinc/72/30/11/373723011.db2.gz AZKBUVHNMXVVIQ-UHFFFAOYSA-N 1 0 274.286 2.508 50 0 CFAARO Cc1c(C[N@H+]2CCC[C@@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000064543139 373826800 /nfs/dbraw/zinc/82/68/00/373826800.db2.gz UBUIAJUFVIVINH-GFCCVEGCSA-N 1 0 288.370 2.947 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C(F)(F)F ZINC000063115312 373786175 /nfs/dbraw/zinc/78/61/75/373786175.db2.gz FUGRJAUPPOPIAS-SNVBAGLBSA-N 1 0 298.308 2.672 50 0 CFAARO Cc1nn(C)c(Cl)c1CN(C)CC[C@H](C)[NH+]1CCCC1 ZINC000065373973 373859622 /nfs/dbraw/zinc/85/96/22/373859622.db2.gz SXAKGRQTORLTAW-LBPRGKRZSA-N 1 0 298.862 2.688 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@H](C)COc1ccccc1 ZINC000065396602 373865810 /nfs/dbraw/zinc/86/58/10/373865810.db2.gz WRNMNIFYNHVZEZ-LLVKDONJSA-N 1 0 260.337 2.849 50 0 CFAARO CCC[C@H]1COCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000065404620 373866034 /nfs/dbraw/zinc/86/60/34/373866034.db2.gz BPAHRVLKKRDJSG-INIZCTEOSA-N 1 0 276.380 2.646 50 0 CFAARO CCC[NH+]1CCC(Cc2nc(CC(C)C)n[nH]2)CC1 ZINC000065406959 373868652 /nfs/dbraw/zinc/86/86/52/373868652.db2.gz YFXJAWKJJGDPOI-UHFFFAOYSA-N 1 0 264.417 2.668 50 0 CFAARO Cc1nc[nH]c1C[N@@H+]1CCCN(c2ccccc2C)CC1 ZINC000065461329 373875921 /nfs/dbraw/zinc/87/59/21/373875921.db2.gz RDNMXYHAABHDDT-UHFFFAOYSA-N 1 0 284.407 2.739 50 0 CFAARO Cn1ccnc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000067818557 374006755 /nfs/dbraw/zinc/00/67/55/374006755.db2.gz HSRLUKQEGMZDAK-HNNXBMFYSA-N 1 0 285.391 2.867 50 0 CFAARO Cc1cc2c(c(-c3ccc(C)nc3C)c1)O[C@@H](C[NH3+])C2 ZINC000067842202 374007150 /nfs/dbraw/zinc/00/71/50/374007150.db2.gz PMHKIGMZWZJHPV-CQSZACIVSA-N 1 0 268.360 2.936 50 0 CFAARO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)CC3CC3)C2)cc1 ZINC000067869284 374013736 /nfs/dbraw/zinc/01/37/36/374013736.db2.gz FSMFOWGININOGH-QGZVFWFLSA-N 1 0 286.419 2.733 50 0 CFAARO COc1cc(OC)cc(-c2cccc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067934621 374015656 /nfs/dbraw/zinc/01/56/56/374015656.db2.gz PTJRDYJWPKUPAF-OAHLLOKOSA-N 1 0 285.343 2.633 50 0 CFAARO CC(C)=CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067562973 373982713 /nfs/dbraw/zinc/98/27/13/373982713.db2.gz HOONCNTYGHBPHH-HNNXBMFYSA-N 1 0 290.407 2.964 50 0 CFAARO CCCC(=O)N1CCC([N@@H+]2CCCC[C@H]2CCOC)CC1 ZINC000067587578 373986033 /nfs/dbraw/zinc/98/60/33/373986033.db2.gz UYJDXNVHRUVTPV-HNNXBMFYSA-N 1 0 296.455 2.669 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccoc1C ZINC000069653994 374083317 /nfs/dbraw/zinc/08/33/17/374083317.db2.gz QXWQBHLVBLLNHI-GJZGRUSLSA-N 1 0 276.380 2.677 50 0 CFAARO c1cncc(CN2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000069607823 374079335 /nfs/dbraw/zinc/07/93/35/374079335.db2.gz XDOPKVPDCBXFAB-INIZCTEOSA-N 1 0 259.397 2.532 50 0 CFAARO C[C@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)[C@H](C)n1cccn1 ZINC000069418030 374061894 /nfs/dbraw/zinc/06/18/94/374061894.db2.gz BNBWHRAEGRLRKO-RYUDHWBXSA-N 1 0 275.400 2.643 50 0 CFAARO Clc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)s1 ZINC000069657725 374082727 /nfs/dbraw/zinc/08/27/27/374082727.db2.gz WXQQHEDUFHBOHU-NSHDSACASA-N 1 0 296.827 2.905 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cnc(C)s2)c1 ZINC000069490459 374067590 /nfs/dbraw/zinc/06/75/90/374067590.db2.gz SWPJXDDMERFLIX-WDEREUQCSA-N 1 0 264.398 2.696 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)n2cc(C)cn2)c1C ZINC000069511616 374069682 /nfs/dbraw/zinc/06/96/82/374069682.db2.gz JRGJRRPPLOPTEZ-GXTWGEPZSA-N 1 0 289.427 2.764 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC2CCCCC2)C1 ZINC000069569002 374074650 /nfs/dbraw/zinc/07/46/50/374074650.db2.gz XBYPFVSHKRWVLM-CQSZACIVSA-N 1 0 281.444 2.739 50 0 CFAARO Cc1oc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000069659058 374083120 /nfs/dbraw/zinc/08/31/20/374083120.db2.gz VUPLHOKAFFESSJ-LSDHHAIUSA-N 1 0 290.407 2.904 50 0 CFAARO 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294.345 2.664 50 0 CFAARO CC(C)=CCN1CC[N@H+](C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000069807970 374097417 /nfs/dbraw/zinc/09/74/17/374097417.db2.gz CXGMBLZHGUTSOL-AEFFLSMTSA-N 1 0 288.435 2.692 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@H](C)Cn1cccn1 ZINC000069895018 374107155 /nfs/dbraw/zinc/10/71/55/374107155.db2.gz JHWPZHBZCMOKRN-LLVKDONJSA-N 1 0 286.335 2.618 50 0 CFAARO C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000071376039 374217280 /nfs/dbraw/zinc/21/72/80/374217280.db2.gz DRDTZVQFUXXXKQ-GOEBONIOSA-N 1 0 272.392 2.522 50 0 CFAARO CN(C)C(=O)c1ccc(-c2cccc3c2CC[NH2+]C3)s1 ZINC000071767798 374220984 /nfs/dbraw/zinc/22/09/84/374220984.db2.gz IMFVZEFBKNAERI-UHFFFAOYSA-N 1 0 286.400 2.763 50 0 CFAARO c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2c[nH]cn2)n1 ZINC000071775939 374223372 /nfs/dbraw/zinc/22/33/72/374223372.db2.gz GOLHPWNBNUGNQL-HNNXBMFYSA-N 1 0 293.374 2.720 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H]2CCCC[C@@H]2C)C1 ZINC000248498304 189948281 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Cc1ccc(C[NH2+]C[C@H]2CCCn3ccnc32)s1 ZINC000084205549 374767855 /nfs/dbraw/zinc/76/78/55/374767855.db2.gz WMBSDTQCSJZMNG-GFCCVEGCSA-N 1 0 261.394 2.920 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000084257811 374772360 /nfs/dbraw/zinc/77/23/60/374772360.db2.gz HCPJWIJRMRNHMK-AWEZNQCLSA-N 1 0 299.374 2.587 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1 ZINC000252540409 189981240 /nfs/dbraw/zinc/98/12/40/189981240.db2.gz PJHYIRNUXVYHOX-STQMWFEESA-N 1 0 288.370 2.726 50 0 CFAARO C[C@H](CC1CCOCC1)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000089615150 374929432 /nfs/dbraw/zinc/92/94/32/374929432.db2.gz LQQICLSMIWSVQU-KGLIPLIRSA-N 1 0 290.407 2.808 50 0 CFAARO Cc1cccn2cc(C[N@@H+]3CCC[C@@H](c4cc[nH]n4)C3)nc12 ZINC000089700418 374939189 /nfs/dbraw/zinc/93/91/89/374939189.db2.gz WDPKIVQMEXPVGU-CQSZACIVSA-N 1 0 295.390 2.745 50 0 CFAARO C[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000089905443 374966664 /nfs/dbraw/zinc/96/66/64/374966664.db2.gz 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375015256 /nfs/dbraw/zinc/01/52/56/375015256.db2.gz SVHSJPOYIJAHET-ZYHUDNBSSA-N 1 0 259.353 2.773 50 0 CFAARO C[C@@H](NCC[N@H+](C)C1CCCCC1)c1cccnc1 ZINC000092741250 375146620 /nfs/dbraw/zinc/14/66/20/375146620.db2.gz AYDBGLILBYPDJA-CQSZACIVSA-N 1 0 261.413 2.997 50 0 CFAARO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000093482859 375252402 /nfs/dbraw/zinc/25/24/02/375252402.db2.gz FGJCFPQVYWOMOZ-UKRRQHHQSA-N 1 0 293.407 2.748 50 0 CFAARO CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000093310772 375204700 /nfs/dbraw/zinc/20/47/00/375204700.db2.gz DHEFNHHAJBRKQK-STQMWFEESA-N 1 0 254.418 2.787 50 0 CFAARO CCSC[C@H](C)[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000093739422 375304545 /nfs/dbraw/zinc/30/45/45/375304545.db2.gz KJOHDYWHIZPTEB-ZDUSSCGKSA-N 1 0 292.452 2.920 50 0 CFAARO CCOCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000095462195 375456463 /nfs/dbraw/zinc/45/64/63/375456463.db2.gz FVKXQNPVCGVIPF-XJKSGUPXSA-N 1 0 279.380 2.717 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@@H](OCCC(C)C)C2)nc1 ZINC000095462707 375457217 /nfs/dbraw/zinc/45/72/17/375457217.db2.gz OVKXZEFOKXEYDZ-MRXNPFEDSA-N 1 0 278.396 2.727 50 0 CFAARO CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2C)CCO1 ZINC000095465779 375458602 /nfs/dbraw/zinc/45/86/02/375458602.db2.gz LEFDNDKZSCZHMX-GJZGRUSLSA-N 1 0 265.401 2.792 50 0 CFAARO C[NH+](C)CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000095479907 375459551 /nfs/dbraw/zinc/45/95/51/375459551.db2.gz LPRNXAPMVNJTHC-UHFFFAOYSA-N 1 0 299.418 2.728 50 0 CFAARO C[C@H](C[NH2+]Cc1ccc(F)cc1)Oc1ccccn1 ZINC000095472034 375460031 /nfs/dbraw/zinc/46/00/31/375460031.db2.gz JOHQVHLJMWUVMK-GFCCVEGCSA-N 1 0 260.312 2.778 50 0 CFAARO O[C@@H](C[NH2+]Cc1cc(Cl)ccc1F)c1cccnc1 ZINC000095973550 375464317 /nfs/dbraw/zinc/46/43/17/375464317.db2.gz ZJBAOZBPIUDBQG-AWEZNQCLSA-N 1 0 280.730 2.697 50 0 CFAARO Cc1ncsc1CC[N@H+](C)CCc1nccs1 ZINC000095973446 375464631 /nfs/dbraw/zinc/46/46/31/375464631.db2.gz WBPYBAZUEHVLNZ-UHFFFAOYSA-N 1 0 267.423 2.625 50 0 CFAARO C[NH+](C)CCCC1CCN(c2ncc(Cl)cn2)CC1 ZINC000095980584 375464963 /nfs/dbraw/zinc/46/49/63/375464963.db2.gz BVJCCZPWUSWBKQ-UHFFFAOYSA-N 1 0 282.819 2.688 50 0 CFAARO Cc1cnn(-c2cc[nH+]cc2NCc2ccc(C)cn2)c1 ZINC000095988535 375466316 /nfs/dbraw/zinc/46/63/16/375466316.db2.gz PRSOOWJNPKTFBT-UHFFFAOYSA-N 1 0 279.347 2.891 50 0 CFAARO CCc1cc(NCCC[N@H+](C)C2CCCC2)ncn1 ZINC000095355913 375417274 /nfs/dbraw/zinc/41/72/74/375417274.db2.gz WUKLHIBEOCCLKO-UHFFFAOYSA-N 1 0 262.401 2.715 50 0 CFAARO CC(C)[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1[NH+](C)C ZINC000095356374 375419288 /nfs/dbraw/zinc/41/92/88/375419288.db2.gz PPHIBYSSSLSGJO-DOTOQJQBSA-N 1 0 299.418 2.826 50 0 CFAARO Cc1cnc(NC[C@H]2CCC[N@H+](Cc3ccco3)C2)nc1 ZINC000095358845 375419724 /nfs/dbraw/zinc/41/97/24/375419724.db2.gz GBHMOJKBNDCFRY-CQSZACIVSA-N 1 0 286.379 2.702 50 0 CFAARO CC(C)Oc1cccc(F)c1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000095358300 375420338 /nfs/dbraw/zinc/42/03/38/375420338.db2.gz QDUJPHZEIWYKJH-UHFFFAOYSA-N 1 0 275.327 2.649 50 0 CFAARO Cc1cc(CN(C)c2cc(C(C)C)[nH+]c(N)n2)ccn1 ZINC000095363737 375421403 /nfs/dbraw/zinc/42/14/03/375421403.db2.gz BQCYKWLQIRHJHZ-UHFFFAOYSA-N 1 0 271.368 2.522 50 0 CFAARO CCCc1nnc(NC2CC[NH+](C3CCCC3)CC2)o1 ZINC000095366327 375421496 /nfs/dbraw/zinc/42/14/96/375421496.db2.gz IMFLYBZYZWUONF-UHFFFAOYSA-N 1 0 278.400 2.841 50 0 CFAARO Cc1cc(C)nc(CN(C)c2cc(C(C)C)[nH+]c(N)n2)c1 ZINC000095367178 375421975 /nfs/dbraw/zinc/42/19/75/375421975.db2.gz VHLKCDAPFJMZHY-UHFFFAOYSA-N 1 0 285.395 2.830 50 0 CFAARO CCC[C@H]1CN(c2nc3ccccc3s2)C[C@@H]1[NH3+] ZINC000095378437 375424939 /nfs/dbraw/zinc/42/49/39/375424939.db2.gz FZBNOUSLHUAGMX-QWRGUYRKSA-N 1 0 261.394 2.860 50 0 CFAARO Cc1cc(C)c2c(ncnc2NCC[NH+]2CCCCC2)n1 ZINC000095380952 375426272 /nfs/dbraw/zinc/42/62/72/375426272.db2.gz MWVSVXMGBJDXPZ-UHFFFAOYSA-N 1 0 285.395 2.539 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC1=CCCCC1 ZINC000095382029 375427468 /nfs/dbraw/zinc/42/74/68/375427468.db2.gz JLQHGHSUITZSDV-HNNXBMFYSA-N 1 0 264.413 2.868 50 0 CFAARO Cc1cccc(CCNC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000095387111 375428443 /nfs/dbraw/zinc/42/84/43/375428443.db2.gz BDGWBZYZVALCCH-KRWDZBQOSA-N 1 0 288.435 2.918 50 0 CFAARO CC[N@H+](C)C(C)(C)CNc1cc(C(C)C)ncn1 ZINC000095392170 375428548 /nfs/dbraw/zinc/42/85/48/375428548.db2.gz OUENHZCQYDATNL-UHFFFAOYSA-N 1 0 250.390 2.742 50 0 CFAARO Cc1ccc([C@@H](CNc2nnc(C3CCC3)o2)[NH+](C)C)o1 ZINC000095390090 375428704 /nfs/dbraw/zinc/42/87/04/375428704.db2.gz DHIDCESAFFPUGE-GFCCVEGCSA-N 1 0 290.367 2.953 50 0 CFAARO C[N@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CCCOC1 ZINC000095404857 375433150 /nfs/dbraw/zinc/43/31/50/375433150.db2.gz QOVWZOCXJDHEOM-OAHLLOKOSA-N 1 0 275.392 2.522 50 0 CFAARO O[C@H](C[NH2+]Cc1ccc(N2CCCC2)nc1)c1ccccc1 ZINC000095412211 375436387 /nfs/dbraw/zinc/43/63/87/375436387.db2.gz VFKRKHSGYWBHME-QGZVFWFLSA-N 1 0 297.402 2.505 50 0 CFAARO COC(=O)N1CCC([NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000095420823 375440332 /nfs/dbraw/zinc/44/03/32/375440332.db2.gz CINJGYLMJYITIQ-GFCCVEGCSA-N 1 0 294.370 2.577 50 0 CFAARO Cc1nc(CC[NH2+]C2Cc3ccccc3C2)cs1 ZINC000095419970 375440613 /nfs/dbraw/zinc/44/06/13/375440613.db2.gz DUNUTEKMZJCEBN-UHFFFAOYSA-N 1 0 258.390 2.751 50 0 CFAARO c1ncn(CC[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000095426356 375443769 /nfs/dbraw/zinc/44/37/69/375443769.db2.gz BKTFDQBXFAUFBV-DLBZAZTESA-N 1 0 282.391 2.679 50 0 CFAARO Cc1nn(C)c(C)c1C[NH2+][C@H](C)C[C@@H](O)c1cccs1 ZINC000095448922 375453946 /nfs/dbraw/zinc/45/39/46/375453946.db2.gz FITZRJRLSHTALU-QMTHXVAHSA-N 1 0 293.436 2.700 50 0 CFAARO C[S@@](=O)C[C@@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000097143292 375530163 /nfs/dbraw/zinc/53/01/63/375530163.db2.gz JFYSNDCWVWBSKL-KDOFPFPSSA-N 1 0 279.430 2.958 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000097159342 375532923 /nfs/dbraw/zinc/53/29/23/375532923.db2.gz CCOLKWRTFUVXCA-OAHLLOKOSA-N 1 0 292.814 2.764 50 0 CFAARO Cc1cccc(NC[C@@H]2CC[N@@H+](CCOC(C)C)C2)n1 ZINC000097200891 375539134 /nfs/dbraw/zinc/53/91/34/375539134.db2.gz AHGPMLSFFXCMBG-HNNXBMFYSA-N 1 0 277.412 2.549 50 0 CFAARO C[C@@H](C[C@H](O)c1cccs1)[NH2+]Cc1cccn1C ZINC000097230191 375541671 /nfs/dbraw/zinc/54/16/71/375541671.db2.gz COLHJIRLWAMTOI-AAEUAGOBSA-N 1 0 264.394 2.688 50 0 CFAARO Cc1cccc([C@@H](C)[NH2+]CCc2cnn(C)c2)c1C ZINC000097228286 375541972 /nfs/dbraw/zinc/54/19/72/375541972.db2.gz RFFYTFARFIHOPM-CQSZACIVSA-N 1 0 257.381 2.930 50 0 CFAARO C1CC1c1nsc(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000097227415 375542353 /nfs/dbraw/zinc/54/23/53/375542353.db2.gz GNMPUPCJCRRRII-UHFFFAOYSA-N 1 0 292.452 2.870 50 0 CFAARO COC[C@H](C)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000097038053 375498521 /nfs/dbraw/zinc/49/85/21/375498521.db2.gz ZZBWTEBKYGQAMK-KKUMJFAQSA-N 1 0 292.423 2.743 50 0 CFAARO CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2csnn2)CCO1 ZINC000097048901 375502927 /nfs/dbraw/zinc/50/29/27/375502927.db2.gz MNQTVNFIXCUHCV-YPMHNXCESA-N 1 0 269.414 2.612 50 0 CFAARO COc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000097082155 375508490 /nfs/dbraw/zinc/50/84/90/375508490.db2.gz BRXCVCOKJKRNTK-UHFFFAOYSA-N 1 0 298.390 2.562 50 0 CFAARO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)s1 ZINC000097085144 375512276 /nfs/dbraw/zinc/51/22/76/375512276.db2.gz ZCCSUARAKYBKNJ-ZWNOBZJWSA-N 1 0 280.368 2.975 50 0 CFAARO NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000097084832 375512438 /nfs/dbraw/zinc/51/24/38/375512438.db2.gz QAIHLFLTTUAXGV-UPNFEZNFSA-N 1 0 290.382 2.705 50 0 CFAARO Cc1cccc(NCCCS(=O)(=O)c2ccccc2)[nH+]1 ZINC000097096562 375516879 /nfs/dbraw/zinc/51/68/79/375516879.db2.gz MQTZZKUWIOVDJG-UHFFFAOYSA-N 1 0 290.388 2.666 50 0 CFAARO CC[N@@H+]1CC[C@@H](Nc2ccccc2COC)[C@H](C)C1 ZINC000097095651 375517029 /nfs/dbraw/zinc/51/70/29/375517029.db2.gz ISVQEAFERUVLQD-UKRRQHHQSA-N 1 0 262.397 2.975 50 0 CFAARO COCC[NH+]1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000097103891 375519513 /nfs/dbraw/zinc/51/95/13/375519513.db2.gz NJVDLBNVNDXJAX-CQSZACIVSA-N 1 0 296.842 2.708 50 0 CFAARO Cn1cc(C[N@@H+]2CCC[C@](C)(O)C2)c(C2CCCCC2)n1 ZINC000097108464 375521160 /nfs/dbraw/zinc/52/11/60/375521160.db2.gz LMRRIOYZDYXTBU-KRWDZBQOSA-N 1 0 291.439 2.815 50 0 CFAARO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)o1 ZINC000097108590 375521624 /nfs/dbraw/zinc/52/16/24/375521624.db2.gz QEPJNJILKNTPEN-CQSZACIVSA-N 1 0 279.380 2.606 50 0 CFAARO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000097113413 375524522 /nfs/dbraw/zinc/52/45/22/375524522.db2.gz JUFNGTKQIAXQNF-BBRMVZONSA-N 1 0 287.432 2.753 50 0 CFAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000097137220 375526961 /nfs/dbraw/zinc/52/69/61/375526961.db2.gz UAASVHRPSDPTAR-LLVKDONJSA-N 1 0 277.318 2.818 50 0 CFAARO COc1cc(CN2CC([NH+]3CCCCC3)C2)ccc1F ZINC000097137071 375527526 /nfs/dbraw/zinc/52/75/26/375527526.db2.gz UDKZZLUJMCQIMY-UHFFFAOYSA-N 1 0 278.371 2.504 50 0 CFAARO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000097142207 375528792 /nfs/dbraw/zinc/52/87/92/375528792.db2.gz PTLWJGYBBPKNQV-QAPCUYQASA-N 1 0 281.403 2.692 50 0 CFAARO CCn1nccc1C[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000097142216 375528964 /nfs/dbraw/zinc/52/89/64/375528964.db2.gz VMKJWHQFIRIHFY-DOTOQJQBSA-N 1 0 285.391 2.913 50 0 CFAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000097815184 375586444 /nfs/dbraw/zinc/58/64/44/375586444.db2.gz MNIIILWHHOCNEH-CYBMUJFWSA-N 1 0 259.328 2.847 50 0 CFAARO CO[C@@H]1CC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC000097324000 375549850 /nfs/dbraw/zinc/54/98/50/375549850.db2.gz XTVXCEHXUPTCPW-MRXNPFEDSA-N 1 0 257.333 2.766 50 0 CFAARO CC(C)=CC[NH+]1CCC(Nc2cc(C)nn2C)CC1 ZINC000097371339 375551780 /nfs/dbraw/zinc/55/17/80/375551780.db2.gz JPNOQXZGDUGGMA-UHFFFAOYSA-N 1 0 262.401 2.571 50 0 CFAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c(F)c1 ZINC000097374160 375553857 /nfs/dbraw/zinc/55/38/57/375553857.db2.gz SQLKLBYKDLMPQA-XUJVJEKNSA-N 1 0 294.370 2.618 50 0 CFAARO Cc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000097378740 375557003 /nfs/dbraw/zinc/55/70/03/375557003.db2.gz HASUKRZANRIZBP-HNNXBMFYSA-N 1 0 298.390 2.814 50 0 CFAARO COc1cc(C[N@@H+]2CCCCC[C@@H]2CO)ccc1F ZINC000097394131 375557769 /nfs/dbraw/zinc/55/77/69/375557769.db2.gz HXLSPVOYYMCMAG-CYBMUJFWSA-N 1 0 267.344 2.571 50 0 CFAARO C=Cc1ccc(NC(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC000097413265 375558281 /nfs/dbraw/zinc/55/82/81/375558281.db2.gz GLQZDOVBVYBQPK-OAHLLOKOSA-N 1 0 273.380 2.983 50 0 CFAARO [NH3+]Cc1ccc(NC(=O)NCCCC[C@@H]2CCCO2)cc1 ZINC000097463724 375562996 /nfs/dbraw/zinc/56/29/96/375562996.db2.gz OJBMIELDHXDUBS-OAHLLOKOSA-N 1 0 291.395 2.616 50 0 CFAARO OC[C@]1(O)CCC[N@H+](Cc2csc3ccccc23)CC1 ZINC000097604189 375572847 /nfs/dbraw/zinc/57/28/47/375572847.db2.gz WPIJZGDEOMNHIC-INIZCTEOSA-N 1 0 291.416 2.611 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc3nonc32)on1 ZINC000097610250 375573336 /nfs/dbraw/zinc/57/33/36/375573336.db2.gz AICMHRINUCOUTO-CYBMUJFWSA-N 1 0 284.319 2.856 50 0 CFAARO O=C(C[C@H]1CC[NH2+]C1)NCc1cccc(-c2ccccc2)c1 ZINC000097757834 375583543 /nfs/dbraw/zinc/58/35/43/375583543.db2.gz LHWWGMZNVBLZPJ-MRXNPFEDSA-N 1 0 294.398 2.969 50 0 CFAARO Fc1cccc(Cl)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000097797369 375583591 /nfs/dbraw/zinc/58/35/91/375583591.db2.gz RXQGTLQHAZMZKR-QWRGUYRKSA-N 1 0 268.763 2.663 50 0 CFAARO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1cccc2ccccc21 ZINC000111366729 375840556 /nfs/dbraw/zinc/84/05/56/375840556.db2.gz KAGBLFIXBMZNIZ-INIZCTEOSA-N 1 0 284.403 2.872 50 0 CFAARO Cn1cncc1C[NH2+][C@H]1CCSc2ccccc21 ZINC000112341039 375906374 /nfs/dbraw/zinc/90/63/74/375906374.db2.gz UJCPXFYGJKODKV-ZDUSSCGKSA-N 1 0 259.378 2.747 50 0 CFAARO FC(F)(F)c1cnc(CO[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000261494982 190039681 /nfs/dbraw/zinc/03/96/81/190039681.db2.gz ZMYSHTWKSGKMFN-QMMMGPOBSA-N 1 0 280.677 2.632 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(Cl)c1Cl ZINC000122300299 376924824 /nfs/dbraw/zinc/92/48/24/376924824.db2.gz WAIKMASDWYPWHL-MRVPVSSYSA-N 1 0 273.163 2.557 50 0 CFAARO CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129486882 377434001 /nfs/dbraw/zinc/43/40/01/377434001.db2.gz OTLSLQGKRZCMHJ-QJPTWQEYSA-N 1 0 264.335 2.791 50 0 CFAARO C[NH+]1CCN(CCCSc2cc(F)ccc2F)CC1 ZINC000130208496 377521241 /nfs/dbraw/zinc/52/12/41/377521241.db2.gz CQSKTPGMTAUVHN-UHFFFAOYSA-N 1 0 286.391 2.694 50 0 CFAARO COC1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC000130253042 377527251 /nfs/dbraw/zinc/52/72/51/377527251.db2.gz ZGGKJLOCBCQAKX-NWDGAFQWSA-N 1 0 295.345 2.893 50 0 CFAARO Cc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])c(C)n1C(C)C ZINC000130938144 377633042 /nfs/dbraw/zinc/63/30/42/377633042.db2.gz OECWUXASHTXCDI-CQSZACIVSA-N 1 0 277.412 2.639 50 0 CFAARO COc1cccc(Cl)c1C[NH2+][C@H]1CCCOC1 ZINC000134784530 378049007 /nfs/dbraw/zinc/04/90/07/378049007.db2.gz WCPCDFDHZVFQDO-JTQLQIEISA-N 1 0 255.745 2.617 50 0 CFAARO O=C(NCCCc1ncc[nH]1)c1ccc2c(c1)CCCC2 ZINC000141246499 378241246 /nfs/dbraw/zinc/24/12/46/378241246.db2.gz GRAMNXGLPHRDMH-UHFFFAOYSA-N 1 0 283.375 2.651 50 0 CFAARO CC[N@H+](Cc1nc(C2CC2)no1)[C@@H]1CCOC(C)(C)C1 ZINC000329798689 378498431 /nfs/dbraw/zinc/49/84/31/378498431.db2.gz XOKOVQJBYFFQRW-GFCCVEGCSA-N 1 0 279.384 2.727 50 0 CFAARO c1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)oc1-c1ccccc1 ZINC000153574805 378499214 /nfs/dbraw/zinc/49/92/14/378499214.db2.gz SZYXUDXOPHJKAG-QGZVFWFLSA-N 1 0 284.359 2.954 50 0 CFAARO Cc1ncccc1C[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000154702004 378589264 /nfs/dbraw/zinc/58/92/64/378589264.db2.gz CYAXFWDAPFRVOA-OXQOHEQNSA-N 1 0 288.416 2.599 50 0 CFAARO CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1F ZINC000163467373 378975174 /nfs/dbraw/zinc/97/51/74/378975174.db2.gz QUQPCIDJUYVCIT-KGLIPLIRSA-N 1 0 264.344 2.535 50 0 CFAARO C[NH2+]C[C@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000163760092 378989380 /nfs/dbraw/zinc/98/93/80/378989380.db2.gz VNTDDUAWWPKJRW-LLVKDONJSA-N 1 0 290.304 2.886 50 0 CFAARO C[C@]1([NH2+]Cc2sccc2Br)CCOC1 ZINC000165012921 379032350 /nfs/dbraw/zinc/03/23/50/379032350.db2.gz LJDDVDXMJGAGGT-JTQLQIEISA-N 1 0 276.199 2.779 50 0 CFAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCCOc1ccc(F)cc1 ZINC000170595539 379124153 /nfs/dbraw/zinc/12/41/53/379124153.db2.gz MUJXQGJJZWUKBN-OLZOCXBDSA-N 1 0 297.370 2.772 50 0 CFAARO CC(C)c1cnc(C[NH2+][C@H](CO)C(C)(C)C)s1 ZINC000170595403 379124417 /nfs/dbraw/zinc/12/44/17/379124417.db2.gz XOXZYWCYJYPASF-LLVKDONJSA-N 1 0 256.415 2.763 50 0 CFAARO Cc1cc(NC[C@@H](c2ccccc2)N2CCOCC2)cc[nH+]1 ZINC000170597215 379125227 /nfs/dbraw/zinc/12/52/27/379125227.db2.gz VAYZOPLRLGIRFG-SFHVURJKSA-N 1 0 297.402 2.875 50 0 CFAARO C[N@@H+](Cc1ccc(Cl)cc1F)C[C@@H]1CCOC1 ZINC000171669447 379365352 /nfs/dbraw/zinc/36/53/52/379365352.db2.gz BDPLWLYGOAILIR-JTQLQIEISA-N 1 0 257.736 2.947 50 0 CFAARO Cc1cc(N[C@H]2CCc3c2cccc3F)nc(N)[nH+]1 ZINC000048962684 412928515 /nfs/dbraw/zinc/92/85/15/412928515.db2.gz IRQOXECHQFVPEJ-LBPRGKRZSA-N 1 0 258.300 2.606 50 0 CFAARO CC(C)[C@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000049077667 412932180 /nfs/dbraw/zinc/93/21/80/412932180.db2.gz OYEFINTWAXMMBW-CQSZACIVSA-N 1 0 271.364 2.544 50 0 CFAARO O=C1N(C2CC[NH2+]CC2)[C@@H](c2ccncc2)C12CCCCC2 ZINC000169676543 284853218 /nfs/dbraw/zinc/85/32/18/284853218.db2.gz VOYZODMWGGQBKN-INIZCTEOSA-N 1 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IDFVBBMPPYQHHI-OAHLLOKOSA-N 1 0 274.389 2.643 50 0 CFAARO Cc1ncc(Cc2ccccc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000299782903 382046528 /nfs/dbraw/zinc/04/65/28/382046528.db2.gz XVKJXDOUEHYDCI-OAHLLOKOSA-N 1 0 267.376 2.843 50 0 CFAARO CCc1ccccc1C[N@@H+]1CC[C@]2(OC)CC[C@H](O)C[C@H]12 ZINC000299785918 382048910 /nfs/dbraw/zinc/04/89/10/382048910.db2.gz UYWLFUXLRNZURD-OKZBNKHCSA-N 1 0 289.419 2.753 50 0 CFAARO C1=C(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)CCCC1 ZINC000328597633 382551647 /nfs/dbraw/zinc/55/16/47/382551647.db2.gz IGPYNGFFKXEVHG-HNNXBMFYSA-N 1 0 286.423 2.904 50 0 CFAARO C[C@@H](SCC[NH+](C)C)c1nnnn1C1CCCCC1 ZINC000189064440 382535089 /nfs/dbraw/zinc/53/50/89/382535089.db2.gz XTLCSRRLHQKJAW-LLVKDONJSA-N 1 0 283.445 2.534 50 0 CFAARO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(Cl)cc1F ZINC000189355726 382597928 /nfs/dbraw/zinc/59/79/28/382597928.db2.gz VRVFCZNDJXJGLV-UWVGGRQHSA-N 1 0 259.752 2.976 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000190034834 382651140 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294.398 2.704 50 0 CFAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)NCc1ccccc1 ZINC000245237021 382996949 /nfs/dbraw/zinc/99/69/49/382996949.db2.gz BYKVMQDUMHOPGC-IRXDYDNUSA-N 1 0 286.419 2.815 50 0 CFAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)c1cccc(F)c1 ZINC000237596926 382966416 /nfs/dbraw/zinc/96/64/16/382966416.db2.gz ICYMEUNLTNCLOL-TYNCELHUSA-N 1 0 278.371 2.658 50 0 CFAARO C[C@H]1CCCN(C(=O)c2coc(-c3ccccc3)n2)[C@H]1C[NH3+] ZINC000237661880 382968866 /nfs/dbraw/zinc/96/88/66/382968866.db2.gz ZFMYGKKTHCHRJR-WFASDCNBSA-N 1 0 299.374 2.541 50 0 CFAARO Cc1ccccc1C1(C[NH2+]Cc2ncc[nH]2)CCOCC1 ZINC000237699204 382969078 /nfs/dbraw/zinc/96/90/78/382969078.db2.gz MAHPZPRHHGKWDA-UHFFFAOYSA-N 1 0 285.391 2.556 50 0 CFAARO CCCCO[C@@H]1C[C@H]([NH2+][C@H]2CCCn3ncnc32)C1(C)C ZINC000245881317 383043241 /nfs/dbraw/zinc/04/32/41/383043241.db2.gz KUPGEIJYBZNBGD-MELADBBJSA-N 1 0 292.427 2.686 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@H+](C)C[C@H]2CCC[C@H]2O)cc1C ZINC000246152085 383064541 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C[C@@H](CC[N@@H+]1CCOC[C@]12CCOC2)c1ccccc1 ZINC000249394638 383343908 /nfs/dbraw/zinc/34/39/08/383343908.db2.gz BWWAZDMPKBZJHE-DOTOQJQBSA-N 1 0 275.392 2.672 50 0 CFAARO C[C@H]1C[N@H+](CCSCc2ccccc2)CC[C@H]1O ZINC000248724683 383285222 /nfs/dbraw/zinc/28/52/22/383285222.db2.gz HSOQKXXJDBRQPB-DZGCQCFKSA-N 1 0 265.422 2.623 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000521394152 383294515 /nfs/dbraw/zinc/29/45/15/383294515.db2.gz NQXIZMDQDUQHTP-QEWYBTABSA-N 1 0 293.382 2.918 50 0 CFAARO Cc1nncn1CC[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000426493916 383402722 /nfs/dbraw/zinc/40/27/22/383402722.db2.gz DDYJCWQNWCDFJU-INIZCTEOSA-N 1 0 284.407 2.712 50 0 CFAARO CCCN(Cc1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000426523386 383404198 /nfs/dbraw/zinc/40/41/98/383404198.db2.gz GAXWYMSSCBXSTA-UHFFFAOYSA-N 1 0 297.830 2.823 50 0 CFAARO Cc1cc(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)cnc1C ZINC000426661387 383408900 /nfs/dbraw/zinc/40/89/00/383408900.db2.gz USJPXKTWOKRQRN-CQSZACIVSA-N 1 0 289.423 2.579 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(-n2cccn2)nc1)c1cccc(O)c1 ZINC000252478731 383410551 /nfs/dbraw/zinc/41/05/51/383410551.db2.gz ATXJAXOOTJZALP-ZDUSSCGKSA-N 1 0 294.358 2.824 50 0 CFAARO Brc1cncc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252711592 532979911 /nfs/dbraw/zinc/97/99/11/532979911.db2.gz JZYRIWOZBWKTRC-AAEUAGOBSA-N 1 0 296.212 2.883 50 0 CFAARO c1ncn(C2CC[NH+](CCSC3CCCCC3)CC2)n1 ZINC000252497683 383414448 /nfs/dbraw/zinc/41/44/48/383414448.db2.gz QMYIAOYWWUTXNH-UHFFFAOYSA-N 1 0 294.468 2.981 50 0 CFAARO CSc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1Cl ZINC000098016235 532982074 /nfs/dbraw/zinc/98/20/74/532982074.db2.gz OOPGFRTXCUUNES-JTQLQIEISA-N 1 0 270.785 2.752 50 0 CFAARO Cc1nccn1CCCNc1nc(C(F)(F)F)ns1 ZINC000253415446 383456393 /nfs/dbraw/zinc/45/63/93/383456393.db2.gz DHUWRDYZGDIUKZ-UHFFFAOYSA-N 1 0 291.302 2.564 50 0 CFAARO C[C@@]([NH3+])(C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000253425574 383458354 /nfs/dbraw/zinc/45/83/54/383458354.db2.gz QXUIZLZCKJTVEV-QAPCUYQASA-N 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ZINC000521395235 256854087 /nfs/dbraw/zinc/85/40/87/256854087.db2.gz FGPGWZMCQZVRNQ-UKRRQHHQSA-N 1 0 282.391 2.672 50 0 CFAARO CC1(C)CC(Cc2nc([C@@H]3CCOC3)no2)CC(C)(C)[NH2+]1 ZINC000096166999 256886981 /nfs/dbraw/zinc/88/69/81/256886981.db2.gz LUWIIYKJSHKPEQ-GFCCVEGCSA-N 1 0 293.411 2.673 50 0 CFAARO O[C@@]1(C[NH2+]Cc2ccccc2)CCc2ccccc21 ZINC000055063169 285345489 /nfs/dbraw/zinc/34/54/89/285345489.db2.gz WRJOWPQILQKSBJ-QGZVFWFLSA-N 1 0 253.345 2.610 50 0 CFAARO O[C@H](C[N@H+](C[C@H]1CCCO1)C1CC1)c1ccc(F)cc1 ZINC000245339344 285348604 /nfs/dbraw/zinc/34/86/04/285348604.db2.gz SDVBRRUTFLVHJS-HZPDHXFCSA-N 1 0 279.355 2.503 50 0 CFAARO O[C@H](C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000013140424 285350681 /nfs/dbraw/zinc/35/06/81/285350681.db2.gz HMDFHKCUQNUSEN-CHWSQXEVSA-N 1 0 273.298 2.994 50 0 CFAARO C[NH2+][C@@H](C)c1nc(C)nn1Cc1ccc(Cl)cc1 ZINC000824072562 781984962 /nfs/dbraw/zinc/98/49/62/781984962.db2.gz LKUGADIXZRLHBC-VIFPVBQESA-N 1 0 264.760 2.569 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH+]1CC(Oc2ccccc2)C1 ZINC000824250080 781988994 /nfs/dbraw/zinc/98/89/94/781988994.db2.gz HZFREKUGSAPGIN-CYBMUJFWSA-N 1 0 263.381 2.953 50 0 CFAARO [NH3+][C@H]1CCCCC[C@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000094754051 184853787 /nfs/dbraw/zinc/85/37/87/184853787.db2.gz IZWBBRWUXJWPBI-CABCVRRESA-N 1 0 264.413 2.543 50 0 CFAARO c1cc2c(o1)CCC[C@H]2[NH2+]C1CCN(c2ncccn2)CC1 ZINC000178493375 285457243 /nfs/dbraw/zinc/45/72/43/285457243.db2.gz YNZXNGVTIXDFRL-OAHLLOKOSA-N 1 0 298.390 2.706 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000269192819 132128625 /nfs/dbraw/zinc/12/86/25/132128625.db2.gz KWNLPRVGIXKUKS-AXFHLTTASA-N 1 0 296.773 2.532 50 0 CFAARO Cc1ccc(NC2=NC3(CCCCC3)NC(=[NH2+])N2)cc1C ZINC000000203731 393450064 /nfs/dbraw/zinc/45/00/64/393450064.db2.gz CJTUQGMZJPMVQS-UHFFFAOYSA-N 1 0 285.395 2.650 50 0 CFAARO FC(F)(F)c1cnc(N2CCC[NH2+]CC2)c(Cl)c1 ZINC000006083835 393462456 /nfs/dbraw/zinc/46/24/56/393462456.db2.gz PKKLERQDFWUWNM-UHFFFAOYSA-N 1 0 279.693 2.554 50 0 CFAARO C1C[C@@H]2CN(C3C4CC5CC(C4)CC3C5)CC[N@@H+]2C1 ZINC000019637772 393483278 /nfs/dbraw/zinc/48/32/78/393483278.db2.gz KWORYKSPKDSKKG-OBYDGYHJSA-N 1 0 260.425 2.591 50 0 CFAARO CC(C)c1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019946408 393485255 /nfs/dbraw/zinc/48/52/55/393485255.db2.gz WTORLHTUUKMTSZ-KRWDZBQOSA-N 1 0 258.409 2.994 50 0 CFAARO CC[NH+](CC)CCOC(=O)Cc1ccc(Cl)cc1 ZINC000020158615 393486540 /nfs/dbraw/zinc/48/65/40/393486540.db2.gz UHRNYLUTLOFTIN-UHFFFAOYSA-N 1 0 269.772 2.768 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c(C)c1 ZINC000063193571 393630058 /nfs/dbraw/zinc/63/00/58/393630058.db2.gz YLQQQUQECDGTID-ZFWWWQNUSA-N 1 0 260.381 2.645 50 0 CFAARO CCc1ccc(CNC(=O)CC[C@@H](C)[NH+]2CCCC2)nc1 ZINC000222269758 393763388 /nfs/dbraw/zinc/76/33/88/393763388.db2.gz IGEITVHWKFOFIZ-CQSZACIVSA-N 1 0 289.423 2.525 50 0 CFAARO CC(=O)N[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1C(C)C ZINC000077522396 393700168 /nfs/dbraw/zinc/70/01/68/393700168.db2.gz ZGYVIJDIVMOZEV-DOTOQJQBSA-N 1 0 297.402 2.832 50 0 CFAARO COCC[N@H+](C)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000218954193 393759168 /nfs/dbraw/zinc/75/91/68/393759168.db2.gz BYVJBNKSTZSUHF-ZDUSSCGKSA-N 1 0 253.342 2.599 50 0 CFAARO CCCn1ncc(CN2CC[NH2+][C@@H](c3ccccc3)C2)c1C ZINC000222905839 393763787 /nfs/dbraw/zinc/76/37/87/393763787.db2.gz GGFKDCSQSHTTLW-GOSISDBHSA-N 1 0 298.434 2.748 50 0 CFAARO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)CC[NH3+] ZINC000225464107 393769075 /nfs/dbraw/zinc/76/90/75/393769075.db2.gz SAYXCEKIFLVQTR-ZDUSSCGKSA-N 1 0 254.418 2.837 50 0 CFAARO O=C(c1ccc(F)c(F)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000239882234 393797927 /nfs/dbraw/zinc/79/79/27/393797927.db2.gz DAPIWZOFSUPLOR-UHFFFAOYSA-N 1 0 294.345 2.571 50 0 CFAARO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000093444165 393799449 /nfs/dbraw/zinc/79/94/49/393799449.db2.gz JFTSNYJVJZHMNO-ZDUSSCGKSA-N 1 0 266.410 2.858 50 0 CFAARO CC(C)c1cc(N2CCC[C@@]3(CC[N@H+](C)C3)C2)ncn1 ZINC000095388109 393811808 /nfs/dbraw/zinc/81/18/08/393811808.db2.gz UKTCJWKGPWOXOJ-INIZCTEOSA-N 1 0 274.412 2.522 50 0 CFAARO CCCCC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000095462696 393812728 /nfs/dbraw/zinc/81/27/28/393812728.db2.gz TXEIZAZCNWXQIE-IYBDPMFKSA-N 1 0 268.445 2.750 50 0 CFAARO C(=C\c1ccccc1)\CN1CC[NH+](CC2CC2)CC1 ZINC000096179346 393815796 /nfs/dbraw/zinc/81/57/96/393815796.db2.gz MXFYHMKEEKGKCR-DAXSKMNVSA-N 1 0 256.393 2.727 50 0 CFAARO NC(=O)C[C@H]1CCCC[N@@H+]1CCSc1ccccc1 ZINC000096410314 393823887 /nfs/dbraw/zinc/82/38/87/393823887.db2.gz FTEBATCMKOHTLQ-CYBMUJFWSA-N 1 0 278.421 2.509 50 0 CFAARO COc1cccc(C[N@@H+]2CC[C@H](CSC)C2)c1 ZINC000096417916 393826193 /nfs/dbraw/zinc/82/61/93/393826193.db2.gz JKSNOEZEKAQGID-ZDUSSCGKSA-N 1 0 251.395 2.880 50 0 CFAARO Cc1cccnc1[C@H]([NH2+]Cc1cc(=O)c(O)co1)C(C)C ZINC000096424373 393829875 /nfs/dbraw/zinc/82/98/75/393829875.db2.gz WAEBGIQPLQRBAT-OAHLLOKOSA-N 1 0 288.347 2.536 50 0 CFAARO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096432447 393832849 /nfs/dbraw/zinc/83/28/49/393832849.db2.gz BITXAXUFNWRKTG-CYBMUJFWSA-N 1 0 285.391 2.582 50 0 CFAARO CCn1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(C)n1 ZINC000248048431 393904596 /nfs/dbraw/zinc/90/45/96/393904596.db2.gz VZXTVEILFPANMF-MRXNPFEDSA-N 1 0 280.375 2.928 50 0 CFAARO Cc1ccc2ncccc2c1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000097334261 393840194 /nfs/dbraw/zinc/84/01/94/393840194.db2.gz ZIMNBVNASPGQEL-CQSZACIVSA-N 1 0 297.402 2.773 50 0 CFAARO CN(C)C(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000098010274 393841880 /nfs/dbraw/zinc/84/18/80/393841880.db2.gz HYYOKPRGAKCMAP-CYBMUJFWSA-N 1 0 298.839 2.518 50 0 CFAARO Clc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCOC1)CCO2 ZINC000252510107 393937061 /nfs/dbraw/zinc/93/70/61/393937061.db2.gz ZBLQPZZJSPRXBX-LBPRGKRZSA-N 1 0 281.783 2.961 50 0 CFAARO CCc1nc2ccc(N3CC[NH+](C)CC3)cc2nc1CC ZINC000001406995 134533102 /nfs/dbraw/zinc/53/31/02/134533102.db2.gz MVCDJCCQUUJUFX-UHFFFAOYSA-N 1 0 284.407 2.506 50 0 CFAARO CC(C)[NH2+]C[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000125729648 394012051 /nfs/dbraw/zinc/01/20/51/394012051.db2.gz OOSYBHPKLURJSF-RYUDHWBXSA-N 1 0 286.416 2.745 50 0 CFAARO C[NH+]1CCC(CNC(=O)CCc2ccccc2Cl)CC1 ZINC000127458225 394051355 /nfs/dbraw/zinc/05/13/55/394051355.db2.gz PXUXBYCTRAFZTC-UHFFFAOYSA-N 1 0 294.826 2.731 50 0 CFAARO C/C=C/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000012537730 134683736 /nfs/dbraw/zinc/68/37/36/134683736.db2.gz QEGXTTJUUCOBEV-YTXTXJHMSA-N 1 0 299.418 2.818 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)nn1 ZINC000283021621 394128910 /nfs/dbraw/zinc/12/89/10/394128910.db2.gz GXDFJFAOWFCMRQ-BBRMVZONSA-N 1 0 283.375 2.863 50 0 CFAARO Cc1ccsc1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000069874095 134944645 /nfs/dbraw/zinc/94/46/45/134944645.db2.gz JVRMKFYXBCQBKI-CYBMUJFWSA-N 1 0 288.420 2.605 50 0 CFAARO O=[n+]1c2cc(C(F)(F)F)ccc2n(O)c2c1CCCC2 ZINC000526055764 394384285 /nfs/dbraw/zinc/38/42/85/394384285.db2.gz KVNTXXAIAUPYCW-UHFFFAOYSA-N 1 0 285.245 2.691 50 0 CFAARO Cc1ccoc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093063895 135078365 /nfs/dbraw/zinc/07/83/65/135078365.db2.gz CEJGKJOOFFFWKR-UHFFFAOYSA-N 1 0 299.374 2.629 50 0 CFAARO c1sc2ncnc(N3CC[NH2+]CC3)c2c1-c1ccccc1 ZINC000000066573 285601091 /nfs/dbraw/zinc/60/10/91/285601091.db2.gz CROSIIFKOPCIFE-UHFFFAOYSA-N 1 0 296.399 2.768 50 0 CFAARO O=C(CC1CCCCC1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916085 543032317 /nfs/dbraw/zinc/03/23/17/543032317.db2.gz GFYGDRGHQFXQMF-INIZCTEOSA-N 1 0 278.440 2.947 50 0 CFAARO C=C1[NH+]=C(NC)S[C@@H](c2ccccc2)C1C(=O)OCC ZINC000001410010 285669183 /nfs/dbraw/zinc/66/91/83/285669183.db2.gz MHDSNTIFOYTVRI-ZDUSSCGKSA-N 1 0 290.388 2.887 50 0 CFAARO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c(C)s1 ZINC000046878571 397582724 /nfs/dbraw/zinc/58/27/24/397582724.db2.gz WHHYIOGEPCKCHH-LLVKDONJSA-N 1 0 280.437 2.827 50 0 CFAARO Cc1sc(N2CC[NH2+]CC2)nc1-c1ccccc1 ZINC000008816161 397536858 /nfs/dbraw/zinc/53/68/58/397536858.db2.gz PHVWFKJEPVAZNP-UHFFFAOYSA-N 1 0 259.378 2.528 50 0 CFAARO C[C@@H]1CCC[C@H](NC(=O)C[NH2+]CCc2ccccc2)[C@H]1C ZINC000102254273 397594038 /nfs/dbraw/zinc/59/40/38/397594038.db2.gz UALCJLFEJBRVTK-VYDXJSESSA-N 1 0 288.435 2.760 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccncc2)[C@@H](CC)C1 ZINC000107323663 397597220 /nfs/dbraw/zinc/59/72/20/397597220.db2.gz WIZYPXPECTUFTH-YCPHGPKFSA-N 1 0 289.423 2.769 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)C[C@H](C)C(F)(F)F ZINC000216462183 397620285 /nfs/dbraw/zinc/62/02/85/397620285.db2.gz VCXVUNPIJGUBGT-QMMMGPOBSA-N 1 0 263.307 2.699 50 0 CFAARO OC(c1ccccc1)(c1ccccc1)C1CC[NH2+]CC1 ZINC000012375998 304820332 /nfs/dbraw/zinc/82/03/32/304820332.db2.gz ZMISODWVFHHWNR-UHFFFAOYSA-N 1 0 267.372 2.922 50 0 in-man CFAARO Cc1cnc(C)c(NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000825243014 782006333 /nfs/dbraw/zinc/00/63/33/782006333.db2.gz JUKQRMGOPPQNEB-UHFFFAOYSA-N 1 0 297.406 2.565 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C)C ZINC000001321784 292354256 /nfs/dbraw/zinc/35/42/56/292354256.db2.gz LSKOBBMGJQZPPY-HOCLYGCPSA-N 1 0 272.392 2.785 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@H]1C[C@H]1C ZINC000239782586 292354428 /nfs/dbraw/zinc/35/44/28/292354428.db2.gz CPLGFGVZGNQBRG-RMRKRWHISA-N 1 0 284.403 2.785 50 0 CFAARO Fc1ccc(-n2cc(C[NH2+][C@H]3CCCSC3)cn2)cc1 ZINC000344714675 162105657 /nfs/dbraw/zinc/10/56/57/162105657.db2.gz FFSMCCZHWXDFOW-AWEZNQCLSA-N 1 0 291.395 2.997 50 0 CFAARO Cc1cnccc1CC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000352698317 163225264 /nfs/dbraw/zinc/22/52/64/163225264.db2.gz QTLNIBUAPMMQCF-CQSZACIVSA-N 1 0 270.376 2.859 50 0 CFAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1cccc(F)c1 ZINC000004742532 170009372 /nfs/dbraw/zinc/00/93/72/170009372.db2.gz SFFFHPJRJWZKMT-LLVKDONJSA-N 1 0 253.317 2.713 50 0 CFAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000004745158 170010247 /nfs/dbraw/zinc/01/02/47/170010247.db2.gz SMXVTZJXOQAMLM-QGZVFWFLSA-N 1 0 286.419 2.829 50 0 CFAARO Cc1ccc(SCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004842838 170028965 /nfs/dbraw/zinc/02/89/65/170028965.db2.gz WZXXLVPFXOAZGQ-ZDUSSCGKSA-N 1 0 251.395 2.856 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(C)c1C ZINC000004948443 170044583 /nfs/dbraw/zinc/04/45/83/170044583.db2.gz LNOWMJVGFPZKPL-AWEZNQCLSA-N 1 0 263.381 2.516 50 0 CFAARO CC(C)=CCC/C(C)=C/C[NH+](C[C@H](C)O)C[C@H](C)O ZINC000004988900 170050244 /nfs/dbraw/zinc/05/02/44/170050244.db2.gz RZZINQFSDGIYIW-GQXMGIGRSA-N 1 0 269.429 2.743 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000004993744 170051795 /nfs/dbraw/zinc/05/17/95/170051795.db2.gz JJJSFNAYCUSJCN-CYBMUJFWSA-N 1 0 295.386 2.728 50 0 CFAARO CCc1cc2c(nc(C)nc2NCCC[NH+](C)C)s1 ZINC000005017347 170055945 /nfs/dbraw/zinc/05/59/45/170055945.db2.gz QUEMBMACNMJNAV-UHFFFAOYSA-N 1 0 278.425 2.926 50 0 CFAARO COc1ccccc1C(=O)O[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000005730025 170134585 /nfs/dbraw/zinc/13/45/85/170134585.db2.gz KTZCSPSWFXRDPE-SLEUVZQESA-N 1 0 277.364 2.581 50 0 CFAARO Cc1cc(NC(=O)C[NH2+]C2CCCCCCC2)no1 ZINC000005793324 170140648 /nfs/dbraw/zinc/14/06/48/170140648.db2.gz BESGPFXMNOPZFM-UHFFFAOYSA-N 1 0 265.357 2.624 50 0 CFAARO CCCC[N@H+](CC)C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000005938925 170159241 /nfs/dbraw/zinc/15/92/41/170159241.db2.gz DIEPIFIUWYBJAB-MRXNPFEDSA-N 1 0 293.407 2.751 50 0 CFAARO CCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000006273597 170187702 /nfs/dbraw/zinc/18/77/02/170187702.db2.gz ZMUBLQTUQKXVGH-UHFFFAOYSA-N 1 0 274.408 2.815 50 0 CFAARO Cc1ccc(C)c(NC(=O)NCC[NH+]2CCCCC2)c1 ZINC000006698331 170227301 /nfs/dbraw/zinc/22/73/01/170227301.db2.gz CYBYJOWDROKGLM-UHFFFAOYSA-N 1 0 275.396 2.911 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000006700266 170228992 /nfs/dbraw/zinc/22/89/92/170228992.db2.gz HOYIDWCQOPHPOE-UHFFFAOYSA-N 1 0 283.322 2.571 50 0 CFAARO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000006742349 170238013 /nfs/dbraw/zinc/23/80/13/170238013.db2.gz BYCANJZNVQQBMF-CYBMUJFWSA-N 1 0 276.380 2.756 50 0 CFAARO O=C(C[NH2+]C1CC1)Nc1c(Cl)cccc1Cl ZINC000006784800 170243489 /nfs/dbraw/zinc/24/34/89/170243489.db2.gz ORMNSOVHORAJNK-UHFFFAOYSA-N 1 0 259.136 2.684 50 0 CFAARO OCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000006889504 170253590 /nfs/dbraw/zinc/25/35/90/170253590.db2.gz RNJUYDFJWDKDPM-UHFFFAOYSA-N 1 0 289.350 2.877 50 0 CFAARO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000006996376 170260764 /nfs/dbraw/zinc/26/07/64/170260764.db2.gz CKDSLRYVWLKERY-HOTGVXAUSA-N 1 0 277.408 2.918 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)C1CCCCC1 ZINC000006992417 170261080 /nfs/dbraw/zinc/26/10/80/170261080.db2.gz NJFYQXQTIOMKJO-UHFFFAOYSA-N 1 0 274.408 2.945 50 0 CFAARO Cc1csc2nc(C[N@H+](C)Cc3ccccc3)cc(=O)n12 ZINC000007007181 170261992 /nfs/dbraw/zinc/26/19/92/170261992.db2.gz LHSUNSYENNMAKM-UHFFFAOYSA-N 1 0 299.399 2.696 50 0 CFAARO CC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1 ZINC000008227118 170325711 /nfs/dbraw/zinc/32/57/11/170325711.db2.gz AFEGVWKATJWDQY-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000008326680 170331501 /nfs/dbraw/zinc/33/15/01/170331501.db2.gz CKAOVMGJKHOVOQ-JTQLQIEISA-N 1 0 253.342 2.601 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2cccc(C=O)c2)C1 ZINC000009261386 170369446 /nfs/dbraw/zinc/36/94/46/170369446.db2.gz XEHJICFNDYDDQD-ZIAGYGMSSA-N 1 0 261.365 2.856 50 0 CFAARO CCCCOCCC[NH2+]Cc1ccc(OC)cc1 ZINC000013718089 170581216 /nfs/dbraw/zinc/58/12/16/170581216.db2.gz AUWSBDMNPAKBAI-UHFFFAOYSA-N 1 0 251.370 2.992 50 0 CFAARO C[NH2+][C@@H](C(=O)N(C)Cc1ccsc1)c1cccs1 ZINC000019595298 170830107 /nfs/dbraw/zinc/83/01/07/170830107.db2.gz XOLAKSGAECDMCK-GFCCVEGCSA-N 1 0 280.418 2.729 50 0 CFAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccncc1 ZINC000020140035 171026778 /nfs/dbraw/zinc/02/67/78/171026778.db2.gz RADMTVAQVFSCFL-ZDUSSCGKSA-N 1 0 256.349 2.898 50 0 CFAARO CC(C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020169615 171040571 /nfs/dbraw/zinc/04/05/71/171040571.db2.gz FETCLSUWJIWUPC-UHFFFAOYSA-N 1 0 278.371 2.562 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000020195939 171061132 /nfs/dbraw/zinc/06/11/32/171061132.db2.gz ZQQASDGMVDMSDO-HNNXBMFYSA-N 1 0 265.397 2.972 50 0 CFAARO Cc1noc(C)c1C[NH2+]CCCn1cnc2ccccc21 ZINC000020253250 171106302 /nfs/dbraw/zinc/10/63/02/171106302.db2.gz AXKVHAZQNGGDLB-UHFFFAOYSA-N 1 0 284.363 2.821 50 0 CFAARO [NH3+]CCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000020321432 171149683 /nfs/dbraw/zinc/14/96/83/171149683.db2.gz CUCRGENXDQBGNN-UHFFFAOYSA-N 1 0 270.361 2.729 50 0 CFAARO CCCn1cc(C[NH2+][C@@H]2COc3ccccc3C2)c(C)n1 ZINC000020600807 171266165 /nfs/dbraw/zinc/26/61/65/171266165.db2.gz UOULLXKSOFCXHQ-INIZCTEOSA-N 1 0 285.391 2.695 50 0 CFAARO COC[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000020600842 171266281 /nfs/dbraw/zinc/26/62/81/171266281.db2.gz QLIXWKCOISIUTQ-GFCCVEGCSA-N 1 0 269.772 2.687 50 0 CFAARO O=Cc1cc(Cl)ccc1OCCCCN1CCOCC1 ZINC000020639531 171269031 /nfs/dbraw/zinc/26/90/31/171269031.db2.gz PMXPEGDBKFZVFD-UHFFFAOYSA-N 1 0 297.782 2.644 50 0 CFAARO CCCOc1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020639481 171269097 /nfs/dbraw/zinc/26/90/97/171269097.db2.gz GKUVMAVOETWVAD-HUUCEWRRSA-N 1 0 293.407 2.963 50 0 CFAARO CCCOc1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020639478 171269110 /nfs/dbraw/zinc/26/91/10/171269110.db2.gz GKUVMAVOETWVAD-GJZGRUSLSA-N 1 0 293.407 2.963 50 0 CFAARO CCCOc1ccccc1C[NH2+]CCCOCC ZINC000020924422 171279799 /nfs/dbraw/zinc/27/97/99/171279799.db2.gz RRBWBMBHVBYYSE-UHFFFAOYSA-N 1 0 251.370 2.992 50 0 CFAARO COc1cc([C@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000022209613 171372939 /nfs/dbraw/zinc/37/29/39/171372939.db2.gz VUCRDFSEQMYSGW-NSHDSACASA-N 1 0 258.321 2.689 50 0 CFAARO COc1ccccc1CCN(C)CC[NH+]1CCCCC1 ZINC000022450377 171387538 /nfs/dbraw/zinc/38/75/38/171387538.db2.gz GXLIVHCIFCNKOM-UHFFFAOYSA-N 1 0 276.424 2.655 50 0 CFAARO Cc1csc2nc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc(=O)n12 ZINC000027134192 171508485 /nfs/dbraw/zinc/50/84/85/171508485.db2.gz XWSLKOIKFHWYBK-LLVKDONJSA-N 1 0 293.436 2.931 50 0 CFAARO COc1cccc2cc(C[NH2+][C@H](C)Cn3ccnc3)oc21 ZINC000035275284 172095918 /nfs/dbraw/zinc/09/59/18/172095918.db2.gz YPVZVSRXCBDCCW-GFCCVEGCSA-N 1 0 285.347 2.816 50 0 CFAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccc(F)cc1 ZINC000035655282 172331730 /nfs/dbraw/zinc/33/17/30/172331730.db2.gz GSOHPYLDGTVVNY-NSHDSACASA-N 1 0 253.317 2.713 50 0 CFAARO C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1cccs1 ZINC000035736798 172389899 /nfs/dbraw/zinc/38/98/99/172389899.db2.gz SFEHPRJRTRTMBM-SMDDNHRTSA-N 1 0 286.400 2.640 50 0 CFAARO Cc1ncccc1C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000657795767 413947978 /nfs/dbraw/zinc/94/79/78/413947978.db2.gz OEVROAYZYSCCJK-SUMWQHHRSA-N 1 0 270.376 2.644 50 0 CFAARO O=C(C[NH2+]CC1CCC1)Nc1ccc(Br)cc1 ZINC000037180636 173012777 /nfs/dbraw/zinc/01/27/77/173012777.db2.gz GYBBXPAIWKIURD-UHFFFAOYSA-N 1 0 297.196 2.777 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037213893 173034558 /nfs/dbraw/zinc/03/45/58/173034558.db2.gz XAXNXLBSMDJJLK-CQSZACIVSA-N 1 0 288.395 2.552 50 0 CFAARO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000037246949 173060085 /nfs/dbraw/zinc/06/00/85/173060085.db2.gz WXBOUFZFJFRVCW-IAGOWNOFSA-N 1 0 252.361 2.613 50 0 CFAARO Cc1cccc(NC(=O)C[NH2+]Cc2cccs2)c1 ZINC000037466984 173226490 /nfs/dbraw/zinc/22/64/90/173226490.db2.gz VXQPRPZUBMAWFZ-UHFFFAOYSA-N 1 0 260.362 2.785 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000655857298 414484222 /nfs/dbraw/zinc/48/42/22/414484222.db2.gz RZHOLEWXNPIDNH-CHWSQXEVSA-N 1 0 265.426 2.558 50 0 CFAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)CC1CC[NH2+]CC1 ZINC000038075798 174086321 /nfs/dbraw/zinc/08/63/21/174086321.db2.gz JJQIZIBDEXGCLD-LLVKDONJSA-N 1 0 296.361 2.874 50 0 CFAARO COc1ccc(CN2CC[NH+](CC=C(C)C)CC2)cc1 ZINC000039992545 174182004 /nfs/dbraw/zinc/18/20/04/174182004.db2.gz LEKKCFAWUHPHFF-UHFFFAOYSA-N 1 0 274.408 2.779 50 0 CFAARO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)sc1C ZINC000040074561 174187200 /nfs/dbraw/zinc/18/72/00/174187200.db2.gz CXPBDYHSWQERQP-UHFFFAOYSA-N 1 0 280.437 2.971 50 0 CFAARO Cc1ccc(C)c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000040074564 174187682 /nfs/dbraw/zinc/18/76/82/174187682.db2.gz NTHDLULDCITPAS-UHFFFAOYSA-N 1 0 274.408 2.909 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1cccc(F)c1 ZINC000040107543 174192133 /nfs/dbraw/zinc/19/21/33/174192133.db2.gz ZPVQWWFWPSTENF-VFNNOXKTSA-N 1 0 290.382 2.830 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1cccc(F)c1 ZINC000040266212 174217842 /nfs/dbraw/zinc/21/78/42/174217842.db2.gz NBKCFZMTICAELA-NVXWUHKLSA-N 1 0 282.318 2.750 50 0 CFAARO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCO2)c1OC ZINC000040722113 174385153 /nfs/dbraw/zinc/38/51/53/174385153.db2.gz UWDAYQJUTQJFAR-GFCCVEGCSA-N 1 0 285.771 2.626 50 0 CFAARO CCOc1ccc2ccccc2c1C[NH2+]CCCO ZINC000040721056 174385170 /nfs/dbraw/zinc/38/51/70/174385170.db2.gz GXGGNGSQSPZBST-UHFFFAOYSA-N 1 0 259.349 2.711 50 0 CFAARO COCC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000040728372 174387839 /nfs/dbraw/zinc/38/78/39/174387839.db2.gz SGWGUCJDNPATRO-UHFFFAOYSA-N 1 0 287.787 2.872 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCO)cc1Cl ZINC000040743704 174390822 /nfs/dbraw/zinc/39/08/22/174390822.db2.gz BXYXXBAPEHPXIY-UHFFFAOYSA-N 1 0 257.761 2.601 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]CCCO)cc1Cl ZINC000040743750 174390917 /nfs/dbraw/zinc/39/09/17/174390917.db2.gz QVCXGQAIPRANGU-UHFFFAOYSA-N 1 0 257.761 2.599 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000041028679 174453347 /nfs/dbraw/zinc/45/33/47/174453347.db2.gz YOCMRVKURXUGFQ-QMMMGPOBSA-N 1 0 273.163 2.557 50 0 CFAARO FC(F)(F)c1cccc(CN[C@H]2CCC[NH2+]C2)c1 ZINC000043323965 175006302 /nfs/dbraw/zinc/00/63/02/175006302.db2.gz HQEBPBKZVOVLEI-LBPRGKRZSA-N 1 0 258.287 2.547 50 0 CFAARO Cc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000045893409 175385650 /nfs/dbraw/zinc/38/56/50/175385650.db2.gz QKIDOHYNMQBENV-UHFFFAOYSA-N 1 0 257.337 2.587 50 0 CFAARO CC[C@@H](C)[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000045944840 175387263 /nfs/dbraw/zinc/38/72/63/175387263.db2.gz ZQDQSRPAOXXALJ-GFCCVEGCSA-N 1 0 258.369 2.853 50 0 CFAARO CC(C)n1nc(C[NH2+]C2CC2)c(-c2ccccc2)n1 ZINC000045944901 175387375 /nfs/dbraw/zinc/38/73/75/175387375.db2.gz MNETXNDWSUSSJT-UHFFFAOYSA-N 1 0 256.353 2.778 50 0 CFAARO CCc1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000045945450 175387834 /nfs/dbraw/zinc/38/78/34/175387834.db2.gz DTNGQAXCVXDCTI-UHFFFAOYSA-N 1 0 256.349 2.813 50 0 CFAARO Fc1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000045945476 175388055 /nfs/dbraw/zinc/38/80/55/175388055.db2.gz UGHSEWACBXQOKV-UHFFFAOYSA-N 1 0 260.312 2.779 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000053202153 175543972 /nfs/dbraw/zinc/54/39/72/175543972.db2.gz NSFGZFJHOBNLIP-SECBINFHSA-N 1 0 287.190 2.817 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000054181227 175555255 /nfs/dbraw/zinc/55/52/55/175555255.db2.gz ZCKGTYZGFLOSME-LBPRGKRZSA-N 1 0 289.354 2.732 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000069493282 175835128 /nfs/dbraw/zinc/83/51/28/175835128.db2.gz CDCSVTDTSMZBBS-HNNXBMFYSA-N 1 0 257.381 2.802 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000069779967 175853809 /nfs/dbraw/zinc/85/38/09/175853809.db2.gz YCGKNFONOVVLJH-UXLLHSPISA-N 1 0 287.407 2.638 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNc1nc(C)cc(C2CCC2)n1 ZINC000071576098 176203793 /nfs/dbraw/zinc/20/37/93/176203793.db2.gz PZKGHTPZPDPTTQ-AWEZNQCLSA-N 1 0 274.412 2.949 50 0 CFAARO Cc1cc(NCc2ccccc2COC(C)C)nc(N)[nH+]1 ZINC000071801913 176266124 /nfs/dbraw/zinc/26/61/24/176266124.db2.gz OCFLIQMHVUQGRI-UHFFFAOYSA-N 1 0 286.379 2.904 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(CO)c(F)c1 ZINC000071825344 176271891 /nfs/dbraw/zinc/27/18/91/176271891.db2.gz KEWJHQJOAPGHJX-UHFFFAOYSA-N 1 0 291.370 2.628 50 0 CFAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000071834729 176273663 /nfs/dbraw/zinc/27/36/63/176273663.db2.gz HULVBHXKYFOQRW-AWEZNQCLSA-N 1 0 285.391 2.724 50 0 CFAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCC(O)CC1 ZINC000071837461 176274193 /nfs/dbraw/zinc/27/41/93/176274193.db2.gz PHZXQKWFTPFETC-UHFFFAOYSA-N 1 0 299.418 2.882 50 0 CFAARO Cc1cc(N2CC[C@@H](c3cccc(F)c3)C2)nc(N)[nH+]1 ZINC000071856509 176278554 /nfs/dbraw/zinc/27/85/54/176278554.db2.gz JLTWFMXTRQLVKR-GFCCVEGCSA-N 1 0 272.327 2.500 50 0 CFAARO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000071915683 176299046 /nfs/dbraw/zinc/29/90/46/176299046.db2.gz QMGQKLUDQDASHZ-HOTGVXAUSA-N 1 0 281.371 2.750 50 0 CFAARO O=C1N(CCC2CCCCC2)CCC[C@]12CC[NH2+]C2 ZINC000072129241 176320997 /nfs/dbraw/zinc/32/09/97/176320997.db2.gz UTUVFSZJURKYID-MRXNPFEDSA-N 1 0 264.413 2.559 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000072140308 176323465 /nfs/dbraw/zinc/32/34/65/176323465.db2.gz XUFAVENNORUEPY-GFCCVEGCSA-N 1 0 274.389 2.855 50 0 CFAARO CC[C@H]1CN(Cc2ncccc2F)CC[N@@H+]1C(C)C ZINC000072146081 176324930 /nfs/dbraw/zinc/32/49/30/176324930.db2.gz CZBOIZFTJDMIAQ-ZDUSSCGKSA-N 1 0 265.376 2.525 50 0 CFAARO c1ccc([C@@H]2CCC[N@H+]2Cc2cccc3nonc32)nc1 ZINC000072146608 176324936 /nfs/dbraw/zinc/32/49/36/176324936.db2.gz FLKCLJOKBYWQNW-HNNXBMFYSA-N 1 0 280.331 2.955 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H](C)C2)C1 ZINC000072274365 176355549 /nfs/dbraw/zinc/35/55/49/176355549.db2.gz SYJUHBGPAAYFTM-GJZGRUSLSA-N 1 0 281.444 2.548 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H]1CCc1cc(Cl)ncn1 ZINC000072343865 176372234 /nfs/dbraw/zinc/37/22/34/176372234.db2.gz WJWYICPOXHNXFC-GFCCVEGCSA-N 1 0 253.777 2.935 50 0 CFAARO CCC(O)(CC)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000076398475 177015582 /nfs/dbraw/zinc/01/55/82/177015582.db2.gz ZSTHZTZNYMLLQD-UHFFFAOYSA-N 1 0 261.287 2.745 50 0 CFAARO CCn1cc(C[NH+]2CCC([C@H](O)CC(C)C)CC2)cn1 ZINC000077489814 177274233 /nfs/dbraw/zinc/27/42/33/177274233.db2.gz KAFQKICNCVABCV-MRXNPFEDSA-N 1 0 279.428 2.522 50 0 CFAARO c1ccc(C[NH2+]C2CCN(CCc3ccncc3)CC2)cc1 ZINC000078394247 177337281 /nfs/dbraw/zinc/33/72/81/177337281.db2.gz YAVIHFLBBVCHBF-UHFFFAOYSA-N 1 0 295.430 2.878 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3)C2)cc1O ZINC000078604210 177359394 /nfs/dbraw/zinc/35/93/94/177359394.db2.gz HBTUBSOZWYUFCZ-HNNXBMFYSA-N 1 0 298.386 2.769 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000299740305 273965263 /nfs/dbraw/zinc/96/52/63/273965263.db2.gz YGCMQZYLYWLDJB-JTQLQIEISA-N 1 0 292.766 2.768 50 0 CFAARO CSc1nn(-c2ccccc2)c[n+]1-c1ccccc1 ZINC000000173024 274190017 /nfs/dbraw/zinc/19/00/17/274190017.db2.gz IJEQLXUGIGTAHW-UHFFFAOYSA-N 1 0 268.365 2.871 50 0 CFAARO C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)C1CCC1 ZINC000095941338 274244896 /nfs/dbraw/zinc/24/48/96/274244896.db2.gz QGJDQPQZBHPWQF-GFCCVEGCSA-N 1 0 290.432 2.904 50 0 CFAARO C[C@@H]([NH2+][C@H](Cn1cncn1)c1ccccc1)C1CCC1 ZINC000095421763 274261116 /nfs/dbraw/zinc/26/11/16/274261116.db2.gz GDHIIVVULNEBAX-CZUORRHYSA-N 1 0 270.380 2.798 50 0 CFAARO C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)c2cc(Cl)ccc2O1 ZINC000261815073 274350389 /nfs/dbraw/zinc/35/03/89/274350389.db2.gz HXYXMWMLMBYKAG-VXGBXAGGSA-N 1 0 280.799 2.927 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccc(C)o1)CCC2 ZINC000089656091 274824026 /nfs/dbraw/zinc/82/40/26/274824026.db2.gz VUVXLIPXECFFFR-CYBMUJFWSA-N 1 0 259.353 2.760 50 0 CFAARO Clc1ccc([C@@H]2OCC[C@H]2[NH2+]CCn2cccn2)cc1 ZINC000192022842 274881847 /nfs/dbraw/zinc/88/18/47/274881847.db2.gz HIFJTVYTCXEWFO-CABCVRRESA-N 1 0 291.782 2.656 50 0 CFAARO O=C(c1ccoc1)N1CCC[N@H+](C[C@H]2CC=CCC2)CC1 ZINC000371412767 275014741 /nfs/dbraw/zinc/01/47/41/275014741.db2.gz XXULMRJVERPVCN-HNNXBMFYSA-N 1 0 288.391 2.784 50 0 CFAARO O=C1Nc2ccccc2NC12CC[NH+](CC1CCC1)CC2 ZINC000077353856 275026138 /nfs/dbraw/zinc/02/61/38/275026138.db2.gz HWKSCSCTHNDEGI-UHFFFAOYSA-N 1 0 285.391 2.685 50 0 CFAARO CC(=O)N1CC[n+]2cc(-c3ccc(Cl)cc3)sc21 ZINC000000392218 275470011 /nfs/dbraw/zinc/47/00/11/275470011.db2.gz SVELXSIWWFLDEC-UHFFFAOYSA-N 1 0 279.772 2.723 50 0 CFAARO CC(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2=O)cc1 ZINC000072133883 275739065 /nfs/dbraw/zinc/73/90/65/275739065.db2.gz IBHOUMFYELVWML-SFHVURJKSA-N 1 0 286.419 2.912 50 0 CFAARO CCN(C[C@@H]1CCCCO1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000299793266 276136331 /nfs/dbraw/zinc/13/63/31/276136331.db2.gz IFHDGHYFTSQJIQ-HNNXBMFYSA-N 1 0 291.395 2.568 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCCn2ncnc21 ZINC000241588472 276181569 /nfs/dbraw/zinc/18/15/69/276181569.db2.gz PDMKGYBQJWLPHY-IHRRRGAJSA-N 1 0 260.385 2.695 50 0 CFAARO CCSCC[N@@H+]1CCC=C([C@@H]2CCCCN2C(C)=O)C1 ZINC000065456936 276394837 /nfs/dbraw/zinc/39/48/37/276394837.db2.gz KTYRCCVFTMRDOY-INIZCTEOSA-N 1 0 296.480 2.773 50 0 CFAARO CN(C)[C@H](CNC1=[NH+]CCCCC1)c1ccccc1 ZINC000006007421 276792369 /nfs/dbraw/zinc/79/23/69/276792369.db2.gz FLUIRLDNBZKMGV-OAHLLOKOSA-N 1 0 259.397 2.851 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)NC1CCCCC1)c1ccccc1 ZINC000010017727 276856795 /nfs/dbraw/zinc/85/67/95/276856795.db2.gz ATHADVQRYYPJLM-MRXNPFEDSA-N 1 0 289.423 2.921 50 0 CFAARO CN1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000095419522 277031413 /nfs/dbraw/zinc/03/14/13/277031413.db2.gz JQZRKBSEVSMCOJ-MRXNPFEDSA-N 1 0 276.449 2.701 50 0 CFAARO CN1CCC([NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000097016446 277031597 /nfs/dbraw/zinc/03/15/97/277031597.db2.gz IFJLIBXFYDBRMV-AWEZNQCLSA-N 1 0 262.397 2.977 50 0 CFAARO C[NH2+]CC(=O)N1CCc2cc(Cl)cc(Cl)c2[C@H]1C ZINC000336117557 277264075 /nfs/dbraw/zinc/26/40/75/277264075.db2.gz PFCKWIPHTKKVKA-MRVPVSSYSA-N 1 0 287.190 2.659 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000133185283 277299922 /nfs/dbraw/zinc/29/99/22/277299922.db2.gz RNAWJOLGMPLSJF-JTQLQIEISA-N 1 0 284.762 2.612 50 0 CFAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[NH2+]CC2 ZINC000019229988 277394646 /nfs/dbraw/zinc/39/46/46/277394646.db2.gz GZGZWZVAJDFXJK-QGZVFWFLSA-N 1 0 269.344 2.939 50 0 biogenic,in-vitro CFAARO COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](C[NH3+])C2 ZINC000299788570 277442736 /nfs/dbraw/zinc/44/27/36/277442736.db2.gz RFAYQDAXOXCWMT-ZDUSSCGKSA-N 1 0 297.354 2.711 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@H](C)n2cccn2)cc1 ZINC000069368926 277899002 /nfs/dbraw/zinc/89/90/02/277899002.db2.gz RPJRKXDJOATQPW-OLZOCXBDSA-N 1 0 259.353 2.631 50 0 CFAARO COc1ccc2c(c1)OC[C@@H](Cc1c[nH+]c(N)cc1C)C2 ZINC000095520631 277974926 /nfs/dbraw/zinc/97/49/26/277974926.db2.gz SYGJCWADJUJQJQ-GFCCVEGCSA-N 1 0 284.359 2.775 50 0 CFAARO C[C@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)[NH+]1CCCCCC1 ZINC000098014308 278139670 /nfs/dbraw/zinc/13/96/70/278139670.db2.gz WLDDUYHALVCARR-GDBMZVCRSA-N 1 0 289.423 2.943 50 0 CFAARO CS[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000075921863 278163092 /nfs/dbraw/zinc/16/30/92/278163092.db2.gz QRJJLLHDFYKSKX-KGLIPLIRSA-N 1 0 284.469 2.605 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000063193120 278227408 /nfs/dbraw/zinc/22/74/08/278227408.db2.gz RZXNERDXYNSNPE-ZANVPECISA-N 1 0 284.762 2.821 50 0 CFAARO CC(C)(C)C1CCC([NH2+]CCN2CCOCC2)CC1 ZINC000019637217 278301843 /nfs/dbraw/zinc/30/18/43/278301843.db2.gz RODFCKPVFOJBOA-UHFFFAOYSA-N 1 0 268.445 2.513 50 0 CFAARO C[C@H](c1cccc(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000048838694 278310165 /nfs/dbraw/zinc/31/01/65/278310165.db2.gz SABOCTHHVHSSDB-SNVBAGLBSA-N 1 0 266.772 2.598 50 0 CFAARO C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000269233573 279132700 /nfs/dbraw/zinc/13/27/00/279132700.db2.gz SIEAAFCKJYVUHJ-YUELXQCFSA-N 1 0 272.392 2.650 50 0 CFAARO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000367427278 279276087 /nfs/dbraw/zinc/27/60/87/279276087.db2.gz XVMNICZVGWKCFK-AWEZNQCLSA-N 1 0 264.413 2.654 50 0 CFAARO CC(C)N(C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000225505383 279293134 /nfs/dbraw/zinc/29/31/34/279293134.db2.gz CKPQKYGRALSJLZ-OAHLLOKOSA-N 1 0 293.386 2.796 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005019677 279332247 /nfs/dbraw/zinc/33/22/47/279332247.db2.gz MWRYYURFNBRCQG-KUNBBXKYSA-N 1 0 290.451 2.803 50 0 CFAARO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130246759 279466672 /nfs/dbraw/zinc/46/66/72/279466672.db2.gz RMRIAJLKJYUNKD-QWRGUYRKSA-N 1 0 294.361 2.859 50 0 CFAARO C[C@H]([NH2+]C[C@H]1CCCn2ccnc21)c1ccncc1 ZINC000095402198 279485152 /nfs/dbraw/zinc/48/51/52/279485152.db2.gz QYZKOFZIFYOHEM-GXTWGEPZSA-N 1 0 256.353 2.506 50 0 CFAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000000757779 279570473 /nfs/dbraw/zinc/57/04/73/279570473.db2.gz AGBGGHRFDZPEFJ-GXTWGEPZSA-N 1 0 268.401 2.776 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(C)=O)CC2)C1(CC)CC ZINC000096454020 279932853 /nfs/dbraw/zinc/93/28/53/279932853.db2.gz QAAGIYFINBAVPQ-HOTGVXAUSA-N 1 0 296.455 2.571 50 0 CFAARO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000095983703 280370070 /nfs/dbraw/zinc/37/00/70/280370070.db2.gz IWGLJBJSJNEISR-NEPJUHHUSA-N 1 0 294.361 2.812 50 0 CFAARO CCCc1csc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000252714464 281077112 /nfs/dbraw/zinc/07/71/12/281077112.db2.gz SAWBXOOBAGSBFA-RYUDHWBXSA-N 1 0 252.383 2.631 50 0 CFAARO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237619408 281081086 /nfs/dbraw/zinc/08/10/86/281081086.db2.gz RCDHHKUCHOHCOW-HZSPNIEDSA-N 1 0 288.391 2.626 50 0 CFAARO Cc1cccc(/C=C\C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000255553847 281101462 /nfs/dbraw/zinc/10/14/62/281101462.db2.gz AZQDOYMMIVLFEW-SVUXDUJVSA-N 1 0 272.392 2.594 50 0 CFAARO Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1C ZINC000063192678 281189908 /nfs/dbraw/zinc/18/99/08/281189908.db2.gz JZSWDWIRWOPOFE-DZGCQCFKSA-N 1 0 260.381 2.645 50 0 CFAARO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000527667653 281338905 /nfs/dbraw/zinc/33/89/05/281338905.db2.gz YGMJCPKPGBCXNN-GHMZBOCLSA-N 1 0 276.371 2.692 50 0 CFAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNc2ccncn2)C1 ZINC000091745995 281366202 /nfs/dbraw/zinc/36/62/02/281366202.db2.gz IIBFEKKRCMHWKH-OAHLLOKOSA-N 1 0 282.391 2.686 50 0 CFAARO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000556173292 281928319 /nfs/dbraw/zinc/92/83/19/281928319.db2.gz HHWABJJYNHKVSV-SWLSCSKDSA-N 1 0 291.420 2.575 50 0 CFAARO C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000225468993 290171766 /nfs/dbraw/zinc/17/17/66/290171766.db2.gz IJBQZKABNJKJFI-YCPHGPKFSA-N 1 0 296.455 2.700 50 0 CFAARO CN1C[C@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CCC1=O ZINC000095968244 290310146 /nfs/dbraw/zinc/31/01/46/290310146.db2.gz CVSXWBFDWFDPHF-YPMHNXCESA-N 1 0 276.380 2.504 50 0 CFAARO Cc1n[nH]c(C)c1CNCCC[N@@H+](C)C1CCCCC1 ZINC000037901174 293099102 /nfs/dbraw/zinc/09/91/02/293099102.db2.gz NTFJAMQXKRZMOZ-UHFFFAOYSA-N 1 0 278.444 2.771 50 0 CFAARO Cc1nc2ccccc2nc1N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070178613 293483183 /nfs/dbraw/zinc/48/31/83/293483183.db2.gz YYVWQRVXWOEFGD-NHYWBVRUSA-N 1 0 270.380 2.502 50 0 CFAARO COc1ccc([C@H]2C[C@@H](C)C[N@H+]2CC(OC)OC)cc1 ZINC000225450561 295250294 /nfs/dbraw/zinc/25/02/94/295250294.db2.gz ORUILKNKMRCGHV-IUODEOHRSA-N 1 0 279.380 2.697 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2ccncc2)cc1 ZINC000426578578 295265572 /nfs/dbraw/zinc/26/55/72/295265572.db2.gz KPMBSVUWSZDIPG-QGZVFWFLSA-N 1 0 295.386 2.702 50 0 CFAARO Cc1ccccc1-n1nnnc1C1([NH2+]C(C)C)CCCC1 ZINC000035622432 302076072 /nfs/dbraw/zinc/07/60/72/302076072.db2.gz LSHGKZBQBMHQPV-UHFFFAOYSA-N 1 0 285.395 2.738 50 0 CFAARO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000097370990 304831400 /nfs/dbraw/zinc/83/14/00/304831400.db2.gz YVIHVRGHTQYCSH-LNSITVRQSA-N 1 0 277.339 2.566 50 0 CFAARO O=C(NCC1CC[NH+](Cc2ccoc2)CC1)c1ccco1 ZINC000828188922 782082223 /nfs/dbraw/zinc/08/22/23/782082223.db2.gz MXUITFHOXYRYDY-UHFFFAOYSA-N 1 0 288.347 2.515 50 0 CFAARO Cc1cc(C(F)(F)F)cc(N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])n1 ZINC000534578880 328311099 /nfs/dbraw/zinc/31/10/99/328311099.db2.gz CJMLEISSHGEYEI-DDFAGTSDSA-N 1 0 285.313 2.582 50 0 CFAARO Cn1nc(C[NH2+][C@H]2CCSC2)c2c1cccc2Cl ZINC000534590918 328318147 /nfs/dbraw/zinc/31/81/47/328318147.db2.gz LSTGBRNWXTYRPP-VIFPVBQESA-N 1 0 281.812 2.822 50 0 CFAARO CCc1ccccc1C(=O)NC1(C[NH+](CC)CC)CC1 ZINC000534643515 328329440 /nfs/dbraw/zinc/32/94/40/328329440.db2.gz KUMDAKKAPNQDGE-UHFFFAOYSA-N 1 0 274.408 2.853 50 0 CFAARO Cc1cc(C)cc(N2CCC([NH2+]CCc3ncc[nH]3)CC2)c1 ZINC000534636998 328333977 /nfs/dbraw/zinc/33/39/77/328333977.db2.gz OEPKFLPKQWLVRY-UHFFFAOYSA-N 1 0 298.434 2.828 50 0 CFAARO Cc1ccc(-c2cc(C[NH2+][C@@H]3CCCOC3)no2)cc1 ZINC000534662170 328350100 /nfs/dbraw/zinc/35/01/00/328350100.db2.gz KQOFYBBRTZTIIJ-CQSZACIVSA-N 1 0 272.348 2.919 50 0 CFAARO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(-c2ccc(F)cc2)c1 ZINC000534675306 328356084 /nfs/dbraw/zinc/35/60/84/328356084.db2.gz OXKNRRDCQCODQF-KRWDZBQOSA-N 1 0 298.361 2.975 50 0 CFAARO Cc1csc(=O)n1CC[NH2+][C@@H]1CCCCC1(C)C ZINC000097099882 323617851 /nfs/dbraw/zinc/61/78/51/323617851.db2.gz SJEBBOPZVFFSGE-GFCCVEGCSA-N 1 0 268.426 2.777 50 0 CFAARO O=C(CCc1c[nH]cn1)Nc1ccc2c(c1)C(=O)CCC2 ZINC000189224725 324026389 /nfs/dbraw/zinc/02/63/89/324026389.db2.gz GWTLWJRPSKCHGF-UHFFFAOYSA-N 1 0 283.331 2.500 50 0 CFAARO CCn1nccc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000195556572 324108601 /nfs/dbraw/zinc/10/86/01/324108601.db2.gz KLUDXEWFBOVWJA-UHFFFAOYSA-N 1 0 293.802 2.590 50 0 CFAARO CC(C)n1cc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)cn1 ZINC000195572406 324109725 /nfs/dbraw/zinc/10/97/25/324109725.db2.gz OFJNDTVSIHHJKK-INIZCTEOSA-N 1 0 279.428 2.885 50 0 CFAARO CSc1ccc(/C=C2\[C@H](O)C3CC[NH+]2CC3)cc1 ZINC000016447490 326850528 /nfs/dbraw/zinc/85/05/28/326850528.db2.gz IKWSMIGWZGHVKY-YVGNARHYSA-N 1 0 261.390 2.836 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000096447530 534199147 /nfs/dbraw/zinc/19/91/47/534199147.db2.gz LGTBDOURKJSQFQ-WMLDXEAASA-N 1 0 284.359 2.715 50 0 CFAARO CC[NH2+]Cc1cc(-c2cccc(Br)c2)n[nH]1 ZINC000050479008 519985018 /nfs/dbraw/zinc/98/50/18/519985018.db2.gz UBGTYUDQXWSFNF-UHFFFAOYSA-N 1 0 280.169 2.949 50 0 CFAARO Cc1nc2c(cnn2C)c(-c2ccc([C@@H](C)[NH+](C)C)cc2)n1 ZINC000426533930 534630378 /nfs/dbraw/zinc/63/03/78/534630378.db2.gz DOMCYKMTYBCTHJ-LLVKDONJSA-N 1 0 295.390 2.961 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCN2CCc3ccccc32)n1 ZINC000067872550 524533842 /nfs/dbraw/zinc/53/38/42/524533842.db2.gz YVYYDQNCMFBNCA-HNNXBMFYSA-N 1 0 298.434 2.541 50 0 CFAARO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)nc1 ZINC000239761755 524685168 /nfs/dbraw/zinc/68/51/68/524685168.db2.gz CKKCVODFYGOXNA-JSGCOSHPSA-N 1 0 279.815 2.794 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCCCO2)on1 ZINC000336397964 525493951 /nfs/dbraw/zinc/49/39/51/525493951.db2.gz BBVHRFHTVFUUIU-OLZOCXBDSA-N 1 0 250.342 2.689 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)cc1F ZINC000156241052 526250375 /nfs/dbraw/zinc/25/03/75/526250375.db2.gz HEOOCKGNQHMBRO-MNOVXSKESA-N 1 0 298.789 2.987 50 0 CFAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000096486813 527364522 /nfs/dbraw/zinc/36/45/22/527364522.db2.gz VOGNNIWQYVLHLW-CYBMUJFWSA-N 1 0 255.308 2.700 50 0 CFAARO FC(F)(F)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1 ZINC000061626445 527682209 /nfs/dbraw/zinc/68/22/09/527682209.db2.gz WYXOOQXMYUPOME-UHFFFAOYSA-N 1 0 255.243 2.718 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CO)o1 ZINC000096455613 529209631 /nfs/dbraw/zinc/20/96/31/529209631.db2.gz VKHHLZHPLWBIOO-UONOGXRCSA-N 1 0 269.410 2.926 50 0 CFAARO COc1ccc(-c2cnn(C)c2C[NH3+])cc1C(F)(F)F ZINC000935619432 649923190 /nfs/dbraw/zinc/92/31/90/649923190.db2.gz VXVDGURDJKKLBY-UHFFFAOYSA-N 1 0 285.269 2.573 50 0 CFAARO CC(C)c1ccc(C[NH2+]CCN2CCC[C@H](CO)C2)cc1 ZINC000952976953 614310425 /nfs/dbraw/zinc/31/04/25/614310425.db2.gz YTCPPJURIXWOFE-KRWDZBQOSA-N 1 0 290.451 2.604 50 0 CFAARO COCC1(C[NH2+]Cc2cc(C(C)(C)C)n[nH]2)CCC1 ZINC000952962404 616774773 /nfs/dbraw/zinc/77/47/73/616774773.db2.gz BJHYIYLHOZLXLO-UHFFFAOYSA-N 1 0 265.401 2.614 50 0 CFAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1C ZINC000023114882 618117277 /nfs/dbraw/zinc/11/72/77/618117277.db2.gz ZYTIZXLDVRLEDJ-HNNXBMFYSA-N 1 0 263.381 2.741 50 0 CFAARO CCC1CCC([NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000023280932 618356860 /nfs/dbraw/zinc/35/68/60/618356860.db2.gz WYMVOPBKSKYGJU-UHFFFAOYSA-N 1 0 274.412 2.567 50 0 CFAARO CCCC(=O)c1cc(F)c(N2CC[NH2+]CC2)cc1C ZINC000004701839 619021619 /nfs/dbraw/zinc/02/16/19/619021619.db2.gz GOTDUHYEYODQFS-UHFFFAOYSA-N 1 0 264.344 2.527 50 0 CFAARO COc1ccc(/C=C(/C)C[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000097034971 620449569 /nfs/dbraw/zinc/44/95/69/620449569.db2.gz GOAQAOISMGPUOK-IVOILVROSA-N 1 0 298.390 2.815 50 0 CFAARO Cc1ccccc1C[C@@H]([NH2+]CCCO)c1ccco1 ZINC000820805743 622760354 /nfs/dbraw/zinc/76/03/54/622760354.db2.gz QUSQCCWCOCINIB-OAHLLOKOSA-N 1 0 259.349 2.844 50 0 CFAARO C(=C/c1ccco1)\C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000089857914 624532126 /nfs/dbraw/zinc/53/21/26/624532126.db2.gz BSUMRVOZSDYEGS-VFQAQYNWSA-N 1 0 255.317 2.886 50 0 CFAARO Cc1ccoc1C(=O)NC[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000952968261 626114731 /nfs/dbraw/zinc/11/47/31/626114731.db2.gz FLJMTHQNAJDQOX-CQSZACIVSA-N 1 0 299.374 2.629 50 0 CFAARO C[C@@](O)(C[NH2+]C1CC2(CCC2)C1)c1ccsc1 ZINC000772877730 627754265 /nfs/dbraw/zinc/75/42/65/627754265.db2.gz JMLNTCDQNNQBCD-CYBMUJFWSA-N 1 0 251.395 2.878 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCc2ncnn2C1 ZINC000863984700 637832830 /nfs/dbraw/zinc/83/28/30/637832830.db2.gz ZSPPFMUTXAQTBF-NFAWXSAZSA-N 1 0 274.412 2.708 50 0 CFAARO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1scnc1C ZINC000863983672 637833334 /nfs/dbraw/zinc/83/33/34/637833334.db2.gz LZCILZLPBUGRDT-AAEUAGOBSA-N 1 0 256.415 2.871 50 0 CFAARO Cc1cccc(N(C)C(=O)c2ncoc2C2CC[NH2+]CC2)c1 ZINC000864235303 637919084 /nfs/dbraw/zinc/91/90/84/637919084.db2.gz QDDBJVFFUURKGZ-UHFFFAOYSA-N 1 0 299.374 2.727 50 0 CFAARO OC[C@@H]1CCC[N@H+](CCCNc2nccc3ccccc32)C1 ZINC000952969155 650790030 /nfs/dbraw/zinc/79/00/30/650790030.db2.gz MKFUWIKLVIHJIS-OAHLLOKOSA-N 1 0 299.418 2.741 50 0 CFAARO Cc1cccc([C@H](C(=O)NCCCn2cccc2)N(C)C)c1 ZINC000952987128 650791736 /nfs/dbraw/zinc/79/17/36/650791736.db2.gz JMZHKZHSBHJQMV-QGZVFWFLSA-N 1 0 299.418 2.606 50 0 CFAARO Fc1cnc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCCC2)cn1 ZINC000952992503 650791860 /nfs/dbraw/zinc/79/18/60/650791860.db2.gz GONSAQASKONWAB-STQMWFEESA-N 1 0 278.375 2.682 50 0 CFAARO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000887268676 647255769 /nfs/dbraw/zinc/25/57/69/647255769.db2.gz RJMTUFHKGKGAFG-VVLHAWIVSA-N 1 0 290.451 2.898 50 0 CFAARO CC(=O)N1CCC(CNc2cc[nH+]c3ccccc23)CC1 ZINC000110542801 647822833 /nfs/dbraw/zinc/82/28/33/647822833.db2.gz XVGSBMPPLKMDHT-UHFFFAOYSA-N 1 0 283.375 2.905 50 0 CFAARO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000113450826 647825312 /nfs/dbraw/zinc/82/53/12/647825312.db2.gz UGLIYHPFGZPSHF-CQSZACIVSA-N 1 0 286.419 2.589 50 0 CFAARO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(-c2cc[nH]n2)cc1 ZINC000020233961 651297022 /nfs/dbraw/zinc/29/70/22/651297022.db2.gz NKLHPGIPQHTSML-UHFFFAOYSA-N 1 0 295.390 2.751 50 0 CFAARO Cc1nccn1CC[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000821181570 781877837 /nfs/dbraw/zinc/87/78/37/781877837.db2.gz ADODUGJDJPMHIF-ZDUSSCGKSA-N 1 0 272.396 2.772 50 0 CFAARO OCC[NH2+]CCCCCCOc1cccc(Cl)c1 ZINC000002902480 770967381 /nfs/dbraw/zinc/96/73/81/770967381.db2.gz ZVPICYZCOBRHMY-UHFFFAOYSA-N 1 0 271.788 2.861 50 0 CFAARO Cc1ccc(OCCOCC[NH+]2CCCC2)cc1C ZINC000023549740 775475890 /nfs/dbraw/zinc/47/58/90/775475890.db2.gz YGDYZVLEYOCNPJ-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO Cn1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c2c1CCOC2 ZINC000675010832 775982321 /nfs/dbraw/zinc/98/23/21/775982321.db2.gz JTRKNWCKXUYGIF-KRWDZBQOSA-N 1 0 297.402 2.830 50 0 CFAARO Cc1nc(CCC2CC[NH+](C3CCCC3)CC2)no1 ZINC000675019280 775983538 /nfs/dbraw/zinc/98/35/38/775983538.db2.gz LLSGXEPHYKZHEG-UHFFFAOYSA-N 1 0 263.385 2.965 50 0 CFAARO Cc1nc(CCC2CC[NH+](Cc3ccccn3)CC2)no1 ZINC000675020040 775984669 /nfs/dbraw/zinc/98/46/69/775984669.db2.gz VKLUTUYHYZMZSV-UHFFFAOYSA-N 1 0 286.379 2.618 50 0 CFAARO C[C@H](c1ccc(-c2ccnc(CO)c2)cc1)[NH+](C)C ZINC000426724068 777027681 /nfs/dbraw/zinc/02/76/81/777027681.db2.gz YQUVUFSQGZEOHO-GFCCVEGCSA-N 1 0 256.349 2.864 50 0 CFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cncn1C1CC1 ZINC000299779528 778224568 /nfs/dbraw/zinc/22/45/68/778224568.db2.gz AAPBUYYUXLNHOD-UHFFFAOYSA-N 1 0 287.411 2.623 50 0 CFAARO CC(C)n1nc(-c2ccccc2)nc1C1CC[NH2+]CC1 ZINC000822288450 781897141 /nfs/dbraw/zinc/89/71/41/781897141.db2.gz CUZQMPRHCHXTKQ-UHFFFAOYSA-N 1 0 270.380 2.993 50 0 CFAARO CC[C@@H](C(=O)NCCc1ccccc1Cl)[N@H+](C)CC ZINC000822555060 781903735 /nfs/dbraw/zinc/90/37/35/781903735.db2.gz AYOQIGLSDONSQT-AWEZNQCLSA-N 1 0 282.815 2.729 50 0 CFAARO CC[C@@H](Cc1ccco1)[NH2+]CCn1cnc(C)c1C ZINC000822620677 781908227 /nfs/dbraw/zinc/90/82/27/781908227.db2.gz UEYJYIGXKITOCS-AWEZNQCLSA-N 1 0 261.369 2.704 50 0 CFAARO c1coc(CCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000082121850 177922495 /nfs/dbraw/zinc/92/24/95/177922495.db2.gz VJCQNSOSWGDAOW-CQSZACIVSA-N 1 0 279.380 2.530 50 0 CFAARO C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CCOC1 ZINC000096490323 230382320 /nfs/dbraw/zinc/38/23/20/230382320.db2.gz GFICTCPNTRZPLL-ZYHUDNBSSA-N 1 0 284.197 2.759 50 0 CFAARO C[C@H](C[N@@H+]1CCOC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000170603051 230395487 /nfs/dbraw/zinc/39/54/87/230395487.db2.gz VAZCGGGCHQUDAI-CQSZACIVSA-N 1 0 293.382 2.811 50 0 CFAARO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)C1 ZINC000095932275 185032952 /nfs/dbraw/zinc/03/29/52/185032952.db2.gz WWXHATMUSYQHED-CALCHBBNSA-N 1 0 293.366 2.930 50 0 CFAARO O=C(OCc1ccccc1)N1CCC2(CCC[NH2+]2)CC1 ZINC000095936786 185034613 /nfs/dbraw/zinc/03/46/13/185034613.db2.gz XAEFKYQUBLXRKM-UHFFFAOYSA-N 1 0 274.364 2.541 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cn[nH]c2)c(Cl)c1 ZINC000095941509 185036269 /nfs/dbraw/zinc/03/62/69/185036269.db2.gz VTVFGHDOLTVBFZ-JTQLQIEISA-N 1 0 292.770 2.661 50 0 CFAARO C[C@@H](C[NH+](C1CCCC1)C1CCCC1)CS(C)(=O)=O ZINC000095965195 185045277 /nfs/dbraw/zinc/04/52/77/185045277.db2.gz QJDJEHIWFBAHJF-ZDUSSCGKSA-N 1 0 287.469 2.854 50 0 CFAARO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc2ccccc2o1 ZINC000095968894 185047895 /nfs/dbraw/zinc/04/78/95/185047895.db2.gz PICXNDSKXGUIJX-ABAIWWIYSA-N 1 0 277.389 2.951 50 0 CFAARO C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000095968671 185048021 /nfs/dbraw/zinc/04/80/21/185048021.db2.gz ZYQHZJVPPXAIAO-IUCAKERBSA-N 1 0 263.259 2.617 50 0 CFAARO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2CCOC2)cc1F ZINC000095969054 185048086 /nfs/dbraw/zinc/04/80/86/185048086.db2.gz GANPCTVYBJTDBX-FZMZJTMJSA-N 1 0 289.354 2.759 50 0 CFAARO CCC1CCC(N(C(=O)CCC[NH3+])C2CC2)CC1 ZINC000095971050 185048419 /nfs/dbraw/zinc/04/84/19/185048419.db2.gz HSOWXOUITJPKFW-UHFFFAOYSA-N 1 0 252.402 2.685 50 0 CFAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1ccccn1 ZINC000095978197 185051982 /nfs/dbraw/zinc/05/19/82/185051982.db2.gz MCZXZEQNCQMISU-WBMJQRKESA-N 1 0 274.339 2.823 50 0 CFAARO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000095978827 185052565 /nfs/dbraw/zinc/05/25/65/185052565.db2.gz VTIIUUBKLZEWLN-HZPDHXFCSA-N 1 0 277.408 2.572 50 0 CFAARO C[N@H+](CCCn1ccnc1)Cc1ccc2ccccc2n1 ZINC000095984094 185055021 /nfs/dbraw/zinc/05/50/21/185055021.db2.gz FURSUJHOTOWLAN-UHFFFAOYSA-N 1 0 280.375 2.953 50 0 CFAARO COc1ccc([C@H]2CC[N@H+](CCCn3ccnc3)C2)cc1 ZINC000095987222 185055802 /nfs/dbraw/zinc/05/58/02/185055802.db2.gz ARXQZBHUOVMGBM-INIZCTEOSA-N 1 0 285.391 2.771 50 0 CFAARO CC[C@@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000095985993 185056617 /nfs/dbraw/zinc/05/66/17/185056617.db2.gz MNMZQQZXIXCAMP-XJKSGUPXSA-N 1 0 262.397 2.708 50 0 CFAARO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3ncnc32)C1(C)C ZINC000095987996 185056947 /nfs/dbraw/zinc/05/69/47/185056947.db2.gz KUPGEIJYBZNBGD-MGPQQGTHSA-N 1 0 292.427 2.686 50 0 CFAARO COc1ccccc1Cc1cnc([C@@H]2CCC[NH2+]C2)o1 ZINC000096032176 185067691 /nfs/dbraw/zinc/06/76/91/185067691.db2.gz XWCXBBZZYZAGBY-CYBMUJFWSA-N 1 0 272.348 2.741 50 0 CFAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC000065288701 282113796 /nfs/dbraw/zinc/11/37/96/282113796.db2.gz VZGZZABEDBKDHY-AWEZNQCLSA-N 1 0 252.402 2.509 50 0 CFAARO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc2c(c1)nc(C)n2C ZINC000823074724 781919721 /nfs/dbraw/zinc/91/97/21/781919721.db2.gz IPZDYAOFNSHGNK-CYBMUJFWSA-N 1 0 288.439 2.702 50 0 CFAARO C[N@H+](CCCNC(=O)/C=C\c1ccco1)Cc1ccccc1 ZINC000096943912 185133679 /nfs/dbraw/zinc/13/36/79/185133679.db2.gz NIXJNYDXBLYEKD-KHPPLWFESA-N 1 0 298.386 2.931 50 0 CFAARO O=C(CCc1ccsc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000097019655 185152827 /nfs/dbraw/zinc/15/28/27/185152827.db2.gz WQDUPSFFAZQXDS-UHFFFAOYSA-N 1 0 286.400 2.965 50 0 CFAARO Cc1c(C[NH2+][C@@H](C)[C@H](C)Oc2ccccc2F)cnn1C ZINC000097021690 185153450 /nfs/dbraw/zinc/15/34/50/185153450.db2.gz UCHVMQJJVVYOMW-AAEUAGOBSA-N 1 0 291.370 2.813 50 0 CFAARO Cc1cccc([C@H](C)[NH2+]CC(=O)NCc2cccnc2)c1C ZINC000097033506 185155797 /nfs/dbraw/zinc/15/57/97/185155797.db2.gz LULNIVMYIGPBIX-HNNXBMFYSA-N 1 0 297.402 2.665 50 0 CFAARO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@](C)(CO)C2)cc1 ZINC000097033943 185156048 /nfs/dbraw/zinc/15/60/48/185156048.db2.gz UOCHPJGVVNYLQU-RHSMWYFYSA-N 1 0 277.408 2.893 50 0 CFAARO COCCc1ccc(OC(=O)c2ccn3c[nH+]cc3c2)cc1 ZINC000097034276 185157281 /nfs/dbraw/zinc/15/72/81/185157281.db2.gz OFXSUPJHLODCHV-UHFFFAOYSA-N 1 0 296.326 2.742 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCCC[C@@H]1CO ZINC000097035006 185157422 /nfs/dbraw/zinc/15/74/22/185157422.db2.gz VRUZTRZLRRUFQU-CZUORRHYSA-N 1 0 293.455 2.576 50 0 CFAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000096455601 529449179 /nfs/dbraw/zinc/44/91/79/529449179.db2.gz URVHQZPJVOGIPC-IUUKEHGRSA-N 1 0 286.466 2.621 50 0 CFAARO Cc1nn(C)c(C)c1CC[NH2+]Cc1cccc(C)c1C ZINC000126238663 187226743 /nfs/dbraw/zinc/22/67/43/187226743.db2.gz KMRQOHAIJRUEFP-UHFFFAOYSA-N 1 0 271.408 2.986 50 0 CFAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@@H]1CCCO1 ZINC000075093163 347054070 /nfs/dbraw/zinc/05/40/70/347054070.db2.gz YTXKYKPTAMTDPF-WFASDCNBSA-N 1 0 271.364 2.734 50 0 CFAARO CSC[C@@](C)(O)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000097084831 185525953 /nfs/dbraw/zinc/52/59/53/185525953.db2.gz CPOHOLJBLVPSTB-ZALBZXLWSA-N 1 0 283.412 2.775 50 0 CFAARO Cc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c(F)c1 ZINC000097228985 185567696 /nfs/dbraw/zinc/56/76/96/185567696.db2.gz OGSSXSNPIYPUDW-CQSZACIVSA-N 1 0 266.360 2.580 50 0 CFAARO O=C(Nc1c[nH+]ccc1N1CCCCC1)c1ccccn1 ZINC000079041151 136509776 /nfs/dbraw/zinc/50/97/76/136509776.db2.gz QZYYMELGVBZJGA-UHFFFAOYSA-N 1 0 282.347 2.719 50 0 CFAARO Cc1ccc2cc(C[NH2+]C3CC3)c(N(C)C)nc2c1 ZINC000006034472 346213656 /nfs/dbraw/zinc/21/36/56/346213656.db2.gz OIDBXLQCAXRWGU-UHFFFAOYSA-N 1 0 255.365 2.861 50 0 CFAARO CC[NH2+][C@@](C)(CO)Cc1ccc(Cl)c(Cl)c1 ZINC000034196734 346314937 /nfs/dbraw/zinc/31/49/37/346314937.db2.gz ALFKVDDNYUNAFZ-GFCCVEGCSA-N 1 0 262.180 2.896 50 0 CFAARO CCOP(=O)(OCC)[C@H]([NH3+])Cc1ccccc1 ZINC000036450193 346322591 /nfs/dbraw/zinc/32/25/91/346322591.db2.gz VYXXYWKRQYDPLZ-LBPRGKRZSA-N 1 0 257.270 2.780 50 0 CFAARO CCOP(=O)(OCC)[C@@H]([NH3+])Cc1ccccc1 ZINC000036450194 346323057 /nfs/dbraw/zinc/32/30/57/346323057.db2.gz VYXXYWKRQYDPLZ-GFCCVEGCSA-N 1 0 257.270 2.780 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000038096389 346337046 /nfs/dbraw/zinc/33/70/46/346337046.db2.gz HGQLNBKDPOSLKX-ZDUSSCGKSA-N 1 0 275.352 2.637 50 0 CFAARO C[NH+](C)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000169725723 136556892 /nfs/dbraw/zinc/55/68/92/136556892.db2.gz WDUUMAOEIXLASH-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO Cc1ccccc1OCCCN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000064570753 346723789 /nfs/dbraw/zinc/72/37/89/346723789.db2.gz OWBFLXWLIIGYTJ-KRWDZBQOSA-N 1 0 288.435 2.934 50 0 CFAARO CC(C)(C)OC[C@H](O)C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000062367339 346688121 /nfs/dbraw/zinc/68/81/21/346688121.db2.gz RBEWWLMOEZDQGL-AKZYDZMLSA-N 1 0 281.440 2.673 50 0 CFAARO C[C@H](CNC(=O)c1cccnc1Cl)[NH+]1CCC(C)CC1 ZINC000067273443 346796913 /nfs/dbraw/zinc/79/69/13/346796913.db2.gz KWWCOIXDQIKOOO-GFCCVEGCSA-N 1 0 295.814 2.585 50 0 CFAARO Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000076083888 347119383 /nfs/dbraw/zinc/11/93/83/347119383.db2.gz IYCHRBVCXRFZCH-HUUCEWRRSA-N 1 0 274.408 2.603 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000076083875 347119680 /nfs/dbraw/zinc/11/96/80/347119680.db2.gz IYCHRBVCXRFZCH-GJZGRUSLSA-N 1 0 274.408 2.603 50 0 CFAARO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2ccsc2)cn1 ZINC000078880756 347278000 /nfs/dbraw/zinc/27/80/00/347278000.db2.gz PYDNCPZYPBYJJP-HIFRSBDPSA-N 1 0 291.420 2.832 50 0 CFAARO CS[C@H]1CC[C@@H]([N@H+](C)CCc2ccncc2)C1 ZINC000078947797 347281373 /nfs/dbraw/zinc/28/13/73/347281373.db2.gz AIACHDSZNWKNDB-KGLIPLIRSA-N 1 0 250.411 2.840 50 0 CFAARO O[C@@H](C[NH2+]Cc1cccc2[nH]ccc21)c1ccco1 ZINC000078975325 347283128 /nfs/dbraw/zinc/28/31/28/347283128.db2.gz FVOQOALNOTVMQQ-AWEZNQCLSA-N 1 0 256.305 2.584 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000084714656 347470361 /nfs/dbraw/zinc/47/03/61/347470361.db2.gz PMEDLDJLQKXDRO-WWGRRREGSA-N 1 0 260.381 2.594 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000084714905 347470571 /nfs/dbraw/zinc/47/05/71/347470571.db2.gz YZRWGPNTGMHPSC-GUYCJALGSA-N 1 0 297.402 2.581 50 0 CFAARO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000090909727 347561881 /nfs/dbraw/zinc/56/18/81/347561881.db2.gz UACHWTINOAXDQS-HEHGZKQESA-N 1 0 263.381 2.641 50 0 CFAARO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1F ZINC000095457656 347698498 /nfs/dbraw/zinc/69/84/98/347698498.db2.gz KDWYFUNTXYPQJE-NXEZZACHSA-N 1 0 283.322 2.521 50 0 CFAARO CC(C)C(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@@H]1C ZINC000095882817 347698754 /nfs/dbraw/zinc/69/87/54/347698754.db2.gz PNEKCZNQOVAYFM-CJNGLKHVSA-N 1 0 261.365 2.805 50 0 CFAARO CCCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]1C ZINC000095882821 347699093 /nfs/dbraw/zinc/69/90/93/347699093.db2.gz AUMQUVNLMMEFEG-CZUORRHYSA-N 1 0 261.365 2.949 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCc2nnc(C)n2C1 ZINC000095950591 347699100 /nfs/dbraw/zinc/69/91/00/347699100.db2.gz MEINEUBKJGIFBQ-QXSWTLKVSA-N 1 0 296.418 2.842 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCc2nnc(C)n2C1 ZINC000095950592 347699141 /nfs/dbraw/zinc/69/91/41/347699141.db2.gz MEINEUBKJGIFBQ-OOXMNIKJSA-N 1 0 296.418 2.842 50 0 CFAARO Fc1cccnc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000095988118 347699621 /nfs/dbraw/zinc/69/96/21/347699621.db2.gz VJWYNZFPNXIYQE-DFBGVHRSSA-N 1 0 276.355 2.658 50 0 CFAARO CCOC(=O)[C@@]1([NH+]2CCCCC2)CCC[C@H](C)C1 ZINC000096026498 347700238 /nfs/dbraw/zinc/70/02/38/347700238.db2.gz VEMHIJAWDWPELQ-DZGCQCFKSA-N 1 0 253.386 2.984 50 0 CFAARO Oc1ccc2c(c1)[C@]13CCCC[C@H]1CC[N@H+]3CCO2 ZINC000096027998 347700247 /nfs/dbraw/zinc/70/02/47/347700247.db2.gz QPFORCJJDFGHAV-LRDDRELGSA-N 1 0 259.349 2.876 50 0 CFAARO CCCC[NH2+]C[C@@H]1COc2c(C)ccc(C)c2C1=O ZINC000096026800 347700300 /nfs/dbraw/zinc/70/03/00/347700300.db2.gz BJAWQWUGJAJGHM-CYBMUJFWSA-N 1 0 261.365 2.884 50 0 CFAARO COC(=O)NCCCCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000096027361 347700316 /nfs/dbraw/zinc/70/03/16/347700316.db2.gz TYEXSNSCDAMGCR-STQMWFEESA-N 1 0 256.390 2.776 50 0 CFAARO COC(=O)CC[N@H+](C)[C@@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000096027322 347700352 /nfs/dbraw/zinc/70/03/52/347700352.db2.gz NSPIHLJDVJDQKM-CVEARBPZSA-N 1 0 291.391 2.872 50 0 CFAARO C[C@@H](C[NH2+][C@@H](C)c1cccs1)N1CCOC[C@H]1C ZINC000096477514 347702381 /nfs/dbraw/zinc/70/23/81/347702381.db2.gz XYDYLJZWLYICQG-XQQFMLRXSA-N 1 0 268.426 2.508 50 0 CFAARO O=C(NCC1CC1)C1([NH2+]Cc2ccsc2)CCCC1 ZINC000097102504 347707184 /nfs/dbraw/zinc/70/71/84/347707184.db2.gz IQQFEBFFBRRFIV-UHFFFAOYSA-N 1 0 278.421 2.677 50 0 CFAARO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+][C@H]2CCSC2)cc1F ZINC000110708312 347750174 /nfs/dbraw/zinc/75/01/74/347750174.db2.gz FGBOGUBBDCVFKJ-BPNCWPANSA-N 1 0 285.359 2.890 50 0 CFAARO COC[C@@](C)([NH2+]Cc1nc(C)ccc1O)c1ccccc1 ZINC000154693569 347981630 /nfs/dbraw/zinc/98/16/30/347981630.db2.gz BXFCDPDXYBBWJD-QGZVFWFLSA-N 1 0 286.375 2.747 50 0 CFAARO CCCNC(=O)C1([NH2+]Cc2ccc(O)cc2)CCCCC1 ZINC000170604391 348056107 /nfs/dbraw/zinc/05/61/07/348056107.db2.gz QIZPEEQDPLOICG-UHFFFAOYSA-N 1 0 290.407 2.711 50 0 CFAARO Cc1cccc(OC2CC[NH+]([C@H]3CCOC[C@@H]3C)CC2)n1 ZINC000170619063 348057807 /nfs/dbraw/zinc/05/78/07/348057807.db2.gz BYANPKNDSXQLAG-BBRMVZONSA-N 1 0 290.407 2.658 50 0 CFAARO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000170669126 348058671 /nfs/dbraw/zinc/05/86/71/348058671.db2.gz VKBMUELRTGUGJH-DLBZAZTESA-N 1 0 282.472 2.903 50 0 CFAARO C[C@@H]1CC[C@H](CSC2=[NH+][C@H]3CCCC[C@H]3N2)O1 ZINC000190633447 348136111 /nfs/dbraw/zinc/13/61/11/348136111.db2.gz SFBXYZDGFKPPBI-KKOKHZNYSA-N 1 0 254.399 2.558 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000195550773 348146118 /nfs/dbraw/zinc/14/61/18/348146118.db2.gz RTCUBHUNWOHCCM-NEPJUHHUSA-N 1 0 281.469 2.919 50 0 CFAARO c1ccc(-c2nnc(CC[NH2+][C@@H]3CCCSC3)o2)cc1 ZINC000195558698 348146194 /nfs/dbraw/zinc/14/61/94/348146194.db2.gz GKHHLOFLGDPRFI-CYBMUJFWSA-N 1 0 289.404 2.764 50 0 CFAARO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CCCc3ccc(F)cc32)C1 ZINC000195558604 348146282 /nfs/dbraw/zinc/14/62/82/348146282.db2.gz WRYDNVSOGLOMRL-PEYYIBSZSA-N 1 0 261.340 2.730 50 0 CFAARO Fc1ccc(N2CC[C@@H]([NH2+]C3CCC3)C2)c(F)c1 ZINC000195556427 348146352 /nfs/dbraw/zinc/14/63/52/348146352.db2.gz AECYFTQIDNASGK-GFCCVEGCSA-N 1 0 252.308 2.686 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccn2)[C@@H](C)C1 ZINC000195560730 348146874 /nfs/dbraw/zinc/14/68/74/348146874.db2.gz FELXRADSYQCAJC-AESZEHBQSA-N 1 0 276.424 2.647 50 0 CFAARO Cc1cc(C[NH2+][C@@H](C)CC(=O)N(C)C)ccc1Cl ZINC000195561801 348146879 /nfs/dbraw/zinc/14/68/79/348146879.db2.gz IADXSBVVVMTYKH-NSHDSACASA-N 1 0 268.788 2.605 50 0 CFAARO [NH3+][C@H](CC(=O)N1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000225575159 348178377 /nfs/dbraw/zinc/17/83/77/348178377.db2.gz KVNPBOJRHIVWSH-DLBZAZTESA-N 1 0 286.419 2.738 50 0 CFAARO C[C@@H](CCc1cccc(F)c1)[NH2+]Cc1nnc2ccccn21 ZINC000215643100 348162967 /nfs/dbraw/zinc/16/29/67/348162967.db2.gz JFPBGSKDZKDDLP-ZDUSSCGKSA-N 1 0 298.365 2.979 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCSC1)[C@H](O)c1ccc(F)c(F)c1 ZINC000221364880 348171345 /nfs/dbraw/zinc/17/13/45/348171345.db2.gz SDBPWLJDPKPMAT-PXWWUCIGSA-N 1 0 287.375 2.872 50 0 CFAARO CC[NH2+]Cc1cc(-c2ccc(Cl)c(F)c2)n[nH]1 ZINC000725264665 539621691 /nfs/dbraw/zinc/62/16/91/539621691.db2.gz DRMKVSDVZSZNGY-UHFFFAOYSA-N 1 0 253.708 2.979 50 0 CFAARO CC1(C)C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2C1 ZINC000536948734 348650925 /nfs/dbraw/zinc/65/09/25/348650925.db2.gz LVHFLOHYCJWELB-UHFFFAOYSA-N 1 0 259.328 2.683 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(C3CC3)n[nH]1)CC2 ZINC000584890445 348727855 /nfs/dbraw/zinc/72/78/55/348727855.db2.gz ZQDKVSKMTQKTKO-OAHLLOKOSA-N 1 0 297.402 2.943 50 0 CFAARO Fc1cccc(-n2cc(C[NH2+][C@@H]3CCCSC3)cn2)c1 ZINC000584895471 348730474 /nfs/dbraw/zinc/73/04/74/348730474.db2.gz SXIREVOXQLJFKQ-CQSZACIVSA-N 1 0 291.395 2.997 50 0 CFAARO Cc1cccc(N2CCC([NH2+][C@H]3CCCN(C)C3)CC2)c1 ZINC000584896000 348731128 /nfs/dbraw/zinc/73/11/28/348731128.db2.gz HZQGHFNMCCVSRX-KRWDZBQOSA-N 1 0 287.451 2.648 50 0 CFAARO CC[C@H](NC(=O)CCC[NH+]1CCCC1)c1ccncc1 ZINC000584899793 348732104 /nfs/dbraw/zinc/73/21/04/348732104.db2.gz FZFDLLHPDAJULF-HNNXBMFYSA-N 1 0 275.396 2.525 50 0 CFAARO Cc1[nH]ccc1C(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000584901165 348732957 /nfs/dbraw/zinc/73/29/57/348732957.db2.gz OIEYCZTYLGHUBN-UHFFFAOYSA-N 1 0 289.423 2.804 50 0 CFAARO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000585141172 348737336 /nfs/dbraw/zinc/73/73/36/348737336.db2.gz QQGOSDIVRMIIEX-OLZOCXBDSA-N 1 0 295.452 2.660 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1nc(C)no1 ZINC000089517982 179808179 /nfs/dbraw/zinc/80/81/79/179808179.db2.gz FQWSZDZUFUIBOA-HNNXBMFYSA-N 1 0 287.363 2.596 50 0 CFAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000089948749 179890587 /nfs/dbraw/zinc/89/05/87/179890587.db2.gz IHOYJRGTARHQPB-CVRCPQJVSA-N 1 0 286.419 2.936 50 0 CFAARO COC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2)CCOCC1 ZINC000090651431 180018181 /nfs/dbraw/zinc/01/81/81/180018181.db2.gz QWWOWZYQSAUILZ-ZDUSSCGKSA-N 1 0 281.371 2.542 50 0 CFAARO CCSc1ccccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135474 180104606 /nfs/dbraw/zinc/10/46/06/180104606.db2.gz RYCOGBQLRKFOQJ-LLVKDONJSA-N 1 0 296.461 2.832 50 0 CFAARO Cc1ncnc(NCC[N@@H+]2CC[C@H](c3ccccc3)C2)c1C ZINC000091587012 180200762 /nfs/dbraw/zinc/20/07/62/180200762.db2.gz ASQSCOJTYGRRNG-KRWDZBQOSA-N 1 0 296.418 2.995 50 0 CFAARO COc1cc(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)ccc1F ZINC000091636959 180210874 /nfs/dbraw/zinc/21/08/74/180210874.db2.gz CBAGQXYCKPIGAN-PXAZEXFGSA-N 1 0 293.382 2.817 50 0 CFAARO CCc1ccccc1NC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091650981 180217366 /nfs/dbraw/zinc/21/73/66/180217366.db2.gz CJCZUMLCRXTWOM-DZGCQCFKSA-N 1 0 287.407 2.807 50 0 CFAARO COCC[C@]1(CO)CCC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000091651513 180217396 /nfs/dbraw/zinc/21/73/96/180217396.db2.gz VEVFHUPYDPPZLX-QGZVFWFLSA-N 1 0 295.398 2.745 50 0 CFAARO CC[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(C)ccc1OC ZINC000091732707 180242789 /nfs/dbraw/zinc/24/27/89/180242789.db2.gz RTDWOXXQYJHYLS-GOEBONIOSA-N 1 0 295.448 2.912 50 0 CFAARO CCC[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000091858204 180274400 /nfs/dbraw/zinc/27/44/00/180274400.db2.gz GTQFEYXZRRKWEL-AAEUAGOBSA-N 1 0 266.772 2.539 50 0 CFAARO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)cc2)C1 ZINC000091846081 180270577 /nfs/dbraw/zinc/27/05/77/180270577.db2.gz WMHPUFNAXXBSEO-INIZCTEOSA-N 1 0 263.381 2.680 50 0 CFAARO [NH3+]CCc1cccc(C[C@@H]2COc3ccccc3C2)c1 ZINC000091998047 180303176 /nfs/dbraw/zinc/30/31/76/180303176.db2.gz DAJCOXKSZHFHIR-INIZCTEOSA-N 1 0 267.372 2.982 50 0 CFAARO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccsc2)CCN1 ZINC000092076205 180317764 /nfs/dbraw/zinc/31/77/64/180317764.db2.gz FXTWCIPKXJPBGJ-OAHLLOKOSA-N 1 0 286.400 2.811 50 0 CFAARO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000092195371 180341145 /nfs/dbraw/zinc/34/11/45/180341145.db2.gz POOWIHJNMVMCGY-AAEUAGOBSA-N 1 0 288.322 2.711 50 0 CFAARO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000106547300 186126011 /nfs/dbraw/zinc/12/60/11/186126011.db2.gz UFVHRDPNNDCPFW-BMFZPTHFSA-N 1 0 272.392 2.725 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccco1 ZINC000106620258 186129246 /nfs/dbraw/zinc/12/92/46/186129246.db2.gz DOENIXQLBWKQEH-OLZOCXBDSA-N 1 0 264.369 2.721 50 0 CFAARO C[N@@H+](Cc1ccccc1-n1cccn1)C[C@H]1CCCCO1 ZINC000092427318 180383752 /nfs/dbraw/zinc/38/37/52/180383752.db2.gz MMOKEIGSSQLSHZ-MRXNPFEDSA-N 1 0 285.391 2.873 50 0 CFAARO Cc1ccc(-c2ncc(CN3CC[NH2+][C@@H](C)C3)s2)cc1 ZINC000092455201 180389019 /nfs/dbraw/zinc/38/90/19/180389019.db2.gz ZEMIKTNAVWLYTN-ZDUSSCGKSA-N 1 0 287.432 2.912 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000092510808 180398996 /nfs/dbraw/zinc/39/89/96/180398996.db2.gz NAFORWHDHGBEMC-ZDUSSCGKSA-N 1 0 266.410 2.581 50 0 CFAARO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cc1cccc(Cl)c1 ZINC000122734191 187048299 /nfs/dbraw/zinc/04/82/99/187048299.db2.gz ASPIMCJKDAWAFW-AWEZNQCLSA-N 1 0 282.815 2.714 50 0 CFAARO CN(C)c1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000155649536 188219294 /nfs/dbraw/zinc/21/92/94/188219294.db2.gz YJUFPDXLMPOOOH-UHFFFAOYSA-N 1 0 290.407 2.528 50 0 CFAARO C[NH2+]CC1CCN(C(=O)c2cccc(F)c2Cl)CC1 ZINC000156482228 188265294 /nfs/dbraw/zinc/26/52/94/188265294.db2.gz ROCBWRNXWQMVFK-UHFFFAOYSA-N 1 0 284.762 2.551 50 0 CFAARO C/C(=C/C(=O)N1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000158161057 188360769 /nfs/dbraw/zinc/36/07/69/188360769.db2.gz VECDLLZOBUNTLC-MSKHEQNASA-N 1 0 278.783 2.693 50 0 CFAARO O=C(Nc1cccc(O)c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000158668257 188388328 /nfs/dbraw/zinc/38/83/28/188388328.db2.gz MQSOYOXBDHYCRD-ZDUSSCGKSA-N 1 0 288.391 2.985 50 0 CFAARO CC1(C)CC[C@H]([N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)C1 ZINC000685939789 540020973 /nfs/dbraw/zinc/02/09/73/540020973.db2.gz JNWUIPRLSBWYKX-KGLIPLIRSA-N 1 0 264.413 2.556 50 0 CFAARO C[C@@H]([NH3+])[C@@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000166131842 188635537 /nfs/dbraw/zinc/63/55/37/188635537.db2.gz ATNVSPSPUIUUPC-IUODEOHRSA-N 1 0 255.317 2.932 50 0 CFAARO C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000170056685 188668039 /nfs/dbraw/zinc/66/80/39/188668039.db2.gz JRAGWQOQDZMXOD-GUYCJALGSA-N 1 0 282.387 2.812 50 0 CFAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccc(C)o2)cn1 ZINC000083843507 540185231 /nfs/dbraw/zinc/18/52/31/540185231.db2.gz GSMVLGIVWVHHSG-CZUORRHYSA-N 1 0 289.379 2.672 50 0 CFAARO CCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)C(C)C ZINC000036097228 283295121 /nfs/dbraw/zinc/29/51/21/283295121.db2.gz YHBCEXKVIIQXHW-OAHLLOKOSA-N 1 0 295.423 2.933 50 0 CFAARO NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000097084834 283323980 /nfs/dbraw/zinc/32/39/80/283323980.db2.gz QAIHLFLTTUAXGV-ZHGJTGPASA-N 1 0 290.382 2.705 50 0 CFAARO NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000097084833 283353785 /nfs/dbraw/zinc/35/37/85/283353785.db2.gz QAIHLFLTTUAXGV-JMVNKWJPSA-N 1 0 290.382 2.705 50 0 CFAARO CN(Cc1ccncc1Cl)C[C@@]1(C)CC[N@H+](C)C1 ZINC000823683732 781935719 /nfs/dbraw/zinc/93/57/19/781935719.db2.gz IZXZMJKSYWQPRB-AWEZNQCLSA-N 1 0 267.804 2.509 50 0 CFAARO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C2CCC2)C[C@H]1C ZINC000253618399 540561034 /nfs/dbraw/zinc/56/10/34/540561034.db2.gz YKLWOBFFFWQBEX-VNQPRFMTSA-N 1 0 293.455 2.833 50 0 CFAARO [NH3+]CC1CCN(C(=O)C2(c3ccc(Cl)cc3)CC2)CC1 ZINC000297340309 200154959 /nfs/dbraw/zinc/15/49/59/200154959.db2.gz YJVXXQWRAAYWOV-UHFFFAOYSA-N 1 0 292.810 2.569 50 0 CFAARO [NH3+]Cc1ccc(Br)c(F)c1Br ZINC000263623176 283528124 /nfs/dbraw/zinc/52/81/24/283528124.db2.gz FJUHKCCSFTUJRO-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2S1 ZINC000095422832 540724193 /nfs/dbraw/zinc/72/41/93/540724193.db2.gz JXDLMNARVYJALB-YRGRVCCFSA-N 1 0 290.432 2.822 50 0 CFAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000095990238 540725787 /nfs/dbraw/zinc/72/57/87/540725787.db2.gz YNFCDEDDAJWDDE-VJTDZRGJSA-N 1 0 267.438 2.818 50 0 CFAARO CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C[NH3+])o1 ZINC000095971683 540725946 /nfs/dbraw/zinc/72/59/46/540725946.db2.gz ZUWDEXKMLVLRLB-HNNXBMFYSA-N 1 0 284.359 2.888 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000178975399 189158969 /nfs/dbraw/zinc/15/89/69/189158969.db2.gz ZFJBDQVMXLJAKG-LSDHHAIUSA-N 1 0 274.408 2.557 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000299739552 200852123 /nfs/dbraw/zinc/85/21/23/200852123.db2.gz PYYNJPQRHOJFGU-NSHDSACASA-N 1 0 278.421 2.697 50 0 CFAARO c1c[nH]c([C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000670439683 540995025 /nfs/dbraw/zinc/99/50/25/540995025.db2.gz PIFLWDRUDVBTGW-OAHLLOKOSA-N 1 0 267.376 2.757 50 0 CFAARO CNC(=O)[C@@H]1CC[N@H+](C/C=C(\C)CCC=C(C)C)C1 ZINC000670438917 540995171 /nfs/dbraw/zinc/99/51/71/540995171.db2.gz YONMDWABNGJIMG-UJMHRVFCSA-N 1 0 264.413 2.747 50 0 CFAARO Cc1[nH]c2c(ccc(C)c2C)c1CC[NH2+][C@H](C)CO ZINC000670442143 540996352 /nfs/dbraw/zinc/99/63/52/540996352.db2.gz HDNJIBVNDADONW-LLVKDONJSA-N 1 0 260.381 2.606 50 0 CFAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc3cc[nH]c3n1)CC2 ZINC000670445501 540996729 /nfs/dbraw/zinc/99/67/29/540996729.db2.gz ORTVAELJBHBOKC-YOEHRIQHSA-N 1 0 285.391 2.690 50 0 CFAARO Cc1nnc(N(C)Cc2ccccc2C[NH+](C)C)s1 ZINC000670452598 541000192 /nfs/dbraw/zinc/00/01/92/541000192.db2.gz KNAADLWRMQJRBV-UHFFFAOYSA-N 1 0 276.409 2.545 50 0 CFAARO C[N@H+](Cc1ccc2cc[nH]c2n1)CC1(CO)CCCC1 ZINC000670453394 541000579 /nfs/dbraw/zinc/00/05/79/541000579.db2.gz IITSUJNPHVQRFU-UHFFFAOYSA-N 1 0 273.380 2.547 50 0 CFAARO COCC[C@H]1C[N@H+](CCCCc2ccccc2)CCO1 ZINC000670458847 541001932 /nfs/dbraw/zinc/00/19/32/541001932.db2.gz VADADAHHBJRHPW-KRWDZBQOSA-N 1 0 277.408 2.747 50 0 CFAARO Cc1cccc2[nH]c(C[N@H+](C)CCCn3cccn3)nc21 ZINC000670465126 541005827 /nfs/dbraw/zinc/00/58/27/541005827.db2.gz ZHVDUKITNJGKQQ-UHFFFAOYSA-N 1 0 283.379 2.590 50 0 CFAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000670474305 541011446 /nfs/dbraw/zinc/01/14/46/541011446.db2.gz ZRIPFDDUVFBSRS-IBGZPJMESA-N 1 0 295.382 2.715 50 0 CFAARO CCNC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2F)C1 ZINC000180945085 189284365 /nfs/dbraw/zinc/28/43/65/189284365.db2.gz RPMZPIDOCBQBPX-SWLSCSKDSA-N 1 0 293.386 2.670 50 0 CFAARO COC1(C[NH2+][C@@H](C)Cc2ccccc2F)CCOCC1 ZINC000188255744 189495719 /nfs/dbraw/zinc/49/57/19/189495719.db2.gz MVFIUSNMUPWFBW-ZDUSSCGKSA-N 1 0 281.371 2.542 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076960402 541331841 /nfs/dbraw/zinc/33/18/41/541331841.db2.gz PHNYQWNEOKGUDD-JCGIZDLHSA-N 1 0 298.430 2.699 50 0 CFAARO CC(C)c1cc(C[N@H+](C)CCC2(O)CCCC2)on1 ZINC000216351944 189703448 /nfs/dbraw/zinc/70/34/48/189703448.db2.gz KSIYQOHXLBIBEG-UHFFFAOYSA-N 1 0 266.385 2.925 50 0 CFAARO O=C(NC1CCCCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000035876877 283926717 /nfs/dbraw/zinc/92/67/17/283926717.db2.gz ZDZGWXBWMYIRPR-MRXNPFEDSA-N 1 0 272.392 2.540 50 0 CFAARO O=C([C@H]1CCCc2ccccc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065595906 296118697 /nfs/dbraw/zinc/11/86/97/296118697.db2.gz WOKFBZXQLBMJOX-AEFFLSMTSA-N 1 0 298.430 2.803 50 0 CFAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccccc2)C1 ZINC000230104149 189805099 /nfs/dbraw/zinc/80/50/99/189805099.db2.gz ZUTKUMRHLZENHR-DLBZAZTESA-N 1 0 280.371 2.971 50 0 CFAARO [NH3+]C[C@H](c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000000085165 371527274 /nfs/dbraw/zinc/52/72/74/371527274.db2.gz PZCVDWCXOZQXQS-CQSZACIVSA-N 1 0 255.317 2.548 50 0 CFAARO CC[NH+](CC)C[C@H](O)Cn1c(C)c(C)c2ccccc21 ZINC000000096630 371529497 /nfs/dbraw/zinc/52/94/97/371529497.db2.gz CAEWJISHNSVROI-HNNXBMFYSA-N 1 0 274.408 2.961 50 0 CFAARO CC[NH+](CC)CCC(=O)c1ccc(OC)c(OC)c1 ZINC000000141445 371542046 /nfs/dbraw/zinc/54/20/46/371542046.db2.gz FTYMRYNTHZILTR-UHFFFAOYSA-N 1 0 265.353 2.618 50 0 biogenic,in-vitro CFAARO C[NH+](C)CCC(=O)c1ccc(Br)cc1 ZINC000000184531 371553103 /nfs/dbraw/zinc/55/31/03/371553103.db2.gz RSRQDUSONVRSMB-UHFFFAOYSA-N 1 0 256.143 2.584 50 0 CFAARO COc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000195334 371554481 /nfs/dbraw/zinc/55/44/81/371554481.db2.gz VANPNAUNJWPKGO-UHFFFAOYSA-N 1 0 290.407 2.734 50 0 CFAARO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccccc1Cl ZINC000000210709 371559496 /nfs/dbraw/zinc/55/94/96/371559496.db2.gz BJRDJWSBYLPXMR-NSHDSACASA-N 1 0 267.756 2.981 50 0 CFAARO CCN1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000000213543 371561232 /nfs/dbraw/zinc/56/12/32/371561232.db2.gz FRXTVKMLTMOUJU-GFCCVEGCSA-N 1 0 250.361 2.961 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000238236 371564404 /nfs/dbraw/zinc/56/44/04/371564404.db2.gz FYPCAMHWDVEOGV-OAHLLOKOSA-N 1 0 292.398 2.906 50 0 CFAARO O=C(c1cccc(F)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000000239813 371566045 /nfs/dbraw/zinc/56/60/45/371566045.db2.gz QPTIQLUCSJVROI-UHFFFAOYSA-N 1 0 276.355 2.526 50 0 CFAARO C[C@@H](O)C[NH+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)O ZINC000000278705 371576694 /nfs/dbraw/zinc/57/66/94/371576694.db2.gz XQRYACUWNGPPFZ-NXEZZACHSA-N 1 0 292.206 2.557 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2OC)cc1OC ZINC000000293327 371579165 /nfs/dbraw/zinc/57/91/65/371579165.db2.gz FKLFVYLEEONXDY-UONOGXRCSA-N 1 0 279.380 2.751 50 0 CFAARO C[NH+](C)C[C@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000000303730 371582895 /nfs/dbraw/zinc/58/28/95/371582895.db2.gz IELWSMOKSKLORL-QMMMGPOBSA-N 1 0 298.597 2.948 50 0 CFAARO O=c1oc2ccccc2c2c1ncn2CC[NH+]1CCCCC1 ZINC000000377018 371598654 /nfs/dbraw/zinc/59/86/54/371598654.db2.gz RIUAOKXWPNMOFD-UHFFFAOYSA-N 1 0 297.358 2.629 50 0 CFAARO C=Cc1cc(OC)c(OC)c(OC)c1[C@H](C)[NH+](C)C ZINC000000391672 371603419 /nfs/dbraw/zinc/60/34/19/371603419.db2.gz JZHDOVIGNCGWQJ-JTQLQIEISA-N 1 0 265.353 2.978 50 0 CFAARO O[C@@]1(c2ccccc2)C[n+]2ccccc2N1c1ccccc1 ZINC000001468246 371676999 /nfs/dbraw/zinc/67/69/99/371676999.db2.gz ZOFDBHVBHFGUQF-LJQANCHMSA-N 1 0 289.358 2.971 50 0 CFAARO CC(C)[C@H]1O[C@@H](c2ccccc2)CN1CCC[NH+](C)C ZINC000000517307 371633659 /nfs/dbraw/zinc/63/36/59/371633659.db2.gz PBFNXZXJUZGFQH-IAGOWNOFSA-N 1 0 276.424 2.994 50 0 CFAARO [NH2+]=C(NCCc1ccccc1)Nc1nc2ccccc2[nH]1 ZINC000000539644 371637570 /nfs/dbraw/zinc/63/75/70/371637570.db2.gz OBMRLIZZYBVLPG-UHFFFAOYSA-N 1 0 279.347 2.742 50 0 CFAARO c1ccc2c(c1)CC([NH2+]Cc1ccc3c(c1)OCO3)C2 ZINC000000757006 371647270 /nfs/dbraw/zinc/64/72/70/371647270.db2.gz HGRMKMHKMTWXJY-UHFFFAOYSA-N 1 0 267.328 2.672 50 0 CFAARO c1ccc(CC[NH+]2CCC(N3CCSCC3)CC2)cc1 ZINC000000757833 371648744 /nfs/dbraw/zinc/64/87/44/371648744.db2.gz UGCGXWXLYSLRED-UHFFFAOYSA-N 1 0 290.476 2.742 50 0 CFAARO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000000810004 371650332 /nfs/dbraw/zinc/65/03/32/371650332.db2.gz YPTYUPCDURFUTE-UHFFFAOYSA-N 1 0 289.423 2.813 50 0 CFAARO Cc1cccc(C[C@H](O)C(Cl)(Cl)Cl)n1 ZINC000002155982 371717193 /nfs/dbraw/zinc/71/71/93/371717193.db2.gz TWTSKQISZZIJSH-QMMMGPOBSA-N 1 0 254.544 2.664 50 0 CFAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccc(OC)cc1 ZINC000002180645 371718780 /nfs/dbraw/zinc/71/87/80/371718780.db2.gz WOEWSFRZYMVVQV-LBPRGKRZSA-N 1 0 265.353 2.582 50 0 CFAARO CCc1nc2c3ccccc3oc2c(OCC[NH+](C)C)n1 ZINC000002362724 371723451 /nfs/dbraw/zinc/72/34/51/371723451.db2.gz YQFGLVQJEOOWJK-UHFFFAOYSA-N 1 0 285.347 2.879 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000002527184 371733622 /nfs/dbraw/zinc/73/36/22/371733622.db2.gz BXBJCDYQOADWQL-UHFFFAOYSA-N 1 0 291.395 2.571 50 0 CFAARO COc1ccc(C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000001668289 371694311 /nfs/dbraw/zinc/69/43/11/371694311.db2.gz PKTLIDMRTCKHIM-CQSZACIVSA-N 1 0 257.333 2.946 50 0 CFAARO O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCCC1 ZINC000002627706 371743042 /nfs/dbraw/zinc/74/30/42/371743042.db2.gz HETWHWDMGDOCTI-SNVBAGLBSA-N 1 0 290.190 2.829 50 0 CFAARO CCc1cccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000002651168 371744739 /nfs/dbraw/zinc/74/47/39/371744739.db2.gz KEDSNNKIEXCGDK-INIZCTEOSA-N 1 0 277.408 2.721 50 0 CFAARO CC[NH+](CC)CCCNC(=O)/C=C/c1ccccc1 ZINC000002739675 371749876 /nfs/dbraw/zinc/74/98/76/371749876.db2.gz LDDOQZMRYOLZGK-VAWYXSNFSA-N 1 0 260.381 2.548 50 0 CFAARO COc1cccc(OCC[NH2+]Cc2ccccc2)c1 ZINC000002824199 371757001 /nfs/dbraw/zinc/75/70/01/371757001.db2.gz HYCWZCKOVPSMRC-UHFFFAOYSA-N 1 0 257.333 2.864 50 0 CFAARO C[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)C[NH+](C)C ZINC000002824287 371757676 /nfs/dbraw/zinc/75/76/76/371757676.db2.gz BIPFMLQJRQXMPR-CYBMUJFWSA-N 1 0 276.424 2.912 50 0 CFAARO C[C@@H](O)C[NH2+]CCOc1cccc(Oc2ccccc2)c1 ZINC000002880217 371763303 /nfs/dbraw/zinc/76/33/03/371763303.db2.gz PXGNBLIXBYCABN-CQSZACIVSA-N 1 0 287.359 2.828 50 0 CFAARO CC(C)(C)c1ccc(OCCCC[NH2+]CCO)cc1 ZINC000002899649 371763431 /nfs/dbraw/zinc/76/34/31/371763431.db2.gz IHFBZBPIWGOPME-UHFFFAOYSA-N 1 0 265.397 2.725 50 0 CFAARO CC(C)c1ccccc1OCC[NH2+]C[C@@H]1CCCO1 ZINC000003247044 371783513 /nfs/dbraw/zinc/78/35/13/371783513.db2.gz VEAWUUPPAVKLHV-AWEZNQCLSA-N 1 0 263.381 2.957 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000002582533 371741750 /nfs/dbraw/zinc/74/17/50/371741750.db2.gz ZTXFSUQPHPWBCG-SECBINFHSA-N 1 0 262.136 2.946 50 0 CFAARO CC(C)[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000003389521 371796696 /nfs/dbraw/zinc/79/66/96/371796696.db2.gz NXLKIDDFWSPYIP-UHFFFAOYSA-N 1 0 296.168 2.997 50 0 CFAARO COc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000003439883 371800166 /nfs/dbraw/zinc/80/01/66/371800166.db2.gz JMTHOIGGAHWQJU-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO Cc1ccc(OC[C@@H](O)[C@H](C)[NH2+]C(C)C)c2c1CCC2 ZINC000003872881 371820434 /nfs/dbraw/zinc/82/04/34/371820434.db2.gz VFIDUCMKNJIJTO-XJKSGUPXSA-N 1 0 277.408 2.610 50 0 in-vitro CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)cc1C ZINC000003893513 371824649 /nfs/dbraw/zinc/82/46/49/371824649.db2.gz CGXFLSFZVZZFFI-HOTGVXAUSA-N 1 0 277.408 2.918 50 0 CFAARO COc1ccc(OC)c(-c2cc(C3CC[NH2+]CC3)[nH]n2)c1 ZINC000004024793 371828747 /nfs/dbraw/zinc/82/87/47/371828747.db2.gz BMSZHSCWCWOSTB-UHFFFAOYSA-N 1 0 287.363 2.561 50 0 CFAARO COc1ccccc1NC(=O)OC[C@H]1CCCC[N@@H+]1C ZINC000004566632 371864341 /nfs/dbraw/zinc/86/43/41/371864341.db2.gz FXRAYLUFYVJHQO-GFCCVEGCSA-N 1 0 278.352 2.728 50 0 CFAARO CCCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000004552772 371864563 /nfs/dbraw/zinc/86/45/63/371864563.db2.gz CXDDFASBENCLMU-UHFFFAOYSA-N 1 0 292.398 2.954 50 0 CFAARO Brc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000004657504 371869582 /nfs/dbraw/zinc/86/95/82/371869582.db2.gz DFGSZHMWOVDCSH-GFCCVEGCSA-N 1 0 270.170 2.718 50 0 CFAARO Brc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004657503 371870157 /nfs/dbraw/zinc/87/01/57/371870157.db2.gz DFGSZHMWOVDCSH-LBPRGKRZSA-N 1 0 270.170 2.718 50 0 CFAARO C[N@H+](CCOC(=O)c1cccc(F)c1)C(C)(C)C ZINC000004664786 371871864 /nfs/dbraw/zinc/87/18/64/371871864.db2.gz VHODVJCYWUAQEB-UHFFFAOYSA-N 1 0 253.317 2.713 50 0 CFAARO CC(C)(C)NC(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004679525 371872063 /nfs/dbraw/zinc/87/20/63/371872063.db2.gz DKRADOWFLKQPDA-AWEZNQCLSA-N 1 0 278.440 2.969 50 0 CFAARO CCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000004739882 371873229 /nfs/dbraw/zinc/87/32/29/371873229.db2.gz MQASBLSZIGYORK-UHFFFAOYSA-N 1 0 275.396 2.567 50 0 CFAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)C1CCC1 ZINC000011933511 371937745 /nfs/dbraw/zinc/93/77/45/371937745.db2.gz OGIQJVDQYWQNBH-KRWDZBQOSA-N 1 0 286.419 2.610 50 0 CFAARO CC(C)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338509 371906311 /nfs/dbraw/zinc/90/63/11/371906311.db2.gz GLGLIKUOBDSMRN-UHFFFAOYSA-N 1 0 260.381 2.668 50 0 CFAARO CCOc1c(C[NH2+]C(C)(C)CO)cc(Cl)cc1OC ZINC000010473843 371910447 /nfs/dbraw/zinc/91/04/47/371910447.db2.gz XWIRFZSHVYIXCH-UHFFFAOYSA-N 1 0 287.787 2.608 50 0 CFAARO COc1ccc(CC[N@@H+]2Cc3ccc(N)cc3C2)cc1 ZINC000011731115 371927597 /nfs/dbraw/zinc/92/75/97/371927597.db2.gz NDPWUABRZQKYPC-UHFFFAOYSA-N 1 0 268.360 2.836 50 0 CFAARO O=C1C[C@H]([NH2+]Cc2ccccc2)CN1Cc1ccc(F)cc1 ZINC000011839644 371928422 /nfs/dbraw/zinc/92/84/22/371928422.db2.gz LSWMQNMDUSYDRA-KRWDZBQOSA-N 1 0 298.361 2.716 50 0 CFAARO CN1CC[N+](=C2C=C(N3CCCCC3)CC(C)(C)C2)CC1 ZINC000012632377 371979551 /nfs/dbraw/zinc/97/95/51/371979551.db2.gz BADJJZQAGXLCIW-UHFFFAOYSA-N 1 0 290.475 2.575 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C(C)(C)C)c1ccsc1 ZINC000012348678 371953544 /nfs/dbraw/zinc/95/35/44/371953544.db2.gz XPRGONZMQWSCQJ-NSHDSACASA-N 1 0 254.399 2.513 50 0 CFAARO Cc1ccc(C)c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000012363262 371954908 /nfs/dbraw/zinc/95/49/08/371954908.db2.gz YBAXGSAADMRPKZ-GASCZTMLSA-N 1 0 290.407 2.741 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCc1ccccc1 ZINC000013305040 372021220 /nfs/dbraw/zinc/02/12/20/372021220.db2.gz NQORPPOOEJKAEV-BFYDXBDKSA-N 1 0 277.408 2.827 50 0 CFAARO CC[NH+](CC)CCCNCc1ccccc1OC ZINC000013734186 372046891 /nfs/dbraw/zinc/04/68/91/372046891.db2.gz SRTSMDOWGHWXCQ-UHFFFAOYSA-N 1 0 250.386 2.517 50 0 CFAARO CS[C@@H]1CCC[C@@H](NC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000237411188 189875274 /nfs/dbraw/zinc/87/52/74/189875274.db2.gz DFZLDJKEVSWCGB-BPLDGKMQSA-N 1 0 298.496 2.803 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC000013019590 372011361 /nfs/dbraw/zinc/01/13/61/372011361.db2.gz LQCUHYNVVHOFNB-UHFFFAOYSA-N 1 0 286.419 2.778 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+]CCCO ZINC000016527142 372109119 /nfs/dbraw/zinc/10/91/19/372109119.db2.gz VUWQCMCRXWKLNL-UHFFFAOYSA-N 1 0 257.761 2.601 50 0 CFAARO CCCc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000016605430 372113506 /nfs/dbraw/zinc/11/35/06/372113506.db2.gz QBVYWQXWYKQFAU-UHFFFAOYSA-N 1 0 274.408 2.855 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1O ZINC000016694810 372118051 /nfs/dbraw/zinc/11/80/51/372118051.db2.gz CHNNAOZJHQWWTE-AWEZNQCLSA-N 1 0 298.386 2.760 50 0 CFAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000014169291 372062818 /nfs/dbraw/zinc/06/28/18/372062818.db2.gz QBHVYMXBKRPKDN-UHFFFAOYSA-N 1 0 299.399 2.696 50 0 CFAARO C[NH+](C)CCCOc1ccc(C(F)(F)F)cc1N ZINC000014629451 372070337 /nfs/dbraw/zinc/07/03/37/372070337.db2.gz KEGXJFRXIWKCST-UHFFFAOYSA-N 1 0 262.275 2.618 50 0 CFAARO FC(F)(F)Oc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631356 372072250 /nfs/dbraw/zinc/07/22/50/372072250.db2.gz XHKVFZOTDRJDNB-SNVBAGLBSA-N 1 0 275.270 2.964 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)n1C1CC1 ZINC000237446935 189876804 /nfs/dbraw/zinc/87/68/04/189876804.db2.gz QHMRSKNINZPGKP-JSGCOSHPSA-N 1 0 289.423 2.639 50 0 CFAARO S=C1N=NC(c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000017791158 372136115 /nfs/dbraw/zinc/13/61/15/372136115.db2.gz GVKQGJPRXMTXOU-UHFFFAOYSA-N 1 0 288.420 2.720 50 0 CFAARO c1ccc2c(c1)cccc2C[NH2+]CCCN1CCOCC1 ZINC000019702001 372180522 /nfs/dbraw/zinc/18/05/22/372180522.db2.gz PQWXUENECVQTEI-UHFFFAOYSA-N 1 0 284.403 2.652 50 0 CFAARO [NH3+]C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000019280107 372154657 /nfs/dbraw/zinc/15/46/57/372154657.db2.gz VXMROVMSWPHDPP-UHFFFAOYSA-N 1 0 274.286 2.508 50 0 CFAARO [NH3+]CCOc1ccc2cc(Br)ccc2c1 ZINC000019438025 372164979 /nfs/dbraw/zinc/16/49/79/372164979.db2.gz QWPVTXKQQHEQKD-UHFFFAOYSA-N 1 0 266.138 2.940 50 0 CFAARO C[N@@H+]1CCCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019537147 372174159 /nfs/dbraw/zinc/17/41/59/372174159.db2.gz DRHFCKXWOOBBKR-UHFFFAOYSA-N 1 0 272.314 2.843 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000017022730 372126206 /nfs/dbraw/zinc/12/62/06/372126206.db2.gz XIBXWHAGUKQAFM-UHFFFAOYSA-N 1 0 291.395 2.609 50 0 CFAARO Cn1cc(C[N@H+](C)CCc2ccc(Cl)cc2)cn1 ZINC000019794412 372188528 /nfs/dbraw/zinc/18/85/28/372188528.db2.gz GQHLUEAUMRGKLJ-UHFFFAOYSA-N 1 0 263.772 2.748 50 0 CFAARO C[C@@H]([NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000019873347 372202379 /nfs/dbraw/zinc/20/23/79/372202379.db2.gz GQKUZACIJAQLEM-ZYHUDNBSSA-N 1 0 253.317 2.793 50 0 CFAARO CCOc1ccc2ccccc2c1C[NH2+]CCN(C)C ZINC000019871903 372202602 /nfs/dbraw/zinc/20/26/02/372202602.db2.gz VRTDPGGORKCDBI-UHFFFAOYSA-N 1 0 272.392 2.890 50 0 CFAARO COc1ccc(CC[NH2+][C@@H](C)c2ccncc2)cc1OC ZINC000019902441 372204644 /nfs/dbraw/zinc/20/46/44/372204644.db2.gz HWDFOOMEKLFPLO-ZDUSSCGKSA-N 1 0 286.375 2.992 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1)c1ccccc1 ZINC000025531202 372302785 /nfs/dbraw/zinc/30/27/85/372302785.db2.gz CQFDEAVZQNKFAY-KRWDZBQOSA-N 1 0 297.402 2.789 50 0 CFAARO C[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000022028901 372243368 /nfs/dbraw/zinc/24/33/68/372243368.db2.gz SUIZRDJCBVPASY-UHFFFAOYSA-N 1 0 273.207 2.783 50 0 in-vitro CFAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000023281417 372256836 /nfs/dbraw/zinc/25/68/36/372256836.db2.gz PGDIEUCBOMCKAS-AWEZNQCLSA-N 1 0 253.386 2.984 50 0 CFAARO C[C@H](CC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000023282086 372258494 /nfs/dbraw/zinc/25/84/94/372258494.db2.gz JBLYGOPLFJUOCM-MRXNPFEDSA-N 1 0 296.418 2.792 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000023623393 372263364 /nfs/dbraw/zinc/26/33/64/372263364.db2.gz VPNYXQJDVZLLLC-UHFFFAOYSA-N 1 0 281.787 2.946 50 0 CFAARO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)C(C)C ZINC000024791465 372281880 /nfs/dbraw/zinc/28/18/80/372281880.db2.gz MDHYQZOZAMEIJK-UHFFFAOYSA-N 1 0 270.760 2.627 50 0 CFAARO C[C@H](Nc1cnn(CC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000097037669 299431246 /nfs/dbraw/zinc/43/12/46/299431246.db2.gz PAQPGUQZTWUKGD-NSHDSACASA-N 1 0 294.349 2.896 50 0 CFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000024976206 372285907 /nfs/dbraw/zinc/28/59/07/372285907.db2.gz ISZFZPAAJJUYRN-OAHLLOKOSA-N 1 0 286.400 2.752 50 0 CFAARO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]CCN(C)C ZINC000025763845 372307135 /nfs/dbraw/zinc/30/71/35/372307135.db2.gz YRYHZTDMVWWJPM-UONOGXRCSA-N 1 0 291.439 2.678 50 0 CFAARO O=C(Nc1ccncc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000028229306 372360863 /nfs/dbraw/zinc/36/08/63/372360863.db2.gz AMHCDUONUFAYRT-UHFFFAOYSA-N 1 0 285.347 2.913 50 0 CFAARO CCCC[C@H](CC)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932224 372354061 /nfs/dbraw/zinc/35/40/61/372354061.db2.gz CFBUHKAMPDNOQD-UONOGXRCSA-N 1 0 252.402 2.509 50 0 CFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC=CCC1 ZINC000030318390 372392458 /nfs/dbraw/zinc/39/24/58/372392458.db2.gz OEPOKWPVJDSEQN-INIZCTEOSA-N 1 0 284.403 2.517 50 0 CFAARO C[C@H](C1CC1)[N@H+](CC(=O)NCc1ccccc1F)C1CC1 ZINC000031655105 372414116 /nfs/dbraw/zinc/41/41/16/372414116.db2.gz MIQXJYPYPDPHCL-GFCCVEGCSA-N 1 0 290.382 2.705 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C(C)C)c(C)c1 ZINC000032561814 372446388 /nfs/dbraw/zinc/44/63/88/372446388.db2.gz MGKSLIGLWWQANP-CABCVRRESA-N 1 0 265.397 2.677 50 0 CFAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccoc1 ZINC000032762163 372460811 /nfs/dbraw/zinc/46/08/11/372460811.db2.gz ZXNYSJHHSODFKI-CYBMUJFWSA-N 1 0 290.388 2.908 50 0 CFAARO Cc1ccoc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032843963 372468074 /nfs/dbraw/zinc/46/80/74/372468074.db2.gz OCIHTXKZOGZVMX-UHFFFAOYSA-N 1 0 298.386 2.982 50 0 CFAARO CCC(=O)O[C@]1(c2ccc(C)cc2)CC[N@H+](C)[C@@H]1C ZINC000033864872 372501699 /nfs/dbraw/zinc/50/16/99/372501699.db2.gz ROOQMFGONPGNRH-CZUORRHYSA-N 1 0 261.365 2.868 50 0 CFAARO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC000034754778 372514612 /nfs/dbraw/zinc/51/46/12/372514612.db2.gz ZJIUNFXZNFHXCE-DYVFJYSZSA-N 1 0 280.371 2.578 50 0 CFAARO CCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)CC ZINC000036095974 372558427 /nfs/dbraw/zinc/55/84/27/372558427.db2.gz XHQNUEFDWSLFPY-CQSZACIVSA-N 1 0 281.396 2.687 50 0 CFAARO COc1ccc(F)cc1[C@H](C)[NH2+]C1CCOCC1 ZINC000037089686 372647966 /nfs/dbraw/zinc/64/79/66/372647966.db2.gz BPLUBDZCIVEXBB-JTQLQIEISA-N 1 0 253.317 2.664 50 0 CFAARO CC(=O)N1CCC([NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC000037138354 372653520 /nfs/dbraw/zinc/65/35/20/372653520.db2.gz LRWXBCJVYCGNCU-SNVBAGLBSA-N 1 0 282.334 2.626 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000037140288 372653823 /nfs/dbraw/zinc/65/38/23/372653823.db2.gz RWMNOWIDVTXKHE-NSHDSACASA-N 1 0 259.353 2.535 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142118 372655760 /nfs/dbraw/zinc/65/57/60/372655760.db2.gz DOICJUOBAFWQJM-QWRGUYRKSA-N 1 0 261.291 2.929 50 0 CFAARO COc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)n2)cc1OC ZINC000036874267 372604783 /nfs/dbraw/zinc/60/47/83/372604783.db2.gz XPRWZAAQFFEKCD-UHFFFAOYSA-N 1 0 287.363 2.561 50 0 CFAARO CCc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000037208911 372661144 /nfs/dbraw/zinc/66/11/44/372661144.db2.gz MFJHWSGGACIUQY-GOEBONIOSA-N 1 0 277.408 2.721 50 0 CFAARO CCOc1ccccc1CNC[C@@H]1CC[N@H+](CC)C1 ZINC000037643762 372679173 /nfs/dbraw/zinc/67/91/73/372679173.db2.gz XXBFMXFXKNDVMH-AWEZNQCLSA-N 1 0 262.397 2.517 50 0 CFAARO CC[N@@H+]1CC[C@@H](CNCc2ccccc2Cl)C1 ZINC000037643728 372679225 /nfs/dbraw/zinc/67/92/25/372679225.db2.gz NOUVZWDQMCBKRU-LBPRGKRZSA-N 1 0 252.789 2.771 50 0 CFAARO Cc1ccc(/C=C/C(=O)N2CCC(C[NH3+])CC2)cc1Cl ZINC000237816634 189890898 /nfs/dbraw/zinc/89/08/98/189890898.db2.gz BPPFPFLTFBWCSP-SNAWJCMRSA-N 1 0 292.810 2.859 50 0 CFAARO CC(C)CC[NH+]1CCN(C(=O)c2ccnc(Cl)c2)CC1 ZINC000037991459 372752311 /nfs/dbraw/zinc/75/23/11/372752311.db2.gz XQUMZHUKGFTWKV-UHFFFAOYSA-N 1 0 295.814 2.539 50 0 CFAARO O=C(CC1CC[NH2+]CC1)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000038075525 372773353 /nfs/dbraw/zinc/77/33/53/372773353.db2.gz GRZOKLRNPCBLSJ-NWDGAFQWSA-N 1 0 292.345 2.613 50 0 CFAARO C[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000040730878 372784439 /nfs/dbraw/zinc/78/44/39/372784439.db2.gz OWFORZRCNPHYEW-UHFFFAOYSA-N 1 0 258.159 2.956 50 0 CFAARO CC[NH+](CC)CCCNC(=O)c1cc2ccccc2o1 ZINC000041590441 372853168 /nfs/dbraw/zinc/85/31/68/372853168.db2.gz XDGAAAMAGDBUKZ-UHFFFAOYSA-N 1 0 274.364 2.895 50 0 CFAARO Fc1ccc(C[NH2+]CCn2cccn2)cc1Br ZINC000042351837 372910482 /nfs/dbraw/zinc/91/04/82/372910482.db2.gz IZEUZBRRWBFBDX-UHFFFAOYSA-N 1 0 298.159 2.575 50 0 CFAARO C[C@H](CNC(=O)c1cc2ccccc2o1)[NH+]1CCCC1 ZINC000042503922 372929641 /nfs/dbraw/zinc/92/96/41/372929641.db2.gz XOCBSKGWLSSGAA-GFCCVEGCSA-N 1 0 272.348 2.647 50 0 CFAARO C[C@H]([NH2+]CCn1cccn1)c1ccc(F)cc1F ZINC000042538918 372934657 /nfs/dbraw/zinc/93/46/57/372934657.db2.gz CXUSLPCVHZSADQ-JTQLQIEISA-N 1 0 251.280 2.512 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccncc1)c1cccs1 ZINC000043144411 372977409 /nfs/dbraw/zinc/97/74/09/372977409.db2.gz WZPDLMZDKNTRKQ-LBPRGKRZSA-N 1 0 290.392 2.568 50 0 CFAARO CCc1ccc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774820 372954426 /nfs/dbraw/zinc/95/44/26/372954426.db2.gz MALFEUXOQIWOIM-SNVBAGLBSA-N 1 0 270.170 2.752 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000044541177 373005251 /nfs/dbraw/zinc/00/52/51/373005251.db2.gz QFTCDHDONORPBB-LBPRGKRZSA-N 1 0 287.190 2.947 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cccc(F)c2)C1 ZINC000047416341 373094584 /nfs/dbraw/zinc/09/45/84/373094584.db2.gz PEPSAVDZAZUGBO-ZIAGYGMSSA-N 1 0 292.398 2.924 50 0 CFAARO CC1CC[NH+](CCNC(=O)CCc2ccsc2)CC1 ZINC000046957094 373071475 /nfs/dbraw/zinc/07/14/75/373071475.db2.gz HPPSEWSUHHNBLX-UHFFFAOYSA-N 1 0 280.437 2.529 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048287157 373158792 /nfs/dbraw/zinc/15/87/92/373158792.db2.gz NLEXLHMLXWWAIQ-MCIONIFRSA-N 1 0 292.427 2.769 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048287153 373159378 /nfs/dbraw/zinc/15/93/78/373159378.db2.gz NLEXLHMLXWWAIQ-MJBXVCDLSA-N 1 0 292.427 2.769 50 0 CFAARO Cc1ccsc1C[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000048375400 373171005 /nfs/dbraw/zinc/17/10/05/373171005.db2.gz BYXSNRPLLXTCPK-UHFFFAOYSA-N 1 0 299.399 2.696 50 0 CFAARO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C)nc1 ZINC000048965093 373241354 /nfs/dbraw/zinc/24/13/54/373241354.db2.gz NFTCSVZZMRXLKM-UHFFFAOYSA-N 1 0 291.439 2.830 50 0 CFAARO CC[NH+](CC)CC(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000049094414 373267848 /nfs/dbraw/zinc/26/78/48/373267848.db2.gz WLVBDUCVDDYGQN-CYBMUJFWSA-N 1 0 296.798 2.622 50 0 CFAARO CCNC(=O)CC[N@H+](C)Cc1csc2ccccc12 ZINC000051853510 373413137 /nfs/dbraw/zinc/41/31/37/373413137.db2.gz ZIHAKCZRMAWIGH-UHFFFAOYSA-N 1 0 276.405 2.859 50 0 CFAARO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000051999270 373428432 /nfs/dbraw/zinc/42/84/32/373428432.db2.gz ZSTFUORUQQNTBB-GXTWGEPZSA-N 1 0 289.404 2.598 50 0 CFAARO Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H]2CCOC2)c(C)c1 ZINC000051589652 373400812 /nfs/dbraw/zinc/40/08/12/373400812.db2.gz VYBFZPMVLGAQIQ-HNNXBMFYSA-N 1 0 290.407 2.519 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]CC2CCOCC2)cc1OC ZINC000052172283 373439700 /nfs/dbraw/zinc/43/97/00/373439700.db2.gz WXBBNRHYQKRAJY-GFCCVEGCSA-N 1 0 279.380 2.781 50 0 CFAARO Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(N)c1 ZINC000052929381 373459060 /nfs/dbraw/zinc/45/90/60/373459060.db2.gz KYQLPYZHUVVMRJ-UHFFFAOYSA-N 1 0 281.403 2.899 50 0 CFAARO CCCOCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055054687 373536858 /nfs/dbraw/zinc/53/68/58/373536858.db2.gz TWERLXUVGPOVRQ-UHFFFAOYSA-N 1 0 277.343 2.732 50 0 CFAARO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n[nH]1 ZINC000054775128 373530206 /nfs/dbraw/zinc/53/02/06/373530206.db2.gz PNRGMSITXUFDHW-UHFFFAOYSA-N 1 0 298.390 2.956 50 0 CFAARO CC1(C)CC(NCc2cncs2)CC(C)(C)[NH2+]1 ZINC000054770271 373530268 /nfs/dbraw/zinc/53/02/68/373530268.db2.gz XGJPBKZLHYRSOA-UHFFFAOYSA-N 1 0 253.415 2.542 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c2ccccc12 ZINC000057159576 373581366 /nfs/dbraw/zinc/58/13/66/373581366.db2.gz ZSZQWRLYJPBRTM-HNNXBMFYSA-N 1 0 299.418 2.701 50 0 CFAARO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000057292123 373585988 /nfs/dbraw/zinc/58/59/88/373585988.db2.gz AQGDYWRAIRYPQT-MRXNPFEDSA-N 1 0 272.392 2.882 50 0 CFAARO C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000057315214 373587880 /nfs/dbraw/zinc/58/78/80/373587880.db2.gz RKCPXDYQIBGRCO-UHFFFAOYSA-N 1 0 271.364 2.688 50 0 CFAARO c1csc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000057353424 373589194 /nfs/dbraw/zinc/58/91/94/373589194.db2.gz CSWUJTLLGSMHTO-UHFFFAOYSA-N 1 0 257.362 2.957 50 0 CFAARO OCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000057353102 373590237 /nfs/dbraw/zinc/59/02/37/373590237.db2.gz QIGMCMLZKVZWIT-UHFFFAOYSA-N 1 0 298.361 2.911 50 0 CFAARO COCC[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCOC1 ZINC000055196852 373543603 /nfs/dbraw/zinc/54/36/03/373543603.db2.gz SBAOKCFKUQVXAX-JZLODUJNSA-N 1 0 275.392 2.685 50 0 CFAARO c1cnc(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)nc1 ZINC000058023455 373622158 /nfs/dbraw/zinc/62/21/58/373622158.db2.gz RWUNATGZKKJBBD-QGZVFWFLSA-N 1 0 294.402 2.676 50 0 CFAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)CCc1ccccc1F ZINC000058177647 373629744 /nfs/dbraw/zinc/62/97/44/373629744.db2.gz HQWUCVKLUBMZNG-HNNXBMFYSA-N 1 0 292.398 2.701 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000058210014 373633120 /nfs/dbraw/zinc/63/31/20/373633120.db2.gz TVUMUQDQJCGQTI-UHFFFAOYSA-N 1 0 283.322 2.524 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000058218465 373633701 /nfs/dbraw/zinc/63/37/01/373633701.db2.gz RXKUBJSKZYCRDY-UHFFFAOYSA-N 1 0 261.369 2.555 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1O ZINC000058281520 373640505 /nfs/dbraw/zinc/64/05/05/373640505.db2.gz RBEYQLUMCJVWSY-INIZCTEOSA-N 1 0 287.359 2.532 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]12)c1occc1-c1ccccc1 ZINC000058369320 373650340 /nfs/dbraw/zinc/65/03/40/373650340.db2.gz CIMMISOHPHCQOA-JKSUJKDBSA-N 1 0 296.370 2.913 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H](C)c1cccs1 ZINC000058379666 373653280 /nfs/dbraw/zinc/65/32/80/373653280.db2.gz VSLMBGKNHXSJEV-LLVKDONJSA-N 1 0 278.425 2.707 50 0 CFAARO CC(C)CC[NH+]1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000057626344 373604276 /nfs/dbraw/zinc/60/42/76/373604276.db2.gz OUZUXAFAUWCLQQ-UHFFFAOYSA-N 1 0 288.435 2.785 50 0 CFAARO c1ccc(CN2CCC([NH2+]Cc3cccnc3)CC2)cc1 ZINC000057755507 373609974 /nfs/dbraw/zinc/60/99/74/373609974.db2.gz CHTOYPLEEAUYGN-UHFFFAOYSA-N 1 0 281.403 2.836 50 0 CFAARO CCC[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000060974973 373708862 /nfs/dbraw/zinc/70/88/62/373708862.db2.gz MDNADWLHEQWYEP-UHFFFAOYSA-N 1 0 289.375 2.763 50 0 CFAARO COc1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC000060474122 373697440 /nfs/dbraw/zinc/69/74/40/373697440.db2.gz QMGCREZXZGMAJM-UHFFFAOYSA-N 1 0 256.349 2.765 50 0 CFAARO CCC[N@H+](C)CC(=O)NCc1cccc(COC(C)C)c1 ZINC000063755919 373815421 /nfs/dbraw/zinc/81/54/21/373815421.db2.gz PGBCKBFEMJDFAL-UHFFFAOYSA-N 1 0 292.423 2.570 50 0 CFAARO C[C@H](CC(C)(C)O)[NH2+]CCCc1nc2ccccc2n1C ZINC000065499209 373879627 /nfs/dbraw/zinc/87/96/27/373879627.db2.gz NMZGLTSFYBAVEL-CYBMUJFWSA-N 1 0 289.423 2.645 50 0 CFAARO CCCc1nc(C)c(C(=O)N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000065550997 373887614 /nfs/dbraw/zinc/88/76/14/373887614.db2.gz ZLURLRYFKVSKAF-LBPRGKRZSA-N 1 0 295.452 2.570 50 0 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/nfs/dbraw/zinc/99/01/16/373990116.db2.gz DSCGIDOEZIRAAN-UHFFFAOYSA-N 1 0 294.402 2.724 50 0 CFAARO C=Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000067690569 373991553 /nfs/dbraw/zinc/99/15/53/373991553.db2.gz CLEZHQATEZTUMV-OAHLLOKOSA-N 1 0 272.392 2.791 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000069597182 374079297 /nfs/dbraw/zinc/07/92/97/374079297.db2.gz MHFLVTBMBZGDNI-IRXDYDNUSA-N 1 0 290.451 2.898 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000069351311 374056245 /nfs/dbraw/zinc/05/62/45/374056245.db2.gz YYRNGTPQUKZXRL-CQSZACIVSA-N 1 0 293.374 2.518 50 0 CFAARO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@H](C)n1cccn1 ZINC000069351432 374056538 /nfs/dbraw/zinc/05/65/38/374056538.db2.gz VNTBQQZYUOHRSL-STQMWFEESA-N 1 0 275.400 2.574 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)cc1F ZINC000069372695 374057278 /nfs/dbraw/zinc/05/72/78/374057278.db2.gz HBGDVFJRLKLZMB-NWDGAFQWSA-N 1 0 277.343 2.770 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H](C)n1cccn1 ZINC000069391861 374057647 /nfs/dbraw/zinc/05/76/47/374057647.db2.gz SILGLMGOKNJUMS-HUUCEWRRSA-N 1 0 295.390 2.808 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000069385614 374058260 /nfs/dbraw/zinc/05/82/60/374058260.db2.gz ACYBJYCTBVXVNL-CQSZACIVSA-N 1 0 292.810 2.582 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000069490088 374068139 /nfs/dbraw/zinc/06/81/39/374068139.db2.gz WWENRCTUNIGHEC-JTQLQIEISA-N 1 0 253.733 2.616 50 0 CFAARO CCn1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000069488677 374068456 /nfs/dbraw/zinc/06/84/56/374068456.db2.gz TZRZZPBIPXWBNN-UHFFFAOYSA-N 1 0 298.390 2.751 50 0 CFAARO Cc1oc(C)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000069659065 374082952 /nfs/dbraw/zinc/08/29/52/374082952.db2.gz VUPLHOKAFFESSJ-CABCVRRESA-N 1 0 290.407 2.904 50 0 CFAARO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000069653842 374083036 /nfs/dbraw/zinc/08/30/36/374083036.db2.gz DPADDTCRPRLXQE-HNNXBMFYSA-N 1 0 290.382 2.803 50 0 CFAARO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c(C)s1 ZINC000069587968 374077092 /nfs/dbraw/zinc/07/70/92/374077092.db2.gz DODQUWIOUFLTCM-GFCCVEGCSA-N 1 0 278.421 2.579 50 0 CFAARO CCOCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000069586851 374077230 /nfs/dbraw/zinc/07/72/30/374077230.db2.gz XZCXUVQEEHPSKO-ZDUSSCGKSA-N 1 0 263.337 2.589 50 0 CFAARO C[C@H]1CN(Cc2c(F)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000070075383 374121097 /nfs/dbraw/zinc/12/10/97/374121097.db2.gz LJKDJJPLFGISBB-UWVGGRQHSA-N 1 0 256.752 2.661 50 0 CFAARO c1ccc2nc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)ccc2c1 ZINC000069669702 374085320 /nfs/dbraw/zinc/08/53/20/374085320.db2.gz MWLLYFKNYZPCRQ-QGZVFWFLSA-N 1 0 298.386 2.962 50 0 CFAARO c1ccc2oc(CCC[N@@H+]3CCc4cncnc4C3)nc2c1 ZINC000069740236 374091043 /nfs/dbraw/zinc/09/10/43/374091043.db2.gz OVCFVWIFOJYBDW-UHFFFAOYSA-N 1 0 294.358 2.609 50 0 CFAARO CC[C@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1CCOC ZINC000069738358 374091454 /nfs/dbraw/zinc/09/14/54/374091454.db2.gz 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/nfs/dbraw/zinc/23/83/94/374238394.db2.gz BKUSGRQKWWQKKS-HNNXBMFYSA-N 1 0 274.412 2.758 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCc2nnc(C)n2C1 ZINC000072267351 374238764 /nfs/dbraw/zinc/23/87/64/374238764.db2.gz MEINEUBKJGIFBQ-SHRNQRGKSA-N 1 0 296.418 2.842 50 0 CFAARO COCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000072418306 374248367 /nfs/dbraw/zinc/24/83/67/374248367.db2.gz IXEUVGRJCXSTCW-UHFFFAOYSA-N 1 0 273.380 2.772 50 0 CFAARO C[C@H]1C[C@@H]([N@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181996 374327566 /nfs/dbraw/zinc/32/75/66/374327566.db2.gz QWXTXFFZGWJHRO-DVMIWYLISA-N 1 0 277.408 2.839 50 0 CFAARO C[C@H]1C[C@H]([N@H+](C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1 ZINC000073181988 374328425 /nfs/dbraw/zinc/32/84/25/374328425.db2.gz QWXTXFFZGWJHRO-INRQWTSDSA-N 1 0 277.408 2.839 50 0 CFAARO c1cnn(CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000075154702 374463690 /nfs/dbraw/zinc/46/36/90/374463690.db2.gz APKBLNOOQGVJJB-UHFFFAOYSA-N 1 0 255.365 2.795 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cccc1 ZINC000334160312 206121312 /nfs/dbraw/zinc/12/13/12/206121312.db2.gz AWRZSCOGKGAYJC-JKSUJKDBSA-N 1 0 291.439 2.676 50 0 CFAARO O=C(NCc1ccsc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000075584026 374493655 /nfs/dbraw/zinc/49/36/55/374493655.db2.gz BOAWHNFUANATQF-AWEZNQCLSA-N 1 0 293.436 2.518 50 0 CFAARO CC[N@@H+](Cc1cccnc1)C[C@H](O)c1ccc(C)cc1 ZINC000076015781 374521844 /nfs/dbraw/zinc/52/18/44/374521844.db2.gz KJKONMDQDZUKQY-KRWDZBQOSA-N 1 0 270.376 2.946 50 0 CFAARO CN(CC(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110104 374532549 /nfs/dbraw/zinc/53/25/49/374532549.db2.gz JAZKMCCPRNHFRS-AWEZNQCLSA-N 1 0 268.351 2.705 50 0 CFAARO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2cncn2)o1 ZINC000076145203 374535894 /nfs/dbraw/zinc/53/58/94/374535894.db2.gz ZZMOXGTWEAPLSJ-DZGCQCFKSA-N 1 0 288.395 2.907 50 0 CFAARO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2cncn2)o1 ZINC000076145201 374535977 /nfs/dbraw/zinc/53/59/77/374535977.db2.gz ZZMOXGTWEAPLSJ-UKRRQHHQSA-N 1 0 288.395 2.907 50 0 CFAARO CCc1cnc(CN(C)[C@@H]2CC[N@H+](CC3CCC3)C2)o1 ZINC000078892014 374573935 /nfs/dbraw/zinc/57/39/35/374573935.db2.gz KZWVKONKSLDTLF-CQSZACIVSA-N 1 0 277.412 2.543 50 0 CFAARO COc1cccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000079015299 374582066 /nfs/dbraw/zinc/58/20/66/374582066.db2.gz HSVZOVYWANETIM-AWEZNQCLSA-N 1 0 298.386 2.776 50 0 CFAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000079020749 374583659 /nfs/dbraw/zinc/58/36/59/374583659.db2.gz RVVBSQPSERVZQA-WRSAYESZSA-N 1 0 269.410 2.757 50 0 CFAARO COCC[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000080027548 374638070 /nfs/dbraw/zinc/63/80/70/374638070.db2.gz AZHJYDDLVRZSPG-UHFFFAOYSA-N 1 0 286.375 2.912 50 0 CFAARO Nc1ccc(Br)cc1OCC[NH+]1CCCC1 ZINC000083738933 374755154 /nfs/dbraw/zinc/75/51/54/374755154.db2.gz IEKCXQDKELIIQS-UHFFFAOYSA-N 1 0 285.185 2.506 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@H](CCO)C2)c(Cl)c1 ZINC000083927833 374758447 /nfs/dbraw/zinc/75/84/47/374758447.db2.gz CXEMLBWIIIXIRP-LLVKDONJSA-N 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/nfs/dbraw/zinc/95/94/90/374959490.db2.gz KRPLKLUQTVAUKA-AWEZNQCLSA-N 1 0 298.390 2.618 50 0 CFAARO C[C@@H]([NH2+]Cc1cnnn1C)c1cccc(C(F)(F)F)c1 ZINC000089905166 374966844 /nfs/dbraw/zinc/96/68/44/374966844.db2.gz KAMUHADQXZJYJJ-SECBINFHSA-N 1 0 284.285 2.685 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)[C@H](CC)C1 ZINC000089949099 374977043 /nfs/dbraw/zinc/97/70/43/374977043.db2.gz NNFWMFUKCVELAP-ZIAGYGMSSA-N 1 0 280.437 2.875 50 0 CFAARO CC(C)NC(=O)C[NH2+][C@H]1c2ccccc2SC[C@@H]1C ZINC000089941387 374972034 /nfs/dbraw/zinc/97/20/34/374972034.db2.gz VPXIGKVRFBZFQH-XHDPSFHLSA-N 1 0 278.421 2.584 50 0 CFAARO COC[C@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000093338095 375216691 /nfs/dbraw/zinc/21/66/91/375216691.db2.gz DLCQFZKIMNQRPF-ZDUSSCGKSA-N 1 0 267.344 2.693 50 0 CFAARO C[C@H]1C[C@H](N(C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643706 375282063 /nfs/dbraw/zinc/28/20/63/375282063.db2.gz KCCCPYRKBYLFBM-XHDPSFHLSA-N 1 0 268.351 2.879 50 0 CFAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)cc1 ZINC000095464360 375457755 /nfs/dbraw/zinc/45/77/55/375457755.db2.gz INLHTZWBDWPFNT-MRXNPFEDSA-N 1 0 271.364 2.766 50 0 CFAARO Cc1ccc2cc(NC(=O)NCC[NH+]3CCCC3)ccc2n1 ZINC000095501388 375461288 /nfs/dbraw/zinc/46/12/88/375461288.db2.gz HPWIKCQXSKAVKE-UHFFFAOYSA-N 1 0 298.390 2.761 50 0 CFAARO Cc1cc(C)cc(N2CCN(c3cc[nH+]c(C)c3)CC2=O)c1 ZINC000095526739 375461828 /nfs/dbraw/zinc/46/18/28/375461828.db2.gz UUJCTEKPECYACE-UHFFFAOYSA-N 1 0 295.386 2.860 50 0 CFAARO C[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000095988258 375465163 /nfs/dbraw/zinc/46/51/63/375465163.db2.gz DKRZSJNMPSMZEY-AWEZNQCLSA-N 1 0 278.465 2.992 50 0 CFAARO CC[C@H]1CN(c2cc[nH+]c(C)c2Cl)CCN1CCOC ZINC000096003761 375466492 /nfs/dbraw/zinc/46/64/92/375466492.db2.gz IFHMOMOYNTZZKY-ZDUSSCGKSA-N 1 0 297.830 2.590 50 0 CFAARO C[C@H](C[NH2+][C@H](C)c1cc2ccccc2o1)CS(C)(=O)=O ZINC000096013961 375466908 /nfs/dbraw/zinc/46/69/08/375466908.db2.gz UKCUFTLWSGFYOA-VXGBXAGGSA-N 1 0 295.404 2.764 50 0 CFAARO C[NH+](C)CCCOc1ccc(-c2ccc3[nH]cnc3c2)cn1 ZINC000096136743 375468073 /nfs/dbraw/zinc/46/80/73/375468073.db2.gz GIIHOTZNIZRXJX-UHFFFAOYSA-N 1 0 296.374 2.955 50 0 CFAARO C[C@@H]1CCc2[nH]c3ccc(C(=O)NCC[NH+](C)C)cc3c2C1 ZINC000095349153 375418086 /nfs/dbraw/zinc/41/80/86/375418086.db2.gz PJRPBNTWCAYDJP-GFCCVEGCSA-N 1 0 299.418 2.584 50 0 CFAARO Cc1cnc(NCC[N@@H+]2CC[C@H](c3ccccc3)C2)nc1 ZINC000095359327 375419201 /nfs/dbraw/zinc/41/92/01/375419201.db2.gz XFWLXDBRTZLKMV-INIZCTEOSA-N 1 0 282.391 2.686 50 0 CFAARO COCCC[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095359296 375420185 /nfs/dbraw/zinc/42/01/85/375420185.db2.gz MBFUOROPAUDQLO-INIZCTEOSA-N 1 0 291.439 2.899 50 0 CFAARO CC(C)Cn1cncc1CNc1cc(C(C)C)[nH+]c(N)n1 ZINC000095367340 375420945 /nfs/dbraw/zinc/42/09/45/375420945.db2.gz DVCGUKSIFJIBKO-UHFFFAOYSA-N 1 0 288.399 2.647 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000095366343 375421356 /nfs/dbraw/zinc/42/13/56/375421356.db2.gz MZBDYGIPUSJTAV-NSHDSACASA-N 1 0 288.313 2.597 50 0 CFAARO CCc1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000095381031 375426380 /nfs/dbraw/zinc/42/63/80/375426380.db2.gz YYCQVQRGQSXNLZ-MRXNPFEDSA-N 1 0 282.391 2.725 50 0 CFAARO CSCC1CCN(c2cc(C(C)C)[nH+]c(N)n2)CC1 ZINC000095391378 375429242 /nfs/dbraw/zinc/42/92/42/375429242.db2.gz RWQRSBUJISLMKJ-UHFFFAOYSA-N 1 0 280.441 2.762 50 0 CFAARO Cc1ccccc1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000095395039 375430718 /nfs/dbraw/zinc/43/07/18/375430718.db2.gz YKLQVYHWNOKVJA-UHFFFAOYSA-N 1 0 262.397 2.642 50 0 CFAARO CCc1cccc(C)c1NC(=O)C[N@@H+](CC)C(C)(C)CO ZINC000095405702 375433049 /nfs/dbraw/zinc/43/30/49/375433049.db2.gz BBRXDCYGOWRPKR-UHFFFAOYSA-N 1 0 292.423 2.589 50 0 CFAARO CCC(=O)N1CC[C@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000095416596 375437850 /nfs/dbraw/zinc/43/78/50/375437850.db2.gz IAJAMMGDRGYYKX-LBPRGKRZSA-N 1 0 269.348 2.658 50 0 CFAARO CCc1ccc(CNCC2([NH+]3CCCC3)CCOCC2)o1 ZINC000095415464 375437858 /nfs/dbraw/zinc/43/78/58/375437858.db2.gz YLIBLWSSZLCVID-UHFFFAOYSA-N 1 0 292.423 2.577 50 0 CFAARO CCc1ccc(C[NH2+]CCC(=O)N2CCCC[C@@H]2C)o1 ZINC000095415440 375437980 /nfs/dbraw/zinc/43/79/80/375437980.db2.gz LBOJYMMFLKLLBG-ZDUSSCGKSA-N 1 0 278.396 2.723 50 0 CFAARO Cc1ccccc1C[C@H](C)[NH2+]CCCn1ccnc1 ZINC000095419097 375438864 /nfs/dbraw/zinc/43/88/64/375438864.db2.gz LRMBTUCSRKSKKT-HNNXBMFYSA-N 1 0 257.381 2.802 50 0 CFAARO CC(C)[C@@H]([NH2+]Cc1nnc2n1CCCCC2)C1CC1 ZINC000095419399 375439189 /nfs/dbraw/zinc/43/91/89/375439189.db2.gz URZJLYGHZSHMBG-OAHLLOKOSA-N 1 0 262.401 2.529 50 0 CFAARO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1cccnc1 ZINC000095419068 375439253 /nfs/dbraw/zinc/43/92/53/375439253.db2.gz RBSSJKLNIMEEHV-CQSZACIVSA-N 1 0 283.375 2.613 50 0 CFAARO COc1ccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)cc1 ZINC000095420558 375440917 /nfs/dbraw/zinc/44/09/17/375440917.db2.gz OGSFVHJTUPUMBU-LRDDRELGSA-N 1 0 262.397 2.686 50 0 CFAARO COc1cc(F)c([C@H](C)[NH2+][C@H]2CCCOC2)cc1OC ZINC000095422082 375441403 /nfs/dbraw/zinc/44/14/03/375441403.db2.gz UZLZZMCBDAZXIX-QWRGUYRKSA-N 1 0 283.343 2.673 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)cc1 ZINC000095422507 375441651 /nfs/dbraw/zinc/44/16/51/375441651.db2.gz NPPKQAQPXKIOEA-GDBMZVCRSA-N 1 0 263.381 2.841 50 0 CFAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000095422862 375442860 /nfs/dbraw/zinc/44/28/60/375442860.db2.gz KOMFJWQWZIWNMK-PWSUYJOCSA-N 1 0 296.798 2.620 50 0 CFAARO COCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000095423820 375442878 /nfs/dbraw/zinc/44/28/78/375442878.db2.gz VCXPWAHJOLAPIQ-ZDUSSCGKSA-N 1 0 278.400 2.572 50 0 CFAARO CCN(CC)C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000095431669 375446632 /nfs/dbraw/zinc/44/66/32/375446632.db2.gz XBGBABYWGPVGGP-OIISXLGYSA-N 1 0 276.424 2.837 50 0 CFAARO COC[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000095431525 375447061 /nfs/dbraw/zinc/44/70/61/375447061.db2.gz ROESRNKXLRAXBL-ROUUACIJSA-N 1 0 285.387 2.681 50 0 CFAARO Fc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000095441422 375450871 /nfs/dbraw/zinc/45/08/71/375450871.db2.gz 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/nfs/dbraw/zinc/48/70/05/375487005.db2.gz TUUMERWAXPHPQZ-CVEARBPZSA-N 1 0 254.333 2.701 50 0 CFAARO c1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2cccnc2)cc1 ZINC000096447545 375487478 /nfs/dbraw/zinc/48/74/78/375487478.db2.gz TUUMERWAXPHPQZ-JKSUJKDBSA-N 1 0 254.333 2.701 50 0 CFAARO CSC[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000096478005 375489104 /nfs/dbraw/zinc/48/91/04/375489104.db2.gz ALPJKBYTQKBDDT-HIFRSBDPSA-N 1 0 264.438 2.602 50 0 CFAARO COC(=O)N1CCC([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000097020443 375496170 /nfs/dbraw/zinc/49/61/70/375496170.db2.gz WOBIQCBJGXOAHB-VXGBXAGGSA-N 1 0 268.401 2.632 50 0 CFAARO COC[C@@H](C)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000097045905 375501590 /nfs/dbraw/zinc/50/15/90/375501590.db2.gz CVLIORZSMJPUBU-CQSZACIVSA-N 1 0 294.464 2.991 50 0 CFAARO C[C@H]([NH2+]CC(=O)Nc1ccncc1)[C@@H](C)c1ccccc1 ZINC000097234986 375543679 /nfs/dbraw/zinc/54/36/79/375543679.db2.gz USGKEDCJPLCDHO-KGLIPLIRSA-N 1 0 283.375 2.802 50 0 CFAARO CC[NH+](CC)CCN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000097050873 375504504 /nfs/dbraw/zinc/50/45/04/375504504.db2.gz CAWLYXSOFRYCGN-CQSZACIVSA-N 1 0 264.417 2.505 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1cccc(F)c1 ZINC000097107607 375519700 /nfs/dbraw/zinc/51/97/00/375519700.db2.gz ZPVQWWFWPSTENF-CKXPSTMWSA-N 1 0 290.382 2.830 50 0 CFAARO C[C@H]1CCCC[C@H]1C[N@H+](C)C1CCS(=O)CC1 ZINC000097108476 375521074 /nfs/dbraw/zinc/52/10/74/375521074.db2.gz ZFILPGGGRGTZSI-YRFCHQJDSA-N 1 0 257.443 2.656 50 0 CFAARO COC(=O)C1(C[NH2+]Cc2cccnc2C)CCCCC1 ZINC000097108670 375522121 /nfs/dbraw/zinc/52/21/21/375522121.db2.gz RGDRLIYLXXGXME-UHFFFAOYSA-N 1 0 276.380 2.603 50 0 CFAARO C[C@H](CC(=O)N(C)C)[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000097113399 375524492 /nfs/dbraw/zinc/52/44/92/375524492.db2.gz SEUFAEBMAXGKPZ-OAHLLOKOSA-N 1 0 288.435 2.998 50 0 CFAARO C[N@H+](Cc1cccnc1)Cc1ccc2c(c1)CCO2 ZINC000097113591 375524579 /nfs/dbraw/zinc/52/45/79/375524579.db2.gz HIQIUDIPDTTZFZ-UHFFFAOYSA-N 1 0 254.333 2.649 50 0 CFAARO CCN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000097137046 375527309 /nfs/dbraw/zinc/52/73/09/375527309.db2.gz SKZXLXAORSSPEC-UHFFFAOYSA-N 1 0 287.766 2.895 50 0 CFAARO O[C@H](C[NH2+][C@@H](c1cc(F)ccc1F)C1CC1)C(F)(F)F ZINC000097141848 375528405 /nfs/dbraw/zinc/52/84/05/375528405.db2.gz WFOWRQDTKBARIV-VXGBXAGGSA-N 1 0 295.251 2.929 50 0 CFAARO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccncc1 ZINC000097142208 375528984 /nfs/dbraw/zinc/52/89/84/375528984.db2.gz PTLWJGYBBPKNQV-YJBOKZPZSA-N 1 0 281.403 2.692 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000097272412 375547288 /nfs/dbraw/zinc/54/72/88/375547288.db2.gz FLRMSHAAEXFVLP-OMDKTOEGSA-N 1 0 261.365 2.555 50 0 CFAARO CCOc1ccccc1C[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000097307142 375548998 /nfs/dbraw/zinc/54/89/98/375548998.db2.gz QQLWVVLDNKQHTJ-CQSZACIVSA-N 1 0 285.391 2.938 50 0 CFAARO CO[C@H]1CC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC000097324001 375550238 /nfs/dbraw/zinc/55/02/38/375550238.db2.gz XTVXCEHXUPTCPW-INIZCTEOSA-N 1 0 257.333 2.766 50 0 CFAARO CCOc1cccc2cc([C@@H](C)[NH2+]CC3OCCO3)oc21 ZINC000097374227 375553632 /nfs/dbraw/zinc/55/36/32/375553632.db2.gz XTJSSWZEVYVGBP-LLVKDONJSA-N 1 0 291.347 2.855 50 0 CFAARO CC(C)=CC[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000097373685 375553822 /nfs/dbraw/zinc/55/38/22/375553822.db2.gz FGNLALSNYRWRID-WMLDXEAASA-N 1 0 251.395 2.662 50 0 CFAARO CC(=O)NCCC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000097379787 375557144 /nfs/dbraw/zinc/55/71/44/375557144.db2.gz JKRTXZYKJHTJOY-JKSUJKDBSA-N 1 0 274.408 2.685 50 0 CFAARO CCOc1ccccc1CNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000097575094 375568755 /nfs/dbraw/zinc/56/87/55/375568755.db2.gz OWOACSNAMIPAKW-HNNXBMFYSA-N 1 0 290.407 2.576 50 0 CFAARO CC(C)(CC(=O)NCC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000097604055 375573073 /nfs/dbraw/zinc/57/30/73/375573073.db2.gz NZNBPKHATILBGZ-HNNXBMFYSA-N 1 0 274.408 2.613 50 0 CFAARO OC[C@@]1(O)CCC[N@H+](Cc2csc3ccccc23)CC1 ZINC000097604188 375573492 /nfs/dbraw/zinc/57/34/92/375573492.db2.gz WPIJZGDEOMNHIC-MRXNPFEDSA-N 1 0 291.416 2.611 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCNC(=O)CC(C)(C)c1ccccc1 ZINC000097694801 375579018 /nfs/dbraw/zinc/57/90/18/375579018.db2.gz CWLIQZFAKZJTID-INIZCTEOSA-N 1 0 288.435 2.955 50 0 CFAARO Cc1ccc(-c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)o1 ZINC000097729450 375582522 /nfs/dbraw/zinc/58/25/22/375582522.db2.gz IGTFOVUVHCCRAP-IYBDPMFKSA-N 1 0 296.370 2.546 50 0 CFAARO Cn1cncc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000112343655 375909311 /nfs/dbraw/zinc/90/93/11/375909311.db2.gz LUDWXHKRLAUKDX-ZDUSSCGKSA-N 1 0 277.368 2.886 50 0 CFAARO c1c[n+](COCc2ccccc2)cn1Cc1ccccc1 ZINC000261492857 190039406 /nfs/dbraw/zinc/03/94/06/190039406.db2.gz KEFQWNUUQCLCGY-UHFFFAOYSA-N 1 0 279.363 2.998 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000257645134 190038350 /nfs/dbraw/zinc/03/83/50/190038350.db2.gz BWYLGQMJTISPND-KRWDZBQOSA-N 1 0 272.392 2.519 50 0 CFAARO Cn1cc(C[N@H+](C)C/C=C/c2ccc(F)cc2)cn1 ZINC000119709331 376454900 /nfs/dbraw/zinc/45/49/00/376454900.db2.gz CFNFQYIIWVRENO-ONEGZZNKSA-N 1 0 259.328 2.704 50 0 CFAARO CC(C)[NH2+]C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000125729871 377185676 /nfs/dbraw/zinc/18/56/76/377185676.db2.gz OOSYBHPKLURJSF-VXGBXAGGSA-N 1 0 286.416 2.745 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130203459 377520959 /nfs/dbraw/zinc/52/09/59/377520959.db2.gz ZTKWALOMKQELJY-TUAOUCFPSA-N 1 0 292.345 2.708 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000133490540 377934249 /nfs/dbraw/zinc/93/42/49/377934249.db2.gz WRYMCNZDLAAAOU-SSDOTTSWSA-N 1 0 293.219 2.879 50 0 CFAARO Clc1cccc2c1CCN(CCn1cccn1)C2 ZINC000133884707 377965234 /nfs/dbraw/zinc/96/52/34/377965234.db2.gz OMOMJYJCGAMUPQ-UHFFFAOYSA-N 1 0 261.756 2.595 50 0 CFAARO C[C@@H](Cc1ccccc1F)[NH2+]Cc1nnc2ccccn21 ZINC000134123628 377985529 /nfs/dbraw/zinc/98/55/29/377985529.db2.gz CLMFWRXVNCQWEM-LBPRGKRZSA-N 1 0 284.338 2.589 50 0 CFAARO Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000136832052 378210984 /nfs/dbraw/zinc/21/09/84/378210984.db2.gz RXNWDGOQBSECFP-CHWSQXEVSA-N 1 0 251.345 2.727 50 0 CFAARO C/C(=C/C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC000154274746 378554291 /nfs/dbraw/zinc/55/42/91/378554291.db2.gz QGWYFDQXQCYLFW-BCJNBQOMSA-N 1 0 294.345 2.577 50 0 CFAARO Oc1ccccc1C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000165857916 379044893 /nfs/dbraw/zinc/04/48/93/379044893.db2.gz YYEPYDZORNOKCQ-UHFFFAOYSA-N 1 0 283.371 2.876 50 0 CFAARO Cc1cnc(-c2ccccc2)n1C[C@@H]1CCC[NH2+]C1 ZINC000169676751 379107627 /nfs/dbraw/zinc/10/76/27/379107627.db2.gz XZYYDISDJKVDNC-CQSZACIVSA-N 1 0 255.365 2.858 50 0 CFAARO Cc1cnc(C[C@H]2CCC[NH2+]C2)n1Cc1ccc(F)cc1 ZINC000169676618 379107983 /nfs/dbraw/zinc/10/79/83/379107983.db2.gz SHSQTSLQBRPQRT-OAHLLOKOSA-N 1 0 287.382 2.921 50 0 CFAARO C[C@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000170617590 379130720 /nfs/dbraw/zinc/13/07/20/379130720.db2.gz XWIBCLLRUOHOSS-SUMWQHHRSA-N 1 0 251.395 2.526 50 0 CFAARO CC1CCC([N@H+](C)CC(=O)NCc2ccc(F)cc2)CC1 ZINC000170073627 379115201 /nfs/dbraw/zinc/11/52/01/379115201.db2.gz MLAMSSKBOAOUIT-UHFFFAOYSA-N 1 0 292.398 2.952 50 0 CFAARO Cc1cc(N[C@@H]2CCc3c2cccc3F)nc(N)[nH+]1 ZINC000048962682 412927993 /nfs/dbraw/zinc/92/79/93/412927993.db2.gz IRQOXECHQFVPEJ-GFCCVEGCSA-N 1 0 258.300 2.606 50 0 CFAARO Cn1c(CCC[NH2+][C@@H]2CCSC2)nc2ccccc21 ZINC000181021010 380726588 /nfs/dbraw/zinc/72/65/88/380726588.db2.gz MIWKPHMGKUMGFV-GFCCVEGCSA-N 1 0 275.421 2.601 50 0 CFAARO O=C(O[C@H]1C[NH+]2CCC1CC2)c1ccc(Cl)cc1 ZINC000000135966 169549652 /nfs/dbraw/zinc/54/96/52/169549652.db2.gz OBJXBGVRIMAFOI-ZDUSSCGKSA-N 1 0 265.740 2.591 50 0 CFAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCN(C(=O)C(C)C)C1 ZINC000409420973 380959473 /nfs/dbraw/zinc/95/94/73/380959473.db2.gz PMIMNJLHFQCTEE-AWEZNQCLSA-N 1 0 289.423 2.964 50 0 CFAARO Cc1cnc(-c2ccccc2)n1C1C[NH+](C2CCOCC2)C1 ZINC000409420922 380959916 /nfs/dbraw/zinc/95/99/16/380959916.db2.gz DJICHOMUUMQUGQ-UHFFFAOYSA-N 1 0 297.402 2.894 50 0 CFAARO C[C@H](CC[N@H+]1CCN(C[C@H](C)O)C[C@H]1C)c1ccccc1 ZINC000408515556 380935873 /nfs/dbraw/zinc/93/58/73/380935873.db2.gz BRLQJCNQEKRTJM-ZACQAIPSSA-N 1 0 290.451 2.567 50 0 CFAARO C[C@H]([NH2+]Cc1ccnc(Br)c1)[C@@H]1CCCOC1 ZINC000408518052 380936089 /nfs/dbraw/zinc/93/60/89/380936089.db2.gz SMQIGNWGCCKBTG-CMPLNLGQSA-N 1 0 299.212 2.749 50 0 CFAARO CC(C)C[C@H](C[NH3+])CC(=O)OCCc1ccccc1 ZINC000408525735 380942676 /nfs/dbraw/zinc/94/26/76/380942676.db2.gz ZEVKUBDKEGRSRN-HNNXBMFYSA-N 1 0 263.381 2.783 50 0 CFAARO CCOC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000000215773 169578053 /nfs/dbraw/zinc/57/80/53/169578053.db2.gz PFUUDRIERFHNOV-RMKNXTFCSA-N 1 0 273.376 2.975 50 0 CFAARO COc1ccc(/C=C/c2cc[n+](C)cc2)c(OC)c1 ZINC000000342498 169612100 /nfs/dbraw/zinc/61/21/00/169612100.db2.gz QVOVLAVCOSBUQG-SNAWJCMRSA-N 1 0 256.325 2.699 50 0 CFAARO CO[C@]12CC[N@H+](Cc3sccc3C)[C@H]1C[C@H](O)CC2 ZINC000299773783 382046720 /nfs/dbraw/zinc/04/67/20/382046720.db2.gz HXQPJGZLFUMCHD-VHDGCEQUSA-N 1 0 281.421 2.561 50 0 CFAARO COC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1Cc1ccccc1 ZINC000299791301 382048150 /nfs/dbraw/zinc/04/81/50/382048150.db2.gz CVNICRBBOSZMDF-MSOLQXFVSA-N 1 0 288.435 2.762 50 0 CFAARO CC(C)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000299797295 382050401 /nfs/dbraw/zinc/05/04/01/382050401.db2.gz NBEZLEOENXZGJL-AWEZNQCLSA-N 1 0 261.369 2.684 50 0 CFAARO Cn1ccc(C[NH+]2CCC(c3ccccc3)CC2)cc1=O ZINC000299851502 382051013 /nfs/dbraw/zinc/05/10/13/382051013.db2.gz FROBUHYIBSYZFZ-UHFFFAOYSA-N 1 0 282.387 2.765 50 0 CFAARO Cc1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274363 382077174 /nfs/dbraw/zinc/07/71/74/382077174.db2.gz ADTGALUMSOTMAN-KRWDZBQOSA-N 1 0 275.392 2.876 50 0 CFAARO Cc1n(Cc2ccccc2)nc[n+]1-c1ccc(N(C)C)cc1 ZINC000000401334 169631336 /nfs/dbraw/zinc/63/13/36/169631336.db2.gz CGBRIEGVSIIYKZ-UHFFFAOYSA-N 1 0 293.394 2.583 50 0 CFAARO O[C@H](COc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000000437674 169640478 /nfs/dbraw/zinc/64/04/78/169640478.db2.gz ZGMJRMLXHLGNFX-ZDUSSCGKSA-N 1 0 269.772 2.566 50 0 CFAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000000461655 169647014 /nfs/dbraw/zinc/64/70/14/169647014.db2.gz SMXVTZJXOQAMLM-KRWDZBQOSA-N 1 0 286.419 2.829 50 0 CFAARO c1ccc(CCC[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000019371121 184534414 /nfs/dbraw/zinc/53/44/14/184534414.db2.gz DZAIFNZNWYGGPA-UHFFFAOYSA-N 1 0 295.430 2.832 50 0 CFAARO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000189474527 382613259 /nfs/dbraw/zinc/61/32/59/382613259.db2.gz HZYUJJFVKAFJDC-WCQYABFASA-N 1 0 284.762 2.613 50 0 CFAARO CC(C)OC1CC([NH2+]C[C@H](CCO)c2ccccc2)C1 ZINC000189539923 382621219 /nfs/dbraw/zinc/62/12/19/382621219.db2.gz PMQUOCPLITVNMW-GTPINHCMSA-N 1 0 277.408 2.698 50 0 CFAARO CC[NH+]1CCN(c2cccc(N[C@H]3CCSC3)c2)CC1 ZINC000190968411 382686927 /nfs/dbraw/zinc/68/69/27/382686927.db2.gz CTVNXKQQYKLOET-HNNXBMFYSA-N 1 0 291.464 2.746 50 0 CFAARO CCn1cc(C[NH2+]CCc2ccc(F)c(F)c2)cn1 ZINC000190287613 382660673 /nfs/dbraw/zinc/66/06/73/382660673.db2.gz VCLCVOHHJMKQIK-UHFFFAOYSA-N 1 0 265.307 2.514 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000191363922 382699079 /nfs/dbraw/zinc/69/90/79/382699079.db2.gz ULLZZGMDYFTKLL-GMTAPVOTSA-N 1 0 296.773 2.532 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCN(C2CCOCC2)CC1 ZINC000191076770 382690291 /nfs/dbraw/zinc/69/02/91/382690291.db2.gz AXEIYHPMRVJNND-SJLPKXTDSA-N 1 0 292.467 2.775 50 0 CFAARO CCN(C(=O)CC[NH3+])[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000195542433 382769065 /nfs/dbraw/zinc/76/90/65/382769065.db2.gz PRQWHMGSRVWFHZ-SNVBAGLBSA-N 1 0 288.313 2.964 50 0 CFAARO OC1(C[NH2+]Cc2cccc(Cl)c2F)CCSCC1 ZINC000195539395 382769093 /nfs/dbraw/zinc/76/90/93/382769093.db2.gz BIMGYTDIVTYXTH-UHFFFAOYSA-N 1 0 289.803 2.827 50 0 CFAARO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1F ZINC000195553583 382769794 /nfs/dbraw/zinc/76/97/94/382769794.db2.gz YOOYSCQODXIZLZ-INIZCTEOSA-N 1 0 294.414 2.977 50 0 CFAARO Cc1ccc(C(=O)NCCn2c(C)c[nH+]c2C2CC2)s1 ZINC000575553840 382773651 /nfs/dbraw/zinc/77/36/51/382773651.db2.gz KFWKPJOHBGEENC-UHFFFAOYSA-N 1 0 289.404 2.869 50 0 CFAARO CCCn1cc(C[N@H+](C)CC2(CO)CCCC2)c(C)n1 ZINC000215009205 382777691 /nfs/dbraw/zinc/77/76/91/382777691.db2.gz PVCRPCDOKZXRRF-UHFFFAOYSA-N 1 0 279.428 2.586 50 0 CFAARO Fc1ccccc1-c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000215234628 382778112 /nfs/dbraw/zinc/77/81/12/382778112.db2.gz ADIBXRVDHHAAIB-BETUJISGSA-N 1 0 286.350 2.737 50 0 CFAARO COC[C@@H]1CC[N@H+](Cc2cnc(-c3cccs3)nc2)C1 ZINC000215474562 382778916 /nfs/dbraw/zinc/77/89/16/382778916.db2.gz FDXSNHWMJXYXSS-GFCCVEGCSA-N 1 0 289.404 2.673 50 0 CFAARO CC(C)Nc1ncc(C[N@H+](C)C2CCSCC2)cn1 ZINC000215531472 382779257 /nfs/dbraw/zinc/77/92/57/382779257.db2.gz BDZBBMPYBOUVDG-UHFFFAOYSA-N 1 0 280.441 2.624 50 0 CFAARO CCn1ccnc1CN(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000215591206 382779782 /nfs/dbraw/zinc/77/97/82/382779782.db2.gz JKBSPYRBRDHFQD-UHFFFAOYSA-N 1 0 278.444 2.644 50 0 CFAARO CCOc1cc2c(cc1CN1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000215699957 382780118 /nfs/dbraw/zinc/78/01/18/382780118.db2.gz HFGYBFQJBNLYRI-CQSZACIVSA-N 1 0 288.435 2.710 50 0 CFAARO Cc1ccc(CCCNC(=O)C[C@H]2CCCC[N@H+]2C)cc1 ZINC000215771178 382780283 /nfs/dbraw/zinc/78/02/83/382780283.db2.gz LHTBHTKQNRANRO-QGZVFWFLSA-N 1 0 288.435 2.918 50 0 CFAARO CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccc3[nH]ccc32)C1 ZINC000215890341 382780877 /nfs/dbraw/zinc/78/08/77/382780877.db2.gz LCRZPNVKXOTKBC-CQSZACIVSA-N 1 0 271.408 2.942 50 0 CFAARO CN(C)c1ccc(C[N@H+](C)CCC[C@@H]2CCCO2)cn1 ZINC000215837293 382780892 /nfs/dbraw/zinc/78/08/92/382780892.db2.gz ARWXPSHLTJQOMA-OAHLLOKOSA-N 1 0 277.412 2.539 50 0 CFAARO CC(=O)c1cc(C[N@@H+](C)[C@H](C)Cc2ccccn2)n(C)c1 ZINC000215795591 382780936 /nfs/dbraw/zinc/78/09/36/382780936.db2.gz IFLMCDBTWZCRNS-CYBMUJFWSA-N 1 0 285.391 2.686 50 0 CFAARO CCc1ncc(C[N@@H+]2CCC[C@@]3(CCCO3)CC2)cn1 ZINC000216093176 382782105 /nfs/dbraw/zinc/78/21/05/382782105.db2.gz VQKORNHTNASSLR-MRXNPFEDSA-N 1 0 275.396 2.574 50 0 CFAARO CCc1ncc(C[N@@H+]2CCC[C@]3(CCCO3)CC2)cn1 ZINC000216093223 382782178 /nfs/dbraw/zinc/78/21/78/382782178.db2.gz VQKORNHTNASSLR-INIZCTEOSA-N 1 0 275.396 2.574 50 0 CFAARO C[NH+](C)[C@@H]1CCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000216280533 382782490 /nfs/dbraw/zinc/78/24/90/382782490.db2.gz MIOMBGWDYDFNFW-CQSZACIVSA-N 1 0 287.432 2.946 50 0 CFAARO CN(CC[NH+](C)C)Cc1ccc2cccc(Cl)c2n1 ZINC000218830980 382790977 /nfs/dbraw/zinc/79/09/77/382790977.db2.gz JYGRSOKJOBYAIB-UHFFFAOYSA-N 1 0 277.799 2.882 50 0 CFAARO Cc1ccc(CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000194301312 382739548 /nfs/dbraw/zinc/73/95/48/382739548.db2.gz QGLYFGIHUXUCMV-CYBMUJFWSA-N 1 0 295.427 2.706 50 0 CFAARO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc2c(c1)CCCC2 ZINC000221248647 382797710 /nfs/dbraw/zinc/79/77/10/382797710.db2.gz SZVFLHHOXPBQDC-QGZVFWFLSA-N 1 0 286.419 2.732 50 0 CFAARO CC[N@@H+]1CC[C@@H](Nc2cccc3c2OCCO3)[C@@H](C)C1 ZINC000221871277 382799857 /nfs/dbraw/zinc/79/98/57/382799857.db2.gz AIJCHPNYHMWZHA-QWHCGFSZSA-N 1 0 276.380 2.600 50 0 CFAARO C[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1ccco1 ZINC000222112327 382800767 /nfs/dbraw/zinc/80/07/67/382800767.db2.gz UGZQGNATNXPSAO-YDHLFZDLSA-N 1 0 259.349 2.922 50 0 CFAARO C[C@@H](c1ccc(F)cc1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000222064960 382800809 /nfs/dbraw/zinc/80/08/09/382800809.db2.gz YPYAKHUBXKRALR-STQMWFEESA-N 1 0 250.361 2.770 50 0 CFAARO COc1ccc(-c2ccnc(C3CC[NH2+]CC3)n2)cc1 ZINC000222179886 382801208 /nfs/dbraw/zinc/80/12/08/382801208.db2.gz FHOYECABJATWIF-UHFFFAOYSA-N 1 0 269.348 2.619 50 0 CFAARO COc1cccc2c1CC[N@H+](Cc1c[nH]c3nccnc13)C2 ZINC000225423087 382815870 /nfs/dbraw/zinc/81/58/70/382815870.db2.gz DEWDRMQPWBFNPS-UHFFFAOYSA-N 1 0 294.358 2.525 50 0 CFAARO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(F)cc1 ZINC000225452527 382816174 /nfs/dbraw/zinc/81/61/74/382816174.db2.gz UGGROGRDXRHLQA-AWEZNQCLSA-N 1 0 259.328 2.726 50 0 CFAARO [NH3+]CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000225446790 382816402 /nfs/dbraw/zinc/81/64/02/382816402.db2.gz RYNWSUVHVSKXTC-UHFFFAOYSA-N 1 0 280.780 2.757 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000229385009 382851516 /nfs/dbraw/zinc/85/15/16/382851516.db2.gz ODFPTXGCNGHMSJ-KBPBESRZSA-N 1 0 278.783 2.697 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)c1cccnc1 ZINC000229555710 382852181 /nfs/dbraw/zinc/85/21/81/382852181.db2.gz NRNAWPNJVANNJB-IAOVAPTHSA-N 1 0 287.407 2.618 50 0 CFAARO CC[C@@H](CSc1ccccc1)NC(=O)C1CC[NH2+]CC1 ZINC000237008971 382943707 /nfs/dbraw/zinc/94/37/07/382943707.db2.gz YTEARJZDCXXXOZ-AWEZNQCLSA-N 1 0 292.448 2.673 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237097773 382950360 /nfs/dbraw/zinc/95/03/60/382950360.db2.gz QBUWHWSGWMBYCW-YPMHNXCESA-N 1 0 284.762 2.565 50 0 CFAARO O=C(c1cc(F)c(Cl)cc1Cl)N1CCC[NH2+]CC1 ZINC000237908468 382973142 /nfs/dbraw/zinc/97/31/42/382973142.db2.gz XDBMWLMZHHVWQU-UHFFFAOYSA-N 1 0 291.153 2.568 50 0 CFAARO [NH3+][C@H]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 ZINC000237885580 382973530 /nfs/dbraw/zinc/97/35/30/382973530.db2.gz IRMSTHICMWGCRA-HOCLYGCPSA-N 1 0 290.382 2.692 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000237963418 382974981 /nfs/dbraw/zinc/97/49/81/382974981.db2.gz YGZMGFYASNRVAZ-ZETCQYMHSA-N 1 0 291.153 2.696 50 0 CFAARO COCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(C)c1 ZINC000240517171 382982698 /nfs/dbraw/zinc/98/26/98/382982698.db2.gz NWFAKVZWSRIURR-UHFFFAOYSA-N 1 0 298.814 2.944 50 0 CFAARO COCCCCc1noc([C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000241965613 382984779 /nfs/dbraw/zinc/98/47/79/382984779.db2.gz UUJLNPTYYVLBBG-AVGNSLFASA-N 1 0 281.400 2.973 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCSc1nc(=O)ccn1C1CC1 ZINC000242302077 382985388 /nfs/dbraw/zinc/98/53/88/382985388.db2.gz YPIWXGLXOPEAFO-GFCCVEGCSA-N 1 0 293.436 2.545 50 0 CFAARO FCCCCCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000244594148 382989322 /nfs/dbraw/zinc/98/93/22/382989322.db2.gz DHHDNYHWWJBPED-UHFFFAOYSA-N 1 0 290.426 2.911 50 0 CFAARO COc1cc(C)ccc1OCC[N@H+](C)C[C@H]1CCCCO1 ZINC000244707934 382990634 /nfs/dbraw/zinc/99/06/34/382990634.db2.gz KKJASWAGHFGOMM-OAHLLOKOSA-N 1 0 293.407 2.883 50 0 CFAARO COc1c[nH]c(C[N@H+](C)[C@@H](C)c2ccccc2)cc1=O ZINC000244735028 382991779 /nfs/dbraw/zinc/99/17/79/382991779.db2.gz NRTPTTSILSNMJH-LBPRGKRZSA-N 1 0 272.348 2.989 50 0 CFAARO CN1CCC[C@H]1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000244840257 382992672 /nfs/dbraw/zinc/99/26/72/382992672.db2.gz UJYJTDBDMDXKLZ-KRWDZBQOSA-N 1 0 288.435 2.762 50 0 CFAARO COCC[N@@H+](Cc1nc2cc(C)ccc2[nH]1)CC1CC1 ZINC000244794860 382992845 /nfs/dbraw/zinc/99/28/45/382992845.db2.gz QVEWOXPLXSDILB-UHFFFAOYSA-N 1 0 273.380 2.730 50 0 CFAARO Cc1cc(C)c(CNC(=O)c2ccnc(C(C)C)n2)cn1 ZINC000244816866 382992923 /nfs/dbraw/zinc/99/29/23/382992923.db2.gz SPWXYDZFLUIHIR-UHFFFAOYSA-N 1 0 284.363 2.542 50 0 CFAARO COCCn1cncc1C[N@@H+]1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000244828531 382993420 /nfs/dbraw/zinc/99/34/20/382993420.db2.gz TXWMMWICRCRXEH-RHSMWYFYSA-N 1 0 291.439 2.930 50 0 CFAARO COC[C@H]1CCC[N@@H+]1CCCOc1ccc(OC)cc1 ZINC000244874679 382994493 /nfs/dbraw/zinc/99/44/93/382994493.db2.gz XFNAITNWDOFGJB-CQSZACIVSA-N 1 0 279.380 2.575 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@H]1COc2ccccc21 ZINC000245312409 382997772 /nfs/dbraw/zinc/99/77/72/382997772.db2.gz JBEYXVNBVLUBCJ-MAZHCROVSA-N 1 0 297.402 2.952 50 0 CFAARO Clc1nc2ccccn2c1C[NH2+]C[C@H]1CCCOC1 ZINC000237805342 382971321 /nfs/dbraw/zinc/97/13/21/382971321.db2.gz BTWOAQFMUPZCHR-LLVKDONJSA-N 1 0 279.771 2.504 50 0 CFAARO CCOc1ccc([C@@H]2C[C@H]2[NH2+]Cc2cnn(CC)c2)cc1 ZINC000585118338 383114878 /nfs/dbraw/zinc/11/48/78/383114878.db2.gz KYORIAOIWOPDRX-DLBZAZTESA-N 1 0 285.391 2.947 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccoc1C ZINC000248036231 383207751 /nfs/dbraw/zinc/20/77/51/383207751.db2.gz QXWQBHLVBLLNHI-LSDHHAIUSA-N 1 0 276.380 2.677 50 0 CFAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000247370870 383168223 /nfs/dbraw/zinc/16/82/23/383168223.db2.gz RVFGTBBXFKZXKW-ZSHCYNCHSA-N 1 0 290.407 2.524 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249095419 383326940 /nfs/dbraw/zinc/32/69/40/383326940.db2.gz ICKOUAFUHCMKPK-RGPZOAQRSA-N 1 0 279.449 2.754 50 0 CFAARO O=C1C[C@H](C[NH2+]Cc2ccccc2)c2ccccc2N1 ZINC000521322156 383293887 /nfs/dbraw/zinc/29/38/87/383293887.db2.gz PXIJBSMGHOHBNN-CQSZACIVSA-N 1 0 266.344 2.902 50 0 CFAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC=CC1 ZINC000248859610 383299304 /nfs/dbraw/zinc/29/93/04/383299304.db2.gz PPQZYQWXXYHCCV-RHSMWYFYSA-N 1 0 284.403 2.589 50 0 CFAARO CC(C)[NH2+]C1CCN(c2ncccc2Br)CC1 ZINC000252505725 383415187 /nfs/dbraw/zinc/41/51/87/383415187.db2.gz VTFBYGJNMPVHTR-UHFFFAOYSA-N 1 0 298.228 2.811 50 0 CFAARO Cc1nc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)n(C)n1 ZINC000426412702 383399009 /nfs/dbraw/zinc/39/90/09/383399009.db2.gz NCVHLGOFOWJVFQ-OAHLLOKOSA-N 1 0 284.407 2.749 50 0 CFAARO c1cnn(CC[N@@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000426398080 383399045 /nfs/dbraw/zinc/39/90/45/383399045.db2.gz RCQMBIUJAWEVOV-HNNXBMFYSA-N 1 0 256.353 2.505 50 0 CFAARO O[C@@H]1c2ccc(-c3cccnc3)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426484782 383402092 /nfs/dbraw/zinc/40/20/92/383402092.db2.gz MYGLUMSONUPJRD-SJLPKXTDSA-N 1 0 296.370 2.639 50 0 CFAARO Clc1cnc(-n2cccc2)c(C2=CC[NH2+]CC2)c1 ZINC000426503217 383403009 /nfs/dbraw/zinc/40/30/09/383403009.db2.gz DWBIEULYZUURTB-UHFFFAOYSA-N 1 0 259.740 2.902 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cc2cc(F)ccc2o1 ZINC000426550663 383405478 /nfs/dbraw/zinc/40/54/78/383405478.db2.gz RFXITIOTPPQMAT-CYBMUJFWSA-N 1 0 290.338 2.786 50 0 CFAARO CC(C)(C(=O)NCc1cc2ccccc2[nH]1)[NH+]1CCCC1 ZINC000426563011 383405578 /nfs/dbraw/zinc/40/55/78/383405578.db2.gz CSXMVBDLMXXLDJ-UHFFFAOYSA-N 1 0 285.391 2.659 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-c2ccncc2)cc1 ZINC000426578577 383406803 /nfs/dbraw/zinc/40/68/03/383406803.db2.gz KPMBSVUWSZDIPG-KRWDZBQOSA-N 1 0 295.386 2.702 50 0 CFAARO CO[C@@H]1CC[C@H]2OCC[N@H+](CCSC(C)(C)C)[C@@H]2C1 ZINC000252489476 383413108 /nfs/dbraw/zinc/41/31/08/383413108.db2.gz JRTAWNCELQBPRA-MGPQQGTHSA-N 1 0 287.469 2.786 50 0 CFAARO Cc1ccccc1[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1CC1 ZINC000252499419 383413967 /nfs/dbraw/zinc/41/39/67/383413967.db2.gz SAILRKHNPQLPLC-WFASDCNBSA-N 1 0 260.381 2.512 50 0 CFAARO C[N@H+](Cc1cc(Br)no1)C1CCCC1 ZINC000253393433 383454257 /nfs/dbraw/zinc/45/42/57/383454257.db2.gz BYAIKBSAXTYDBE-UHFFFAOYSA-N 1 0 259.147 2.812 50 0 CFAARO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nccc(OC)c1OC ZINC000253393848 383454458 /nfs/dbraw/zinc/45/44/58/383454458.db2.gz VZBOYSHMEGXNAX-FZMZJTMJSA-N 1 0 296.436 2.863 50 0 CFAARO CCn1nccc1CC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000253420886 383459091 /nfs/dbraw/zinc/45/90/91/383459091.db2.gz NGOZKEABIFDXFE-YJBOKZPZSA-N 1 0 299.418 2.908 50 0 CFAARO CC[C@H]([NH3+])C(=O)N(CCC(F)(F)F)C1CCCCC1 ZINC000253430910 383460077 /nfs/dbraw/zinc/46/00/77/383460077.db2.gz GEEQVNILXDQLRC-NSHDSACASA-N 1 0 280.334 2.837 50 0 CFAARO [NH3+][C@@H]1CC[C@H]2CN(Cc3ncc(-c4ccccc4)s3)C[C@@H]12 ZINC000252552538 383419924 /nfs/dbraw/zinc/41/99/24/383419924.db2.gz UVTCEELAJRNNTR-RRFJBIMHSA-N 1 0 299.443 2.979 50 0 CFAARO C[NH+]1CCC(Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000257175205 383489867 /nfs/dbraw/zinc/48/98/67/383489867.db2.gz ANEPAPHNPZUJOJ-UHFFFAOYSA-N 1 0 286.419 2.807 50 0 CFAARO Cc1cnc(-c2cccnc2)n1CCC1CC[NH2+]CC1 ZINC000257192638 383493763 /nfs/dbraw/zinc/49/37/63/383493763.db2.gz QUQVUQWJRUBGME-UHFFFAOYSA-N 1 0 270.380 2.643 50 0 CFAARO CC(C)(C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822978 383565361 /nfs/dbraw/zinc/56/53/61/383565361.db2.gz UCYDREJYABIKKT-CQSZACIVSA-N 1 0 274.408 2.550 50 0 CFAARO Cn1cc(CC[N@H+](Cc2ccc(F)cc2F)C2CC2)cn1 ZINC000265567548 383946712 /nfs/dbraw/zinc/94/67/12/383946712.db2.gz GTPSBSSKRLQSQX-UHFFFAOYSA-N 1 0 291.345 2.905 50 0 CFAARO Cn1cncc1C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000112340496 412990089 /nfs/dbraw/zinc/99/00/89/412990089.db2.gz XIKARMBRPOHWEB-QWRGUYRKSA-N 1 0 261.291 2.631 50 0 CFAARO O=c1ccccn1CCCC[NH2+][C@@H]1CCc2ccccc21 ZINC000119210750 412994013 /nfs/dbraw/zinc/99/40/13/412994013.db2.gz KAVZEPOVAFMTBY-QGZVFWFLSA-N 1 0 282.387 2.906 50 0 CFAARO COC(=O)[C@H]1CC[NH2+][C@H]1c1c(Cl)cccc1Cl ZINC000057330630 291876568 /nfs/dbraw/zinc/87/65/68/291876568.db2.gz OJCNQXAYXHHTBC-WRWORJQWSA-N 1 0 274.147 2.817 50 0 CFAARO c1ccc(N2CC[C@@H](Nc3nc4ccccc4[nH]3)C2)nc1 ZINC000270562992 385147497 /nfs/dbraw/zinc/14/74/97/385147497.db2.gz KGMJTUYAKWUMRU-GFCCVEGCSA-N 1 0 279.347 2.649 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)nn1 ZINC000283276477 385452534 /nfs/dbraw/zinc/45/25/34/385452534.db2.gz WVXUKZCKFIMNNP-OAHLLOKOSA-N 1 0 298.390 2.562 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052655 260006366 /nfs/dbraw/zinc/00/63/66/260006366.db2.gz RIIVBOZFETVGJI-ZDUSSCGKSA-N 1 0 290.436 2.712 50 0 CFAARO CSCc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000237385546 256850996 /nfs/dbraw/zinc/85/09/96/256850996.db2.gz HLKPYTOSDACDGT-FZMZJTMJSA-N 1 0 278.421 2.501 50 0 CFAARO C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000237370039 256851033 /nfs/dbraw/zinc/85/10/33/256851033.db2.gz JCWUWWSTHPFDCC-NFAWXSAZSA-N 1 0 260.381 2.724 50 0 CFAARO Cc1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000237483715 256851861 /nfs/dbraw/zinc/85/18/61/256851861.db2.gz OSBRMCURUYIRPX-LJXRPBPOSA-N 1 0 292.810 3.000 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648789 256867983 /nfs/dbraw/zinc/86/79/83/256867983.db2.gz RIJFNUHYNBVLOZ-QVHKTLOISA-N 1 0 284.359 2.655 50 0 CFAARO CN(C)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020102837 256874087 /nfs/dbraw/zinc/87/40/87/256874087.db2.gz CTLSMMRHFCOUDK-UHFFFAOYSA-N 1 0 280.799 2.640 50 0 CFAARO C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccccc1N(C)C ZINC000093941915 184745035 /nfs/dbraw/zinc/74/50/35/184745035.db2.gz OBSWWRDZDPWWRZ-DOMZBBRYSA-N 1 0 274.364 2.730 50 0 CFAARO CC[NH+]1CCC(CC(=O)N[C@@H](C)c2ccc(C)nc2)CC1 ZINC000095386832 184962852 /nfs/dbraw/zinc/96/28/52/184962852.db2.gz PJYFRRNDIFJHLG-AWEZNQCLSA-N 1 0 289.423 2.689 50 0 CFAARO O[C@H](C[NH2+][C@@H]1CCc2ccccc2C1)c1ccsc1 ZINC000095422945 184977477 /nfs/dbraw/zinc/97/74/77/184977477.db2.gz XCMCDJOHDACUJP-HZPDHXFCSA-N 1 0 273.401 2.929 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000095448793 184989444 /nfs/dbraw/zinc/98/94/44/184989444.db2.gz HYAVTGWCTKCQBN-ZDUSSCGKSA-N 1 0 268.426 2.872 50 0 CFAARO Cc1cccc(NC[C@@H]2CCN(Cc3cscn3)C2)[nH+]1 ZINC000237748628 131055028 /nfs/dbraw/zinc/05/50/28/131055028.db2.gz KKXUTGHAGJWWQU-ZDUSSCGKSA-N 1 0 288.420 2.781 50 0 CFAARO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000245316864 131085495 /nfs/dbraw/zinc/08/54/95/131085495.db2.gz KYLMXVANZPRWHC-GDBMZVCRSA-N 1 0 291.366 2.899 50 0 CFAARO C[C@H](C[NH3+])N(C)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000252586272 131136045 /nfs/dbraw/zinc/13/60/45/131136045.db2.gz OPKQTCSVNAYIHM-OAUYIBNBSA-N 1 0 282.387 2.749 50 0 CFAARO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732282 285506463 /nfs/dbraw/zinc/50/64/63/285506463.db2.gz QFAFXPKXIWHURV-WBVHZDCISA-N 1 0 294.402 2.723 50 0 CFAARO O=C(c1ccccc1)c1ccc(N2C=NCC2)cc1 ZINC000019909452 393484151 /nfs/dbraw/zinc/48/41/51/393484151.db2.gz FBDHPCOQYXORAB-UHFFFAOYSA-N 1 0 250.301 2.766 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005651076 393460473 /nfs/dbraw/zinc/46/04/73/393460473.db2.gz DOOALPDOSJGYOU-IXRCJPEJSA-N 1 0 295.467 2.968 50 0 CFAARO COc1cccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020167288 393486116 /nfs/dbraw/zinc/48/61/16/393486116.db2.gz ZSGDBSFUHNUNLB-GJZGRUSLSA-N 1 0 293.407 2.963 50 0 CFAARO CC[C@H](CNC(=O)c1ccco1)[N@@H+]1CCc2ccccc2C1 ZINC000032445806 393512488 /nfs/dbraw/zinc/51/24/88/393512488.db2.gz YDPQUWNBRQDBIY-MRXNPFEDSA-N 1 0 298.386 2.846 50 0 CFAARO Cc1cccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1C ZINC000063192677 393628375 /nfs/dbraw/zinc/62/83/75/393628375.db2.gz JZSWDWIRWOPOFE-HIFRSBDPSA-N 1 0 260.381 2.645 50 0 CFAARO CCOC(=O)N1CCC([N@H+](C)[C@H](C)c2ccncc2)CC1 ZINC000065465499 393631380 /nfs/dbraw/zinc/63/13/80/393631380.db2.gz MHQCTOWYDRRJSL-CYBMUJFWSA-N 1 0 291.395 2.695 50 0 CFAARO CC[C@H]1c2ccsc2CCN1C(=O)NC[C@@H](C)[NH+](C)C ZINC000065440459 393631875 /nfs/dbraw/zinc/63/18/75/393631875.db2.gz WIVBHDFVFRJNKY-YPMHNXCESA-N 1 0 295.452 2.717 50 0 CFAARO Cc1cc2c(c(-c3nc4ccccc4[nH]3)c1)O[C@H](C[NH3+])C2 ZINC000067894481 393634592 /nfs/dbraw/zinc/63/45/92/393634592.db2.gz SUQVFCYPICCTER-LBPRGKRZSA-N 1 0 279.343 2.801 50 0 CFAARO CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000071883381 393641601 /nfs/dbraw/zinc/64/16/01/393641601.db2.gz FSZRAIPZYLSNIH-LBPRGKRZSA-N 1 0 252.402 2.556 50 0 CFAARO Cc1cc(N2CCC(c3ncc[nH]3)CC2)cc(C)[nH+]1 ZINC000072408473 393650569 /nfs/dbraw/zinc/65/05/69/393650569.db2.gz XECRVGABDCFJCX-UHFFFAOYSA-N 1 0 256.353 2.806 50 0 CFAARO CC(C)(O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000096441656 393833808 /nfs/dbraw/zinc/83/38/08/393833808.db2.gz QTTOBDWZSKPAEH-ZDUSSCGKSA-N 1 0 265.422 2.872 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccon2)CC1 ZINC000096500021 393834693 /nfs/dbraw/zinc/83/46/93/393834693.db2.gz WGFMRAYQPUNPMJ-GFCCVEGCSA-N 1 0 295.383 2.554 50 0 CFAARO C[C@@H]1CCC[C@@H](C)C1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000229413963 393776895 /nfs/dbraw/zinc/77/68/95/393776895.db2.gz UYRGXYCQDHNZCI-RBSFLKMASA-N 1 0 293.455 2.691 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc(F)c1 ZINC000090455767 393777682 /nfs/dbraw/zinc/77/76/82/393777682.db2.gz DGRQJPIXUXYDSN-IINYFYTJSA-N 1 0 259.328 2.757 50 0 CFAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)CC1CCCCC1 ZINC000090699769 393781025 /nfs/dbraw/zinc/78/10/25/393781025.db2.gz DDQYQLJJPQCUOH-HNNXBMFYSA-N 1 0 298.496 2.853 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000239275011 393796979 /nfs/dbraw/zinc/79/69/79/393796979.db2.gz BBMNTDYLHOUHAS-ZFWWWQNUSA-N 1 0 286.375 2.583 50 0 CFAARO CNC(=O)CC1CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000093588221 393802590 /nfs/dbraw/zinc/80/25/90/393802590.db2.gz UNMMRYJPYIFPPN-WFASDCNBSA-N 1 0 290.407 2.751 50 0 CFAARO CNC(=O)CC1CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000093588225 393803174 /nfs/dbraw/zinc/80/31/74/393803174.db2.gz UNMMRYJPYIFPPN-SWLSCSKDSA-N 1 0 290.407 2.751 50 0 CFAARO C(=C/c1ccccc1CNC1=[NH+]CCN1)\c1ccccc1 ZINC000096235433 393817173 /nfs/dbraw/zinc/81/71/73/393817173.db2.gz IVGPSYOVMFVZNW-ZHACJKMWSA-N 1 0 277.371 2.906 50 0 CFAARO CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000096424519 393829663 /nfs/dbraw/zinc/82/96/63/393829663.db2.gz NPZBPOKYUNTKGA-INIZCTEOSA-N 1 0 295.448 2.875 50 0 CFAARO CCc1nn(C)cc1C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000097033965 393840533 /nfs/dbraw/zinc/84/05/33/393840533.db2.gz ZBMXNGIZQNDQRO-AWEZNQCLSA-N 1 0 299.418 2.981 50 0 CFAARO CN(C)C(=O)CN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000098010275 393841856 /nfs/dbraw/zinc/84/18/56/393841856.db2.gz HYYOKPRGAKCMAP-ZDUSSCGKSA-N 1 0 298.839 2.518 50 0 CFAARO C[C@H](NCc1cccnc1)c1nc2ccccc2n1C ZINC000097971389 393842100 /nfs/dbraw/zinc/84/21/00/393842100.db2.gz HMGOZOWRGGZWKC-LBPRGKRZSA-N 1 0 266.348 2.819 50 0 CFAARO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCc4n[nH]cc4C3)c2O1 ZINC000119344063 393918595 /nfs/dbraw/zinc/91/85/95/393918595.db2.gz IKHBUZIAKRVNDQ-OAHLLOKOSA-N 1 0 297.402 2.770 50 0 CFAARO c1nnc([C@@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)[nH]1 ZINC000252510366 393937039 /nfs/dbraw/zinc/93/70/39/393937039.db2.gz ZIMQHLIMDIXGKM-OAHLLOKOSA-N 1 0 292.427 2.581 50 0 CFAARO C[N@@H+]1CC[C@H]2CCN(c3ccc4ccc(F)cc4n3)[C@H]2C1 ZINC000252510650 393937314 /nfs/dbraw/zinc/93/73/14/393937314.db2.gz BBTOBVZBLRCIPD-BBRMVZONSA-N 1 0 285.366 2.904 50 0 CFAARO CN(Cc1cccc2[nH]ccc21)C(=O)CC1CC[NH+](C)CC1 ZINC000487614580 394015344 /nfs/dbraw/zinc/01/53/44/394015344.db2.gz CLKZBHJQCLVMGA-UHFFFAOYSA-N 1 0 299.418 2.858 50 0 CFAARO C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)C[C@@H](C)[NH2+]1 ZINC000153531945 394285836 /nfs/dbraw/zinc/28/58/36/394285836.db2.gz LIYZLANDFXWLLE-NXEZZACHSA-N 1 0 286.828 2.543 50 0 CFAARO C[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)C[C@H](C)[NH2+]1 ZINC000153635576 394287481 /nfs/dbraw/zinc/28/74/81/394287481.db2.gz YEXOGRIHENIDLO-GRPTYIHUSA-N 1 0 278.783 2.562 50 0 CFAARO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCCC1 ZINC000170048003 394371186 /nfs/dbraw/zinc/37/11/86/394371186.db2.gz GHETVOZRGONORR-CABCVRRESA-N 1 0 272.392 2.568 50 0 CFAARO c1cc(-c2ccc(N[C@@H]3C[NH+]4CCC3CC4)cc2)n[nH]1 ZINC000037104851 543026429 /nfs/dbraw/zinc/02/64/29/543026429.db2.gz HHRRECQZGVIYGF-MRXNPFEDSA-N 1 0 268.364 2.583 50 0 CFAARO COc1ncc(C[N@H+](C)[C@H]2CCCc3ccccc32)cn1 ZINC000824851761 781999316 /nfs/dbraw/zinc/99/93/16/781999316.db2.gz DCJPCIVWRRXSSW-INIZCTEOSA-N 1 0 283.375 2.995 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccco1)c1cccs1 ZINC000103281888 397595068 /nfs/dbraw/zinc/59/50/68/397595068.db2.gz APHOGGVXWRDQRQ-MEJMFZKBSA-N 1 0 290.388 2.773 50 0 CFAARO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1CO)CCCO2 ZINC000107525722 397597552 /nfs/dbraw/zinc/59/75/52/397597552.db2.gz RKVQQUXVHMWKSB-VBNZEHGJSA-N 1 0 291.391 2.660 50 0 CFAARO Cc1cnn(-c2ccc(N[C@@H]3C[N@@H+](C)C[C@H]3C)cc2F)c1 ZINC000108121995 397598004 /nfs/dbraw/zinc/59/80/04/397598004.db2.gz FGGABPFQXWWFAE-IUODEOHRSA-N 1 0 288.370 2.682 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)C[C@@H](C)C(F)(F)F ZINC000216462143 397620135 /nfs/dbraw/zinc/62/01/35/397620135.db2.gz VCXVUNPIJGUBGT-MRVPVSSYSA-N 1 0 263.307 2.699 50 0 CFAARO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000252485890 397628445 /nfs/dbraw/zinc/62/84/45/397628445.db2.gz BOGZFVRGFUNZEY-MELADBBJSA-N 1 0 298.427 2.543 50 0 CFAARO CC(C)C(=O)N[C@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000252486026 397628468 /nfs/dbraw/zinc/62/84/68/397628468.db2.gz HHFINGSCEZKMTE-ZDUSSCGKSA-N 1 0 286.485 2.755 50 0 CFAARO Cc1ccc([C@@H]2C[N@@H+](CC3CC3)C[C@H]2N(C)C)cc1 ZINC000095528692 292219748 /nfs/dbraw/zinc/21/97/48/292219748.db2.gz KVMOPJSJYPFUFT-DLBZAZTESA-N 1 0 258.409 2.734 50 0 CFAARO Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)c1 ZINC000007126055 292232078 /nfs/dbraw/zinc/23/20/78/292232078.db2.gz GQJLQNLGILBOGT-OAHLLOKOSA-N 1 0 291.358 2.749 50 0 CFAARO COc1ccc([C@H]2C[C@H](C)C[N@H+]2CC(OC)OC)cc1 ZINC000225450594 286379471 /nfs/dbraw/zinc/37/94/71/286379471.db2.gz ORUILKNKMRCGHV-SWLSCSKDSA-N 1 0 279.380 2.697 50 0 CFAARO CC1(C)OCC[C@H]1[NH2+]CCc1noc2ccccc21 ZINC000653724249 413467939 /nfs/dbraw/zinc/46/79/39/413467939.db2.gz NRABPLPKJYDSKQ-CQSZACIVSA-N 1 0 260.337 2.527 50 0 CFAARO C[C@@H](O)c1cccc2cc([C@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000002530696 169803686 /nfs/dbraw/zinc/80/36/86/169803686.db2.gz GTYMTYBCXVOBBB-ZWNOBZJWSA-N 1 0 277.364 2.908 50 0 in-vitro CFAARO CC(C)c1ccc(OCCCC[NH2+]CCO)cc1 ZINC000002898660 169843120 /nfs/dbraw/zinc/84/31/20/169843120.db2.gz XMOGHQQRLAPFFT-UHFFFAOYSA-N 1 0 251.370 2.551 50 0 CFAARO CC(C)[NH2+]CCOCCOc1ccc(Cl)cc1 ZINC000002981158 169846965 /nfs/dbraw/zinc/84/69/65/169846965.db2.gz ZDCKDXYNHGMOAF-UHFFFAOYSA-N 1 0 257.761 2.733 50 0 CFAARO CC[NH+](CC)CCCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC000004696057 170000160 /nfs/dbraw/zinc/00/01/60/170000160.db2.gz VCWNMHSTFCNZFA-UHFFFAOYSA-N 1 0 287.407 2.938 50 0 CFAARO COc1ccc(Br)cc1CSC(N)=[NH2+] ZINC000004700944 170001594 /nfs/dbraw/zinc/00/15/94/170001594.db2.gz MFXDFHPYWIFDOW-UHFFFAOYSA-N 1 0 275.171 2.584 50 0 CFAARO CC1(C)CC(NC(=S)NCc2ccco2)CC(C)(C)[NH2+]1 ZINC000004702313 170001713 /nfs/dbraw/zinc/00/17/13/170001713.db2.gz HJZIOLOGYIYUJS-UHFFFAOYSA-N 1 0 295.452 2.553 50 0 CFAARO CCC(CC)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000004703385 170002102 /nfs/dbraw/zinc/00/21/02/170002102.db2.gz PNZXLXZPHYLETK-UHFFFAOYSA-N 1 0 267.369 2.991 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000004746279 170010820 /nfs/dbraw/zinc/01/08/20/170010820.db2.gz OCFZAUQTDLXNAE-KRWDZBQOSA-N 1 0 286.419 2.829 50 0 CFAARO Cc1cc[nH+]c(NC[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000004756087 170013013 /nfs/dbraw/zinc/01/30/13/170013013.db2.gz LHQUTNOYMLODJZ-CYBMUJFWSA-N 1 0 292.766 2.895 50 0 CFAARO O=C(NCC[NH+]1CCCC1)Nc1ccccc1Cl ZINC000004829283 170024871 /nfs/dbraw/zinc/02/48/71/170024871.db2.gz OAYSPOGPZKQLOX-UHFFFAOYSA-N 1 0 267.760 2.557 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000004833996 170026558 /nfs/dbraw/zinc/02/65/58/170026558.db2.gz CKXVUQMSIUHNFE-SNVBAGLBSA-N 1 0 278.179 2.731 50 0 CFAARO C[C@@H]1CCC[N@H+](CCCOc2ccc(C=O)cc2)C1 ZINC000004840930 170027763 /nfs/dbraw/zinc/02/77/63/170027763.db2.gz HMFBUSMMRGDVNG-CQSZACIVSA-N 1 0 261.365 3.000 50 0 CFAARO C[C@H]([NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1 ZINC000004993743 170051488 /nfs/dbraw/zinc/05/14/88/170051488.db2.gz JJJSFNAYCUSJCN-ZDUSSCGKSA-N 1 0 295.386 2.728 50 0 CFAARO Fc1ccccc1CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005500166 170105232 /nfs/dbraw/zinc/10/52/32/170105232.db2.gz LOFWHLUNKRFUDM-NSHDSACASA-N 1 0 279.340 2.926 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC)c(OC)c1 ZINC000005513307 170106165 /nfs/dbraw/zinc/10/61/65/170106165.db2.gz VGVVCKXPXVZCQP-GJZGRUSLSA-N 1 0 279.380 2.751 50 0 CFAARO O=C1CS[C@@H](c2ccccc2)N1CC[NH+]1CCCCC1 ZINC000005775263 170139589 /nfs/dbraw/zinc/13/95/89/170139589.db2.gz DGFFZZLVGJPRCR-INIZCTEOSA-N 1 0 290.432 2.747 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH2+]C(C)C)cc(C)c1Cl ZINC000005924864 170155951 /nfs/dbraw/zinc/15/59/51/170155951.db2.gz BLCABJGPDBLEPQ-GFCCVEGCSA-N 1 0 271.788 2.695 50 0 CFAARO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000006651148 170222435 /nfs/dbraw/zinc/22/24/35/170222435.db2.gz QNHORKKDTZFNNY-OLZOCXBDSA-N 1 0 262.397 2.800 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000006703847 170230585 /nfs/dbraw/zinc/23/05/85/170230585.db2.gz KQDZOGXZCXAFJI-HNNXBMFYSA-N 1 0 291.391 2.731 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccc(OCC)cc2)CC1 ZINC000006730238 170234869 /nfs/dbraw/zinc/23/48/69/170234869.db2.gz ZNPQLUKXHSZNIG-UHFFFAOYSA-N 1 0 291.395 2.645 50 0 CFAARO OCCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000006929116 170256108 /nfs/dbraw/zinc/25/61/08/170256108.db2.gz OXIGFTJGTVNCBJ-UHFFFAOYSA-N 1 0 267.372 2.847 50 0 CFAARO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000006968314 170259617 /nfs/dbraw/zinc/25/96/17/170259617.db2.gz XAONJZAKHYIUSQ-WDEREUQCSA-N 1 0 268.788 2.904 50 0 CFAARO C[C@H](C(=O)Nc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000007377698 170281218 /nfs/dbraw/zinc/28/12/18/170281218.db2.gz FEFVNPBJBNLTLA-LLVKDONJSA-N 1 0 250.317 2.639 50 0 CFAARO Cc1ccc(S(=O)(=O)[C@@H](C[NH3+])c2cccs2)cc1 ZINC000007951939 170309233 /nfs/dbraw/zinc/30/92/33/170309233.db2.gz AZBMATSFSORDIL-ZDUSSCGKSA-N 1 0 281.402 2.530 50 0 CFAARO CC[NH2+]Cc1cc(Br)ccc1OCC ZINC000008227206 170325841 /nfs/dbraw/zinc/32/58/41/170325841.db2.gz QTJYANZBUONJFA-UHFFFAOYSA-N 1 0 258.159 2.957 50 0 CFAARO CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000008326681 170331336 /nfs/dbraw/zinc/33/13/36/170331336.db2.gz SMTIIKMPMBLXQZ-JTQLQIEISA-N 1 0 253.342 2.601 50 0 CFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccoc1 ZINC000010100694 170397175 /nfs/dbraw/zinc/39/71/75/170397175.db2.gz RUQAAONLUUTVLG-UHFFFAOYSA-N 1 0 284.359 2.805 50 0 CFAARO COC(=O)CC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000015423826 170665968 /nfs/dbraw/zinc/66/59/68/170665968.db2.gz MCYMLVGEGRTIIW-UHFFFAOYSA-N 1 0 265.328 2.601 50 0 CFAARO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccnc3)c(C)n2n1 ZINC000020141405 171027813 /nfs/dbraw/zinc/02/78/13/171027813.db2.gz XUZOGPLTZAUYGA-GFCCVEGCSA-N 1 0 281.363 2.592 50 0 CFAARO CC(C)(C)c1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000020182513 171046114 /nfs/dbraw/zinc/04/61/14/171046114.db2.gz LXYRBNGUASGCRT-UHFFFAOYSA-N 1 0 274.408 2.795 50 0 CFAARO CSCCC[N@@H+]1CCO[C@@H](Cc2ccc(F)cc2)C1 ZINC000020211306 171074921 /nfs/dbraw/zinc/07/49/21/171074921.db2.gz CDXRVSQXZHYJFC-HNNXBMFYSA-N 1 0 283.412 2.822 50 0 CFAARO c1nn(-c2ccccc2)nc1C[NH2+]CCc1ccccc1 ZINC000020245973 171099276 /nfs/dbraw/zinc/09/92/76/171099276.db2.gz XPFDQYWMQJWGQT-UHFFFAOYSA-N 1 0 278.359 2.600 50 0 CFAARO Cc1noc(C)c1C[NH2+]CCn1c(C)nc2ccccc21 ZINC000020253379 171105708 /nfs/dbraw/zinc/10/57/08/171105708.db2.gz BTPSOUDDUHXPEO-UHFFFAOYSA-N 1 0 284.363 2.739 50 0 CFAARO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000020271551 171126507 /nfs/dbraw/zinc/12/65/07/171126507.db2.gz SLPYPYKUAHZCFK-XJKSGUPXSA-N 1 0 294.354 2.669 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@H+](C)CCOc1ccccc1C ZINC000020390538 171179769 /nfs/dbraw/zinc/17/97/69/171179769.db2.gz ZWLWGPHRPCTMFH-UHFFFAOYSA-N 1 0 287.407 2.888 50 0 CFAARO CCN1CC[NH+](CCCCOc2ccccc2F)CC1 ZINC000020406469 171182217 /nfs/dbraw/zinc/18/22/17/171182217.db2.gz QXMJQVWGWLWLKK-UHFFFAOYSA-N 1 0 280.387 2.622 50 0 CFAARO CCc1cc(OCCN2CC[NH+](CC)CC2)ccc1Cl ZINC000020406325 171182263 /nfs/dbraw/zinc/18/22/63/171182263.db2.gz KAOWNKMOWFMZCG-UHFFFAOYSA-N 1 0 296.842 2.919 50 0 CFAARO Cc1cccc(C)c1NC(=O)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020458508 171208698 /nfs/dbraw/zinc/20/86/98/171208698.db2.gz QMSHNUMEWJZVDT-GJZGRUSLSA-N 1 0 290.407 2.741 50 0 CFAARO O=C(Cc1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020472497 171216061 /nfs/dbraw/zinc/21/60/61/171216061.db2.gz XLVQBAMDBHLPII-UHFFFAOYSA-N 1 0 292.448 2.768 50 0 CFAARO CSCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000020539301 171241494 /nfs/dbraw/zinc/24/14/94/171241494.db2.gz NCEUVMQXCDDGQA-LSDHHAIUSA-N 1 0 297.464 2.774 50 0 CFAARO CC(C)[C@@H](CC[NH+]1CCN(C)CC1)c1ccco1 ZINC000020590254 171260758 /nfs/dbraw/zinc/26/07/58/171260758.db2.gz BCVOUWPAEAWMBC-CQSZACIVSA-N 1 0 250.386 2.657 50 0 CFAARO c1ccc(C[N@@H+]2CC[C@H](Nc3cccnc3)C2)cc1 ZINC000020595767 171264392 /nfs/dbraw/zinc/26/43/92/171264392.db2.gz DJGWRASYZQYGLL-INIZCTEOSA-N 1 0 253.349 2.768 50 0 CFAARO c1ccc(C2CC[NH+](CCN3CCSCC3)CC2)cc1 ZINC000020599812 171266335 /nfs/dbraw/zinc/26/63/35/171266335.db2.gz IXRACAPJYQEPNQ-UHFFFAOYSA-N 1 0 290.476 2.915 50 0 CFAARO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000020637237 171268196 /nfs/dbraw/zinc/26/81/96/171268196.db2.gz YWQXUGMZUWLQIH-CVEARBPZSA-N 1 0 276.424 2.677 50 0 CFAARO c1cc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)n[nH]1 ZINC000020911889 171279571 /nfs/dbraw/zinc/27/95/71/171279571.db2.gz KWRMFERPKASORF-INIZCTEOSA-N 1 0 270.380 2.792 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCCCO)cc1OC ZINC000020931312 171280979 /nfs/dbraw/zinc/28/09/79/171280979.db2.gz WCUHDIHJIIAKQF-UHFFFAOYSA-N 1 0 281.396 2.736 50 0 CFAARO Cc1cc(Cl)c(OCCC[NH2+]CCO)c(Cl)c1 ZINC000022064737 171351688 /nfs/dbraw/zinc/35/16/88/171351688.db2.gz PYYKYSVGVBIDGB-UHFFFAOYSA-N 1 0 278.179 2.653 50 0 CFAARO CC[NH+]1CCN(CC[C@H](C)c2ccc(C)o2)CC1 ZINC000022077647 171352458 /nfs/dbraw/zinc/35/24/58/171352458.db2.gz FPQOGANUUOVALW-ZDUSSCGKSA-N 1 0 250.386 2.719 50 0 CFAARO COc1cc([C@@H](C)[NH3+])ccc1OCc1ccncc1 ZINC000022209611 171372794 /nfs/dbraw/zinc/37/27/94/171372794.db2.gz VUCRDFSEQMYSGW-LLVKDONJSA-N 1 0 258.321 2.689 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000023282707 171418627 /nfs/dbraw/zinc/41/86/27/171418627.db2.gz BHPPLESBMVMJEX-ZDUSSCGKSA-N 1 0 256.349 2.811 50 0 CFAARO CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]CCN(C)C ZINC000025763840 171465649 /nfs/dbraw/zinc/46/56/49/171465649.db2.gz YRYHZTDMVWWJPM-ZIAGYGMSSA-N 1 0 291.439 2.678 50 0 CFAARO COCCC[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000035161747 172021367 /nfs/dbraw/zinc/02/13/67/172021367.db2.gz DQWMGTMHCDMKMQ-UHFFFAOYSA-N 1 0 273.380 2.615 50 0 CFAARO C[C@H]([NH2+]C1CCS(=O)(=O)CC1)c1cccc(Cl)c1 ZINC000035652277 172328811 /nfs/dbraw/zinc/32/88/11/172328811.db2.gz KWRWKRLMMKKUJQ-JTQLQIEISA-N 1 0 287.812 2.568 50 0 CFAARO Cc1ccc(-c2cc(C(F)(F)F)nc(OCC[NH3+])n2)cc1 ZINC000035655683 172332262 /nfs/dbraw/zinc/33/22/62/172332262.db2.gz NGQZHXQBQKFZIA-UHFFFAOYSA-N 1 0 297.280 2.808 50 0 CFAARO COc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1F ZINC000037249275 173060862 /nfs/dbraw/zinc/06/08/62/173060862.db2.gz VLZAOIFFQXZWSV-NSHDSACASA-N 1 0 266.360 2.579 50 0 CFAARO O[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037490170 173231305 /nfs/dbraw/zinc/23/13/05/173231305.db2.gz NGDVPKNJPMVSHP-RYUDHWBXSA-N 1 0 259.271 2.708 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000037648374 173598161 /nfs/dbraw/zinc/59/81/61/173598161.db2.gz IDSHXFJUBGWZMS-RYUDHWBXSA-N 1 0 287.329 2.616 50 0 CFAARO CC[C@@H](C)c1ccccc1OCCCC[NH2+]CCN ZINC000039960864 174179781 /nfs/dbraw/zinc/17/97/81/174179781.db2.gz MVSNQHRXKPFHBP-CQSZACIVSA-N 1 0 264.413 2.907 50 0 CFAARO Cc1cc(C(C)(C)C)ccc1OCCCC[NH2+]CCN ZINC000039960860 174179873 /nfs/dbraw/zinc/17/98/73/174179873.db2.gz OHABFNBGVCDIAS-UHFFFAOYSA-N 1 0 278.440 3.000 50 0 CFAARO CC[C@H](C)c1ccccc1OCCCC[NH2+]CCN ZINC000039960865 174179930 /nfs/dbraw/zinc/17/99/30/174179930.db2.gz MVSNQHRXKPFHBP-AWEZNQCLSA-N 1 0 264.413 2.907 50 0 CFAARO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc2ccccc21 ZINC000039987523 174181719 /nfs/dbraw/zinc/18/17/19/174181719.db2.gz RHBYZSVXOUHGNK-INIZCTEOSA-N 1 0 268.360 2.680 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@H]2c1ccc(F)cc1 ZINC000040267478 174218375 /nfs/dbraw/zinc/21/83/75/174218375.db2.gz BNICUKNNERIXLW-RDJZCZTQSA-N 1 0 282.318 2.750 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccc(F)cc1 ZINC000040267475 174218598 /nfs/dbraw/zinc/21/85/98/174218598.db2.gz BNICUKNNERIXLW-NVXWUHKLSA-N 1 0 282.318 2.750 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000040461021 174270457 /nfs/dbraw/zinc/27/04/57/174270457.db2.gz XLSJEYBDPPRKKI-UHFFFAOYSA-N 1 0 256.296 2.682 50 0 CFAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000040468386 174276856 /nfs/dbraw/zinc/27/68/56/174276856.db2.gz MEOHIDVLNYPLIV-QWHCGFSZSA-N 1 0 292.423 2.957 50 0 CFAARO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000040468380 174276978 /nfs/dbraw/zinc/27/69/78/174276978.db2.gz MEOHIDVLNYPLIV-STQMWFEESA-N 1 0 292.423 2.957 50 0 CFAARO C[NH+](C)CCNC(=O)c1sc2ccccc2c1Cl ZINC000040488467 174290353 /nfs/dbraw/zinc/29/03/53/174290353.db2.gz SPOJSNAPRKSADF-UHFFFAOYSA-N 1 0 282.796 2.846 50 0 CFAARO COc1ccc(C)cc1C[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000040520630 174309437 /nfs/dbraw/zinc/30/94/37/174309437.db2.gz NCWSXABYONNBQX-UHFFFAOYSA-N 1 0 299.374 2.784 50 0 CFAARO O=C(Nc1ccc2c(c1)CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000040526443 174314246 /nfs/dbraw/zinc/31/42/46/174314246.db2.gz ZSRMFWLFUNSXQW-UHFFFAOYSA-N 1 0 299.418 2.924 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000040594896 174348083 /nfs/dbraw/zinc/34/80/83/174348083.db2.gz OSRMXINWMQJVJA-VIIAAUOXSA-N 1 0 292.810 2.811 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCCO)cc1OCC ZINC000040744218 174391604 /nfs/dbraw/zinc/39/16/04/174391604.db2.gz JMOLSMDZDIGVKM-UHFFFAOYSA-N 1 0 281.396 2.736 50 0 CFAARO CCOC(=O)c1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000042772762 174871890 /nfs/dbraw/zinc/87/18/90/174871890.db2.gz AKYHCJJZWDGMNK-UHFFFAOYSA-N 1 0 277.364 2.632 50 0 CFAARO C[NH2+]CCC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000043605239 175078468 /nfs/dbraw/zinc/07/84/68/175078468.db2.gz ZWMSKUYTBMJQCM-ZDUSSCGKSA-N 1 0 266.772 2.613 50 0 CFAARO CC(C)Oc1ccccc1CNC[C@@H]1CCC[N@H+](C)C1 ZINC000044533053 175196468 /nfs/dbraw/zinc/19/64/68/175196468.db2.gz HWMCYKFILGUHJG-HNNXBMFYSA-N 1 0 276.424 2.905 50 0 CFAARO O[C@H]1CCCc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000044746465 175242437 /nfs/dbraw/zinc/24/24/37/175242437.db2.gz FKEOWMMDDAEMHE-INIZCTEOSA-N 1 0 261.365 2.531 50 0 CFAARO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)NC1CC1 ZINC000045734972 175382568 /nfs/dbraw/zinc/38/25/68/175382568.db2.gz SDHFSYGUPSDNBZ-UHFFFAOYSA-N 1 0 286.419 2.610 50 0 CFAARO CCOc1cccc(C[NH2+]CCOc2ccccn2)c1 ZINC000045945459 175388062 /nfs/dbraw/zinc/38/80/62/175388062.db2.gz IVYTVLIXQIQUEZ-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO COCC[N@@H+]1CC[C@@H](CNc2nc3ccccc3s2)C1 ZINC000049441655 175477544 /nfs/dbraw/zinc/47/75/44/175477544.db2.gz VYUWRDGOHYTCAO-LBPRGKRZSA-N 1 0 291.420 2.677 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000053202351 175543965 /nfs/dbraw/zinc/54/39/65/175543965.db2.gz NZBRSPLUGIDZTD-VIIAAUOXSA-N 1 0 278.783 2.564 50 0 CFAARO C/C=C/CC(=O)N1CCCC2(CC[NH+](C)CC2)CC1 ZINC000067758274 175789988 /nfs/dbraw/zinc/78/99/88/175789988.db2.gz RPGDODXEILQQGH-ONEGZZNKSA-N 1 0 264.413 2.677 50 0 CFAARO CCc1cccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067842726 175796224 /nfs/dbraw/zinc/79/62/24/175796224.db2.gz ICVMGNDAVZYNGN-UHFFFAOYSA-N 1 0 287.407 2.856 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000070177097 175879667 /nfs/dbraw/zinc/87/96/67/175879667.db2.gz TZLZEYGUTCMCEZ-ZYHUDNBSSA-N 1 0 266.410 2.510 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000071143290 176040833 /nfs/dbraw/zinc/04/08/33/176040833.db2.gz TZAIKNPDQIRNEV-SECBINFHSA-N 1 0 287.190 2.675 50 0 CFAARO Cc1ccc(C[N@@H+](C)Cc2cc(C)n(-n3cnnc3)c2C)o1 ZINC000071752622 176260181 /nfs/dbraw/zinc/26/01/81/176260181.db2.gz OTGPINIJGWDENA-UHFFFAOYSA-N 1 0 299.378 2.541 50 0 CFAARO Nc1nccc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)n1 ZINC000071757136 176260600 /nfs/dbraw/zinc/26/06/00/176260600.db2.gz PIUIFYAEBBYZRO-AWEZNQCLSA-N 1 0 298.390 2.506 50 0 CFAARO CC(=O)c1cc(-c2cccc3c2CC[NH2+]C3)ccc1O ZINC000071757176 176260708 /nfs/dbraw/zinc/26/07/08/176260708.db2.gz SOGNQIMGIJELLJ-UHFFFAOYSA-N 1 0 267.328 2.908 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000071819540 176270438 /nfs/dbraw/zinc/27/04/38/176270438.db2.gz GWLIICZSPQNKON-GFCCVEGCSA-N 1 0 284.407 2.567 50 0 CFAARO Cc1ccc([C@H](O)C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000071819638 176270800 /nfs/dbraw/zinc/27/08/00/176270800.db2.gz UZPMCFWZLHFPBB-MRXNPFEDSA-N 1 0 299.370 2.589 50 0 CFAARO Cc1n[nH]cc1C[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000071819604 176270874 /nfs/dbraw/zinc/27/08/74/176270874.db2.gz GLIPJSPIYWGSMF-UHFFFAOYSA-N 1 0 299.296 2.949 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000071828176 176272523 /nfs/dbraw/zinc/27/25/23/176272523.db2.gz SJDZVXPLNVRGOL-WBVHZDCISA-N 1 0 285.391 2.976 50 0 CFAARO O[C@@H]1C[C@H](C2CCCCC2)[N@H+](CCc2ccncc2)C1 ZINC000071907943 176297089 /nfs/dbraw/zinc/29/70/89/176297089.db2.gz XXBWFZPNZNZKLD-IAGOWNOFSA-N 1 0 274.408 2.640 50 0 CFAARO Fc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000072085883 176314105 /nfs/dbraw/zinc/31/41/05/176314105.db2.gz MJNVBAPLPFJJSM-MRXNPFEDSA-N 1 0 262.372 2.886 50 0 CFAARO Cc1nccn1CCC[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000072133022 176321747 /nfs/dbraw/zinc/32/17/47/176321747.db2.gz YJDWDSZIFAZMET-GEEKYZPCSA-N 1 0 259.397 2.560 50 0 CFAARO Nc1cnc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)cn1 ZINC000072151458 176327433 /nfs/dbraw/zinc/32/74/33/176327433.db2.gz CTGGFJQFAYQNIV-CQSZACIVSA-N 1 0 298.390 2.506 50 0 CFAARO Fc1cccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c1F ZINC000072162827 176330538 /nfs/dbraw/zinc/33/05/38/176330538.db2.gz SNYZHDUIOMHZQU-OAHLLOKOSA-N 1 0 266.335 2.540 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(C(=O)CCc2cccs2)CC1 ZINC000072165972 176331006 /nfs/dbraw/zinc/33/10/06/176331006.db2.gz KGXYYEWTLPYPDS-CYBMUJFWSA-N 1 0 280.437 2.623 50 0 CFAARO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000072191338 176336393 /nfs/dbraw/zinc/33/63/93/176336393.db2.gz BWFWSLBYPKMSLX-KGLIPLIRSA-N 1 0 276.380 2.596 50 0 CFAARO Cc1ccsc1C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000072254113 176350346 /nfs/dbraw/zinc/35/03/46/176350346.db2.gz IDZPKSAOLLHEPS-CYBMUJFWSA-N 1 0 288.420 2.605 50 0 CFAARO c1csc(CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000072278796 176357142 /nfs/dbraw/zinc/35/71/42/176357142.db2.gz DDHQXMFNMOZRGG-LBPRGKRZSA-N 1 0 261.394 2.893 50 0 CFAARO Cc1ncsc1CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072291813 176361984 /nfs/dbraw/zinc/36/19/84/176361984.db2.gz SGWBXSQYBSBJLT-LBPRGKRZSA-N 1 0 276.409 2.597 50 0 CFAARO CC1CCC(O)(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000072296485 176363480 /nfs/dbraw/zinc/36/34/80/176363480.db2.gz ZCVLLTQMBIGTEL-NPCAHTBFSA-N 1 0 277.412 2.530 50 0 CFAARO Cc1csc([C@H]2CCCCN2C(=O)C[N@@H+](C)C2CC2)n1 ZINC000072300350 176364736 /nfs/dbraw/zinc/36/47/36/176364736.db2.gz LLOMQNZVDHFELX-CYBMUJFWSA-N 1 0 293.436 2.599 50 0 CFAARO Cc1cccc(Nc2cccc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072376486 176385261 /nfs/dbraw/zinc/38/52/61/176385261.db2.gz KDTIGASWNXCSAQ-LBPRGKRZSA-N 1 0 254.337 2.953 50 0 CFAARO Cc1cccc(OC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000072409288 176398260 /nfs/dbraw/zinc/39/82/60/176398260.db2.gz XHETVBSCKBZMDN-HNNXBMFYSA-N 1 0 275.392 2.875 50 0 CFAARO Cc1cccc(OC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000072409289 176398326 /nfs/dbraw/zinc/39/83/26/176398326.db2.gz XHETVBSCKBZMDN-OAHLLOKOSA-N 1 0 275.392 2.875 50 0 CFAARO O=C(CCCc1ccc(Cl)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000077520282 177277422 /nfs/dbraw/zinc/27/74/22/177277422.db2.gz UBFDZJVYGILEES-CQSZACIVSA-N 1 0 294.826 2.779 50 0 CFAARO c1cn(CC[C@H]2CCCC[N@@H+]2Cc2ccccn2)cn1 ZINC000077556430 177280462 /nfs/dbraw/zinc/28/04/62/177280462.db2.gz HRNYGGQDQXJFSP-MRXNPFEDSA-N 1 0 270.380 2.723 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)cc1O ZINC000078553220 177353505 /nfs/dbraw/zinc/35/35/05/177353505.db2.gz OOHSGMJZMOJINS-JTQLQIEISA-N 1 0 289.379 2.602 50 0 CFAARO C[C@@H]1C[N@@H+](CCCCOc2cccc(C=O)c2)C[C@H](C)O1 ZINC000016489055 260099327 /nfs/dbraw/zinc/09/93/27/260099327.db2.gz IGDCSMWFIAUHNE-GASCZTMLSA-N 1 0 291.391 2.767 50 0 CFAARO NC(=O)[C@H]([NH2+]CCc1cccc(Cl)c1)c1ccccc1 ZINC000026220209 260131164 /nfs/dbraw/zinc/13/11/64/260131164.db2.gz CKEQTJISDKYXIT-OAHLLOKOSA-N 1 0 288.778 2.699 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000035292713 260150670 /nfs/dbraw/zinc/15/06/70/260150670.db2.gz YTDYZSCOKRCAOU-HOTGVXAUSA-N 1 0 295.398 2.968 50 0 CFAARO CC1(C)C[C@H](O)CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000395404066 270313038 /nfs/dbraw/zinc/31/30/38/270313038.db2.gz UOSQVQOZRCWZED-CQSZACIVSA-N 1 0 281.371 2.687 50 0 CFAARO CCCC[C@@H](CO)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000032500579 273605906 /nfs/dbraw/zinc/60/59/06/273605906.db2.gz BMCLEVFXTDDKFY-HIFRSBDPSA-N 1 0 265.397 2.854 50 0 CFAARO CC[NH+](CC)CCN1C(=O)C(=O)c2c1c(C)ccc2Cl ZINC000006760413 273635940 /nfs/dbraw/zinc/63/59/40/273635940.db2.gz YIBCQKDMWBLPIJ-UHFFFAOYSA-N 1 0 294.782 2.520 50 0 CFAARO CCOC[C@@H](O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000071904902 273702344 /nfs/dbraw/zinc/70/23/44/273702344.db2.gz XNNNAJJIHOMQNB-INIZCTEOSA-N 1 0 277.408 2.572 50 0 CFAARO COC1=CCC2=C(CC[NH2+][C@@H]2Cc2ccc(O)cc2)C1 ZINC000004350058 274015967 /nfs/dbraw/zinc/01/59/67/274015967.db2.gz DYFRJIOGPUMGML-QGZVFWFLSA-N 1 0 271.360 2.917 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000063193109 274238723 /nfs/dbraw/zinc/23/87/23/274238723.db2.gz AVHRARGZANIXKE-RNCFNFMXSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@@H](Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1F ZINC000097037682 274264790 /nfs/dbraw/zinc/26/47/90/274264790.db2.gz ZIIXHVBGVFNTPB-LLVKDONJSA-N 1 0 294.349 2.896 50 0 CFAARO C[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](C)O ZINC000000757396 274266861 /nfs/dbraw/zinc/26/68/61/274266861.db2.gz BNUNIMZITWKVNR-AOOOYVTPSA-N 1 0 292.206 2.557 50 0 CFAARO C[C@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000012955446 274599166 /nfs/dbraw/zinc/59/91/66/274599166.db2.gz COHIQGNDIJOLQX-ZETCQYMHSA-N 1 0 279.693 2.552 50 0 CFAARO O=C(C[C@H]1[NH2+]CCc2ccccc21)Nc1ccccc1 ZINC000020387449 274978079 /nfs/dbraw/zinc/97/80/79/274978079.db2.gz YGRJNYNWWZJPEO-MRXNPFEDSA-N 1 0 266.344 2.902 50 0 CFAARO OC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000097033816 275045454 /nfs/dbraw/zinc/04/54/54/275045454.db2.gz ITHYCTSCAXVAGE-UHFFFAOYSA-N 1 0 294.826 2.897 50 0 CFAARO O[C@@H](C[N@H+](Cc1ccncc1)C1CC1)c1ccc(F)cc1 ZINC000096452808 275050709 /nfs/dbraw/zinc/05/07/09/275050709.db2.gz DJCLWRZMYFAXTO-KRWDZBQOSA-N 1 0 286.350 2.919 50 0 CFAARO Brc1ccc2[nH]c3c(c2c1)C[NH2+]CC3 ZINC000019798362 275370107 /nfs/dbraw/zinc/37/01/07/275370107.db2.gz NCYAUUMFSRUGHL-UHFFFAOYSA-N 1 0 251.127 2.576 50 0 CFAARO C1=CC[NH+]([C@@H]2CCN(c3nc4ccccc4s3)C2)C1 ZINC000104205842 275411234 /nfs/dbraw/zinc/41/12/34/275411234.db2.gz FEDFCJUVLWXWFQ-GFCCVEGCSA-N 1 0 271.389 2.747 50 0 CFAARO CC(C)c1ccc(N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000236663210 276054070 /nfs/dbraw/zinc/05/40/70/276054070.db2.gz XFJPXIJVOMWQCO-ZIAGYGMSSA-N 1 0 260.381 2.900 50 0 CFAARO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000123151411 276387888 /nfs/dbraw/zinc/38/78/88/276387888.db2.gz YRGPDYJRLDAQHO-HUUCEWRRSA-N 1 0 295.448 2.593 50 0 CFAARO CC[C@H](C)[NH2+]C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005651404 276618490 /nfs/dbraw/zinc/61/84/90/276618490.db2.gz DOOALPDOSJGYOU-QCAJKXFRSA-N 1 0 295.467 2.968 50 0 CFAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CCC(OC2CCCCC2)CC1 ZINC000154379083 277248328 /nfs/dbraw/zinc/24/83/28/277248328.db2.gz SHLPNAGLKWQPKK-OAHLLOKOSA-N 1 0 296.455 2.700 50 0 CFAARO CC(C)CC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288708 277343043 /nfs/dbraw/zinc/34/30/43/277343043.db2.gz KTTSXTFVVGLVJD-HNNXBMFYSA-N 1 0 266.429 2.900 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000043044194 277385218 /nfs/dbraw/zinc/38/52/18/277385218.db2.gz CQWVBIASWONDMV-HOCLYGCPSA-N 1 0 295.471 2.985 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2Nc1cc(C)[nH+]c(N)n1 ZINC000032533136 277951930 /nfs/dbraw/zinc/95/19/30/277951930.db2.gz SXXZTNFBEHJSSL-CQSZACIVSA-N 1 0 284.363 2.865 50 0 CFAARO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000110641731 278146795 /nfs/dbraw/zinc/14/67/95/278146795.db2.gz QRJJLLHDFYKSKX-ZIAGYGMSSA-N 1 0 284.469 2.605 50 0 CFAARO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccsc1 ZINC000090178683 278269094 /nfs/dbraw/zinc/26/90/94/278269094.db2.gz HAROZMHDKMLGBO-CMPLNLGQSA-N 1 0 266.410 2.798 50 0 CFAARO CC(C)(C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000042369867 278308191 /nfs/dbraw/zinc/30/81/91/278308191.db2.gz GXOHIQQSPQGLFI-UHFFFAOYSA-N 1 0 296.455 2.574 50 0 CFAARO C[C@@H]([NH2+]C1CCC(O)CC1)c1nc2ccccc2n1C ZINC000019918940 278334582 /nfs/dbraw/zinc/33/45/82/278334582.db2.gz IOEHDRUCZOKRAJ-PNESKVBLSA-N 1 0 273.380 2.527 50 0 CFAARO CC1=C[C@@H](C)C(=O)N(C[C@@H](C)[NH+]2CCCC2)C(C)=C1 ZINC000001721917 278504024 /nfs/dbraw/zinc/50/40/24/278504024.db2.gz SJFGMTIVTZSZIV-UKRRQHHQSA-N 1 0 262.397 2.799 50 0 CFAARO Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000000064565 278672724 /nfs/dbraw/zinc/67/27/24/278672724.db2.gz IZHVEZVQCSIWCJ-HNNXBMFYSA-N 1 0 263.381 2.529 50 0 CFAARO C[C@H](C[NH2+]C[C@H]1CCCO1)COc1ccc(F)cc1 ZINC000004806342 279347196 /nfs/dbraw/zinc/34/71/96/279347196.db2.gz UVFBAXLYDGCZTG-IUODEOHRSA-N 1 0 267.344 2.609 50 0 CFAARO CC(C)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019771306 279509622 /nfs/dbraw/zinc/50/96/22/279509622.db2.gz BADUPQJFOFFEJR-UHFFFAOYSA-N 1 0 262.441 2.837 50 0 CFAARO O=C1OCCN1CCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000189313404 280305942 /nfs/dbraw/zinc/30/59/42/280305942.db2.gz AXDNOQXRSXXTSF-WDEREUQCSA-N 1 0 294.317 2.539 50 0 CFAARO CC[C@H]1C[N@H+](CCSC(C)(C)C)C[C@]2(CCOC2)O1 ZINC000252489602 288289723 /nfs/dbraw/zinc/28/97/23/288289723.db2.gz JUQMONLPBJRHHO-ZFWWWQNUSA-N 1 0 287.469 2.788 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000255318967 281093701 /nfs/dbraw/zinc/09/37/01/281093701.db2.gz LFYWWBKHYBEJRQ-YXVBKTCISA-N 1 0 278.783 2.564 50 0 CFAARO Cc1cccc(/C=C\C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000255553840 281101197 /nfs/dbraw/zinc/10/11/97/281101197.db2.gz AZQDOYMMIVLFEW-PLDWVVQRSA-N 1 0 272.392 2.594 50 0 CFAARO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@H](C[NH3+])C1 ZINC000261881594 281112374 /nfs/dbraw/zinc/11/23/74/281112374.db2.gz UDFGOGQDJQZDQP-ZFWWWQNUSA-N 1 0 297.402 2.881 50 0 CFAARO Cc1ccsc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000009015670 281511248 /nfs/dbraw/zinc/51/12/48/281511248.db2.gz OTNYPQCJSZPQSL-LBPRGKRZSA-N 1 0 283.360 2.503 50 0 CFAARO [NH3+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000034940522 295223343 /nfs/dbraw/zinc/22/33/43/295223343.db2.gz NZZNAYAGPSXRBR-UHFFFAOYSA-N 1 0 259.271 2.712 50 0 CFAARO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)O)CCCS2 ZINC000187671068 295274645 /nfs/dbraw/zinc/27/46/45/295274645.db2.gz CDVPAINYIACNDN-ZWNOBZJWSA-N 1 0 267.394 2.593 50 0 CFAARO O=C(C1CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089818992 295435998 /nfs/dbraw/zinc/43/59/98/295435998.db2.gz OREZFVVBVUYHQU-CQSZACIVSA-N 1 0 264.413 2.511 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000245316703 297599981 /nfs/dbraw/zinc/59/99/81/297599981.db2.gz KFESMGRJJXQKMO-BCZWGYKPSA-N 1 0 283.318 2.562 50 0 CFAARO C[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000134785636 298335889 /nfs/dbraw/zinc/33/58/89/298335889.db2.gz MULSOBNOVMDTHF-YTWAJWBKSA-N 1 0 263.303 2.875 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000262649487 302167206 /nfs/dbraw/zinc/16/72/06/302167206.db2.gz UAZAJEGNUUXKDT-JJXSEGSLSA-N 1 0 286.419 2.827 50 0 CFAARO Cc1ocnc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828215533 782083558 /nfs/dbraw/zinc/08/35/58/782083558.db2.gz ZCQZDSLBJVZCTQ-UHFFFAOYSA-N 1 0 285.347 2.831 50 0 CFAARO CC(C)[C@H](CNc1ccc2ccccc2n1)[NH+](C)C ZINC000534578205 328310813 /nfs/dbraw/zinc/31/08/13/328310813.db2.gz JWXFOVYPFRFBOW-HNNXBMFYSA-N 1 0 257.381 2.655 50 0 CFAARO OCC1(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CCCC1 ZINC000534578698 328311071 /nfs/dbraw/zinc/31/10/71/328311071.db2.gz NHJNYOMJCPHKMI-HNNXBMFYSA-N 1 0 292.398 2.547 50 0 CFAARO O=C(C[NH+]1CCCC1)NC1(c2ccccc2Cl)CC1 ZINC000534579736 328311310 /nfs/dbraw/zinc/31/13/10/328311310.db2.gz GVUKYEGWNXMNJA-UHFFFAOYSA-N 1 0 278.783 2.541 50 0 CFAARO Cc1ccc(CC2(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000534585471 328315102 /nfs/dbraw/zinc/31/51/02/328315102.db2.gz KFVGNDLXTPQXAQ-MRXNPFEDSA-N 1 0 286.419 2.671 50 0 CFAARO CCN(Cc1ccc(C)o1)C(=O)NC[C@H](C(C)C)[NH+](C)C ZINC000534587163 328315726 /nfs/dbraw/zinc/31/57/26/328315726.db2.gz ZHJJTXXRPAVOMV-OAHLLOKOSA-N 1 0 295.427 2.706 50 0 CFAARO CSc1cccc(CN(C(=O)[C@H]2C=CC[NH2+]2)C(C)C)c1 ZINC000534586826 328315864 /nfs/dbraw/zinc/31/58/64/328315864.db2.gz HGRHMGRZNRUJST-OAHLLOKOSA-N 1 0 290.432 2.674 50 0 CFAARO Cc1cccc(N2CCC([NH2+]Cc3cc[nH]n3)CC2)c1C ZINC000534589538 328317319 /nfs/dbraw/zinc/31/73/19/328317319.db2.gz VSUAPBIRUWTUDM-UHFFFAOYSA-N 1 0 284.407 2.785 50 0 CFAARO Clc1ccccc1-c1cc(CN[C@@H]2CCOC2)no1 ZINC000534589611 328317656 /nfs/dbraw/zinc/31/76/56/328317656.db2.gz BRIZCZWJXPBYPI-SNVBAGLBSA-N 1 0 278.739 2.874 50 0 CFAARO C[C@H](COc1ccccc1)[NH2+]CC1(Cn2cccn2)CC1 ZINC000534590063 328317912 /nfs/dbraw/zinc/31/79/12/328317912.db2.gz BQXLOGHQBOAHTJ-OAHLLOKOSA-N 1 0 285.391 2.720 50 0 CFAARO COc1cccc(-c2cc(C[NH2+][C@H]3CCCOC3)no2)c1 ZINC000534645470 328330595 /nfs/dbraw/zinc/33/05/95/328330595.db2.gz ZKNVKQNQAKNHOK-ZDUSSCGKSA-N 1 0 288.347 2.619 50 0 CFAARO Cc1c[nH]c([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000534633598 328332533 /nfs/dbraw/zinc/33/25/33/328332533.db2.gz WLKLOZOIRZIVOA-LLVKDONJSA-N 1 0 264.417 2.678 50 0 CFAARO Cc1ccc(CC2([NH2+][C@H](C)Cn3ccnc3)CC2)cc1 ZINC000534639510 328335539 /nfs/dbraw/zinc/33/55/39/328335539.db2.gz OZWDMCVHYJUAMY-OAHLLOKOSA-N 1 0 269.392 2.945 50 0 CFAARO COc1ccc(-c2cc(C[NH2+][C@H]3CCCOC3)no2)cc1 ZINC000534650013 328336512 /nfs/dbraw/zinc/33/65/12/328336512.db2.gz ZZNNJIDPCONXDQ-ZDUSSCGKSA-N 1 0 288.347 2.619 50 0 CFAARO CC(C)[C@@H](CNC(=O)c1cc(F)cc(Cl)c1)[NH+](C)C ZINC000534650026 328336541 /nfs/dbraw/zinc/33/65/41/328336541.db2.gz MQXRIUBSRVQEIS-CYBMUJFWSA-N 1 0 286.778 2.795 50 0 CFAARO c1sc(-c2ccncc2)nc1CC[NH2+]C1CCOCC1 ZINC000534651205 328337446 /nfs/dbraw/zinc/33/74/46/328337446.db2.gz FPEWEEWAPGLLFG-UHFFFAOYSA-N 1 0 289.404 2.516 50 0 CFAARO Cc1ncccc1C(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000534666298 328345405 /nfs/dbraw/zinc/34/54/05/328345405.db2.gz CWSGPWFTJFNYBT-QGZVFWFLSA-N 1 0 297.402 2.813 50 0 CFAARO COCC[C@H](C)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000534666314 328345413 /nfs/dbraw/zinc/34/54/13/328345413.db2.gz ZKHDHRMMWSDJNZ-LBPRGKRZSA-N 1 0 290.363 2.865 50 0 CFAARO CC1(C)CCCC[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000097099906 323617892 /nfs/dbraw/zinc/61/78/92/323617892.db2.gz MDSXHARRCOKSDR-CYBMUJFWSA-N 1 0 261.369 2.579 50 0 CFAARO Cc1cccn2c(C[N@@H+]3CCC[C@H]3Cn3ccnc3)cnc12 ZINC000188411122 324014876 /nfs/dbraw/zinc/01/48/76/324014876.db2.gz NJDBWIIRYVYXOI-HNNXBMFYSA-N 1 0 295.390 2.504 50 0 CFAARO O[C@@H](C[NH+]1CCN(c2cccs2)CC1)C1CCCCC1 ZINC000191352179 324048326 /nfs/dbraw/zinc/04/83/26/324048326.db2.gz RMPVDZACPHZULK-HNNXBMFYSA-N 1 0 294.464 2.811 50 0 CFAARO C[C@@H](C[N@@H+]1CCC[C@@H](CC(N)=O)C1)c1ccc(F)cc1 ZINC000195573022 324109150 /nfs/dbraw/zinc/10/91/50/324109150.db2.gz JBNMCQKSYZBRLO-STQMWFEESA-N 1 0 278.371 2.517 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1nnc2ccccn21 ZINC000195568437 324109625 /nfs/dbraw/zinc/10/96/25/324109625.db2.gz AURXDHXIJGTNIW-ZIAGYGMSSA-N 1 0 270.380 2.811 50 0 CFAARO Clc1ccccc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019871950 326857552 /nfs/dbraw/zinc/85/75/52/326857552.db2.gz XYDUAQOXABFATD-CQSZACIVSA-N 1 0 250.773 2.524 50 0 CFAARO COc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000058203393 327010435 /nfs/dbraw/zinc/01/04/35/327010435.db2.gz IBZVLBTZAKOFKK-CYBMUJFWSA-N 1 0 291.395 2.547 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CC1(N(C)C)CCOCC1)CC2 ZINC000096477644 329526965 /nfs/dbraw/zinc/52/69/65/329526965.db2.gz FYBIXWJWJGGEBK-QGZVFWFLSA-N 1 0 288.435 2.683 50 0 CFAARO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cccn1C ZINC000096451802 533869491 /nfs/dbraw/zinc/86/94/91/533869491.db2.gz GPKVOCYLLUXYME-UHFFFAOYSA-N 1 0 271.364 2.647 50 0 CFAARO Cc1cc(C)cc(NC(=S)NC2CC[NH+](C)CC2)c1 ZINC000013775568 534083022 /nfs/dbraw/zinc/08/30/22/534083022.db2.gz OTJSIMWDILOGAF-UHFFFAOYSA-N 1 0 277.437 2.684 50 0 CFAARO CC(C)C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000085132288 519745820 /nfs/dbraw/zinc/74/58/20/519745820.db2.gz ZWYYRMMZCRDBOP-WDEREUQCSA-N 1 0 253.308 2.716 50 0 CFAARO Cc1ccsc1C[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000097657063 534469522 /nfs/dbraw/zinc/46/95/22/534469522.db2.gz XMPWUINSXWWHMZ-LBPRGKRZSA-N 1 0 261.394 2.910 50 0 CFAARO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000335190435 520528786 /nfs/dbraw/zinc/52/87/86/520528786.db2.gz DSCQDBSJQINNRY-JTQLQIEISA-N 1 0 257.761 2.916 50 0 CFAARO CCc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C ZINC000083817792 522441958 /nfs/dbraw/zinc/44/19/58/522441958.db2.gz DANSFLODBXBXOK-PWSUYJOCSA-N 1 0 252.383 2.550 50 0 CFAARO Cc1ncc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(C)n1 ZINC000096476344 534750347 /nfs/dbraw/zinc/75/03/47/534750347.db2.gz HJPZDZUFSZDIJC-SMDDNHRTSA-N 1 0 299.374 2.584 50 0 CFAARO CCc1ccc([C@@H](C)[NH2+]C[C@@H](c2cnn(C)c2)N(C)C)o1 ZINC000096477919 524025122 /nfs/dbraw/zinc/02/51/22/524025122.db2.gz SQAZMTDMSSZNNT-DOMZBBRYSA-N 1 0 290.411 2.529 50 0 CFAARO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1=CCCCC1 ZINC000245305026 524561506 /nfs/dbraw/zinc/56/15/06/524561506.db2.gz HQINMAFRBSYHGB-DZGCQCFKSA-N 1 0 264.413 2.676 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(Cl)s1 ZINC000035259042 524780195 /nfs/dbraw/zinc/78/01/95/524780195.db2.gz VWUOQBPZIRJYCF-SECBINFHSA-N 1 0 255.774 2.776 50 0 CFAARO CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CCSC2)cn1 ZINC000096499654 526583791 /nfs/dbraw/zinc/58/37/91/526583791.db2.gz WYPBQMPTOAUEJB-GFCCVEGCSA-N 1 0 266.410 2.854 50 0 CFAARO CC(C)(C)n1cc(C[N@H+](CCO)C2CCCCC2)cn1 ZINC000155143078 526919732 /nfs/dbraw/zinc/91/97/32/526919732.db2.gz MOJXCMHROKEAKP-UHFFFAOYSA-N 1 0 279.428 2.765 50 0 CFAARO CC(=O)Nc1ccccc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000096489404 527093142 /nfs/dbraw/zinc/09/31/42/527093142.db2.gz FFZLYJQBGZKPMQ-UHFFFAOYSA-N 1 0 289.423 2.561 50 0 CFAARO [NH3+]CCCCCC(=O)OCc1ccc(Cl)cc1 ZINC000087090983 527173050 /nfs/dbraw/zinc/17/30/50/527173050.db2.gz UJRTVEIKTAEWRP-UHFFFAOYSA-N 1 0 255.745 2.902 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCN(C)Cc1cncn1C1CC1 ZINC000252494841 545529634 /nfs/dbraw/zinc/52/96/34/545529634.db2.gz OGJGMRBZADGORH-AWEZNQCLSA-N 1 0 276.428 2.524 50 0 CFAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000236957685 567894386 /nfs/dbraw/zinc/89/43/86/567894386.db2.gz IACNNXRTEPOUFE-QMTHXVAHSA-N 1 0 280.799 2.598 50 0 CFAARO c1cc2c(cccc2C[N@@H+]2CC[C@@]3(CCOC3)C2)[nH]1 ZINC000093820782 574366821 /nfs/dbraw/zinc/36/68/21/574366821.db2.gz MRYQITRDQNDHSY-MRXNPFEDSA-N 1 0 256.349 2.780 50 0 CFAARO C[C@@H]1C[C@H](C)[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757216202 617891553 /nfs/dbraw/zinc/89/15/53/617891553.db2.gz YMKARCIVNQVYME-CSYMLDBXSA-N 1 0 264.335 2.694 50 0 CFAARO CC[C@@H](C)[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000154048029 617999562 /nfs/dbraw/zinc/99/95/62/617999562.db2.gz UIYHSJCIYQTKQM-CYBMUJFWSA-N 1 0 291.391 2.852 50 0 CFAARO CC[NH+](CC)CCOCCOc1ccccc1F ZINC000002896188 618081389 /nfs/dbraw/zinc/08/13/89/618081389.db2.gz MAGANPMETKWGJM-UHFFFAOYSA-N 1 0 255.333 2.563 50 0 CFAARO CCCOc1ccc(C(=O)OCC[NH+](CC)CC)c(O)c1 ZINC000002901406 618086770 /nfs/dbraw/zinc/08/67/70/618086770.db2.gz LVRANAHSKIDZOD-UHFFFAOYSA-N 1 0 295.379 2.680 50 0 CFAARO Cc1ccccc1O[C@H](C)CC[C@H](C)[NH2+]CCO ZINC000002931861 618095412 /nfs/dbraw/zinc/09/54/12/618095412.db2.gz QFKMWHPIUDSPJK-UONOGXRCSA-N 1 0 251.370 2.513 50 0 CFAARO CC(C)=CCC[C@H](C)C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000023281669 618359099 /nfs/dbraw/zinc/35/90/99/618359099.db2.gz HOQCKIUZQZMDSN-UONOGXRCSA-N 1 0 252.402 2.566 50 0 CFAARO C[N@@H+]1CC[C@](O)(c2ccccc2)[C@H]([C@@H](O)c2ccccc2)C1 ZINC000008612850 620383625 /nfs/dbraw/zinc/38/36/25/620383625.db2.gz BGKCTMYJKSVGSD-FHWLQOOXSA-N 1 0 297.398 2.560 50 0 CFAARO CC(C)Oc1cncc(-c2ccc([C@H]([NH3+])CO)cc2)c1 ZINC000906195021 621957067 /nfs/dbraw/zinc/95/70/67/621957067.db2.gz UOJYUORXAQBKRK-MRXNPFEDSA-N 1 0 272.348 2.528 50 0 CFAARO Cc1ccccc1C[C@H]([NH2+]CCCO)c1ccco1 ZINC000820805742 622761041 /nfs/dbraw/zinc/76/10/41/622761041.db2.gz QUSQCCWCOCINIB-HNNXBMFYSA-N 1 0 259.349 2.844 50 0 CFAARO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CCCO1 ZINC000180028166 624990572 /nfs/dbraw/zinc/99/05/72/624990572.db2.gz JGBPYTACMOKCAA-LBPRGKRZSA-N 1 0 291.420 2.759 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C(C)(C)CO)cc1C ZINC000012306031 626281587 /nfs/dbraw/zinc/28/15/87/626281587.db2.gz YFRFUESOBCUPHH-UHFFFAOYSA-N 1 0 273.380 2.554 50 0 CFAARO C[NH+]1CCC(N[C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000798179900 630160694 /nfs/dbraw/zinc/16/06/94/630160694.db2.gz SKVWZZAASCYRHV-CQSZACIVSA-N 1 0 280.799 2.595 50 0 CFAARO Cc1nc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)co1 ZINC000863950178 637821754 /nfs/dbraw/zinc/82/17/54/637821754.db2.gz AHZYODSXUJRCFY-UHFFFAOYSA-N 1 0 284.319 2.762 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000863983386 637832946 /nfs/dbraw/zinc/83/29/46/637832946.db2.gz GMVSSGJBFJNCEH-OLZOCXBDSA-N 1 0 268.426 2.872 50 0 CFAARO CCc1[nH]nc(Cl)c1C[NH2+]C[C@H](O)CC(C)(C)C ZINC000864094585 637874767 /nfs/dbraw/zinc/87/47/67/637874767.db2.gz ZFNQDLBCGXCPLI-SECBINFHSA-N 1 0 273.808 2.512 50 0 CFAARO Cc1cc(N2CC[C@H]([NH+](C)C)[C@H]2C)nc(C2CCC2)n1 ZINC000928996275 648972302 /nfs/dbraw/zinc/97/23/02/648972302.db2.gz RBXNXRCRADDVQU-OCCSQVGLSA-N 1 0 274.412 2.581 50 0 CFAARO CO[C@H]1CCCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000000758200 651113839 /nfs/dbraw/zinc/11/38/39/651113839.db2.gz ATOIFDNGIQBLAA-CABCVRRESA-N 1 0 251.345 2.915 50 0 CFAARO C(C1CCCCC1)[C@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000020774058 651300830 /nfs/dbraw/zinc/30/08/30/651300830.db2.gz ZGHJKJCNZUQEOW-INIZCTEOSA-N 1 0 267.413 2.837 50 0 CFAARO c1cnn(CCC[N@@H+]2CCO[C@H](CC3CCCCC3)C2)c1 ZINC000020999902 651302301 /nfs/dbraw/zinc/30/23/01/651302301.db2.gz MTYYUSFKNCGMCR-QGZVFWFLSA-N 1 0 291.439 2.944 50 0 CFAARO C/C(=C\C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1ccccc1F ZINC000585086652 776860386 /nfs/dbraw/zinc/86/03/86/776860386.db2.gz NVMXPXCIVUVHSJ-IRTDIPEASA-N 1 0 290.382 2.815 50 0 CFAARO Fc1cccc(C[NH+]2CCC(c3nnco3)CC2)c1 ZINC000585116059 776865654 /nfs/dbraw/zinc/86/56/54/776865654.db2.gz FYURGTFAKQZCCF-UHFFFAOYSA-N 1 0 261.300 2.588 50 0 CFAARO CC/C=C\CCC[N@@H+]1CCC[C@](C)(C(=O)NC)C1 ZINC000822293546 781896713 /nfs/dbraw/zinc/89/67/13/781896713.db2.gz ZINHGYAQGHEFPG-YVACAVLKSA-N 1 0 252.402 2.581 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000096444934 230374230 /nfs/dbraw/zinc/37/42/30/230374230.db2.gz MRCUNSDWLKCRET-BDJLRTHQSA-N 1 0 280.412 2.958 50 0 CFAARO c1cc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000096493341 230383299 /nfs/dbraw/zinc/38/32/99/230383299.db2.gz JSXNHWYWNMBTCY-MJBXVCDLSA-N 1 0 263.406 2.838 50 0 CFAARO Cc1cc(CNc2cc(C[NH+](C)C)ccn2)c(C)o1 ZINC000096495323 230383780 /nfs/dbraw/zinc/38/37/80/230383780.db2.gz CUYDPMIWRAXZRO-UHFFFAOYSA-N 1 0 259.353 2.965 50 0 CFAARO C[C@@H](c1ccc(-c2cncc(N(C)C)n2)cc1)[NH+](C)C ZINC000097657278 230386887 /nfs/dbraw/zinc/38/68/87/230386887.db2.gz SJLMPFCFPGXQRT-LBPRGKRZSA-N 1 0 270.380 2.832 50 0 CFAARO CC(C)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1[NH+](C)C ZINC000095523606 185003441 /nfs/dbraw/zinc/00/34/41/185003441.db2.gz MYMMKWCZQKDKKR-JKSUJKDBSA-N 1 0 290.407 2.841 50 0 CFAARO Cc1ccc(CNC(=O)CSCC[NH+]2CCCC2)s1 ZINC000222583696 230398000 /nfs/dbraw/zinc/39/80/00/230398000.db2.gz LPYTWYUSIRNSMK-UHFFFAOYSA-N 1 0 298.477 2.502 50 0 CFAARO CCCC(=O)c1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000095918184 185031105 /nfs/dbraw/zinc/03/11/05/185031105.db2.gz NJIDKWWZUWACSE-ZDUSSCGKSA-N 1 0 293.407 2.797 50 0 CFAARO COC[C@H]([NH2+]CCc1c[nH]c2ccc(F)cc12)C1CC1 ZINC000095968131 185046303 /nfs/dbraw/zinc/04/63/03/185046303.db2.gz JUWFUXUNAAGAKF-INIZCTEOSA-N 1 0 276.355 2.864 50 0 CFAARO CSC[C@](C)(O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000095968283 185046857 /nfs/dbraw/zinc/04/68/57/185046857.db2.gz UJERFHWRWFALCN-UONOGXRCSA-N 1 0 269.385 2.517 50 0 CFAARO CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000095968898 185047377 /nfs/dbraw/zinc/04/73/77/185047377.db2.gz OMHKUXCJDIJRMU-WFASDCNBSA-N 1 0 281.421 2.604 50 0 CFAARO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cccn1C ZINC000095978194 185052193 /nfs/dbraw/zinc/05/21/93/185052193.db2.gz ZIOWPWLIRYYBSP-BLLLJJGKSA-N 1 0 276.355 2.766 50 0 CFAARO CCC1(CO)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000095978954 185053093 /nfs/dbraw/zinc/05/30/93/185053093.db2.gz PJHZASWZECCQTP-UHFFFAOYSA-N 1 0 269.335 2.949 50 0 CFAARO Cc1cc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)ccc1O ZINC000095979209 185053136 /nfs/dbraw/zinc/05/31/36/185053136.db2.gz UDHINFXEVWTDMG-AVGNSLFASA-N 1 0 276.380 2.900 50 0 CFAARO C[C@H](C[N@@H+]1CC[C@H](O)C1)c1cccc(Br)c1 ZINC000095982636 185053923 /nfs/dbraw/zinc/05/39/23/185053923.db2.gz ALYJNZOALBKICX-MFKMUULPSA-N 1 0 284.197 2.619 50 0 CFAARO CC(C)([NH2+]CC(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000095985731 185055108 /nfs/dbraw/zinc/05/51/08/185055108.db2.gz YNODRWDUJHGBOB-UHFFFAOYSA-N 1 0 296.361 2.802 50 0 CFAARO CC(C)=CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000095984806 185055396 /nfs/dbraw/zinc/05/53/96/185055396.db2.gz OCTRSWPDIYGNRY-CYBMUJFWSA-N 1 0 296.436 2.554 50 0 CFAARO Cc1ccc(NC(=O)[C@]2(C)CCCO2)c(C[NH+](C)C)c1 ZINC000095991079 185058152 /nfs/dbraw/zinc/05/81/52/185058152.db2.gz GKXSNNOLSDETTH-INIZCTEOSA-N 1 0 276.380 2.564 50 0 CFAARO O=C(C[NH2+][C@H]1CCCSc2ccccc21)NCC1CC1 ZINC000095995900 185060407 /nfs/dbraw/zinc/06/04/07/185060407.db2.gz UKZSDWYLHCDCDB-AWEZNQCLSA-N 1 0 290.432 2.729 50 0 CFAARO COC(=O)C(C)(C)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000096005937 185062784 /nfs/dbraw/zinc/06/27/84/185062784.db2.gz BUBFAIRVUVHKLE-UHFFFAOYSA-N 1 0 290.338 2.663 50 0 CFAARO COC(=O)/C(C)=C\C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000096035344 185069798 /nfs/dbraw/zinc/06/97/98/185069798.db2.gz UODPEXMWVDODGJ-KUGGDMIFSA-N 1 0 259.349 2.725 50 0 CFAARO C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1cccc(Cl)c1 ZINC000000347741 282128776 /nfs/dbraw/zinc/12/87/76/282128776.db2.gz QKNJHOKHYFXNOT-TZMCWYRMSA-N 1 0 285.840 2.842 50 0 CFAARO CC[NH+]1CCC(CNC(=O)/C=C\c2ccccc2F)CC1 ZINC000096133871 185105079 /nfs/dbraw/zinc/10/50/79/185105079.db2.gz HMUBHYKLXFHALQ-FPLPWBNLSA-N 1 0 290.382 2.687 50 0 CFAARO [NH3+][C@@H]1CCN(Cc2ccc(SC(F)F)cc2)C1 ZINC000097019918 185153061 /nfs/dbraw/zinc/15/30/61/185153061.db2.gz YCZSMBRDLQBAEL-SNVBAGLBSA-N 1 0 258.337 2.534 50 0 CFAARO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000096990493 185148449 /nfs/dbraw/zinc/14/84/49/185148449.db2.gz YDQPJYDFXUNRAD-HNNXBMFYSA-N 1 0 281.371 2.576 50 0 CFAARO C[C@H]1CCCN(C(=O)C[NH2+]C2(c3cccc(F)c3)CC2)C1 ZINC000097033525 185155605 /nfs/dbraw/zinc/15/56/05/185155605.db2.gz YSADCKGSIPYHEY-ZDUSSCGKSA-N 1 0 290.382 2.663 50 0 CFAARO CCC[C@H](C[N@@H+]1CCCN(C(N)=O)CC1)c1ccccc1 ZINC000097033900 185156485 /nfs/dbraw/zinc/15/64/85/185156485.db2.gz SNMUUNNTMFQFKR-MRXNPFEDSA-N 1 0 289.423 2.657 50 0 CFAARO COc1ccc(-c2csc3[n+]2CCS3)cc1 ZINC000075250582 347062059 /nfs/dbraw/zinc/06/20/59/347062059.db2.gz NKFAWXOTEYKBHG-UHFFFAOYSA-N 1 0 250.368 2.817 50 0 CFAARO Cc1cccn2cc(C[NH2+][C@H](C)[C@@H](C)n3cccn3)nc12 ZINC000075606815 347086705 /nfs/dbraw/zinc/08/67/05/347086705.db2.gz WPGREUMKBZEQGF-ZIAGYGMSSA-N 1 0 283.379 2.579 50 0 CFAARO Cc1cc(N2CCC(C(=O)N3CCCCC3)CC2)cc[nH+]1 ZINC000095374076 136516519 /nfs/dbraw/zinc/51/65/19/136516519.db2.gz IRDIDEQXFKRKBS-UHFFFAOYSA-N 1 0 287.407 2.619 50 0 CFAARO C[NH+](C)CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000005976447 346213083 /nfs/dbraw/zinc/21/30/83/346213083.db2.gz DQPOMGIOFKWEDJ-UHFFFAOYSA-N 1 0 298.814 2.565 50 0 CFAARO O=C(CCCN1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000019361804 346241847 /nfs/dbraw/zinc/24/18/47/346241847.db2.gz PQLYZHNINGGVMB-INIZCTEOSA-N 1 0 290.382 2.569 50 0 CFAARO CCc1cccc(C)c1NC(=O)OCC[NH+](C)C ZINC000019861823 346243207 /nfs/dbraw/zinc/24/32/07/346243207.db2.gz VODKONMIOKKKET-UHFFFAOYSA-N 1 0 250.342 2.668 50 0 CFAARO c1ccc(CN2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000022027696 346246944 /nfs/dbraw/zinc/24/69/44/346246944.db2.gz PPNKXMOCNHODDI-UHFFFAOYSA-N 1 0 292.426 2.972 50 0 CFAARO CC(C)c1ccccc1OC/C=C/CN1CC[NH2+]CC1 ZINC000022916964 346250943 /nfs/dbraw/zinc/25/09/43/346250943.db2.gz DXJFYYCZPXFUTO-AATRIKPKSA-N 1 0 274.408 2.650 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC000098052825 185678144 /nfs/dbraw/zinc/67/81/44/185678144.db2.gz QOSKTQWCWJTWFG-MDTOGDBOSA-N 1 0 298.430 2.936 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000076056268 347115935 /nfs/dbraw/zinc/11/59/35/347115935.db2.gz QSVIODOJYUXPLV-DZKIICNBSA-N 1 0 274.408 2.984 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000076057282 347117392 /nfs/dbraw/zinc/11/73/92/347117392.db2.gz VCFCPRVLJNZDQT-XJKSGUPXSA-N 1 0 299.418 2.905 50 0 CFAARO C[NH+](C)C1(CNC(=O)CCC(F)(F)F)CCCCC1 ZINC000079281077 347295559 /nfs/dbraw/zinc/29/55/59/347295559.db2.gz VUMKTUMMKHKHFM-UHFFFAOYSA-N 1 0 280.334 2.710 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC000078897667 347278601 /nfs/dbraw/zinc/27/86/01/347278601.db2.gz WEJLMXGLJYXNON-PBHICJAKSA-N 1 0 288.435 2.986 50 0 CFAARO CC[N@H+](C[C@H](O)c1cc(C)ccc1C)C[C@H]1CCOC1 ZINC000078947568 347281227 /nfs/dbraw/zinc/28/12/27/347281227.db2.gz PNELGSQDNINNPI-WBVHZDCISA-N 1 0 277.408 2.695 50 0 CFAARO COc1ccccc1[C@H]1CC[N@H+](CCCc2cn[nH]c2)C1 ZINC000078950176 347281257 /nfs/dbraw/zinc/28/12/57/347281257.db2.gz XTXSMLLKGFXORG-HNNXBMFYSA-N 1 0 285.391 2.840 50 0 CFAARO CS[C@H]1CCC[C@@H]1[N@H+](C)Cc1cnc(C)cn1 ZINC000078947986 347281426 /nfs/dbraw/zinc/28/14/26/347281426.db2.gz VNIICUPKSUMGCH-STQMWFEESA-N 1 0 251.399 2.501 50 0 CFAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000084736330 347470222 /nfs/dbraw/zinc/47/02/22/347470222.db2.gz ARXAIHWOFVIZCM-CZUORRHYSA-N 1 0 290.407 2.715 50 0 CFAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000084736331 347470412 /nfs/dbraw/zinc/47/04/12/347470412.db2.gz ARXAIHWOFVIZCM-XJKSGUPXSA-N 1 0 290.407 2.715 50 0 CFAARO C[C@H](C[NH2+][C@H]1CCO[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911693 347563016 /nfs/dbraw/zinc/56/30/16/347563016.db2.gz DZBPNPOHHXTWNR-DYEKYZERSA-N 1 0 287.363 2.607 50 0 CFAARO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000093613464 347680881 /nfs/dbraw/zinc/68/08/81/347680881.db2.gz VMPAYBWKKNSWLH-CABCVRRESA-N 1 0 295.448 2.808 50 0 CFAARO CCOC(=O)[C@@]1([NH+]2CCCCC2)CCCC[C@H]1C ZINC000096026491 347700270 /nfs/dbraw/zinc/70/02/70/347700270.db2.gz NWZRDHYUYXTYJP-UKRRQHHQSA-N 1 0 253.386 2.984 50 0 CFAARO COC(=O)NCCCCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000096027362 347700284 /nfs/dbraw/zinc/70/02/84/347700284.db2.gz TYEXSNSCDAMGCR-CHWSQXEVSA-N 1 0 256.390 2.776 50 0 CFAARO CCOC(=O)[C@H](C1CCCCC1)[NH+]1CCCCC1 ZINC000096026397 347700337 /nfs/dbraw/zinc/70/03/37/347700337.db2.gz QEUVJRIXPXLCIB-AWEZNQCLSA-N 1 0 253.386 2.984 50 0 CFAARO C[C@H](O)C[NH2+]CCOC(c1ccccc1)c1ccccc1 ZINC000096026373 347700421 /nfs/dbraw/zinc/70/04/21/347700421.db2.gz UPOYNHPPAYSBAR-HNNXBMFYSA-N 1 0 285.387 2.763 50 0 CFAARO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccncc1 ZINC000097230500 347707805 /nfs/dbraw/zinc/70/78/05/347707805.db2.gz MLRHPNGULYVWEX-KBXCAEBGSA-N 1 0 282.387 2.956 50 0 CFAARO Cc1cccc(C2CC([NH2+]C[C@]3(CCO)CCOC3)C2)c1 ZINC000097373013 347708336 /nfs/dbraw/zinc/70/83/36/347708336.db2.gz GSWTVVGZSXSSIN-ABHNRTSZSA-N 1 0 289.419 2.620 50 0 CFAARO COc1ccc([C@H](CCO)[NH2+][C@@H]2CCCSC2)cc1 ZINC000097370895 347708340 /nfs/dbraw/zinc/70/83/40/347708340.db2.gz USTRMAIWOULYKI-HIFRSBDPSA-N 1 0 281.421 2.604 50 0 CFAARO C[N@H+](CCc1ccncc1)Cc1nc2c(s1)CCC2 ZINC000097375322 347709318 /nfs/dbraw/zinc/70/93/18/347709318.db2.gz LXKBBPYAWAKUHD-UHFFFAOYSA-N 1 0 273.405 2.701 50 0 CFAARO C[C@H](CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccsc1 ZINC000097376401 347709462 /nfs/dbraw/zinc/70/94/62/347709462.db2.gz RMEAXPWSZONHEV-DOMZBBRYSA-N 1 0 292.448 2.842 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@H]1CO ZINC000110687913 347749219 /nfs/dbraw/zinc/74/92/19/347749219.db2.gz BJTPNQCWZRTZIG-XBFCOCLRSA-N 1 0 253.411 2.820 50 0 CFAARO C[C@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1cccs1 ZINC000127258559 347840536 /nfs/dbraw/zinc/84/05/36/347840536.db2.gz BREWKXKEGKLCQM-IUODEOHRSA-N 1 0 292.448 2.842 50 0 CFAARO Cc1ccccc1C1CC([NH2+][C@@H](C)CCS(C)(=O)=O)C1 ZINC000127857281 347845006 /nfs/dbraw/zinc/84/50/06/347845006.db2.gz BQZWKHUKEVIZSY-NFOMZHRRSA-N 1 0 295.448 2.654 50 0 CFAARO CCC[NH+]1CCC(Nc2c[nH]nc2-c2ccccn2)CC1 ZINC000132789264 347886836 /nfs/dbraw/zinc/88/68/36/347886836.db2.gz MMZLTJNNVUJVQA-UHFFFAOYSA-N 1 0 285.395 2.758 50 0 CFAARO CC[C@]1(C(=O)Nc2ccc3[nH]c(C)cc3c2)CCC[NH2+]1 ZINC000134394709 347897227 /nfs/dbraw/zinc/89/72/27/347897227.db2.gz FMNSZKYZCGBCGN-MRXNPFEDSA-N 1 0 271.364 2.947 50 0 CFAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(C)C ZINC000142788636 347935340 /nfs/dbraw/zinc/93/53/40/347935340.db2.gz GTOYZBDEDDTTGA-LSDHHAIUSA-N 1 0 261.365 2.564 50 0 CFAARO CC(C)c1ccc([C@@H]2C[C@H]2NC(=O)C(C)(C)C[NH3+])cc1 ZINC000170048958 348053618 /nfs/dbraw/zinc/05/36/18/348053618.db2.gz DKZYOGBJDDRYLJ-LSDHHAIUSA-N 1 0 274.408 2.767 50 0 CFAARO CC(C)[NH+]1CCC(Nc2cccc3c2OCCO3)CC1 ZINC000170594026 348054954 /nfs/dbraw/zinc/05/49/54/348054954.db2.gz BKORRVFZQVCVJQ-UHFFFAOYSA-N 1 0 276.380 2.743 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCn2ncnc21 ZINC000170604377 348056065 /nfs/dbraw/zinc/05/60/65/348056065.db2.gz PDMKGYBQJWLPHY-BFHYXJOUSA-N 1 0 260.385 2.695 50 0 CFAARO CCc1nn(C)cc1CNc1c[nH+]ccc1N1CCCC1 ZINC000170609075 348056680 /nfs/dbraw/zinc/05/66/80/348056680.db2.gz LVCHNGHZPTWPQQ-UHFFFAOYSA-N 1 0 285.395 2.590 50 0 CFAARO Nc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)n1 ZINC000170616830 348057643 /nfs/dbraw/zinc/05/76/43/348057643.db2.gz GNUWVTWPEOSLSL-KRWDZBQOSA-N 1 0 297.402 2.845 50 0 CFAARO CCCc1nc(C[NH2+][C@H](C)[C@@H]2CCCO2)cs1 ZINC000183121014 348125981 /nfs/dbraw/zinc/12/59/81/348125981.db2.gz VNPQPSBOJZHYCA-PWSUYJOCSA-N 1 0 254.399 2.753 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCOC1=O ZINC000189501343 348133861 /nfs/dbraw/zinc/13/38/61/348133861.db2.gz AXXOQCCFKOISLR-JHJVBQTASA-N 1 0 271.426 2.594 50 0 CFAARO Cc1ccc(F)cc1C[NH2+][C@@H](C)CCN1CCCC1=O ZINC000195552852 348146071 /nfs/dbraw/zinc/14/60/71/348146071.db2.gz MYBBGDIGSWBULH-ZDUSSCGKSA-N 1 0 278.371 2.625 50 0 CFAARO CC(C)COC(=O)N1CCC([NH2+]C2(C)CCC2)CC1 ZINC000195552157 348146219 /nfs/dbraw/zinc/14/62/19/348146219.db2.gz SHGLBOJDOIHYPP-UHFFFAOYSA-N 1 0 268.401 2.776 50 0 CFAARO Cc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)cc1Cl ZINC000225585391 348178411 /nfs/dbraw/zinc/17/84/11/348178411.db2.gz PXHPMBAXAJQNMK-AWEZNQCLSA-N 1 0 253.773 2.853 50 0 CFAARO c1cnn(Cc2ccccc2C[NH2+][C@@H]2CCSC2)c1 ZINC000236613147 348234600 /nfs/dbraw/zinc/23/46/00/348234600.db2.gz UCVMZZPSKLIXRH-OAHLLOKOSA-N 1 0 273.405 2.527 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCSC1)[C@H](O)c1ccc(F)c(F)c1 ZINC000253370534 348300905 /nfs/dbraw/zinc/30/09/05/348300905.db2.gz SDBPWLJDPKPMAT-CHIMOYNISA-N 1 0 287.375 2.872 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000254631812 348301906 /nfs/dbraw/zinc/30/19/06/348301906.db2.gz QOSKTQWCWJTWFG-ZTNYTRGMSA-N 1 0 298.430 2.936 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000409421124 348600565 /nfs/dbraw/zinc/60/05/65/348600565.db2.gz LPKJCWJTKIGPFF-CQSZACIVSA-N 1 0 273.336 2.570 50 0 CFAARO COc1ccc(C(=O)N2CC[C@@H](n3c(C)c[nH+]c3C)C2)cc1 ZINC000409421104 348600581 /nfs/dbraw/zinc/60/05/81/348600581.db2.gz HYDBUIHMCWQDCK-OAHLLOKOSA-N 1 0 299.374 2.596 50 0 CFAARO CC(C)c1cnc(NC[C@@H](C(C)C)[NH+](C)C)nc1 ZINC000584884644 348726635 /nfs/dbraw/zinc/72/66/35/348726635.db2.gz MWSDWUDQSSVILD-ZDUSSCGKSA-N 1 0 250.390 2.598 50 0 CFAARO Cc1[nH]c2c(cc(F)cc2F)c1CC[NH2+][C@H]1CCOC1 ZINC000584895022 348730321 /nfs/dbraw/zinc/73/03/21/348730321.db2.gz COBPDQQPELJHAS-NSHDSACASA-N 1 0 280.318 2.676 50 0 CFAARO Cc1ccc(O)cc1C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000584897079 348731267 /nfs/dbraw/zinc/73/12/67/348731267.db2.gz JZJWMMLPZKRNBZ-UHFFFAOYSA-N 1 0 290.407 2.647 50 0 CFAARO Cc1nn(CCC[NH2+]C2CSCCSC2)c(C)c1C ZINC000584898673 348731329 /nfs/dbraw/zinc/73/13/29/348731329.db2.gz PEXJDEITORFUIV-UHFFFAOYSA-N 1 0 299.509 2.637 50 0 CFAARO CC[C@@H](Cn1cnc2c(C)cc(Cl)cc2c1=O)[NH+](C)C ZINC000584900921 348732697 /nfs/dbraw/zinc/73/26/97/348732697.db2.gz CTBFSRXUCNIDCU-LBPRGKRZSA-N 1 0 293.798 2.699 50 0 CFAARO Cc1ccc2[nH]c(C[NH2+]C3CSCCSC3)nc2c1 ZINC000584902320 348732814 /nfs/dbraw/zinc/73/28/14/348732814.db2.gz DCUBCBIGLNEESX-UHFFFAOYSA-N 1 0 293.461 2.810 50 0 CFAARO Cc1cc(C)cc(N2CCC([NH2+][C@@H]3CCN(C)C3)CC2)c1 ZINC000584901118 348732898 /nfs/dbraw/zinc/73/28/98/348732898.db2.gz ODFVGYMNEWOARB-QGZVFWFLSA-N 1 0 287.451 2.566 50 0 CFAARO CCC1(CO)CC[NH+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000584902420 348733002 /nfs/dbraw/zinc/73/30/02/348733002.db2.gz BHAZWVRASGDSSB-QGZVFWFLSA-N 1 0 288.435 2.750 50 0 CFAARO C[C@@H]([NH2+]Cc1noc2c1CCCC2)[C@@H]1CCCCO1 ZINC000585136531 348736649 /nfs/dbraw/zinc/73/66/49/348736649.db2.gz JQOAHWLBYYBEFP-RISCZKNCSA-N 1 0 264.369 2.601 50 0 CFAARO CN(C)c1cc(NCc2ccc(Cl)cc2)ncn1 ZINC000585150551 348737598 /nfs/dbraw/zinc/73/75/98/348737598.db2.gz PUCBZBXRHZOJBL-UHFFFAOYSA-N 1 0 262.744 2.808 50 0 CFAARO O=C(OCc1ccccc1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000091302500 180129259 /nfs/dbraw/zinc/12/92/59/180129259.db2.gz ZYXDSFNOXAXADW-MRXNPFEDSA-N 1 0 274.364 2.541 50 0 CFAARO C[N@@H+]1C[C@H](NC(=O)c2ccc(F)cc2Cl)[C@@H](C2CC2)C1 ZINC000091526133 180178811 /nfs/dbraw/zinc/17/88/11/180178811.db2.gz HANWEQFXFGABJS-OCCSQVGLSA-N 1 0 296.773 2.549 50 0 CFAARO CCc1ccc(CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000091546320 180186962 /nfs/dbraw/zinc/18/69/62/180186962.db2.gz ZAYHDCBPOJWKJN-HZPDHXFCSA-N 1 0 286.419 2.867 50 0 CFAARO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091631200 180210557 /nfs/dbraw/zinc/21/05/57/180210557.db2.gz IUJKOQGSXTWORL-CQSZACIVSA-N 1 0 297.406 2.696 50 0 CFAARO C[C@H](Cc1ccsc1)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091663140 180219686 /nfs/dbraw/zinc/21/96/86/180219686.db2.gz KNDAEMMYGXZKJP-CYBMUJFWSA-N 1 0 292.448 2.671 50 0 CFAARO C[C@@H]1C[N@H+](Cc2ccsc2)CC[C@@]1(O)C1CCOCC1 ZINC000091665449 180221058 /nfs/dbraw/zinc/22/10/58/180221058.db2.gz GDEJMBBYTDWLMZ-CJNGLKHVSA-N 1 0 295.448 2.748 50 0 CFAARO Cc1cc(N[C@@H](CC(C)C)c2cccnc2)nc(N)[nH+]1 ZINC000091625144 180209360 /nfs/dbraw/zinc/20/93/60/180209360.db2.gz ICPJHYKUAVDGMG-ZDUSSCGKSA-N 1 0 271.368 2.962 50 0 CFAARO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccon1 ZINC000091788263 180256670 /nfs/dbraw/zinc/25/66/70/180256670.db2.gz CPFLQPMLHMSKJS-UHFFFAOYSA-N 1 0 285.347 2.565 50 0 CFAARO Fc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000019943989 282979343 /nfs/dbraw/zinc/97/93/43/282979343.db2.gz VFOFMUYLFYVAQY-UHFFFAOYSA-N 1 0 265.328 2.601 50 0 CFAARO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000091960555 180292316 /nfs/dbraw/zinc/29/23/16/180292316.db2.gz LBUXPBUYIHWUKQ-PBHICJAKSA-N 1 0 297.402 2.901 50 0 CFAARO CC(C)[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1[NH3+] ZINC000091871761 180278001 /nfs/dbraw/zinc/27/80/01/180278001.db2.gz DTUUKDIBXNDWHH-MNOVXSKESA-N 1 0 273.302 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CCOCCC[N@@H+]1CC[C@@H](Nc2ccccn2)[C@H](C)C1 ZINC000084801271 540209888 /nfs/dbraw/zinc/20/98/88/540209888.db2.gz MZIUZDABHUDNKE-HUUCEWRRSA-N 1 0 277.412 2.631 50 0 CFAARO CN1c2ccccc2C(=O)NC12CC[NH+](C1CCCC1)CC2 ZINC000069775297 283264494 /nfs/dbraw/zinc/26/44/94/283264494.db2.gz PHYKBHGIJLSGEZ-UHFFFAOYSA-N 1 0 299.418 2.601 50 0 CFAARO Cc1ncc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)s1 ZINC000090399557 540361703 /nfs/dbraw/zinc/36/17/03/540361703.db2.gz FMCZLNOFUIMBHH-PWSUYJOCSA-N 1 0 290.388 2.942 50 0 CFAARO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249285183 283325078 /nfs/dbraw/zinc/32/50/78/283325078.db2.gz PAZDUNOFRLQDLK-RHYQMDGZSA-N 1 0 292.345 2.741 50 0 CFAARO O[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)c1ccncc1 ZINC000091402512 540395478 /nfs/dbraw/zinc/39/54/78/540395478.db2.gz BVPKOTPVYHZQNR-DLBZAZTESA-N 1 0 268.360 2.856 50 0 CFAARO O[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)c1ccncc1 ZINC000091402511 540395484 /nfs/dbraw/zinc/39/54/84/540395484.db2.gz 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ZINC000670444353 540996710 /nfs/dbraw/zinc/99/67/10/540996710.db2.gz XUDKAXWCTVMYAW-OAHLLOKOSA-N 1 0 285.391 2.733 50 0 CFAARO Cc1cccc(Cl)c1OCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000670443126 540996964 /nfs/dbraw/zinc/99/69/64/540996964.db2.gz PEKUDOBGJLFQFI-CYBMUJFWSA-N 1 0 283.799 2.874 50 0 CFAARO Cc1nccc(C2CC[NH+](Cc3ccoc3)CC2)n1 ZINC000670455285 541001189 /nfs/dbraw/zinc/00/11/89/541001189.db2.gz MVXVSFDYQMTIOO-UHFFFAOYSA-N 1 0 257.337 2.758 50 0 CFAARO CSCCC(=O)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000670455632 541001473 /nfs/dbraw/zinc/00/14/73/541001473.db2.gz KZAMRUUSNOUPDE-UHFFFAOYSA-N 1 0 284.469 2.654 50 0 CFAARO Cc1cc(C)n(CCC[N@@H+](C)C2CSCCSC2)n1 ZINC000670466117 541006301 /nfs/dbraw/zinc/00/63/01/541006301.db2.gz DYQKGZQFOJFRDU-UHFFFAOYSA-N 1 0 299.509 2.670 50 0 CFAARO O[C@@]1(c2ccccc2)CC[N@H+](CCOCc2ccccc2)C1 ZINC000670467780 541007409 /nfs/dbraw/zinc/00/74/09/541007409.db2.gz XHJYATIVWVFIMI-IBGZPJMESA-N 1 0 297.398 2.797 50 0 CFAARO CN1CCC2(CC[NH+](CCC(F)(F)F)CC2)CCC1=O 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ZINC000215925762 189697992 /nfs/dbraw/zinc/69/79/92/189697992.db2.gz CMZURHAFDFYNCG-UHFFFAOYSA-N 1 0 284.325 2.774 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(s1)CCC2 ZINC000040534786 284061563 /nfs/dbraw/zinc/06/15/63/284061563.db2.gz AEDDVQPWBFHVIR-CHWSQXEVSA-N 1 0 290.432 2.593 50 0 CFAARO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc(Cl)n1 ZINC000225639849 189760699 /nfs/dbraw/zinc/76/06/99/189760699.db2.gz ZGVHFOZGICWHPV-JQWIXIFHSA-N 1 0 254.761 2.558 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000229405556 189798320 /nfs/dbraw/zinc/79/83/20/189798320.db2.gz QOYMBBLLOHUKCU-XJKSGUPXSA-N 1 0 272.392 2.738 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000233847006 189820549 /nfs/dbraw/zinc/82/05/49/189820549.db2.gz FCSGEEWUCRFXNN-HUUCEWRRSA-N 1 0 265.422 2.943 50 0 CFAARO O=C(OCC[NH+]1CCCCC1)c1c[nH]c2ccccc12 ZINC000000014457 371507541 /nfs/dbraw/zinc/50/75/41/371507541.db2.gz YGKPIROTKVQCCU-UHFFFAOYSA-N 1 0 272.348 2.811 50 0 in-vivo CFAARO Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000000000106 371507901 /nfs/dbraw/zinc/50/79/01/371507901.db2.gz HQIRNZOQPUAHHV-NSHDSACASA-N 1 0 271.788 2.776 50 0 world CFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)cc1C ZINC000000064558 371522019 /nfs/dbraw/zinc/52/20/19/371522019.db2.gz VDZCJZXRDHODAB-MRXNPFEDSA-N 1 0 277.408 2.775 50 0 CFAARO C[NH+]1C(C)(C)CC(NC(=O)c2ccco2)CC1(C)C ZINC000000128635 371536835 /nfs/dbraw/zinc/53/68/35/371536835.db2.gz HNSXUDDDKURXOU-UHFFFAOYSA-N 1 0 264.369 2.661 50 0 CFAARO COc1cccc(C(=O)OCC[N@H+](C)Cc2ccccc2)c1 ZINC000000174333 371550198 /nfs/dbraw/zinc/55/01/98/371550198.db2.gz AOLAVHDFZONPRH-UHFFFAOYSA-N 1 0 299.370 2.984 50 0 CFAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000000210907 371559058 /nfs/dbraw/zinc/55/90/58/371559058.db2.gz BURFTISEHCNLAU-HNNXBMFYSA-N 1 0 277.408 2.820 50 0 CFAARO CCC[NH+]1CCC(N(C)C[C@H](O)c2ccccc2)CC1 ZINC000000214838 371560444 /nfs/dbraw/zinc/56/04/44/371560444.db2.gz XCWDJFZIQMPNKJ-KRWDZBQOSA-N 1 0 276.424 2.526 50 0 CFAARO COc1ccccc1/C=C/C[N@H+](C)C1CCN(C)CC1 ZINC000000215875 371561168 /nfs/dbraw/zinc/56/11/68/371561168.db2.gz SQIOZJSIUCVGBS-SOFGYWHQSA-N 1 0 274.408 2.734 50 0 CFAARO Nc1cccc(C(=O)OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000000235055 371562388 /nfs/dbraw/zinc/56/23/88/371562388.db2.gz QMUPZBBJTKGJIF-ZBFHGGJFSA-N 1 0 288.391 2.690 50 0 CFAARO Nc1[nH+]c2ccccc2n1CCOc1ccccc1 ZINC000000233366 371562859 /nfs/dbraw/zinc/56/28/59/371562859.db2.gz LNZRCKYWSUBHGZ-UHFFFAOYSA-N 1 0 253.305 2.698 50 0 CFAARO CCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000000277432 371577184 /nfs/dbraw/zinc/57/71/84/371577184.db2.gz MTCJFNPIGYILFW-UHFFFAOYSA-N 1 0 272.186 2.653 50 0 CFAARO Cc1cc[nH+]c(NC[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000000302160 371582638 /nfs/dbraw/zinc/58/26/38/371582638.db2.gz LHQUTNOYMLODJZ-ZDUSSCGKSA-N 1 0 292.766 2.895 50 0 CFAARO C[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000000316420 371585834 /nfs/dbraw/zinc/58/58/34/371585834.db2.gz BMXPXGQKTHPCSB-OAHLLOKOSA-N 1 0 273.424 2.778 50 0 CFAARO OC(c1ccc(F)cc1)(c1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000000384779 371602062 /nfs/dbraw/zinc/60/20/62/371602062.db2.gz MFOIELLUBQRIOJ-MRXNPFEDSA-N 1 0 289.325 2.953 50 0 CFAARO COc1ccc(CC[NH3+])cc1OCc1ccccc1 ZINC000000391624 371603094 /nfs/dbraw/zinc/60/30/94/371603094.db2.gz HGPYIHOTQGSJAJ-UHFFFAOYSA-N 1 0 257.333 2.775 50 0 CFAARO Nc1cc(N)[nH+]c(SCc2ccccc2Cl)n1 ZINC000000422476 371611636 /nfs/dbraw/zinc/61/16/36/371611636.db2.gz BTRANDQYVJFZIW-UHFFFAOYSA-N 1 0 266.757 2.587 50 0 CFAARO c1ccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000001279206 371665404 /nfs/dbraw/zinc/66/54/04/371665404.db2.gz OIUXDNFIIPLWDV-LLVKDONJSA-N 1 0 261.350 2.786 50 0 CFAARO NC(=[NH2+])CSc1ncc(C(F)(F)F)cc1Cl ZINC000001401266 371672144 /nfs/dbraw/zinc/67/21/44/371672144.db2.gz ZLKYUTXSFGSYHM-UHFFFAOYSA-N 1 0 269.679 2.782 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccco2)CC1 ZINC000001495005 371676948 /nfs/dbraw/zinc/67/69/48/371676948.db2.gz FMYHQCQBDNMUDS-UHFFFAOYSA-N 1 0 280.368 2.769 50 0 CFAARO [NH3+]CCc1nnc(SCc2ccc(Cl)cc2)o1 ZINC000000532930 371637236 /nfs/dbraw/zinc/63/72/36/371637236.db2.gz KFPJPSWQJXTPMX-UHFFFAOYSA-N 1 0 269.757 2.517 50 0 CFAARO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1F ZINC000000758721 371649195 /nfs/dbraw/zinc/64/91/95/371649195.db2.gz BITBGINDMVZMSC-HUUCEWRRSA-N 1 0 251.345 2.915 50 0 CFAARO CC[NH+](CC)CCCNc1ncnc2ccccc21 ZINC000001771417 371706866 /nfs/dbraw/zinc/70/68/66/371706866.db2.gz WSNJCFGWYFJTCL-UHFFFAOYSA-N 1 0 258.369 2.774 50 0 CFAARO C[C@H](C[NH+](C)C)[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000002018982 371714038 /nfs/dbraw/zinc/71/40/38/371714038.db2.gz KVHHQGIIZCJATJ-RISCZKNCSA-N 1 0 255.789 2.831 50 0 endogenous,world CFAARO [NH3+]CC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000002506582 371730081 /nfs/dbraw/zinc/73/00/81/371730081.db2.gz KISVATOISQDZJU-UHFFFAOYSA-N 1 0 252.361 2.667 50 0 CFAARO C[C@H](O)c1cccc2cc([C@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000002540780 371734913 /nfs/dbraw/zinc/73/49/13/371734913.db2.gz GTYMTYBCXVOBBB-GXFFZTMASA-N 1 0 277.364 2.908 50 0 in-vitro CFAARO CC[NH+](CC)CC(C)(C)COC(=O)c1ccc(N)cc1 ZINC000001695364 371698646 /nfs/dbraw/zinc/69/86/46/371698646.db2.gz OWQIUQKMMPDHQQ-UHFFFAOYSA-N 1 0 278.396 2.794 50 0 in-vitro CFAARO COc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000003318110 371791284 /nfs/dbraw/zinc/79/12/84/371791284.db2.gz XUBRZIFGLLYGQT-INIZCTEOSA-N 1 0 298.386 2.728 50 0 CFAARO C[NH+](C)CCNC(=O)NC(c1ccccc1)c1ccccc1 ZINC000002683904 371746771 /nfs/dbraw/zinc/74/67/71/371746771.db2.gz PYTCBTPPVRMHJV-UHFFFAOYSA-N 1 0 297.402 2.637 50 0 CFAARO CC[NH+](CC)CCCNC(=O)c1ccccc1Cl ZINC000002741585 371750198 /nfs/dbraw/zinc/75/01/98/371750198.db2.gz VWELKLJPPHNJKD-UHFFFAOYSA-N 1 0 268.788 2.802 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1OC ZINC000002760509 371751342 /nfs/dbraw/zinc/75/13/42/371751342.db2.gz IHBVGDQTDXOJDM-UHFFFAOYSA-N 1 0 294.395 2.764 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000002764907 371751918 /nfs/dbraw/zinc/75/19/18/371751918.db2.gz CHFNDTLLXQWWQQ-UHFFFAOYSA-N 1 0 252.333 2.886 50 0 CFAARO COc1ccccc1OCCOCC[N@@H+]1CCC[C@@H](C)C1 ZINC000002822037 371756712 /nfs/dbraw/zinc/75/67/12/371756712.db2.gz NNTARELTETYMDF-OAHLLOKOSA-N 1 0 293.407 2.823 50 0 CFAARO O=C(NC1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000002828183 371757235 /nfs/dbraw/zinc/75/72/35/371757235.db2.gz UQJYOSDRGOYDFE-UHFFFAOYSA-N 1 0 286.419 2.957 50 0 CFAARO COc1ccccc1OCCOCC[N@@H+]1CCC[C@H](C)C1 ZINC000002822036 371757748 /nfs/dbraw/zinc/75/77/48/371757748.db2.gz NNTARELTETYMDF-HNNXBMFYSA-N 1 0 293.407 2.823 50 0 CFAARO C[NH+]1CCC(OC(=O)c2cccc(Cl)c2)CC1 ZINC000002837020 371759068 /nfs/dbraw/zinc/75/90/68/371759068.db2.gz DEBKOGNIISILTK-UHFFFAOYSA-N 1 0 253.729 2.591 50 0 CFAARO Cc1cccc(OCCCCCC[NH2+]CCO)c1C ZINC000002901427 371762708 /nfs/dbraw/zinc/76/27/08/371762708.db2.gz DHDCNKOFDGHEGM-UHFFFAOYSA-N 1 0 265.397 2.825 50 0 CFAARO C[NH+](C)CCCNC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000002899325 371762927 /nfs/dbraw/zinc/76/29/27/371762927.db2.gz TWZZTFDWLZJSSG-KOLCDFICSA-N 1 0 293.238 2.646 50 0 CFAARO COCC[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000003003396 371769137 /nfs/dbraw/zinc/76/91/37/371769137.db2.gz YMQAQQSQTHXJSN-UHFFFAOYSA-N 1 0 264.152 2.608 50 0 CFAARO CC[C@H](C)c1ccccc1OCCC[NH2+]CCO ZINC000003001816 371769292 /nfs/dbraw/zinc/76/92/92/371769292.db2.gz OGVINUKNZFOOJM-ZDUSSCGKSA-N 1 0 251.370 2.551 50 0 CFAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000003036121 371769962 /nfs/dbraw/zinc/76/99/62/371769962.db2.gz TYCMJYMXEBXFMF-UHFFFAOYSA-N 1 0 299.374 2.674 50 0 CFAARO CCCOc1ccc(CNCCC[NH+](C)C)cc1OC ZINC000002640176 371742767 /nfs/dbraw/zinc/74/27/67/371742767.db2.gz DOFQXGKPXVYMKO-UHFFFAOYSA-N 1 0 280.412 2.525 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCc1ccccc1 ZINC000004031275 371829216 /nfs/dbraw/zinc/82/92/16/371829216.db2.gz NQORPPOOEJKAEV-INMHGKMJSA-N 1 0 277.408 2.827 50 0 CFAARO C[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000003420075 371798199 /nfs/dbraw/zinc/79/81/99/371798199.db2.gz IBFJNXZHLRLILS-ZDUSSCGKSA-N 1 0 278.371 2.879 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH+]2CCCC2)cc(C)c1Cl ZINC000003683256 371815182 /nfs/dbraw/zinc/81/51/82/371815182.db2.gz FEJUJKCTEUMYFB-ZDUSSCGKSA-N 1 0 283.799 2.792 50 0 CFAARO CCOC(=O)c1ccc2c(c1)[N+](=O)C(c1ccccc1)C2=O ZINC000003845120 371819134 /nfs/dbraw/zinc/81/91/34/371819134.db2.gz OTXCVAVYNNGUHV-UHFFFAOYSA-N 1 0 295.294 2.691 50 0 CFAARO CC(C)[NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003887879 371823069 /nfs/dbraw/zinc/82/30/69/371823069.db2.gz XAUJKMDBSWUKHM-UHFFFAOYSA-N 1 0 251.717 2.888 50 0 CFAARO CCCCC[NH2+]CC(=O)N1CCc2ccccc2[C@@H]1C ZINC000004379085 371853720 /nfs/dbraw/zinc/85/37/20/371853720.db2.gz YJIRNIXNEQDSMK-AWEZNQCLSA-N 1 0 274.408 2.912 50 0 CFAARO C1=CC[C@H]([C@H]2OC[C@@H](C[NH+]3CCCCC3)O2)CC1 ZINC000004124612 371835834 /nfs/dbraw/zinc/83/58/34/371835834.db2.gz NENUGJWNMCYKJE-ZNMIVQPWSA-N 1 0 251.370 2.570 50 0 CFAARO O=C(CC[NH+]1CCCCCC1)c1ccc2c(c1)OCO2 ZINC000004128207 371835987 /nfs/dbraw/zinc/83/59/87/371835987.db2.gz LDRLNUXSVCRYJN-UHFFFAOYSA-N 1 0 275.348 2.864 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000004167139 371838899 /nfs/dbraw/zinc/83/88/99/371838899.db2.gz HOTLIFUDQTYBKZ-JKSUJKDBSA-N 1 0 277.408 2.918 50 0 CFAARO CSc1ccc(CN2CCO[C@H](CC[NH+](C)C)C2)cc1 ZINC000011996638 371940010 /nfs/dbraw/zinc/94/00/10/371940010.db2.gz KEOAWLUEGHQKPG-OAHLLOKOSA-N 1 0 294.464 2.561 50 0 CFAARO CSc1nc2c3c(sc2c(NCC[NH3+])n1)CCCC3 ZINC000006719835 371891414 /nfs/dbraw/zinc/89/14/14/371891414.db2.gz LMIQCPXDGCFMNQ-UHFFFAOYSA-N 1 0 294.449 2.663 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2)C1 ZINC000010542830 371912231 /nfs/dbraw/zinc/91/22/31/371912231.db2.gz WNSFLYVCUYPJMP-HUUCEWRRSA-N 1 0 274.408 2.784 50 0 CFAARO CC(C)c1cc(C(=O)NC2CC[NH+](C)CC2)cs1 ZINC000012382875 371957246 /nfs/dbraw/zinc/95/72/46/371957246.db2.gz RFJHUVKHCVGZFJ-UHFFFAOYSA-N 1 0 266.410 2.696 50 0 CFAARO C/C(=C\c1ccco1)C[N@H+]1CCC(=O)N(CC2CC2)CC1 ZINC000012338104 371952773 /nfs/dbraw/zinc/95/27/73/371952773.db2.gz JPQFVLPHRVDKMP-SDNWHVSQSA-N 1 0 288.391 2.627 50 0 CFAARO CC(C)(C)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000012381283 371956991 /nfs/dbraw/zinc/95/69/91/371956991.db2.gz YANHAHBSOTZMKM-UHFFFAOYSA-N 1 0 252.402 2.509 50 0 CFAARO COc1cccc(C[NH2+]CCCOC(C)C)c1OC ZINC000013718027 372042882 /nfs/dbraw/zinc/04/28/82/372042882.db2.gz VCRIYLBSPVHJSH-UHFFFAOYSA-N 1 0 267.369 2.609 50 0 CFAARO CC[NH+]1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000016604166 372112736 /nfs/dbraw/zinc/11/27/36/372112736.db2.gz BNXPKUPHJZHOKW-UHFFFAOYSA-N 1 0 274.408 2.610 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000014183721 372062606 /nfs/dbraw/zinc/06/26/06/372062606.db2.gz MXFRMKYRXNPNTN-UHFFFAOYSA-N 1 0 298.342 2.664 50 0 CFAARO Brc1cccc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000014631193 372072679 /nfs/dbraw/zinc/07/26/79/372072679.db2.gz BDBVYJWDKIYXOT-SNVBAGLBSA-N 1 0 270.170 2.828 50 0 CFAARO c1cnn(CCC[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000014969049 372076801 /nfs/dbraw/zinc/07/68/01/372076801.db2.gz YMYPIBCTEQSJTP-GOSISDBHSA-N 1 0 299.418 2.607 50 0 CFAARO O=C1C[C@H]([NH2+]C2CCCC2)CN1CCCc1ccccc1 ZINC000015073501 372078417 /nfs/dbraw/zinc/07/84/17/372078417.db2.gz DFGLZOIVRKVZMP-KRWDZBQOSA-N 1 0 286.419 2.752 50 0 CFAARO COc1cc(C)c(C[NH2+]Cc2cccnc2)cc1C ZINC000016941744 372121525 /nfs/dbraw/zinc/12/15/25/372121525.db2.gz UPSPWOBADKXDKT-UHFFFAOYSA-N 1 0 256.349 2.997 50 0 CFAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)c1ccccc1 ZINC000016352034 372104986 /nfs/dbraw/zinc/10/49/86/372104986.db2.gz ORKGYARBWMBFNX-OAHLLOKOSA-N 1 0 285.343 2.581 50 0 CFAARO O=C(CC1CC[NH2+]CC1)N1CCCC[C@@H]1c1cccnc1 ZINC000019686310 372180411 /nfs/dbraw/zinc/18/04/11/372180411.db2.gz IOHLLLCHEMGXLT-MRXNPFEDSA-N 1 0 287.407 2.525 50 0 CFAARO Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000019210592 372151672 /nfs/dbraw/zinc/15/16/72/372151672.db2.gz BJXUGKXVPDLLME-DZGCQCFKSA-N 1 0 286.375 2.501 50 0 CFAARO [NH3+]C[C@H](c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000019261722 372152817 /nfs/dbraw/zinc/15/28/17/372152817.db2.gz PPLXHGHETKESBB-GFCCVEGCSA-N 1 0 258.287 2.801 50 0 CFAARO Fc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019334207 372155925 /nfs/dbraw/zinc/15/59/25/372155925.db2.gz WZOZFNNZFHHHJW-UHFFFAOYSA-N 1 0 262.372 2.886 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000019359620 372156225 /nfs/dbraw/zinc/15/62/25/372156225.db2.gz AVWBBXCTFJJTGD-CYBMUJFWSA-N 1 0 250.361 2.742 50 0 CFAARO c1cncc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000019339212 372156269 /nfs/dbraw/zinc/15/62/69/372156269.db2.gz XBKREKZBXQZROW-MRXNPFEDSA-N 1 0 271.408 2.556 50 0 CFAARO Fc1cccc(Cl)c1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000019362499 372157011 /nfs/dbraw/zinc/15/70/11/372157011.db2.gz FHOOZZXBUVNTSV-CQSZACIVSA-N 1 0 268.763 2.663 50 0 CFAARO CN(C)CC[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000019735740 372182047 /nfs/dbraw/zinc/18/20/47/372182047.db2.gz DEDZAVJWWNCUOV-UHFFFAOYSA-N 1 0 262.397 2.659 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000019499940 372170392 /nfs/dbraw/zinc/17/03/92/372170392.db2.gz PYBWXVCPXYOFRH-ZDUSSCGKSA-N 1 0 250.361 2.742 50 0 CFAARO CC[NH+]1CCN(Cc2ccc(SC)cc2)CC1 ZINC000019536715 372173362 /nfs/dbraw/zinc/17/33/62/372173362.db2.gz CBLMAONDJMMIRM-UHFFFAOYSA-N 1 0 250.411 2.546 50 0 CFAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccn1 ZINC000019957611 372213626 /nfs/dbraw/zinc/21/36/26/372213626.db2.gz COOCCLIAOZQIJD-ZDUSSCGKSA-N 1 0 256.349 2.898 50 0 CFAARO CCOc1ccccc1C[NH2+]C[C@H]1CCCN1CC ZINC000019959539 372216038 /nfs/dbraw/zinc/21/60/38/372216038.db2.gz GCAZXKHJDQJBCM-OAHLLOKOSA-N 1 0 262.397 2.659 50 0 CFAARO [NH3+]C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020286722 372237728 /nfs/dbraw/zinc/23/77/28/372237728.db2.gz KTVCRQQSDOZEPA-UHFFFAOYSA-N 1 0 279.693 2.681 50 0 CFAARO c1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc1 ZINC000019789967 372188403 /nfs/dbraw/zinc/18/84/03/372188403.db2.gz VBURMEALUZJABO-MRXNPFEDSA-N 1 0 271.408 2.556 50 0 CFAARO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000019853732 372199377 /nfs/dbraw/zinc/19/93/77/372199377.db2.gz VDYXTVZTXYQWHW-VXGBXAGGSA-N 1 0 296.798 2.778 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccsc1)c1ccsc1 ZINC000025330084 372297373 /nfs/dbraw/zinc/29/73/73/372297373.db2.gz MBISHSYMGSBKFT-ZDUSSCGKSA-N 1 0 294.445 2.771 50 0 CFAARO CCCCOc1ccc(CN(C)CC[NH+](C)C)cc1 ZINC000023281367 372256236 /nfs/dbraw/zinc/25/62/36/372256236.db2.gz ZCCQIQZMCUJWMU-UHFFFAOYSA-N 1 0 264.413 2.859 50 0 CFAARO COc1ccc(CC[C@H](C)[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000023282497 372258562 /nfs/dbraw/zinc/25/85/62/372258562.db2.gz OZBWKDNYLWENKI-GOEBONIOSA-N 1 0 277.408 2.721 50 0 CFAARO C[C@@H](NC(=O)C[NH2+]C(C)(C)C)c1ccc(F)cc1F ZINC000023697487 372265405 /nfs/dbraw/zinc/26/54/05/372265405.db2.gz XYTATABSKNQATN-SECBINFHSA-N 1 0 270.323 2.530 50 0 CFAARO NC(=O)[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1ccccc1 ZINC000026225970 372315879 /nfs/dbraw/zinc/31/58/79/372315879.db2.gz KCAZYEJEAJXWQX-INIZCTEOSA-N 1 0 280.371 2.534 50 0 CFAARO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(O)CC2)c1C ZINC000026858750 372329839 /nfs/dbraw/zinc/32/98/39/372329839.db2.gz XLDACCPHPVOQQT-UHFFFAOYSA-N 1 0 275.392 2.771 50 0 CFAARO CC(C)[NH+](CCNC(=O)c1ccc(N(C)C)cc1)C(C)C ZINC000027457180 372340979 /nfs/dbraw/zinc/34/09/79/372340979.db2.gz PCIXPYIHBVDMHS-UHFFFAOYSA-N 1 0 291.439 2.601 50 0 CFAARO COc1ccc(-c2n[nH]cc2C[NH2+]CC2CC2)cc1 ZINC000030662366 372395758 /nfs/dbraw/zinc/39/57/58/372395758.db2.gz FUIOCFDBMSUDFB-UHFFFAOYSA-N 1 0 257.337 2.585 50 0 CFAARO c1csc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000030664065 372396550 /nfs/dbraw/zinc/39/65/50/372396550.db2.gz NKXLVRZAJPZYSD-LBPRGKRZSA-N 1 0 277.393 2.797 50 0 CFAARO O=C(NCCc1[nH+]cc2ccccn21)NC1CCCCC1 ZINC000031773126 372416602 /nfs/dbraw/zinc/41/66/02/372416602.db2.gz SRXXMOIWMQCBSX-UHFFFAOYSA-N 1 0 286.379 2.509 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000032119659 372430482 /nfs/dbraw/zinc/43/04/82/372430482.db2.gz PLOMLGYSFVSGPV-NEPJUHHUSA-N 1 0 271.788 2.776 50 0 CFAARO CC[NH+](CC)CCCNC(=O)COc1ccccc1Cl ZINC000032502500 372441737 /nfs/dbraw/zinc/44/17/37/372441737.db2.gz KRSIJBHJEZAXDM-UHFFFAOYSA-N 1 0 298.814 2.567 50 0 CFAARO Cc1nccnc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032513716 372442028 /nfs/dbraw/zinc/44/20/28/372442028.db2.gz ZPYAUBXLCOFVBN-MRXNPFEDSA-N 1 0 282.391 2.719 50 0 CFAARO CN(C(=O)CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000033019537 372481686 /nfs/dbraw/zinc/48/16/86/372481686.db2.gz PNYVBDMGBFWBHH-UHFFFAOYSA-N 1 0 252.402 2.509 50 0 CFAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]CC1(CO)CCC1 ZINC000032603509 372449028 /nfs/dbraw/zinc/44/90/28/372449028.db2.gz KUSGAMCBYRDTSC-AWEZNQCLSA-N 1 0 271.445 2.706 50 0 CFAARO C[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000033640217 372497537 /nfs/dbraw/zinc/49/75/37/372497537.db2.gz IWKMPPNWOWOESR-CYBMUJFWSA-N 1 0 268.360 2.506 50 0 CFAARO C[C@@H](CNC(=S)NCc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000036847509 372601815 /nfs/dbraw/zinc/60/18/15/372601815.db2.gz TUUOODZZSKLVRS-OLZOCXBDSA-N 1 0 295.452 2.507 50 0 CFAARO CC(C)C[C@@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036876833 372606190 /nfs/dbraw/zinc/60/61/90/372606190.db2.gz OVKLKCRHCWWCLO-LLVKDONJSA-N 1 0 273.336 2.851 50 0 CFAARO C[NH2+]CCCc1nc(-c2ccccc2Br)c[nH]1 ZINC000037611619 372672195 /nfs/dbraw/zinc/67/21/95/372672195.db2.gz XOSKBZTYSZAWCK-UHFFFAOYSA-N 1 0 294.196 2.991 50 0 CFAARO CC(C)[NH2+]CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000037618940 372674609 /nfs/dbraw/zinc/67/46/09/372674609.db2.gz YMEDVQGQELHPTG-UHFFFAOYSA-N 1 0 295.858 2.850 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)C1CC[NH2+]CC1 ZINC000037808142 372718799 /nfs/dbraw/zinc/71/87/99/372718799.db2.gz MJZZVOILNILMQK-LLVKDONJSA-N 1 0 280.799 2.859 50 0 CFAARO COc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000037856566 372726868 /nfs/dbraw/zinc/72/68/68/372726868.db2.gz DVCBYUGSCXPBMH-INIZCTEOSA-N 1 0 275.323 2.658 50 0 CFAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 ZINC000237984249 189896144 /nfs/dbraw/zinc/89/61/44/189896144.db2.gz PWOJVMWJJGSWLP-ORAHPGNNSA-N 1 0 285.174 2.566 50 0 CFAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000041327761 372831326 /nfs/dbraw/zinc/83/13/26/372831326.db2.gz NDIALYLDEKRGTE-JTQLQIEISA-N 1 0 257.255 2.888 50 0 CFAARO COC(=O)CCC[N@H+](C)Cc1ccccc1Cl ZINC000042437552 372923850 /nfs/dbraw/zinc/92/38/50/372923850.db2.gz YESVJSNAYPLQDM-UHFFFAOYSA-N 1 0 255.745 2.725 50 0 CFAARO C[NH+](C)C1(CNC(=O)CCc2ccc(F)cc2)CCCC1 ZINC000042763578 372952113 /nfs/dbraw/zinc/95/21/13/372952113.db2.gz KQAVKFDPIOEROI-UHFFFAOYSA-N 1 0 292.398 2.749 50 0 CFAARO C[C@@H]1CCC[N@H+](CCCNC(=O)Nc2ccccc2)C1 ZINC000043131011 372977774 /nfs/dbraw/zinc/97/77/74/372977774.db2.gz LEVYGCOGUDBMAU-CQSZACIVSA-N 1 0 275.396 2.930 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccn1)c1cccs1 ZINC000043144415 372977834 /nfs/dbraw/zinc/97/78/34/372977834.db2.gz ZWOYVDSEBWPCLX-NSHDSACASA-N 1 0 290.392 2.568 50 0 CFAARO Cc1ccsc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000046877299 373064289 /nfs/dbraw/zinc/06/42/89/373064289.db2.gz BEXBACNEQJDWQP-NSHDSACASA-N 1 0 266.410 2.518 50 0 CFAARO CCC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000046230096 373047746 /nfs/dbraw/zinc/04/77/46/373047746.db2.gz WBIWJPYNFHXGTF-UHFFFAOYSA-N 1 0 273.302 2.632 50 0 CFAARO CC(=O)c1c(F)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000048346402 373167597 /nfs/dbraw/zinc/16/75/97/373167597.db2.gz MBVOBEZOWBWQGU-UHFFFAOYSA-N 1 0 276.355 2.560 50 0 CFAARO c1cc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2s1 ZINC000047975387 373134566 /nfs/dbraw/zinc/13/45/66/373134566.db2.gz YZXNKGLPNWHMAO-CMPLNLGQSA-N 1 0 274.393 2.730 50 0 CFAARO C[N@H+](CCCc1ccccc1)CC(=O)Nc1nccs1 ZINC000048364170 373170969 /nfs/dbraw/zinc/17/09/69/373170969.db2.gz RFSDIGQOCVYGAT-UHFFFAOYSA-N 1 0 289.404 2.646 50 0 CFAARO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2)CC1 ZINC000049075926 373264318 /nfs/dbraw/zinc/26/43/18/373264318.db2.gz BPYKCGTVOTULSK-UHFFFAOYSA-N 1 0 274.408 2.881 50 0 CFAARO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000049580934 373313716 /nfs/dbraw/zinc/31/37/16/373313716.db2.gz FFWAXGJVOWERJD-CQSZACIVSA-N 1 0 288.435 2.988 50 0 CFAARO CC[NH+]1CCC(NC(=O)Cn2cc(C)c3ccccc32)CC1 ZINC000051341918 373395381 /nfs/dbraw/zinc/39/53/81/373395381.db2.gz JGFWYCRYMKGRHB-UHFFFAOYSA-N 1 0 299.418 2.550 50 0 CFAARO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c1 ZINC000051592375 373399543 /nfs/dbraw/zinc/39/95/43/373399543.db2.gz DUSBYQASVJHULM-CQSZACIVSA-N 1 0 270.376 2.853 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000053202349 373469209 /nfs/dbraw/zinc/46/92/09/373469209.db2.gz YWSZSIJIELWPAY-GFCCVEGCSA-N 1 0 286.297 2.529 50 0 CFAARO COCC[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000053400603 373477218 /nfs/dbraw/zinc/47/72/18/373477218.db2.gz ODFODRKZUHGDKM-UHFFFAOYSA-N 1 0 273.380 2.567 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccn2)C1 ZINC000054226567 373507098 /nfs/dbraw/zinc/50/70/98/373507098.db2.gz SKEQQMGQGOCORZ-ZBFHGGJFSA-N 1 0 295.386 2.647 50 0 CFAARO CN(C)C(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000053945740 373490158 /nfs/dbraw/zinc/49/01/58/373490158.db2.gz DBGWGJYYLZZNRU-UHFFFAOYSA-N 1 0 290.386 2.646 50 0 CFAARO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2cccc(C)c2n1 ZINC000055098931 373538895 /nfs/dbraw/zinc/53/88/95/373538895.db2.gz KXMOLRLYEHUCLO-AWEZNQCLSA-N 1 0 297.402 2.628 50 0 CFAARO COCC[N@H+](C/C=C/c1ccccc1)C[C@H]1CCOC1 ZINC000055196856 373544748 /nfs/dbraw/zinc/54/47/48/373544748.db2.gz SBAOKCFKUQVXAX-ZGRWHYIRSA-N 1 0 275.392 2.685 50 0 CFAARO CCOc1cccc(C[N@@H+](CC=C(C)C)CCO)c1 ZINC000055344793 373550178 /nfs/dbraw/zinc/55/01/78/373550178.db2.gz AXHMJJGCLXNHRB-UHFFFAOYSA-N 1 0 263.381 2.846 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000058174939 373629355 /nfs/dbraw/zinc/62/93/55/373629355.db2.gz ZGFCNPQARNLFEX-GFCCVEGCSA-N 1 0 296.361 2.815 50 0 CFAARO CCO[C@H](C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058294510 373642267 /nfs/dbraw/zinc/64/22/67/373642267.db2.gz SHGOTLNICWTEKY-CQSZACIVSA-N 1 0 296.455 2.572 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]C[C@@H]2CNc3ccnn3C2)c(C)s1 ZINC000058327586 373646938 /nfs/dbraw/zinc/64/69/38/373646938.db2.gz HFMRDUNDVSBUKX-DGCLKSJQSA-N 1 0 290.436 2.954 50 0 CFAARO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058434638 373658969 /nfs/dbraw/zinc/65/89/69/373658969.db2.gz BODCOICDKBLBEK-INIZCTEOSA-N 1 0 284.359 2.560 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C)cc1 ZINC000057828843 373614055 /nfs/dbraw/zinc/61/40/55/373614055.db2.gz SROIJSDDJLMTGV-INIZCTEOSA-N 1 0 274.408 2.876 50 0 CFAARO Clc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000060363299 373692453 /nfs/dbraw/zinc/69/24/53/373692453.db2.gz AUSHIWRROXAKFK-CYBMUJFWSA-N 1 0 281.783 2.925 50 0 CFAARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c2ccccc2n1 ZINC000060470206 373696787 /nfs/dbraw/zinc/69/67/87/373696787.db2.gz CHUWZURSOHVIPN-CYBMUJFWSA-N 1 0 295.386 2.510 50 0 CFAARO FC(F)(F)c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000061626467 373722925 /nfs/dbraw/zinc/72/29/25/373722925.db2.gz YYQQTHOOFPNXES-LBPRGKRZSA-N 1 0 258.287 2.547 50 0 CFAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc2nonc2c1 ZINC000065509110 373882337 /nfs/dbraw/zinc/88/23/37/373882337.db2.gz LXORQAOOIVKMME-LLVKDONJSA-N 1 0 268.320 2.811 50 0 CFAARO C/C(=C\c1ccccc1)CN1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065530214 373885424 /nfs/dbraw/zinc/88/54/24/373885424.db2.gz GYIVENNAGFGWQT-RVSUXWIQSA-N 1 0 256.393 2.916 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@H](O)CSc1ccccn1 ZINC000065539746 373885650 /nfs/dbraw/zinc/88/56/50/373885650.db2.gz OBJIXYNZJQQSJH-HNNXBMFYSA-N 1 0 288.416 2.667 50 0 CFAARO O=C(c1ccc(C[NH2+][C@@H]2CCSC2)cc1)N1CCCC1 ZINC000065536150 373885770 /nfs/dbraw/zinc/88/57/70/373885770.db2.gz SZEHBZBMILUXLP-OAHLLOKOSA-N 1 0 290.432 2.518 50 0 CFAARO Cc1ncc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000065552725 373886544 /nfs/dbraw/zinc/88/65/44/373886544.db2.gz LVMDYHGHKSSNJK-CYBMUJFWSA-N 1 0 288.420 2.781 50 0 CFAARO C[N@H+](CCCNC(=O)c1ccco1)C1CCCCC1 ZINC000065562452 373886976 /nfs/dbraw/zinc/88/69/76/373886976.db2.gz NDEXSUODLXEUDT-UHFFFAOYSA-N 1 0 264.369 2.664 50 0 CFAARO CCC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000065566457 373889646 /nfs/dbraw/zinc/88/96/46/373889646.db2.gz OBJGQKDFHUGAFB-RYUDHWBXSA-N 1 0 294.361 2.956 50 0 CFAARO C[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000065605641 373893729 /nfs/dbraw/zinc/89/37/29/373893729.db2.gz MXABVVAQTKSVCL-MRXNPFEDSA-N 1 0 281.403 2.960 50 0 CFAARO CC(C)C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288709 373855058 /nfs/dbraw/zinc/85/50/58/373855058.db2.gz NWTKONIMWLLQRC-CQSZACIVSA-N 1 0 252.402 2.509 50 0 CFAARO Cc1ccc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)o1 ZINC000065288587 373855584 /nfs/dbraw/zinc/85/55/84/373855584.db2.gz YNAXOZKDAAACJO-KRWDZBQOSA-N 1 0 286.375 2.929 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1nc(C)c2c(n1)CCCC2 ZINC000065382731 373860728 /nfs/dbraw/zinc/86/07/28/373860728.db2.gz BOFUUDKLPGRZRY-GFCCVEGCSA-N 1 0 291.439 2.957 50 0 CFAARO CC[C@@H](C[NH2+]C1CCN(C)CC1)Cc1ccccc1 ZINC000065382887 373861493 /nfs/dbraw/zinc/86/14/93/373861493.db2.gz HRQZRRWCVAUMRK-OAHLLOKOSA-N 1 0 260.425 2.939 50 0 CFAARO CC(C)[C@H]1C=CCN1c1nc(CC[NH3+])nc2ccccc21 ZINC000065395097 373863590 /nfs/dbraw/zinc/86/35/90/373863590.db2.gz VHPJBEGRYQIVKE-OAHLLOKOSA-N 1 0 282.391 2.532 50 0 CFAARO OCC[N@H+](C[C@@H]1CCOC1)CC12CC3CC(CC(C3)C1)C2 ZINC000065394499 373864994 /nfs/dbraw/zinc/86/49/94/373864994.db2.gz WMRTZFPBDGWJTK-NUVRTYOOSA-N 1 0 293.451 2.534 50 0 CFAARO CC(C)(CO)[N@H+](Cc1ccccc1)Cc1ccccn1 ZINC000065405885 373865711 /nfs/dbraw/zinc/86/57/11/373865711.db2.gz UEZUKALZTADFSZ-UHFFFAOYSA-N 1 0 270.376 2.855 50 0 CFAARO c1cn(C[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000065408278 373868681 /nfs/dbraw/zinc/86/86/81/373868681.db2.gz ZPDXLVSVDBHUHT-QGZVFWFLSA-N 1 0 269.392 2.838 50 0 CFAARO CC[C@H]1c2ccsc2CCN1C(=O)NC[C@H](C)[NH+](C)C ZINC000065440463 373873050 /nfs/dbraw/zinc/87/30/50/373873050.db2.gz WIVBHDFVFRJNKY-AAEUAGOBSA-N 1 0 295.452 2.717 50 0 CFAARO CCCc1cc(C[N@H+](C)C2CCSCC2)[nH]n1 ZINC000065460500 373875172 /nfs/dbraw/zinc/87/51/72/373875172.db2.gz BOAUVDLVZBGWCN-UHFFFAOYSA-N 1 0 253.415 2.690 50 0 CFAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccn2)cc1 ZINC000065469268 373875471 /nfs/dbraw/zinc/87/54/71/373875471.db2.gz DEJKEIDIVKKSSE-AWEZNQCLSA-N 1 0 297.402 2.705 50 0 CFAARO Cc1[nH+]c(N2CCCC2)nc(NCCc2ccncc2)c1C ZINC000065461343 373875552 /nfs/dbraw/zinc/87/55/52/373875552.db2.gz BJDUITCARATSOQ-UHFFFAOYSA-N 1 0 297.406 2.743 50 0 CFAARO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1 ZINC000065464712 373876166 /nfs/dbraw/zinc/87/61/66/373876166.db2.gz XIAKNNSBIQCBPW-INIZCTEOSA-N 1 0 276.380 2.646 50 0 CFAARO Cc1nc(C[NH3+])cc(N2CCC[C@H]2CCc2ccccc2)n1 ZINC000067713534 373994513 /nfs/dbraw/zinc/99/45/13/373994513.db2.gz RDJLWJGNCGGCQI-KRWDZBQOSA-N 1 0 296.418 2.845 50 0 CFAARO C[C@H](CC1=CCC[N@H+](C)C1)NC(=O)c1ccnc(Cl)c1 ZINC000067714797 373996921 /nfs/dbraw/zinc/99/69/21/373996921.db2.gz CQIXLMKHATUZPS-LLVKDONJSA-N 1 0 293.798 2.505 50 0 CFAARO C[NH2+]CCOc1ccc(C)cc1-c1ccc2c(c1)OCO2 ZINC000067770024 373998389 /nfs/dbraw/zinc/99/83/89/373998389.db2.gz BAEIGDWAUGTPLZ-UHFFFAOYSA-N 1 0 285.343 2.989 50 0 CFAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1ccoc1 ZINC000067758885 373999766 /nfs/dbraw/zinc/99/97/66/373999766.db2.gz ZSVJTTFOJIEDEF-UHFFFAOYSA-N 1 0 264.369 2.618 50 0 CFAARO CCCCOC(=O)N1CCCC2(CC[NH2+]CC2)CC1 ZINC000067818085 374004835 /nfs/dbraw/zinc/00/48/35/374004835.db2.gz GIRPKMLGIGXKHY-UHFFFAOYSA-N 1 0 268.401 2.779 50 0 CFAARO Cc1ccsc1-c1nc(CN2CC[C@H](C[NH3+])C2)c(C)o1 ZINC000067854936 374008373 /nfs/dbraw/zinc/00/83/73/374008373.db2.gz RUDQUWCSITUHTD-GFCCVEGCSA-N 1 0 291.420 2.801 50 0 CFAARO COc1ccc2[nH]c(C[NH2+][C@@H](C)CC(C)(C)OC)nc2c1 ZINC000067847284 374009684 /nfs/dbraw/zinc/00/96/84/374009684.db2.gz FXVJRJICQYZVCG-NSHDSACASA-N 1 0 291.395 2.865 50 0 CFAARO Cc1ccc2cc(C[N@H+](C)Cc3ccccn3)c(=O)[nH]c2c1 ZINC000067954547 374017385 /nfs/dbraw/zinc/01/73/85/374017385.db2.gz HMRBKERAGAEQIV-UHFFFAOYSA-N 1 0 293.370 2.864 50 0 CFAARO C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)c2ccccc2)C1 ZINC000067435192 373979162 /nfs/dbraw/zinc/97/91/62/373979162.db2.gz FOKWVTLCHXKNQQ-HNNXBMFYSA-N 1 0 288.435 2.812 50 0 CFAARO COc1ccc2[nH]c(C[NH2+][C@H](C)Cn3ccnc3)cc2c1 ZINC000067541799 373983903 /nfs/dbraw/zinc/98/39/03/373983903.db2.gz YPUREYZAULHRBO-GFCCVEGCSA-N 1 0 284.363 2.551 50 0 CFAARO CCCC(=O)N1CCC([N@@H+]2CCCC[C@@H]2CCOC)CC1 ZINC000067587577 373986074 /nfs/dbraw/zinc/98/60/74/373986074.db2.gz UYJDXNVHRUVTPV-OAHLLOKOSA-N 1 0 296.455 2.669 50 0 CFAARO Cc1cc2nc(C[NH2+][C@H](C)Cn3ccnc3)[nH]c2cc1C ZINC000067642513 373987463 /nfs/dbraw/zinc/98/74/63/373987463.db2.gz UAXNOCXFXUMFBP-CYBMUJFWSA-N 1 0 283.379 2.555 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC000067675539 373988937 /nfs/dbraw/zinc/98/89/37/373988937.db2.gz GFTRIQPRFWWMPX-VFJIKVCNSA-N 1 0 293.436 2.551 50 0 CFAARO C[NH+](C)CCCn1ccnc1-c1ccnn1-c1ccccc1 ZINC000067654525 373988999 /nfs/dbraw/zinc/98/89/99/373988999.db2.gz MGADRNVNWJVANA-UHFFFAOYSA-N 1 0 295.390 2.688 50 0 CFAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC000067674457 373989040 /nfs/dbraw/zinc/98/90/40/373989040.db2.gz GVYMHGNMQFPTSQ-ZDUSSCGKSA-N 1 0 293.411 2.506 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000069600201 374078362 /nfs/dbraw/zinc/07/83/62/374078362.db2.gz JEDLBLQHYQCWCQ-HNNXBMFYSA-N 1 0 295.390 2.556 50 0 CFAARO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)CC(C)C ZINC000068334713 374027580 /nfs/dbraw/zinc/02/75/80/374027580.db2.gz YOSSTSFTHMUXQW-CQSZACIVSA-N 1 0 262.397 2.588 50 0 CFAARO COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c1 ZINC000069629898 374080497 /nfs/dbraw/zinc/08/04/97/374080497.db2.gz BTVPTPOERREMAG-OAHLLOKOSA-N 1 0 271.364 2.556 50 0 CFAARO CCC[NH+](CCC)CCCC(=O)Nc1ncccc1OC ZINC000068553734 374032638 /nfs/dbraw/zinc/03/26/38/374032638.db2.gz DDAICOBCVQDHNM-UHFFFAOYSA-N 1 0 293.411 2.931 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1F ZINC000069620810 374081277 /nfs/dbraw/zinc/08/12/77/374081277.db2.gz XLXLCEMQXVMLKW-KBPBESRZSA-N 1 0 294.345 2.664 50 0 CFAARO Cc1ccccc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052743 374045768 /nfs/dbraw/zinc/04/57/68/374045768.db2.gz KBHZMKAHAIRRIO-UHFFFAOYSA-N 1 0 266.344 2.893 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]CCCc1nc2ccccc2o1 ZINC000069367065 374056516 /nfs/dbraw/zinc/05/65/16/374056516.db2.gz BLDKZVCIJZGMPR-CYBMUJFWSA-N 1 0 284.363 2.635 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]CCCc1nc2ccccc2o1 ZINC000069367062 374056548 /nfs/dbraw/zinc/05/65/48/374056548.db2.gz BLDKZVCIJZGMPR-ZDUSSCGKSA-N 1 0 284.363 2.635 50 0 CFAARO Cc1ccc(F)cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000069415106 374060135 /nfs/dbraw/zinc/06/01/35/374060135.db2.gz BZTWYBCNZCEKPT-UHFFFAOYSA-N 1 0 279.359 2.692 50 0 CFAARO COCC[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000069417859 374062319 /nfs/dbraw/zinc/06/23/19/374062319.db2.gz XBHZASDRXGCQJV-UHFFFAOYSA-N 1 0 258.365 2.994 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)o1 ZINC000069455520 374065868 /nfs/dbraw/zinc/06/58/68/374065868.db2.gz RCZGJLQXXAMNCH-ZIAGYGMSSA-N 1 0 276.380 2.541 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000069454092 374066614 /nfs/dbraw/zinc/06/66/14/374066614.db2.gz ZUNKISPTOVBZNX-STQMWFEESA-N 1 0 289.427 2.951 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1cccs1 ZINC000069490775 374068488 /nfs/dbraw/zinc/06/84/88/374068488.db2.gz VKCZSOYHFAWKHT-CABCVRRESA-N 1 0 292.448 2.766 50 0 CFAARO CC(C)[N@H+](C)CCNC(=O)c1ccc(F)cc1Cl ZINC000069515780 374069527 /nfs/dbraw/zinc/06/95/27/374069527.db2.gz MBDKBSOEXYWRMK-UHFFFAOYSA-N 1 0 272.751 2.549 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@H](C)[C@H](C)n2cc(C)cn2)c1C ZINC000069511627 374070318 /nfs/dbraw/zinc/07/03/18/374070318.db2.gz JRGJRRPPLOPTEZ-OCCSQVGLSA-N 1 0 289.427 2.764 50 0 CFAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)cc1 ZINC000069529733 374072855 /nfs/dbraw/zinc/07/28/55/374072855.db2.gz WJWQKWFDNBFHGI-NSHDSACASA-N 1 0 278.783 2.554 50 0 CFAARO c1cc(CCN2CCC[C@H]2C[NH+]2CCCCC2)ccn1 ZINC000069561735 374074500 /nfs/dbraw/zinc/07/45/00/374074500.db2.gz QWUGMEUPMJEYSJ-KRWDZBQOSA-N 1 0 273.424 2.574 50 0 CFAARO Fc1ccccc1CN1CCC[N@H+](Cc2cccnc2)CC1 ZINC000069568175 374075369 /nfs/dbraw/zinc/07/53/69/374075369.db2.gz KGILEXLNZUYNTH-UHFFFAOYSA-N 1 0 299.393 2.929 50 0 CFAARO CCC[NH+](CCC)Cc1nc(-c2ccccn2)no1 ZINC000069921322 374109361 /nfs/dbraw/zinc/10/93/61/374109361.db2.gz HAYKUQRJPAJQLN-UHFFFAOYSA-N 1 0 260.341 2.754 50 0 CFAARO CCc1ncc2c(n1)C[N@@H+](CCc1cccs1)CC2 ZINC000070016137 374116275 /nfs/dbraw/zinc/11/62/75/374116275.db2.gz QPIHTCSLWZRHBP-UHFFFAOYSA-N 1 0 273.405 2.701 50 0 CFAARO CC(C)OCCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000070036946 374117603 /nfs/dbraw/zinc/11/76/03/374117603.db2.gz OERAJSZROAOGPK-MRXNPFEDSA-N 1 0 268.445 2.752 50 0 CFAARO CC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@@H+]1CCOC ZINC000069738357 374091841 /nfs/dbraw/zinc/09/18/41/374091841.db2.gz FZFZXVGZUCIDDD-RUJXFNLJSA-N 1 0 288.435 2.742 50 0 CFAARO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)c(O)co2)cc1 ZINC000069743838 374092962 /nfs/dbraw/zinc/09/29/62/374092962.db2.gz NQUWVBSUMAVAHO-HNNXBMFYSA-N 1 0 285.343 2.991 50 0 CFAARO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCOCO1 ZINC000069779535 374095976 /nfs/dbraw/zinc/09/59/76/374095976.db2.gz XXCLXKKQYXNWTI-GFCCVEGCSA-N 1 0 289.297 2.900 50 0 CFAARO OC[C@H]1CCC[N@@H+]1Cc1c(Cl)ccc2cccnc21 ZINC000069811580 374100394 /nfs/dbraw/zinc/10/03/94/374100394.db2.gz ZNWHWHAHZPGNJH-GFCCVEGCSA-N 1 0 276.767 2.845 50 0 CFAARO Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2)no1 ZINC000069873575 374105623 /nfs/dbraw/zinc/10/56/23/374105623.db2.gz UZZYRKCJQNHSIR-OAHLLOKOSA-N 1 0 299.374 2.801 50 0 CFAARO C[C@@H]1CCCN(C(=O)CCCc2ccccc2)[C@@H]1C[NH3+] ZINC000070177042 374141446 /nfs/dbraw/zinc/14/14/46/374141446.db2.gz BEMNBKXDZKBGIR-GDBMZVCRSA-N 1 0 274.408 2.595 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000070177095 374141948 /nfs/dbraw/zinc/14/19/48/374141948.db2.gz TZLZEYGUTCMCEZ-PWSUYJOCSA-N 1 0 266.410 2.510 50 0 CFAARO COc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1Cl ZINC000070251849 374152606 /nfs/dbraw/zinc/15/26/06/374152606.db2.gz RPXQXABAPXDHAN-NSHDSACASA-N 1 0 294.782 2.677 50 0 CFAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000070928283 374205214 /nfs/dbraw/zinc/20/52/14/374205214.db2.gz YLXUILJUVKZVLC-UHFFFAOYSA-N 1 0 287.407 2.604 50 0 CFAARO O=c1[nH]ccc2ccc(-c3cccc4c3CC[NH2+]C4)cc21 ZINC000071753943 374221564 /nfs/dbraw/zinc/22/15/64/374221564.db2.gz LPWHQSHHXVCVAM-UHFFFAOYSA-N 1 0 276.339 2.841 50 0 CFAARO c1cc2c(ncnc2N2CCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000071811111 374226081 /nfs/dbraw/zinc/22/60/81/374226081.db2.gz AFSFLMDONCVVOX-GFCCVEGCSA-N 1 0 288.420 2.756 50 0 CFAARO Cc1ccc(N[C@H]2CCC[N@H+](CCc3ccccc3)C2)nn1 ZINC000072429910 374252050 /nfs/dbraw/zinc/25/20/50/374252050.db2.gz QFOVRFJAXWGLED-KRWDZBQOSA-N 1 0 296.418 2.904 50 0 CFAARO c1nc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)cs1 ZINC000072428015 374252071 /nfs/dbraw/zinc/25/20/71/374252071.db2.gz TYEWBIPWZRORNZ-OAHLLOKOSA-N 1 0 279.453 2.984 50 0 CFAARO CS[C@@H](C)CC[NH+]1CCN(c2ncccc2C)CC1 ZINC000072140458 374233976 /nfs/dbraw/zinc/23/39/76/374233976.db2.gz FQMFHFAHKFUWDD-AWEZNQCLSA-N 1 0 279.453 2.654 50 0 CFAARO CCOCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1Cl ZINC000072267589 374238073 /nfs/dbraw/zinc/23/80/73/374238073.db2.gz DRVBXPKAVSHYNE-LLVKDONJSA-N 1 0 271.792 2.555 50 0 CFAARO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@@H](C)n1cccn1 ZINC000072269762 374238590 /nfs/dbraw/zinc/23/85/90/374238590.db2.gz ACCOJWLLJZYNBQ-HUUCEWRRSA-N 1 0 295.390 2.808 50 0 CFAARO C[NH+](C)C[C@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 ZINC000075105555 374458064 /nfs/dbraw/zinc/45/80/64/374458064.db2.gz QFUMQLVSPLYYEZ-OAHLLOKOSA-N 1 0 294.826 2.825 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000079333129 374603870 /nfs/dbraw/zinc/60/38/70/374603870.db2.gz FYHSZKRZANRLHI-UHFFFAOYSA-N 1 0 284.762 2.647 50 0 CFAARO CN(CC[N@H+](C)CCc1ccncc1)c1ccccc1 ZINC000083861130 374759601 /nfs/dbraw/zinc/75/96/01/374759601.db2.gz DUFCKFOKCZNHLW-UHFFFAOYSA-N 1 0 269.392 2.692 50 0 CFAARO CCC[C@@H]1C[N@H+](CCc2ccccc2)C[C@H]1N(C)C ZINC000082125459 374726922 /nfs/dbraw/zinc/72/69/22/374726922.db2.gz HSJHMBCIZZRGTK-IAGOWNOFSA-N 1 0 260.425 2.891 50 0 CFAARO CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)[NH+](C)C ZINC000084718755 374788363 /nfs/dbraw/zinc/78/83/63/374788363.db2.gz CDPCPWXZPSNJQY-LBPRGKRZSA-N 1 0 254.761 2.927 50 0 CFAARO CN(CCC[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000089340338 374896656 /nfs/dbraw/zinc/89/66/56/374896656.db2.gz KZFGSSHGGSFHEU-UHFFFAOYSA-N 1 0 250.361 2.743 50 0 CFAARO Cc1noc(CC[NH2+][C@@H](C)[C@@H](C)c2ccccc2)n1 ZINC000089518722 374917980 /nfs/dbraw/zinc/91/79/80/374917980.db2.gz JSHXISSPHAXJTF-NEPJUHHUSA-N 1 0 259.353 2.702 50 0 CFAARO Cc1noc(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)n1 ZINC000089518496 374918721 /nfs/dbraw/zinc/91/87/21/374918721.db2.gz GJBPIHZLUYYNAP-ZDUSSCGKSA-N 1 0 291.326 2.563 50 0 CFAARO Clc1ccc(SCC[NH+]2CCCCC2)nn1 ZINC000089794329 374952735 /nfs/dbraw/zinc/95/27/35/374952735.db2.gz RQTZERGMTDGMMD-UHFFFAOYSA-N 1 0 257.790 2.708 50 0 CFAARO OCC[NH2+][C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000089827863 374957724 /nfs/dbraw/zinc/95/77/24/374957724.db2.gz GTHKWVVCHKRPAG-WBVHZDCISA-N 1 0 269.344 2.833 50 0 CFAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccsc1 ZINC000089949094 374974583 /nfs/dbraw/zinc/97/45/83/374974583.db2.gz NKAPPNVSIPMVOZ-ZFWWWQNUSA-N 1 0 292.448 2.875 50 0 CFAARO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1oc(=O)oc1C ZINC000089943661 374975094 /nfs/dbraw/zinc/97/50/94/374975094.db2.gz YFMGIKOONDQLQV-CQSZACIVSA-N 1 0 275.348 2.994 50 0 CFAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1cscn1 ZINC000089949181 374977020 /nfs/dbraw/zinc/97/70/20/374977020.db2.gz XFCOWRICAXPIIR-TZMCWYRMSA-N 1 0 295.452 2.516 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CCn1cnnc1C1CC1)CC2 ZINC000090032486 374986883 /nfs/dbraw/zinc/98/68/83/374986883.db2.gz RXBGXYCGIVQORK-MRXNPFEDSA-N 1 0 282.391 2.741 50 0 CFAARO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc2c(c1)OCCO2 ZINC000090086358 374989866 /nfs/dbraw/zinc/98/98/66/374989866.db2.gz QVRUNTMXPHGVPX-QWHCGFSZSA-N 1 0 293.407 2.906 50 0 CFAARO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000090087670 374990143 /nfs/dbraw/zinc/99/01/43/374990143.db2.gz GWOLZRWJVPEXQP-VXGBXAGGSA-N 1 0 279.380 2.863 50 0 CFAARO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000089941274 374972464 /nfs/dbraw/zinc/97/24/64/374972464.db2.gz OPVYHCXHJDUILO-ZYHUDNBSSA-N 1 0 295.333 2.665 50 0 CFAARO Cc1nc(CN[C@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH]c1C ZINC000571582472 383707462 /nfs/dbraw/zinc/70/74/62/383707462.db2.gz RXBOEUSTQFMURB-RHSMWYFYSA-N 1 0 286.423 2.808 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1N(C)C ZINC000093941917 375332695 /nfs/dbraw/zinc/33/26/95/375332695.db2.gz OBSWWRDZDPWWRZ-IUODEOHRSA-N 1 0 274.364 2.730 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@H](OCCC(C)C)C2)nc1 ZINC000095462708 375456756 /nfs/dbraw/zinc/45/67/56/375456756.db2.gz OVKXZEFOKXEYDZ-INIZCTEOSA-N 1 0 278.396 2.727 50 0 CFAARO CCCC(CCC)[NH+]1CCC(n2cncn2)CC1 ZINC000095457072 375457255 /nfs/dbraw/zinc/45/72/55/375457255.db2.gz IHJKNFGMVGBERC-UHFFFAOYSA-N 1 0 250.390 2.884 50 0 CFAARO C[C@@H](C[NH2+]Cc1ccc(F)cc1)Oc1ccccn1 ZINC000095472033 375459329 /nfs/dbraw/zinc/45/93/29/375459329.db2.gz JOHQVHLJMWUVMK-LBPRGKRZSA-N 1 0 260.312 2.778 50 0 CFAARO C[C@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000095988359 375464745 /nfs/dbraw/zinc/46/47/45/375464745.db2.gz HJWKJFRDUPEVBO-VHSXEESVSA-N 1 0 274.286 2.615 50 0 CFAARO Fc1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccncc2)cc1F ZINC000095988561 375467176 /nfs/dbraw/zinc/46/71/76/375467176.db2.gz CQYONVVBGGXDLY-CVEARBPZSA-N 1 0 290.313 2.980 50 0 CFAARO Fc1ccc([C@H]2OCC[C@@H]2[NH2+]Cc2ccncc2)cc1F ZINC000095988562 375467376 /nfs/dbraw/zinc/46/73/76/375467376.db2.gz CQYONVVBGGXDLY-JKSUJKDBSA-N 1 0 290.313 2.980 50 0 CFAARO CC(C)c1cc(NCC2([NH+](C)C)CCCC2)ncn1 ZINC000095352633 375417240 /nfs/dbraw/zinc/41/72/40/375417240.db2.gz JIWMVOGGSJQWKK-UHFFFAOYSA-N 1 0 262.401 2.886 50 0 CFAARO CC[N@H+](C)[C@@H](C)CCNc1cc(C(C)C)ncn1 ZINC000095352410 375417802 /nfs/dbraw/zinc/41/78/02/375417802.db2.gz GJQKTBOTHBRZCG-LBPRGKRZSA-N 1 0 250.390 2.742 50 0 CFAARO COc1cccc(C[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000095350106 375418150 /nfs/dbraw/zinc/41/81/50/375418150.db2.gz DGPLECBJPLJBHL-UHFFFAOYSA-N 1 0 294.358 2.566 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCn1c(=O)ccc2ccccc21 ZINC000095378634 375425375 /nfs/dbraw/zinc/42/53/75/375425375.db2.gz JJJVAGXTCZXELK-OAHLLOKOSA-N 1 0 270.376 2.876 50 0 CFAARO OCCCCC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000095398403 375431349 /nfs/dbraw/zinc/43/13/49/375431349.db2.gz NYVXIFSNACKSHH-HNNXBMFYSA-N 1 0 265.422 2.939 50 0 CFAARO C[C@@H](Oc1ccc(-c2ccccc2C[NH+](C)C)cc1)C(N)=O ZINC000096138012 375470780 /nfs/dbraw/zinc/47/07/80/375470780.db2.gz UULZXCSGKPIDTQ-CYBMUJFWSA-N 1 0 298.386 2.668 50 0 CFAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1occc1C ZINC000095402521 375432279 /nfs/dbraw/zinc/43/22/79/375432279.db2.gz KARGBLSOTYVYDV-HIFRSBDPSA-N 1 0 290.407 2.715 50 0 CFAARO CCC(=O)N1CC[C@@H](Nc2cc[nH+]c3ccccc23)C1 ZINC000095416597 375437574 /nfs/dbraw/zinc/43/75/74/375437574.db2.gz IAJAMMGDRGYYKX-GFCCVEGCSA-N 1 0 269.348 2.658 50 0 CFAARO Cc1ccccc1[C@H](C)[NH2+]CCCO[C@@H]1CCOC1 ZINC000095419463 375439331 /nfs/dbraw/zinc/43/93/31/375439331.db2.gz LBLKVCXDLNNUMJ-LSDHHAIUSA-N 1 0 263.381 2.841 50 0 CFAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000095421208 375440686 /nfs/dbraw/zinc/44/06/86/375440686.db2.gz KKKMTANBOGKWRZ-GHMZBOCLSA-N 1 0 294.786 2.679 50 0 CFAARO CC(C)C[C@H]([NH2+]Cc1cnn(C)c1)c1ccccn1 ZINC000095420700 375441334 /nfs/dbraw/zinc/44/13/34/375441334.db2.gz TYVVUWGOQFNOHV-HNNXBMFYSA-N 1 0 258.369 2.692 50 0 CFAARO O=C(c1ccccc1)N1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000095423770 375442794 /nfs/dbraw/zinc/44/27/94/375442794.db2.gz IYRHWNJHABOECQ-INIZCTEOSA-N 1 0 284.403 2.679 50 0 CFAARO CNC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000095426348 375443579 /nfs/dbraw/zinc/44/35/79/375443579.db2.gz MUMVJEOVVMZBOW-DOTOQJQBSA-N 1 0 272.392 2.524 50 0 CFAARO CS[C@H]1CCCC[N@H+](CCc2ccncc2)C1 ZINC000095432365 375446964 /nfs/dbraw/zinc/44/69/64/375446964.db2.gz YWYVHWKCDXTVCY-AWEZNQCLSA-N 1 0 250.411 2.842 50 0 CFAARO COC[C@@H](O)C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000095431524 375447002 /nfs/dbraw/zinc/44/70/02/375447002.db2.gz ROESRNKXLRAXBL-ZWKOTPCHSA-N 1 0 285.387 2.681 50 0 CFAARO Cn1cc(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)cn1 ZINC000095435732 375447871 /nfs/dbraw/zinc/44/78/71/375447871.db2.gz MSEPEFDNJIFKIB-PBHICJAKSA-N 1 0 285.391 2.678 50 0 CFAARO Cn1cc(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1 ZINC000095435730 375448133 /nfs/dbraw/zinc/44/81/33/375448133.db2.gz MSEPEFDNJIFKIB-YOEHRIQHSA-N 1 0 285.391 2.678 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+]Cc1ccsc1 ZINC000095437466 375449370 /nfs/dbraw/zinc/44/93/70/375449370.db2.gz URBJSCRVKXELAJ-UHFFFAOYSA-N 1 0 263.410 2.896 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCSc1ccccc1S(C)(=O)=O ZINC000095442174 375450607 /nfs/dbraw/zinc/45/06/07/375450607.db2.gz RTKUQMIOMLWJIQ-GFCCVEGCSA-N 1 0 299.461 2.667 50 0 CFAARO OCC[C@H]([NH2+]Cc1cscn1)C1CCCCC1 ZINC000095448787 375453553 /nfs/dbraw/zinc/45/35/53/375453553.db2.gz UMWYFPMUMAHSPX-ZDUSSCGKSA-N 1 0 254.399 2.564 50 0 CFAARO CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1OC ZINC000095455551 375455453 /nfs/dbraw/zinc/45/54/53/375455453.db2.gz TVOJGFLZPQZDPO-JSGCOSHPSA-N 1 0 279.380 2.751 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000097159026 375531868 /nfs/dbraw/zinc/53/18/68/375531868.db2.gz DWMUPMGKQYNIHU-UHFFFAOYSA-N 1 0 298.434 2.781 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000097159203 375531973 /nfs/dbraw/zinc/53/19/73/375531973.db2.gz YNGJTNBDRCISGQ-UHFFFAOYSA-N 1 0 299.296 2.949 50 0 CFAARO CC(C)([NH3+])CN(CCc1cccc(F)c1)C1CC1 ZINC000097162688 375535316 /nfs/dbraw/zinc/53/53/16/375535316.db2.gz IWAVFQVPUKKSAW-UHFFFAOYSA-N 1 0 250.361 2.570 50 0 CFAARO COc1cc[nH+]c(NC2CCN(c3ccccn3)CC2)c1 ZINC000097038791 375498640 /nfs/dbraw/zinc/49/86/40/375498640.db2.gz LESIBUUREHXFCL-UHFFFAOYSA-N 1 0 284.363 2.566 50 0 CFAARO CC(C)Cn1cc(N[C@H](C)C2CC[NH+](C)CC2)cn1 ZINC000097038699 375498882 /nfs/dbraw/zinc/49/88/82/375498882.db2.gz HNLJKLVBZRGSNU-CYBMUJFWSA-N 1 0 264.417 2.681 50 0 CFAARO C[NH+](C)Cc1cccc(NC(=O)/C=C\c2ccncc2)c1 ZINC000097051306 375504080 /nfs/dbraw/zinc/50/40/80/375504080.db2.gz USQNYTDDZGMWPK-SREVYHEPSA-N 1 0 281.359 2.795 50 0 CFAARO C[N@H+](CCc1ccncc1)CCc1ccc2c(c1)CCO2 ZINC000097051090 375504450 /nfs/dbraw/zinc/50/44/50/375504450.db2.gz GSPSKQFFGDGYHQ-UHFFFAOYSA-N 1 0 282.387 2.734 50 0 CFAARO CC(C)[C@@H](CO)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000097094632 375514541 /nfs/dbraw/zinc/51/45/41/375514541.db2.gz DYRCAKBHMLFKHH-CQSZACIVSA-N 1 0 296.317 2.726 50 0 CFAARO COC[C@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000097099669 375516914 /nfs/dbraw/zinc/51/69/14/375516914.db2.gz JNRQQBRGVOMEQV-HNNXBMFYSA-N 1 0 275.392 2.926 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000097103599 375517917 /nfs/dbraw/zinc/51/79/17/375517917.db2.gz FCRCDAIKMQHXOG-LSDHHAIUSA-N 1 0 285.395 2.680 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000097101257 375517961 /nfs/dbraw/zinc/51/79/61/375517961.db2.gz KIYZBSIFXLCOIH-JKSUJKDBSA-N 1 0 279.424 2.860 50 0 CFAARO CCn1c(C[NH2+][C@H](C)[C@H]2CCCO2)nc2c1cccc2F ZINC000097111591 375522532 /nfs/dbraw/zinc/52/25/32/375522532.db2.gz XXLDGPYHDKWZDD-BXUZGUMPSA-N 1 0 291.370 2.852 50 0 CFAARO Cc1csc([C@H](C)[NH2+]CCN2CCCCC2)n1 ZINC000097112095 375523306 /nfs/dbraw/zinc/52/33/06/375523306.db2.gz CODHXCJBJNUYKR-LBPRGKRZSA-N 1 0 253.415 2.588 50 0 CFAARO Cc1ccc(C[N@@H+](Cc2cnn(C)c2)C2CC2)s1 ZINC000097272442 375546568 /nfs/dbraw/zinc/54/65/68/375546568.db2.gz LSBLBFODHCNKFZ-UHFFFAOYSA-N 1 0 261.394 2.955 50 0 CFAARO Cc1nccn1CC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000097360288 375551666 /nfs/dbraw/zinc/55/16/66/375551666.db2.gz NKIRCAVETPLLPG-UHFFFAOYSA-N 1 0 284.407 2.807 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H](C)C2)c(C)o1 ZINC000097373937 375553274 /nfs/dbraw/zinc/55/32/74/375553274.db2.gz TXMPFKPWUGOHCJ-DGCLKSJQSA-N 1 0 278.396 2.806 50 0 CFAARO [NH3+]CC[C@H]1CN(Cc2c(Cl)cccc2Cl)CCO1 ZINC000097515083 375568219 /nfs/dbraw/zinc/56/82/19/375568219.db2.gz WIUXZUXFHSXODX-JTQLQIEISA-N 1 0 289.206 2.543 50 0 CFAARO C[C@H](Cc1cnccn1)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000097522166 375568395 /nfs/dbraw/zinc/56/83/95/375568395.db2.gz DNYYHRAJWWCATQ-GFCCVEGCSA-N 1 0 297.362 2.523 50 0 CFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000097601143 375571762 /nfs/dbraw/zinc/57/17/62/375571762.db2.gz JJTREDKBGXULFO-UHFFFAOYSA-N 1 0 297.406 2.967 50 0 CFAARO Cc1noc(C)c1CN(C)Cc1[nH+]c(C)n2ccccc12 ZINC000097674346 375576996 /nfs/dbraw/zinc/57/69/96/375576996.db2.gz DTYFVMPOLKEONZ-UHFFFAOYSA-N 1 0 284.363 2.880 50 0 CFAARO Nc1[nH]n(-c2ccccc2)c(=O)c1C1=[NH+]CCCCC1 ZINC000100429712 375622146 /nfs/dbraw/zinc/62/21/46/375622146.db2.gz SNCNCHGIMYBXFO-UHFFFAOYSA-N 1 0 270.336 2.523 50 0 CFAARO c1c[n+](COC2CCCC2)cn1Cc1ccccc1 ZINC000261492835 190039494 /nfs/dbraw/zinc/03/94/94/190039494.db2.gz HYXAWTXZEBQBOP-UHFFFAOYSA-N 1 0 257.357 2.741 50 0 CFAARO Cc1ccccc1[C@H]1CN(Cc2ccno2)[C@@H](C)CO1 ZINC000257365163 190038078 /nfs/dbraw/zinc/03/80/78/190038078.db2.gz NRQBVKBSCOQSOE-XJKSGUPXSA-N 1 0 272.348 2.945 50 0 CFAARO C[C@H](c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000120079720 376543834 /nfs/dbraw/zinc/54/38/34/376543834.db2.gz JCLRAUPHBNMYIV-LLVKDONJSA-N 1 0 283.213 2.758 50 0 CFAARO CNC(=O)[C@H](CC(C)C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000678940066 542097117 /nfs/dbraw/zinc/09/71/17/542097117.db2.gz GNYUZBBQKBCLHG-BBRMVZONSA-N 1 0 292.423 2.549 50 0 CFAARO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000071834719 284627552 /nfs/dbraw/zinc/62/75/52/284627552.db2.gz IAAUYIHTWYUVRY-OAHLLOKOSA-N 1 0 297.402 2.868 50 0 CFAARO Cc1ccc(N(C)C(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000129401227 377422783 /nfs/dbraw/zinc/42/27/83/377422783.db2.gz FVINBAGBIVPLPR-HNNXBMFYSA-N 1 0 254.333 2.658 50 0 CFAARO CCC(CC)C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000129621444 377453279 /nfs/dbraw/zinc/45/32/79/377453279.db2.gz BFLVZEAHYQTVPI-GFCCVEGCSA-N 1 0 298.452 2.682 50 0 CFAARO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130246547 377527297 /nfs/dbraw/zinc/52/72/97/377527297.db2.gz RMRIAJLKJYUNKD-WDEREUQCSA-N 1 0 294.361 2.859 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)/C=C/c1ccc2ccccc2n1 ZINC000130973762 377640068 /nfs/dbraw/zinc/64/00/68/377640068.db2.gz OTPZNUKWLABINL-SIFUEBAJSA-N 1 0 295.386 2.588 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1nc2ccccc2o1 ZINC000131081562 377654104 /nfs/dbraw/zinc/65/41/04/377654104.db2.gz LQSWBGCZDHJDRU-SDDRHHMPSA-N 1 0 287.363 2.523 50 0 CFAARO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1ccccc1 ZINC000131585388 377733309 /nfs/dbraw/zinc/73/33/09/377733309.db2.gz RQYXHKNRDWQPMJ-CQSZACIVSA-N 1 0 293.370 2.575 50 0 CFAARO Cc1ccc2nc(C3CC3)cc(C(=O)N3CC[C@H]([NH3+])C3)c2c1 ZINC000132619753 377859822 /nfs/dbraw/zinc/85/98/22/377859822.db2.gz IIZJGDQUAMJCGG-ZDUSSCGKSA-N 1 0 295.386 2.594 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000133497926 377934336 /nfs/dbraw/zinc/93/43/36/377934336.db2.gz LFYWWBKHYBEJRQ-XEHSLEBBSA-N 1 0 278.783 2.564 50 0 CFAARO Cc1cccc(NCCc2cn3c(n2)CCCC3)[nH+]1 ZINC000134888080 378058895 /nfs/dbraw/zinc/05/88/95/378058895.db2.gz SXKQNOXADNTYEA-UHFFFAOYSA-N 1 0 256.353 2.577 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000158914168 378674857 /nfs/dbraw/zinc/67/48/57/378674857.db2.gz YNVORQFCQSCTQT-CVEARBPZSA-N 1 0 288.435 2.947 50 0 CFAARO O=C(c1ccco1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000021170690 284719038 /nfs/dbraw/zinc/71/90/38/284719038.db2.gz YXYPUVCDCZWEBL-AWEZNQCLSA-N 1 0 276.380 2.760 50 0 CFAARO C[C@H]([NH3+])[C@@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000166131972 379048941 /nfs/dbraw/zinc/04/89/41/379048941.db2.gz ATNVSPSPUIUUPC-SWLSCSKDSA-N 1 0 255.317 2.932 50 0 CFAARO CC[C@H]([NH2+]C[C@H](C)[S@](C)=O)c1ccccc1F ZINC000166179271 379053029 /nfs/dbraw/zinc/05/30/29/379053029.db2.gz RUVLDPYXCXHSNK-SIMVJXQJSA-N 1 0 257.374 2.633 50 0 CFAARO C(O[C@@H]1CN(C2CC[NH2+]CC2)C12CCCCC2)C1CC1 ZINC000169676566 379108182 /nfs/dbraw/zinc/10/81/82/379108182.db2.gz UFYTXEBQDUHVOY-MRXNPFEDSA-N 1 0 278.440 2.552 50 0 CFAARO [NH3+][C@H](CCC(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000169978909 379113612 /nfs/dbraw/zinc/11/36/12/379113612.db2.gz UYYNEIXJEYWEQO-OAHLLOKOSA-N 1 0 296.370 2.892 50 0 CFAARO c1cc(CN2CCC[NH2+]CC2)cc(-c2ccncc2)c1 ZINC000170082852 379115739 /nfs/dbraw/zinc/11/57/39/379115739.db2.gz MPYJKRXYWYRFPI-UHFFFAOYSA-N 1 0 267.376 2.544 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cc(F)c(F)cc1F ZINC000170082874 379115818 /nfs/dbraw/zinc/11/58/18/379115818.db2.gz DXGBJIOFZCMYDV-YMTOWFKASA-N 1 0 272.314 2.806 50 0 CFAARO Cc1nnc([C@H]2CCC[N@H+](CC3=CCCCC3)C2)[nH]1 ZINC000334676114 379751241 /nfs/dbraw/zinc/75/12/41/379751241.db2.gz MMYSWWHKCOLTDD-AWEZNQCLSA-N 1 0 260.385 2.793 50 0 CFAARO O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1C[NH+]2CCC1CC2 ZINC000000006363 169504973 /nfs/dbraw/zinc/50/49/73/169504973.db2.gz CPZBLNMUGSZIPR-RDJZCZTQSA-N 1 0 296.414 2.657 50 0 in-vitro CFAARO Cc1[nH+]c2ccccc2c(N2CC[C@@H](CC(N)=O)C2)c1C ZINC000367927238 380857558 /nfs/dbraw/zinc/85/75/58/380857558.db2.gz NSYOYBVJFSTQKB-ZDUSSCGKSA-N 1 0 283.375 2.553 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000409420958 380958730 /nfs/dbraw/zinc/95/87/30/380958730.db2.gz MHWMKWLMLFZUPL-CYBMUJFWSA-N 1 0 287.407 2.718 50 0 CFAARO Cc1cnc(-c2ccncc2)n1CC1C[NH+](C2CCC2)C1 ZINC000409421018 380958874 /nfs/dbraw/zinc/95/88/74/380958874.db2.gz XOTXTGRINJLGIO-UHFFFAOYSA-N 1 0 282.391 2.738 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000409420982 380959761 /nfs/dbraw/zinc/95/97/61/380959761.db2.gz RMOPUMPFOXJYLI-CYBMUJFWSA-N 1 0 289.404 2.724 50 0 CFAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)C2CCC2)CC1 ZINC000409420963 380959860 /nfs/dbraw/zinc/95/98/60/380959860.db2.gz NJFDVIRFAOVRMA-UHFFFAOYSA-N 1 0 275.396 2.539 50 0 CFAARO FC(F)(F)C1CC([NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000342288424 381250347 /nfs/dbraw/zinc/25/03/47/381250347.db2.gz BRNQVUMWXSEAMV-UHFFFAOYSA-N 1 0 287.281 2.888 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCC[C@H]1O)CCC2 ZINC000186790209 382014750 /nfs/dbraw/zinc/01/47/50/382014750.db2.gz AOHLEATVMUNFOS-NQBHXWOUSA-N 1 0 280.437 2.976 50 0 CFAARO Cc1ccc(C)c([C@@H](C)N(C)C(=O)C2CC[NH2+]CC2)c1 ZINC000299753537 382042227 /nfs/dbraw/zinc/04/22/27/382042227.db2.gz YMPRWQLRZLDUNV-CQSZACIVSA-N 1 0 274.408 2.822 50 0 CFAARO C[C@H]1C(c2ccccc2)[N+](=O)C2(CCCCC2)N1O ZINC000000443244 169641816 /nfs/dbraw/zinc/64/18/16/169641816.db2.gz KBZFTZJYMLOYLC-LBPRGKRZSA-N 1 0 260.337 2.740 50 0 CFAARO Cc1ccc2nc(C[C@H](O)C[NH2+]C(C)(C)C)ccc2c1 ZINC000071771761 184575202 /nfs/dbraw/zinc/57/52/02/184575202.db2.gz MLCDDFWWNVOFDQ-HNNXBMFYSA-N 1 0 272.392 2.835 50 0 CFAARO FC(F)(F)CN1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000189469866 382613472 /nfs/dbraw/zinc/61/34/72/382613472.db2.gz NZKMOIHHIFAMEG-UHFFFAOYSA-N 1 0 293.358 2.507 50 0 CFAARO Cn1cncc1C[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189514771 382618560 /nfs/dbraw/zinc/61/85/60/382618560.db2.gz YEIQPEAVFCCDHG-CVEARBPZSA-N 1 0 269.392 2.921 50 0 CFAARO CC[C@@H](C)CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000189966759 382647662 /nfs/dbraw/zinc/64/76/62/382647662.db2.gz USTRWZRJTUKRKV-CQSZACIVSA-N 1 0 289.423 2.850 50 0 CFAARO CCS[C@H]1CCCC[C@H]1[NH2+]CCn1ccnc1 ZINC000190034850 382651195 /nfs/dbraw/zinc/65/11/95/382651195.db2.gz WUQVNBKGUMLCDU-OLZOCXBDSA-N 1 0 253.415 2.537 50 0 CFAARO CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000193916467 382729586 /nfs/dbraw/zinc/72/95/86/382729586.db2.gz GREDNBBARQQPKF-CABCVRRESA-N 1 0 275.396 2.775 50 0 CFAARO CC(C)NC(=O)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000195539397 382769394 /nfs/dbraw/zinc/76/93/94/382769394.db2.gz ITBAJOXNODVGLO-SNVBAGLBSA-N 1 0 286.778 2.872 50 0 CFAARO CCn1cnnc1CN[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000195553482 382769606 /nfs/dbraw/zinc/76/96/06/382769606.db2.gz LCRYYLWUFUOCDB-BLLLJJGKSA-N 1 0 270.380 2.630 50 0 CFAARO CC[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000214978908 382777603 /nfs/dbraw/zinc/77/76/03/382777603.db2.gz NTPBGOPMSDUEJZ-MRXNPFEDSA-N 1 0 283.375 2.764 50 0 CFAARO CCc1cc(CN(C)Cc2cnn(C(C)C)c2)on1 ZINC000215423016 382778420 /nfs/dbraw/zinc/77/84/20/382778420.db2.gz FJLSGBPQLNEOEY-UHFFFAOYSA-N 1 0 262.357 2.646 50 0 CFAARO CC[N@H+](Cc1cscn1)[C@H]1CCOC(C)(C)C1 ZINC000215474313 382778937 /nfs/dbraw/zinc/77/89/37/382778937.db2.gz YHDYUMAKGZQFFI-LBPRGKRZSA-N 1 0 254.399 2.923 50 0 CFAARO OCC[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000215472332 382779205 /nfs/dbraw/zinc/77/92/05/382779205.db2.gz HXHZGTPTGKIIMJ-OAHLLOKOSA-N 1 0 258.365 2.905 50 0 CFAARO FC1(F)CCN(Cc2cnc(N3CCCC3)s2)CC1 ZINC000215981275 382781331 /nfs/dbraw/zinc/78/13/31/382781331.db2.gz ZAWHXHCZTOKTHT-UHFFFAOYSA-N 1 0 287.379 2.974 50 0 CFAARO Cc1nnc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)[nH]1 ZINC000215914587 382781402 /nfs/dbraw/zinc/78/14/02/382781402.db2.gz DJRLUDOTZUPGPS-INIZCTEOSA-N 1 0 284.407 2.925 50 0 CFAARO Cc1ccc2nc(C)c(C(=O)NCCc3c[nH]cn3)cc2c1 ZINC000216177448 382782201 /nfs/dbraw/zinc/78/22/01/382782201.db2.gz VYTYZZHMSNGWQL-UHFFFAOYSA-N 1 0 294.358 2.547 50 0 CFAARO Cc1ccc(-c2ccc(CN3CC[C@@H]([NH3+])C3)cc2)o1 ZINC000216122669 382782270 /nfs/dbraw/zinc/78/22/70/382782270.db2.gz HUDSTUFWKDTTAP-OAHLLOKOSA-N 1 0 256.349 2.788 50 0 CFAARO CCOc1ccc(C[N@H+](C)CCc2ccncc2)cn1 ZINC000216290921 382783001 /nfs/dbraw/zinc/78/30/01/382783001.db2.gz MHCJKBYBNBUPOM-UHFFFAOYSA-N 1 0 271.364 2.550 50 0 CFAARO CC(C)Cc1ccc(C[N@H+](C)C[C@H]2CC(=O)N(C)C2)cc1 ZINC000216292702 382783188 /nfs/dbraw/zinc/78/31/88/382783188.db2.gz MIJCFSUOKIXILJ-QGZVFWFLSA-N 1 0 288.435 2.795 50 0 CFAARO C/C(=C\c1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000222122955 382800703 /nfs/dbraw/zinc/80/07/03/382800703.db2.gz POEZURQRBVGRCB-HBIYDYFMSA-N 1 0 276.355 2.569 50 0 CFAARO CSc1ncc(CN2CCc3sccc3C2)cn1 ZINC000223221781 382804085 /nfs/dbraw/zinc/80/40/85/382804085.db2.gz NCQLWDJZVGGYIR-UHFFFAOYSA-N 1 0 277.418 2.818 50 0 CFAARO Cc1c(F)cccc1-c1ccc(C[NH2+]CC[S@](C)=O)o1 ZINC000225395161 382815018 /nfs/dbraw/zinc/81/50/18/382815018.db2.gz AUDJRKHNIMEGNV-FQEVSTJZSA-N 1 0 295.379 2.862 50 0 CFAARO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCO ZINC000225478962 382816601 /nfs/dbraw/zinc/81/66/01/382816601.db2.gz UYDQDWPTBIRSSI-JTQLQIEISA-N 1 0 277.393 2.547 50 0 CFAARO Cc1cc(N)nc(NCCc2ccc(Cl)cc2)[nH+]1 ZINC000225559964 382818203 /nfs/dbraw/zinc/81/82/03/382818203.db2.gz IKWRXGBERQOZOK-UHFFFAOYSA-N 1 0 262.744 2.675 50 0 CFAARO CNC(=O)[C@H]1CCC[N@H+](CCCC2CCCCC2)C1 ZINC000225638808 382819435 /nfs/dbraw/zinc/81/94/35/382819435.db2.gz SALUMISWDIVABF-HNNXBMFYSA-N 1 0 266.429 2.805 50 0 CFAARO CN(C)c1nc(C[NH2+][C@H]2CCCC23CCOCC3)cs1 ZINC000225733365 382821052 /nfs/dbraw/zinc/82/10/52/382821052.db2.gz TWZVWPNFPSBKED-ZDUSSCGKSA-N 1 0 295.452 2.648 50 0 CFAARO CO[C@H](C[N@@H+]1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000225785869 382821412 /nfs/dbraw/zinc/82/14/12/382821412.db2.gz ZHZBSMOHGWAUKG-ZWKOTPCHSA-N 1 0 298.386 2.922 50 0 CFAARO CC(C)(C)SCC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000225785922 382821577 /nfs/dbraw/zinc/82/15/77/382821577.db2.gz BVDZSKWNBJNVJB-UHFFFAOYSA-N 1 0 287.469 2.993 50 0 CFAARO COCc1cccc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c1 ZINC000225843771 382822761 /nfs/dbraw/zinc/82/27/61/382822761.db2.gz ZGRSCPDOJLDMJB-WMLDXEAASA-N 1 0 277.408 2.816 50 0 CFAARO c1cnn(C[C@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000229503806 382851561 /nfs/dbraw/zinc/85/15/61/382851561.db2.gz GIAPJSAHAOPKTH-SJLPKXTDSA-N 1 0 297.402 2.662 50 0 CFAARO C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCc2ccccc2)C1 ZINC000230104268 382855741 /nfs/dbraw/zinc/85/57/41/382855741.db2.gz ZJWWAGNNJPQPEN-ZWKOTPCHSA-N 1 0 294.398 2.648 50 0 CFAARO Cc1ccnc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000230147729 382856364 /nfs/dbraw/zinc/85/63/64/382856364.db2.gz JQWKXKGWVNWQGV-JKSUJKDBSA-N 1 0 295.386 2.674 50 0 CFAARO O[C@H](CN1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)cc1F ZINC000230250228 382857790 /nfs/dbraw/zinc/85/77/90/382857790.db2.gz ODVHXKYCEOLWNT-BZUAXINKSA-N 1 0 297.345 2.642 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000233838976 382872364 /nfs/dbraw/zinc/87/23/64/382872364.db2.gz BAALBEJWDMWAIK-ZIAGYGMSSA-N 1 0 278.421 2.889 50 0 CFAARO CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000236715645 382910635 /nfs/dbraw/zinc/91/06/35/382910635.db2.gz YKPCPXSUFKWLLW-HNNXBMFYSA-N 1 0 278.371 2.548 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC(=O)NCC1CC1 ZINC000421841531 382942128 /nfs/dbraw/zinc/94/21/28/382942128.db2.gz KTVNDDLNYVFXJE-JTQLQIEISA-N 1 0 298.789 2.526 50 0 CFAARO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237064483 382948578 /nfs/dbraw/zinc/94/85/78/382948578.db2.gz BBFPAEVECOBUAK-CQSZACIVSA-N 1 0 295.386 2.628 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000237580075 382964660 /nfs/dbraw/zinc/96/46/60/382964660.db2.gz LQPZLHPDCCCFFA-RKVPGOIHSA-N 1 0 286.419 2.699 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)CCc2ccc(C)cc2C)C1 ZINC000237290436 382956717 /nfs/dbraw/zinc/95/67/17/382956717.db2.gz WVMJCURNRHDEFV-MRXNPFEDSA-N 1 0 288.435 2.694 50 0 CFAARO CCCCc1ccc(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000236895668 382928164 /nfs/dbraw/zinc/92/81/64/382928164.db2.gz KDLALBXHWDPMFD-WMLDXEAASA-N 1 0 288.435 2.910 50 0 CFAARO CCCc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000236912905 382930006 /nfs/dbraw/zinc/93/00/06/382930006.db2.gz PVTUXYMOFXMUMZ-DOMZBBRYSA-N 1 0 260.381 2.591 50 0 CFAARO CCCCn1ccnc1-c1cccc(NC(=O)[C@H](C)[NH3+])c1 ZINC000236948880 382935576 /nfs/dbraw/zinc/93/55/76/382935576.db2.gz FWKNXWKRTGNVTL-LBPRGKRZSA-N 1 0 286.379 2.636 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc2cccc(Cl)c2o1 ZINC000238049305 382977812 /nfs/dbraw/zinc/97/78/12/382977812.db2.gz VTLZKLCTJHVICH-SNVBAGLBSA-N 1 0 278.739 2.650 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](C)Cc2ccccc2)C1 ZINC000239351918 382981126 /nfs/dbraw/zinc/98/11/26/382981126.db2.gz AANISFHAJRWIDP-MAUKXSAKSA-N 1 0 288.435 2.665 50 0 CFAARO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(N(C)C)c1 ZINC000241447007 382983828 /nfs/dbraw/zinc/98/38/28/382983828.db2.gz NQKPCWRUWSSSQI-CQSZACIVSA-N 1 0 291.439 2.603 50 0 CFAARO Clc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cncn1 ZINC000242191409 382985499 /nfs/dbraw/zinc/98/54/99/382985499.db2.gz XFHWMJWTOTYZRI-AWEZNQCLSA-N 1 0 276.771 2.769 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000243919563 382988407 /nfs/dbraw/zinc/98/84/07/382988407.db2.gz BOXGAQLUBKNGDK-ZDUSSCGKSA-N 1 0 290.386 2.618 50 0 CFAARO Cc1cc(C)n([C@H]2CC[N@@H+](CCc3csc(C)n3)C2)n1 ZINC000244723693 382990941 /nfs/dbraw/zinc/99/09/41/382990941.db2.gz MFPSIWHJOPQPDI-HNNXBMFYSA-N 1 0 290.436 2.754 50 0 CFAARO Cc1c2ccccc2oc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000244734527 382991201 /nfs/dbraw/zinc/99/12/01/382991201.db2.gz NHERSKSMWCSSPL-CQSZACIVSA-N 1 0 274.364 2.731 50 0 CFAARO Cc1cnccc1CN(C)CC[N@H+]1CCCC[C@H]1C ZINC000244723936 382991561 /nfs/dbraw/zinc/99/15/61/382991561.db2.gz MKPSSQAEVZBFGP-OAHLLOKOSA-N 1 0 261.413 2.696 50 0 CFAARO Cc1nonc1C[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000244796150 382993163 /nfs/dbraw/zinc/99/31/63/382993163.db2.gz RTZXIVBIBVGSHQ-OAHLLOKOSA-N 1 0 286.379 2.760 50 0 CFAARO [NH3+][C@H]1CC[C@@H](Nc2nccc(CCC(F)(F)F)n2)CC1 ZINC000244883995 382993927 /nfs/dbraw/zinc/99/39/27/382993927.db2.gz YDGFPJBJSQADCM-AOOOYVTPSA-N 1 0 288.317 2.653 50 0 CFAARO O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000237791481 382970960 /nfs/dbraw/zinc/97/09/60/382970960.db2.gz APNQIONQZPVORK-NWDGAFQWSA-N 1 0 299.201 2.529 50 0 CFAARO Cc1cc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)ccc1O ZINC000245901246 383045313 /nfs/dbraw/zinc/04/53/13/383045313.db2.gz UDHINFXEVWTDMG-UPJWGTAASA-N 1 0 276.380 2.900 50 0 CFAARO NC(=O)c1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000247754989 383194783 /nfs/dbraw/zinc/19/47/83/383194783.db2.gz VUFDWMHLJOXADP-ZBFHGGJFSA-N 1 0 272.392 2.798 50 0 CFAARO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)C1CCC1 ZINC000449078909 383165702 /nfs/dbraw/zinc/16/57/02/383165702.db2.gz WTNOUPNKWPDDML-HNNXBMFYSA-N 1 0 270.380 2.936 50 0 CFAARO C[C@]1(O)C[N@H+](Cc2ccccc2)[C@H](c2ccccc2)C[C@H]1O ZINC000252014563 383403582 /nfs/dbraw/zinc/40/35/82/383403582.db2.gz VAKBKORICCUVPK-OTWHNJEPSA-N 1 0 297.398 2.746 50 0 CFAARO C[C@@H]1CCC[C@H](CC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000252506862 383416056 /nfs/dbraw/zinc/41/60/56/383416056.db2.gz XDRCHXIBLMXJAU-QLFBSQMISA-N 1 0 266.429 2.661 50 0 CFAARO CCn1cnnc1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000426551791 383405592 /nfs/dbraw/zinc/40/55/92/383405592.db2.gz KVDMVHJXDBFUST-OAHLLOKOSA-N 1 0 284.407 2.924 50 0 CFAARO Clc1cncc(Cl)c1CN1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426640322 383407539 /nfs/dbraw/zinc/40/75/39/383407539.db2.gz ARXMKVKCPBQOOG-OGXIQJDLSA-N 1 0 298.217 2.571 50 0 CFAARO O[C@H](C[C@H]1CCCCC[N@@H+]1C[C@H]1CCOC1)c1ccco1 ZINC000252477052 383409929 /nfs/dbraw/zinc/40/99/29/383409929.db2.gz HHSFVANVNJSTHU-BZUAXINKSA-N 1 0 293.407 2.984 50 0 CFAARO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCSC(C)(C)C)[C@H]2C1 ZINC000252489477 383412535 /nfs/dbraw/zinc/41/25/35/383412535.db2.gz JRTAWNCELQBPRA-RDBSUJKOSA-N 1 0 287.469 2.786 50 0 CFAARO CC(C)c1nsc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250477580 383376288 /nfs/dbraw/zinc/37/62/88/383376288.db2.gz ZNHSISAHWMEXAN-QWRGUYRKSA-N 1 0 266.414 2.700 50 0 CFAARO Cc1cccc(Cn2c[n+](Cc3ccccc3)cn2)c1 ZINC000252503884 383414949 /nfs/dbraw/zinc/41/49/49/383414949.db2.gz VGZNZGSUMMJIJA-UHFFFAOYSA-N 1 0 264.352 2.576 50 0 CFAARO Cc1cccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000252505350 383415051 /nfs/dbraw/zinc/41/50/51/383415051.db2.gz LJCQJMNXAZJMSS-UAGQMJEPSA-N 1 0 299.418 2.943 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000255381226 383481153 /nfs/dbraw/zinc/48/11/53/383481153.db2.gz GWCNKJFGYANTAA-GAGJOLBNSA-N 1 0 299.201 2.814 50 0 CFAARO Cc1cccc(NC[C@@H]2CCN(c3ncc(C)c(C)n3)C2)[nH+]1 ZINC000253417139 383457841 /nfs/dbraw/zinc/45/78/41/383457841.db2.gz ZRYQWJTXISHIDB-HNNXBMFYSA-N 1 0 297.406 2.735 50 0 CFAARO C[C@]([NH3+])(C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000253425564 383459087 /nfs/dbraw/zinc/45/90/87/383459087.db2.gz QXUIZLZCKJTVEV-CRAIPNDOSA-N 1 0 286.419 2.766 50 0 CFAARO CC(C)(C)OC(=O)C1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000253428992 383459555 /nfs/dbraw/zinc/45/95/55/383459555.db2.gz GFBIJFFJLIPYJW-CQSZACIVSA-N 1 0 297.439 2.998 50 0 CFAARO Cc1c[nH]c(C[N@H+](C)CCC[C@H]2CCCO2)c(C)c1=O ZINC000253536766 383461968 /nfs/dbraw/zinc/46/19/68/383461968.db2.gz NTBFNUYIYOFFFK-AWEZNQCLSA-N 1 0 278.396 2.795 50 0 CFAARO C/C(=C/C(=O)N(C)[C@H]1CC[NH2+]C1)c1ccccc1Cl ZINC000255288873 383478581 /nfs/dbraw/zinc/47/85/81/383478581.db2.gz JNSCTGORJAVNQI-MMRAYRKESA-N 1 0 278.783 2.564 50 0 CFAARO Cc1ccncc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000252538765 383418218 /nfs/dbraw/zinc/41/82/18/383418218.db2.gz NHGYLRGAWZKQTC-UHFFFAOYSA-N 1 0 270.380 2.503 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)NC(C)C)C1 ZINC000257178472 383489787 /nfs/dbraw/zinc/48/97/87/383489787.db2.gz GJXKLSKLYINKFT-CQSZACIVSA-N 1 0 290.411 2.824 50 0 CFAARO CCCNC(=O)N1CCC[C@H](n2c(C)c[nH+]c2C2CC2)C1 ZINC000257183077 383490981 /nfs/dbraw/zinc/49/09/81/383490981.db2.gz QUEACNATMBNFII-AWEZNQCLSA-N 1 0 290.411 2.825 50 0 CFAARO CCc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000257180440 383491008 /nfs/dbraw/zinc/49/10/08/383491008.db2.gz KUPUTKLWFYZULP-QGZVFWFLSA-N 1 0 286.419 2.711 50 0 CFAARO Cc1nc2c(s1)[C@H](N(C)C[C@]1(C)CC[NH2+]C1)CCC2 ZINC000261984107 383590297 /nfs/dbraw/zinc/59/02/97/383590297.db2.gz JMPLMMVYBMQNGC-UKRRQHHQSA-N 1 0 279.453 2.760 50 0 CFAARO Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000112340498 412990579 /nfs/dbraw/zinc/99/05/79/412990579.db2.gz XIKARMBRPOHWEB-GHMZBOCLSA-N 1 0 261.291 2.631 50 0 CFAARO O=[N+]1C(c2ccc3c(c2)OCO3)=CN(O)[C@H]2CCCC[C@H]21 ZINC000334158884 285191151 /nfs/dbraw/zinc/19/11/51/285191151.db2.gz JRPNCWOLLUULFP-NWDGAFQWSA-N 1 0 289.311 2.509 50 0 CFAARO Cc1cc(NCc2ccc(N3CCO[C@H](C)C3)nc2)cc[nH+]1 ZINC000274336836 385770669 /nfs/dbraw/zinc/77/06/69/385770669.db2.gz HDSYYSHNEJAIRO-CQSZACIVSA-N 1 0 298.390 2.622 50 0 CFAARO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1C)C(C)C ZINC000096476356 285232928 /nfs/dbraw/zinc/23/29/28/285232928.db2.gz UUDXBNGRBDESBP-CQSZACIVSA-N 1 0 278.396 2.503 50 0 CFAARO C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H]1C ZINC000380665782 256848218 /nfs/dbraw/zinc/84/82/18/256848218.db2.gz JCWUWWSTHPFDCC-VNHYZAJKSA-N 1 0 260.381 2.724 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc(Cl)cc1 ZINC000237387845 256851552 /nfs/dbraw/zinc/85/15/52/256851552.db2.gz ODYLDPRNXRPNSY-BXUZGUMPSA-N 1 0 280.799 2.611 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1cccc(Cl)c1 ZINC000237388116 256851803 /nfs/dbraw/zinc/85/18/03/256851803.db2.gz IXHZXLJJEKJGTI-BXUZGUMPSA-N 1 0 280.799 2.611 50 0 CFAARO CCc1cnc(NCC2([NH+](C)C)CCCCC2)nc1 ZINC000095376750 184958186 /nfs/dbraw/zinc/95/81/86/184958186.db2.gz FVZJGTBXTXASIY-UHFFFAOYSA-N 1 0 262.401 2.715 50 0 CFAARO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C[C@H](O)c1cccs1 ZINC000095448919 184989328 /nfs/dbraw/zinc/98/93/28/184989328.db2.gz FITZRJRLSHTALU-HZMBPMFUSA-N 1 0 293.436 2.700 50 0 CFAARO CC(C)c1cccc(NC(=O)N2CC([NH+](C)C)C2)c1 ZINC000095467034 184995057 /nfs/dbraw/zinc/99/50/57/184995057.db2.gz DPBXVFRDERAFKS-UHFFFAOYSA-N 1 0 261.369 2.588 50 0 CFAARO COc1cc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)ccn1 ZINC000192438792 130446694 /nfs/dbraw/zinc/44/66/94/130446694.db2.gz NVSAPUMBGQMMLG-HNNXBMFYSA-N 1 0 298.386 2.746 50 0 CFAARO COCCC[N@H+](Cc1[nH]cnc1C)Cc1ccc(F)cc1 ZINC000243885585 131083039 /nfs/dbraw/zinc/08/30/39/131083039.db2.gz AAPFWKQAPWDZTJ-UHFFFAOYSA-N 1 0 291.370 2.896 50 0 CFAARO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048685569 285506647 /nfs/dbraw/zinc/50/66/47/285506647.db2.gz YZUDXXKOERLWOS-KRWDZBQOSA-N 1 0 294.402 2.854 50 0 CFAARO C[N@H+](CCOc1ccccc1)C1CCC(CO)CC1 ZINC000268373518 132000654 /nfs/dbraw/zinc/00/06/54/132000654.db2.gz ICLVPLNDLXTCLN-UHFFFAOYSA-N 1 0 263.381 2.548 50 0 CFAARO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732285 285510530 /nfs/dbraw/zinc/51/05/30/285510530.db2.gz QFAFXPKXIWHURV-DOTOQJQBSA-N 1 0 294.402 2.723 50 0 CFAARO COc1cc2c(cc1C[N@H+](C)C[C@@H]1CCOC1)CCC2 ZINC000824616752 781996200 /nfs/dbraw/zinc/99/62/00/781996200.db2.gz YXIILFMGOQXAJF-ZDUSSCGKSA-N 1 0 275.392 2.652 50 0 CFAARO c1ccc2nc(N3CCC([NH+]4CCCC4)CC3)cnc2c1 ZINC000054060415 285529263 /nfs/dbraw/zinc/52/92/63/285529263.db2.gz FWOLZLNTHIULGK-UHFFFAOYSA-N 1 0 282.391 2.694 50 0 CFAARO Brc1ccc2nc3c(n2c1)CCCC3 ZINC000000115904 393445942 /nfs/dbraw/zinc/44/59/42/393445942.db2.gz XLNQAGVAQAWLHM-UHFFFAOYSA-N 1 0 251.127 2.976 50 0 CFAARO C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000000009342 393446173 /nfs/dbraw/zinc/44/61/73/393446173.db2.gz KYYIDSXMWOZKMP-OAHLLOKOSA-N 1 0 263.381 2.733 50 0 fda CFAARO CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1 ZINC000000152107 393447480 /nfs/dbraw/zinc/44/74/80/393447480.db2.gz XPYYSODZGKVELO-UHFFFAOYSA-N 1 0 285.185 2.729 50 0 CFAARO Cc1cc2[nH]c(C(=O)N(C)C3CC[NH+](C)CC3)cc2c(C)c1 ZINC000000153730 393447857 /nfs/dbraw/zinc/44/78/57/393447857.db2.gz SBBBLMHEVHNDDL-UHFFFAOYSA-N 1 0 299.418 2.951 50 0 CFAARO Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000002513097 393453925 /nfs/dbraw/zinc/45/39/25/393453925.db2.gz RLAPHVKVTWWOCS-KBPBESRZSA-N 1 0 276.380 2.657 50 0 CFAARO C[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000019636601 393483337 /nfs/dbraw/zinc/48/33/37/393483337.db2.gz FWYRCAYEZAECOT-HZPDHXFCSA-N 1 0 288.435 2.760 50 0 CFAARO COc1ccccc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007811621 393468664 /nfs/dbraw/zinc/46/86/64/393468664.db2.gz ZGDBLSGTBLBMDU-STQMWFEESA-N 1 0 276.380 2.612 50 0 CFAARO CC[NH2+]C[C@@H]1CCN(CC)[C@H]1c1ccccc1OC ZINC000012412064 393472808 /nfs/dbraw/zinc/47/28/08/393472808.db2.gz VWHUFFHFYOSQOR-XJKSGUPXSA-N 1 0 262.397 2.688 50 0 CFAARO c1cn(CCC[NH2+][C@H]2CSCCc3ccccc32)cn1 ZINC000095419100 285535579 /nfs/dbraw/zinc/53/55/79/285535579.db2.gz JATLXCWZDFXGEO-INIZCTEOSA-N 1 0 287.432 2.893 50 0 CFAARO CC(C)(C[NH2+][C@H]1CCSc2ccc(Cl)cc21)C(N)=O ZINC000183639367 393520957 /nfs/dbraw/zinc/52/09/57/393520957.db2.gz UBCMKQOZYVHLBB-NSHDSACASA-N 1 0 298.839 2.978 50 0 CFAARO CC[C@H](CNC(=O)c1cn(C)c2ccccc12)[NH+]1CCCC1 ZINC000042498601 393553021 /nfs/dbraw/zinc/55/30/21/393553021.db2.gz AGLCVOCJZGARQW-CQSZACIVSA-N 1 0 299.418 2.783 50 0 CFAARO CO[C@@]1(C)CCC[N@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000684208507 542777083 /nfs/dbraw/zinc/77/70/83/542777083.db2.gz ZNGMQHVIWNZKCZ-INIZCTEOSA-N 1 0 273.380 2.644 50 0 CFAARO FC(F)Oc1ccccc1CC[NH2+][C@H]1CCCOC1 ZINC000188725854 393567888 /nfs/dbraw/zinc/56/78/88/393567888.db2.gz SGJCBPLOOAAQCO-LBPRGKRZSA-N 1 0 271.307 2.599 50 0 CFAARO COC(=O)c1ccccc1-[n+]1c(C)cc(C)cc1C ZINC000000384117 292022703 /nfs/dbraw/zinc/02/27/03/292022703.db2.gz QKCYKGARVKRZQX-UHFFFAOYSA-N 1 0 256.325 2.675 50 0 CFAARO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ncc1Br ZINC000382445622 393572179 /nfs/dbraw/zinc/57/21/79/393572179.db2.gz JEUJJAIPUVSBPX-NXEZZACHSA-N 1 0 284.201 2.834 50 0 CFAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2nc(C)ccc2O)c1 ZINC000055042183 393619150 /nfs/dbraw/zinc/61/91/50/393619150.db2.gz IASDVYRIMHTAFQ-CQSZACIVSA-N 1 0 285.391 2.862 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2c(C)noc2C)c1 ZINC000069493104 393636662 /nfs/dbraw/zinc/63/66/62/393636662.db2.gz YFXMUPUDFJRLFP-CMPLNLGQSA-N 1 0 262.357 2.536 50 0 CFAARO O=C(NCCC(F)(F)F)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000096452107 393833893 /nfs/dbraw/zinc/83/38/93/393833893.db2.gz UMSOZSNNQIXWDX-NSHDSACASA-N 1 0 292.345 2.710 50 0 CFAARO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)nc1 ZINC000095981737 393813859 /nfs/dbraw/zinc/81/38/59/393813859.db2.gz OUZCXDXBGQQGQH-GDBMZVCRSA-N 1 0 270.380 2.670 50 0 CFAARO CC[C@H](C)N(C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245550429 393814359 /nfs/dbraw/zinc/81/43/59/393814359.db2.gz HRFBMPZCSBIENV-JJXSEGSLSA-N 1 0 280.456 2.654 50 0 CFAARO O[C@H](C[N@H+](CCc1ccncc1)C1CC1)c1ccccc1 ZINC000096410360 393823839 /nfs/dbraw/zinc/82/38/39/393823839.db2.gz LCDHUNOHBULWFZ-GOSISDBHSA-N 1 0 282.387 2.822 50 0 CFAARO Cc1ccc(CC[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000096412965 393825252 /nfs/dbraw/zinc/82/52/52/393825252.db2.gz PTPRGERCKKQKJZ-QGZVFWFLSA-N 1 0 286.419 2.624 50 0 CFAARO C[C@H]1CN(C[C@H]2CCC[NH2+]C2)c2cc(Cl)ccc2O1 ZINC000261815072 393950778 /nfs/dbraw/zinc/95/07/78/393950778.db2.gz HXYXMWMLMBYKAG-RYUDHWBXSA-N 1 0 280.799 2.927 50 0 CFAARO CCOC(=O)[C@@H]1[C@H](C[N@H+](CCOC)[C@H](C)C2CC2)C1(C)C ZINC000252511606 393936912 /nfs/dbraw/zinc/93/69/12/393936912.db2.gz IOTAGSUDDFIWCC-SNPRPXQTSA-N 1 0 297.439 2.569 50 0 CFAARO Cc1nccn1CCC[N@@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000252509084 393937146 /nfs/dbraw/zinc/93/71/46/393937146.db2.gz YCDOGTWBNYMSTF-OAHLLOKOSA-N 1 0 286.423 2.848 50 0 CFAARO CC(C)(C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)C(N)=O ZINC000123684382 393985567 /nfs/dbraw/zinc/98/55/67/393985567.db2.gz GUZJPRLXYBUSRJ-ZIAGYGMSSA-N 1 0 274.408 2.670 50 0 CFAARO CCOc1ccccc1N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000127544103 394052514 /nfs/dbraw/zinc/05/25/14/394052514.db2.gz HJNVJOZDQQXWAB-ZDUSSCGKSA-N 1 0 299.374 2.507 50 0 CFAARO Cc1cccc(N2CC[NH+](CC[C@@H]3CCOC3)CC2)c1 ZINC000437580753 394060359 /nfs/dbraw/zinc/06/03/59/394060359.db2.gz NXIUFMUDSBAZLQ-MRXNPFEDSA-N 1 0 274.408 2.544 50 0 CFAARO CSc1ccc(-c2cccc(N3CC[NH2+]CC3)n2)cc1 ZINC000032577683 134766861 /nfs/dbraw/zinc/76/68/61/134766861.db2.gz CIGIGWUOZQLAST-UHFFFAOYSA-N 1 0 285.416 2.880 50 0 CFAARO [NH3+][C@H]1CCCN(c2ccc(-c3ccccc3Cl)nn2)C1 ZINC000070458951 134949724 /nfs/dbraw/zinc/94/97/24/134949724.db2.gz HDWMSUPKAQVECL-NSHDSACASA-N 1 0 288.782 2.725 50 0 CFAARO Cc1ccc(/C=C\C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000493556526 292040897 /nfs/dbraw/zinc/04/08/97/292040897.db2.gz OSBRMCURUYIRPX-HPQNNBMJSA-N 1 0 292.810 3.000 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063193133 292083226 /nfs/dbraw/zinc/08/32/26/292083226.db2.gz BYNDENPCSVMQNA-HIFRSBDPSA-N 1 0 260.381 2.645 50 0 CFAARO Cc1cc(N(C)CC(=O)N2CCCC2)c2ccccc2[nH+]1 ZINC000041873175 397555898 /nfs/dbraw/zinc/55/58/98/397555898.db2.gz BAUCTHXTDJCENY-UHFFFAOYSA-N 1 0 283.375 2.602 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)C1CCC1)Cc1ccccc1 ZINC000047508406 397586219 /nfs/dbraw/zinc/58/62/19/397586219.db2.gz RWRJGEXJRIVAIF-KRWDZBQOSA-N 1 0 288.435 2.856 50 0 CFAARO Cc1cccc(CSCCCNC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000426372154 397573383 /nfs/dbraw/zinc/57/33/83/397573383.db2.gz CINROXZWXCRVPD-CQSZACIVSA-N 1 0 294.464 2.685 50 0 CFAARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)s1 ZINC000046996402 397583781 /nfs/dbraw/zinc/58/37/81/397583781.db2.gz VFIWHWWVHRJLBL-ZIAGYGMSSA-N 1 0 278.421 2.722 50 0 CFAARO CCCc1nc(C)c(C(=O)NCC[NH+]2CCCCC2)s1 ZINC000047143303 397584355 /nfs/dbraw/zinc/58/43/55/397584355.db2.gz RYBOWDLQCPUTQX-UHFFFAOYSA-N 1 0 295.452 2.620 50 0 CFAARO COc1ccc([C@@H]2[C@@H](CNc3ncccn3)CC[N@@H+]2C)cc1 ZINC000108081298 397597832 /nfs/dbraw/zinc/59/78/32/397597832.db2.gz PJPATEZLAMSCFC-GDBMZVCRSA-N 1 0 298.390 2.590 50 0 CFAARO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@](C)(CO)C2)cc1 ZINC000108490090 397598476 /nfs/dbraw/zinc/59/84/76/397598476.db2.gz UOCHPJGVVNYLQU-YOEHRIQHSA-N 1 0 277.408 2.893 50 0 CFAARO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000108480409 397598485 /nfs/dbraw/zinc/59/84/85/397598485.db2.gz MCKRJUYAQPOCRF-TZMCWYRMSA-N 1 0 263.385 2.655 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000195575904 397611932 /nfs/dbraw/zinc/61/19/32/397611932.db2.gz IEDCSKIRYDVMMG-USXIJHARSA-N 1 0 278.440 2.779 50 0 CFAARO CC[N@H+](C)Cc1ccccc1OCCCn1ccnc1 ZINC000220262636 397621541 /nfs/dbraw/zinc/62/15/41/397621541.db2.gz QLDRQVANBQACFU-UHFFFAOYSA-N 1 0 273.380 2.804 50 0 CFAARO CCOCC[N@@H+]1CCN([C@@H](C)c2cccnc2)C[C@@H]1CC ZINC000069819900 286090184 /nfs/dbraw/zinc/09/01/84/286090184.db2.gz MSLCFPUXBGDRFS-RDJZCZTQSA-N 1 0 291.439 2.575 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(C)=O)CC2)C1(CC)CC ZINC000096454019 286488697 /nfs/dbraw/zinc/48/86/97/286488697.db2.gz QAAGIYFINBAVPQ-CVEARBPZSA-N 1 0 296.455 2.571 50 0 CFAARO Cc1cc(Cl)ccc1OCCCC[N@H+](C)CCO ZINC000002932091 169844711 /nfs/dbraw/zinc/84/47/11/169844711.db2.gz MMXNPTVSHIGLEJ-UHFFFAOYSA-N 1 0 271.788 2.732 50 0 CFAARO CCOc1ccc(CNCCC[NH+](CC)CC)cc1OC ZINC000002933152 169845083 /nfs/dbraw/zinc/84/50/83/169845083.db2.gz TVLCXGLGGHMUMZ-UHFFFAOYSA-N 1 0 294.439 2.915 50 0 CFAARO C[NH+](C)CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003667896 169907009 /nfs/dbraw/zinc/90/70/09/169907009.db2.gz XSAWXYZQSDJXTG-UHFFFAOYSA-N 1 0 299.418 2.728 50 0 CFAARO CCc1ccc(C[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000004342784 169960216 /nfs/dbraw/zinc/96/02/16/169960216.db2.gz CZHRRKKPZIBEFS-GRDNDAEWSA-N 1 0 261.409 2.883 50 0 CFAARO CCC(CC)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000004700130 170001557 /nfs/dbraw/zinc/00/15/57/170001557.db2.gz XZWUNDVEERAKAB-UHFFFAOYSA-N 1 0 253.342 2.688 50 0 biogenic,in-vitro CFAARO O=C([C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCCC1 ZINC000004745041 170010129 /nfs/dbraw/zinc/01/01/29/170010129.db2.gz DUCAGEQAEQJQCQ-OAHLLOKOSA-N 1 0 290.382 2.660 50 0 CFAARO O=C([C@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCCC1 ZINC000004745016 170010340 /nfs/dbraw/zinc/01/03/40/170010340.db2.gz DYBZXWAOEUFSKX-HNNXBMFYSA-N 1 0 290.382 2.660 50 0 CFAARO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2OC)cc1OC ZINC000004838073 170027056 /nfs/dbraw/zinc/02/70/56/170027056.db2.gz AGSMUKLNMPEAMR-GJZGRUSLSA-N 1 0 293.407 2.794 50 0 CFAARO C[C@H]1CCC[N@H+](CCOCCOc2ccc(C=O)cc2)C1 ZINC000004842024 170028102 /nfs/dbraw/zinc/02/81/02/170028102.db2.gz OVNWFHJOVIZZJG-HNNXBMFYSA-N 1 0 291.391 2.626 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@H](O)c2c[nH]c3ccccc23)C1 ZINC000004862808 170031973 /nfs/dbraw/zinc/03/19/73/170031973.db2.gz XTZAJWIPFFKQJR-WBMJQRKESA-N 1 0 258.365 2.933 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC000004866616 170033181 /nfs/dbraw/zinc/03/31/81/170033181.db2.gz GHGMBMMNNBAQKX-CYBMUJFWSA-N 1 0 266.772 2.554 50 0 CFAARO COc1ccc(C(=O)CC[NH+]2CCCCC2)cc1OC ZINC000004917931 170041385 /nfs/dbraw/zinc/04/13/85/170041385.db2.gz NVWLYLRFHQLHSN-UHFFFAOYSA-N 1 0 277.364 2.763 50 0 CFAARO C[NH+](C)CCNc1ncnc2c3cc(Cl)ccc3[nH]c21 ZINC000005041012 170059551 /nfs/dbraw/zinc/05/95/51/170059551.db2.gz ILFOTNWKKUDDIJ-UHFFFAOYSA-N 1 0 289.770 2.738 50 0 CFAARO C[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000005910040 170153834 /nfs/dbraw/zinc/15/38/34/170153834.db2.gz XKAQCIXWFQVBMR-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO C[C@H](O)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000005911940 170154597 /nfs/dbraw/zinc/15/45/97/170154597.db2.gz HNHDZVLNVJHJON-AWEZNQCLSA-N 1 0 271.360 2.736 50 0 CFAARO Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000006213006 170183134 /nfs/dbraw/zinc/18/31/34/170183134.db2.gz NBYFHVJOHIUSPW-HNNXBMFYSA-N 1 0 254.333 2.504 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000006455110 170202556 /nfs/dbraw/zinc/20/25/56/170202556.db2.gz MMGBWQXPHCBIBW-PBHICJAKSA-N 1 0 289.419 2.647 50 0 CFAARO CCOc1cc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)ccc1OC ZINC000006701150 170229390 /nfs/dbraw/zinc/22/93/90/170229390.db2.gz JKFJZEMXJWAHRS-QXSWTLKVSA-N 1 0 289.375 2.521 50 0 CFAARO C[C@H]1CCC[N@H+](CCCOc2cccc(C=O)c2)C1 ZINC000006701183 170229392 /nfs/dbraw/zinc/22/93/92/170229392.db2.gz KUVCDVPQSDZEOX-AWEZNQCLSA-N 1 0 261.365 3.000 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc(F)cc1F ZINC000006726112 170232867 /nfs/dbraw/zinc/23/28/67/170232867.db2.gz DEJJPGQKIFVTEL-UHFFFAOYSA-N 1 0 283.322 2.572 50 0 CFAARO COc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000006726386 170233366 /nfs/dbraw/zinc/23/33/66/170233366.db2.gz ADAWRNZEBSUVIX-UHFFFAOYSA-N 1 0 291.395 2.690 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)c1csc2c1CCCC2 ZINC000006805796 170245328 /nfs/dbraw/zinc/24/53/28/170245328.db2.gz YHZIGWJLQMOWJH-UHFFFAOYSA-N 1 0 292.448 2.843 50 0 CFAARO O=C(C[NH+]1CCCCCC1)NCc1ccc(Cl)cc1 ZINC000006883183 170252676 /nfs/dbraw/zinc/25/26/76/170252676.db2.gz MAXSXTLWCNNSAH-UHFFFAOYSA-N 1 0 280.799 2.832 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)C1CCCC1 ZINC000006992469 170261090 /nfs/dbraw/zinc/26/10/90/170261090.db2.gz NHOFJMSRNCQSER-UHFFFAOYSA-N 1 0 260.381 2.555 50 0 CFAARO CCCCC[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000007261301 170274097 /nfs/dbraw/zinc/27/40/97/170274097.db2.gz LBJRJDMCZPCJKB-UHFFFAOYSA-N 1 0 267.369 2.992 50 0 CFAARO COc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000007446695 170285489 /nfs/dbraw/zinc/28/54/89/170285489.db2.gz DAAPEPXQOIZMIL-ZDUSSCGKSA-N 1 0 276.380 2.754 50 0 CFAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]C(C)(C)CO)o2)cc1 ZINC000007540829 170290315 /nfs/dbraw/zinc/29/03/15/170290315.db2.gz UVYYBINTHMTNJX-GFCCVEGCSA-N 1 0 289.375 2.860 50 0 CFAARO C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000007779718 170302118 /nfs/dbraw/zinc/30/21/18/170302118.db2.gz NSDVQEBVCVGQNL-UHFFFAOYSA-N 1 0 290.363 2.618 50 0 CFAARO Cc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000008939783 170359432 /nfs/dbraw/zinc/35/94/32/170359432.db2.gz KYTPXZAANQQGDH-UHFFFAOYSA-N 1 0 275.396 2.989 50 0 CFAARO COc1ccc(Cl)cc1CSC1=[NH+]CCCN1 ZINC000009256337 170369043 /nfs/dbraw/zinc/36/90/43/170369043.db2.gz GZJWCIGYJIUOJY-UHFFFAOYSA-N 1 0 270.785 2.931 50 0 CFAARO Cc1ccccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000009917188 170391039 /nfs/dbraw/zinc/39/10/39/170391039.db2.gz YHDZVDBSZYUGSC-UHFFFAOYSA-N 1 0 282.387 2.987 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000012382495 170482632 /nfs/dbraw/zinc/48/26/32/170482632.db2.gz VZUAKDXHNVDRLB-UHFFFAOYSA-N 1 0 266.429 2.946 50 0 CFAARO Cc1ccc(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000019888942 170909927 /nfs/dbraw/zinc/90/99/27/170909927.db2.gz TZMCGWUPMHQRQA-GJZGRUSLSA-N 1 0 290.407 2.741 50 0 CFAARO CN1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000020122537 171002973 /nfs/dbraw/zinc/00/29/73/171002973.db2.gz XDYXGPAROFTBQT-UHFFFAOYSA-N 1 0 252.789 2.566 50 0 CFAARO CC(C)C(=O)NCC[NH2+]Cc1cccc2ccccc21 ZINC000020125102 171007645 /nfs/dbraw/zinc/00/76/45/171007645.db2.gz JEJMSSAPPUXDMX-UHFFFAOYSA-N 1 0 270.376 2.702 50 0 CFAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccnc2)c1 ZINC000020141298 171028048 /nfs/dbraw/zinc/02/80/48/171028048.db2.gz BTSRZLYVOGCANR-GFCCVEGCSA-N 1 0 269.348 2.891 50 0 CFAARO COCCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000020142855 171028599 /nfs/dbraw/zinc/02/85/99/171028599.db2.gz YIUZRQZGDALMQC-UHFFFAOYSA-N 1 0 267.369 2.609 50 0 CFAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccncc2)c1 ZINC000020187518 171051855 /nfs/dbraw/zinc/05/18/55/171051855.db2.gz TYJPNAVYKFXMMW-LBPRGKRZSA-N 1 0 269.348 2.891 50 0 CFAARO Cc1nn(-c2ccccc2)c2nc(C)c(C[NH3+])c(C)c12 ZINC000020274255 171131494 /nfs/dbraw/zinc/13/14/94/171131494.db2.gz HLBXTJHZICYTDM-UHFFFAOYSA-N 1 0 266.348 2.804 50 0 CFAARO CC(C)(C)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000020294373 171134425 /nfs/dbraw/zinc/13/44/25/171134425.db2.gz LWNDAQZDNQTWFT-KRWDZBQOSA-N 1 0 290.451 2.601 50 0 CFAARO Brc1cccc(OCC[NH2+]C2CC2)c1 ZINC000020361145 171159454 /nfs/dbraw/zinc/15/94/54/171159454.db2.gz HOFAJWGGIVTIMB-UHFFFAOYSA-N 1 0 256.143 2.580 50 0 CFAARO CC[NH+]1CCN(CCOc2ccc3ccccc3c2)CC1 ZINC000020390123 171178778 /nfs/dbraw/zinc/17/87/78/171178778.db2.gz VXQKIXHOZCIRCH-UHFFFAOYSA-N 1 0 284.403 2.856 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000020476879 171221145 /nfs/dbraw/zinc/22/11/45/171221145.db2.gz OOKIPXSHAWRULY-HNNXBMFYSA-N 1 0 294.826 2.923 50 0 CFAARO CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000020486542 171226414 /nfs/dbraw/zinc/22/64/14/171226414.db2.gz ORSZYUZYPIHRAN-QGZVFWFLSA-N 1 0 282.387 2.605 50 0 CFAARO CC(C)=CCN1CC[N@H+](CC2CCCCC2)C[C@@H]1CCO ZINC000020537268 171241130 /nfs/dbraw/zinc/24/11/30/171241130.db2.gz QPCWDXVXZUJVOD-SFHVURJKSA-N 1 0 294.483 2.902 50 0 CFAARO CC(C)[C@H](CC[NH+]1CCN(C)CC1)c1ccco1 ZINC000020590257 171260819 /nfs/dbraw/zinc/26/08/19/171260819.db2.gz BCVOUWPAEAWMBC-AWEZNQCLSA-N 1 0 250.386 2.657 50 0 CFAARO C[NH+]1CCN(CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000020652636 171268913 /nfs/dbraw/zinc/26/89/13/171268913.db2.gz ZFTNQADGADLWMF-UHFFFAOYSA-N 1 0 276.424 2.610 50 0 CFAARO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000020877464 171277805 /nfs/dbraw/zinc/27/78/05/171277805.db2.gz KXKJUFSGQAJEKX-INWMFGNUSA-N 1 0 295.390 2.511 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCOC)cc1OC ZINC000020931278 171280857 /nfs/dbraw/zinc/28/08/57/171280857.db2.gz ORDFCAPWQIJSLG-UHFFFAOYSA-N 1 0 267.369 2.610 50 0 CFAARO CCCOc1ccc(CNCCC[NH2+]C)cc1Cl ZINC000020967398 171282377 /nfs/dbraw/zinc/28/23/77/171282377.db2.gz MWBDHLRXNMLDEG-UHFFFAOYSA-N 1 0 270.804 2.828 50 0 CFAARO C(=C/c1ccccc1)\CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000022455842 171387981 /nfs/dbraw/zinc/38/79/81/171387981.db2.gz KPGDSVYIPIXFOR-BBOMDTFKSA-N 1 0 288.460 2.823 50 0 CFAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccn1)c1ccccc1 ZINC000022752116 171397077 /nfs/dbraw/zinc/39/70/77/171397077.db2.gz XYWNTULSNWHVCC-KRWDZBQOSA-N 1 0 297.402 2.895 50 0 CFAARO C[C@@H]([N@H+](C)Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000027133159 171508814 /nfs/dbraw/zinc/50/88/14/171508814.db2.gz UBNWPGTZXAGMHN-LLVKDONJSA-N 1 0 273.380 2.790 50 0 CFAARO c1csc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCCO2)c1 ZINC000030664062 171620388 /nfs/dbraw/zinc/62/03/88/171620388.db2.gz NKXLVRZAJPZYSD-GFCCVEGCSA-N 1 0 277.393 2.797 50 0 CFAARO OC1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000032119140 171711164 /nfs/dbraw/zinc/71/11/64/171711164.db2.gz JSUSGUSVGHGROY-UHFFFAOYSA-N 1 0 271.360 2.675 50 0 CFAARO c1csc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)c1 ZINC000035255556 172085542 /nfs/dbraw/zinc/08/55/42/172085542.db2.gz JHXPNFUKXMWEJO-UHFFFAOYSA-N 1 0 270.361 2.823 50 0 CFAARO [NH3+][C@H](CC(=O)NCC1CCCCC1)c1ccccc1 ZINC000037259850 173069900 /nfs/dbraw/zinc/06/99/00/173069900.db2.gz SPPULJYVXKQWKR-OAHLLOKOSA-N 1 0 260.381 2.773 50 0 CFAARO CCOc1ccccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408275 173184699 /nfs/dbraw/zinc/18/46/99/173184699.db2.gz WIAWXSHDOYSPBN-CQSZACIVSA-N 1 0 274.408 2.659 50 0 CFAARO O[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000037490700 173232401 /nfs/dbraw/zinc/23/24/01/173232401.db2.gz KBXDZHLWXBDDFT-ZWKOTPCHSA-N 1 0 288.435 2.544 50 0 CFAARO c1ccc(CCN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000037515580 173246925 /nfs/dbraw/zinc/24/69/25/173246925.db2.gz ZQSZPVKLPMMWPQ-UHFFFAOYSA-N 1 0 258.409 2.693 50 0 CFAARO CCN(C(=O)C[NH2+]CC1CC1)[C@@H](C)c1ccc(F)cc1 ZINC000037816040 173765660 /nfs/dbraw/zinc/76/56/60/173765660.db2.gz PSILBIQYHBVNHB-LBPRGKRZSA-N 1 0 278.371 2.735 50 0 CFAARO CC(C)([NH2+]Cc1ccccc1N)[C@@H](O)c1ccccc1 ZINC000039257924 174167559 /nfs/dbraw/zinc/16/75/59/174167559.db2.gz GCKLXOZWXQZAKZ-INIZCTEOSA-N 1 0 270.376 2.871 50 0 CFAARO COc1cccc(NC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000040095288 174189814 /nfs/dbraw/zinc/18/98/14/174189814.db2.gz SNCXOLPZOZCDSW-UHFFFAOYSA-N 1 0 291.395 2.549 50 0 CFAARO CC1CC[NH+](CC(=O)NCCC2=CCCCC2)CC1 ZINC000040161812 174196075 /nfs/dbraw/zinc/19/60/75/174196075.db2.gz ZPLSRPOCJOOIQG-UHFFFAOYSA-N 1 0 264.413 2.725 50 0 CFAARO COc1cccc(-c2cncc(OCC3CC[NH2+]CC3)n2)c1 ZINC000040450021 174265971 /nfs/dbraw/zinc/26/59/71/174265971.db2.gz MTPAIQNZPBXDEW-UHFFFAOYSA-N 1 0 299.374 2.531 50 0 CFAARO CCOc1cc(C[NH2+]CCN(C)C)ccc1OC(C)C ZINC000040719580 174385445 /nfs/dbraw/zinc/38/54/45/174385445.db2.gz AAAKLMDSODMNBO-UHFFFAOYSA-N 1 0 280.412 2.524 50 0 CFAARO CC[NH+]1CCC(NC(=O)CSCc2ccccc2)CC1 ZINC000044091644 175140932 /nfs/dbraw/zinc/14/09/32/175140932.db2.gz BEYJERFMVLSMAA-UHFFFAOYSA-N 1 0 292.448 2.520 50 0 CFAARO CC[N@H+](CCC(=O)NC1CC1)Cc1ccc(Cl)s1 ZINC000045735713 175382866 /nfs/dbraw/zinc/38/28/66/175382866.db2.gz DLUVAAYRSIYZGE-UHFFFAOYSA-N 1 0 286.828 2.892 50 0 CFAARO CCOc1ccccc1C[NH2+]CCOc1ccccn1 ZINC000045945444 175387740 /nfs/dbraw/zinc/38/77/40/175387740.db2.gz UKEMCNBUXHBNRT-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO CCCn1cc(C[NH2+][C@H](CC)CO)c2ccccc21 ZINC000045945200 175387773 /nfs/dbraw/zinc/38/77/73/175387773.db2.gz HUCRSNOGMSBVKA-CQSZACIVSA-N 1 0 260.381 2.912 50 0 CFAARO Fc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000045945421 175388114 /nfs/dbraw/zinc/38/81/14/175388114.db2.gz GAXFFWAQKVAPKO-UHFFFAOYSA-N 1 0 260.312 2.779 50 0 CFAARO CCCCCC[NH+]1CCC(n2cc(COC)nn2)CC1 ZINC000055088578 175569383 /nfs/dbraw/zinc/56/93/83/175569383.db2.gz YHFHPBVVHJSQPV-UHFFFAOYSA-N 1 0 280.416 2.642 50 0 CFAARO CSc1ccc(CN(C(=O)[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000055383171 175577366 /nfs/dbraw/zinc/57/73/66/175577366.db2.gz QOKOBSJGDIBLPZ-HNNXBMFYSA-N 1 0 290.432 2.652 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1 ZINC000063193244 175684360 /nfs/dbraw/zinc/68/43/60/175684360.db2.gz RMBASOVUGZZLBI-NKMFSUHESA-N 1 0 276.355 2.567 50 0 CFAARO CSCc1noc(C[NH2+][C@@H]2CCCC(C)(C)C2)n1 ZINC000067935308 175802810 /nfs/dbraw/zinc/80/28/10/175802810.db2.gz WFRYEPQFBDGMHE-SNVBAGLBSA-N 1 0 269.414 2.991 50 0 CFAARO NC(=[NH2+])NCCC(c1ccccc1)c1ccccc1 ZINC000069656046 175845120 /nfs/dbraw/zinc/84/51/20/175845120.db2.gz LBLUQYDHSQBBPN-UHFFFAOYSA-N 1 0 253.349 2.692 50 0 CFAARO Cc1nc(CN2CCC[C@H]([NH2+]CC3CCCCC3)C2)no1 ZINC000069708235 175849305 /nfs/dbraw/zinc/84/93/05/175849305.db2.gz URNDOTMNOZBXTG-HNNXBMFYSA-N 1 0 292.427 2.512 50 0 CFAARO COCc1ccc(CNC(=[NH2+])Nc2ccccc2)cc1 ZINC000069778224 175853207 /nfs/dbraw/zinc/85/32/07/175853207.db2.gz ZSQKKIJAJVDJRX-UHFFFAOYSA-N 1 0 269.348 2.969 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]C[C@H](O)c2ccccc2Cl)c1 ZINC000069810230 175854996 /nfs/dbraw/zinc/85/49/96/175854996.db2.gz CAXCGZZLOZDYGO-DOMZBBRYSA-N 1 0 293.798 2.557 50 0 CFAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071186188 176060166 /nfs/dbraw/zinc/06/01/66/176060166.db2.gz RLQCHZXJQVMBTR-MRXNPFEDSA-N 1 0 297.402 2.868 50 0 CFAARO CCSc1ncc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000071523631 176194129 /nfs/dbraw/zinc/19/41/29/176194129.db2.gz XPYFCBVBHZWXNV-OKILXGFUSA-N 1 0 275.421 2.987 50 0 CFAARO CC[C@@H]1C[N@H+](CC2CC2)CCC(=O)N1Cc1ccccc1 ZINC000071681600 176245644 /nfs/dbraw/zinc/24/56/44/176245644.db2.gz PZEGBXZOBNKYSP-QGZVFWFLSA-N 1 0 286.419 2.910 50 0 CFAARO Cc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1C ZINC000071745551 176258407 /nfs/dbraw/zinc/25/84/07/176258407.db2.gz IQOOPFXRDRWNOL-UHFFFAOYSA-N 1 0 286.419 2.890 50 0 CFAARO CCCNc1ncc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cn1 ZINC000071748268 176258714 /nfs/dbraw/zinc/25/87/14/176258714.db2.gz YMQOIAQHXIPODP-GASCZTMLSA-N 1 0 272.396 2.697 50 0 CFAARO Nc1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)ncn1 ZINC000071750254 176259738 /nfs/dbraw/zinc/25/97/38/176259738.db2.gz IOBWDIHIENKXLM-AWEZNQCLSA-N 1 0 298.390 2.506 50 0 CFAARO Nc1nccc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071757137 176260496 /nfs/dbraw/zinc/26/04/96/176260496.db2.gz PIUIFYAEBBYZRO-CQSZACIVSA-N 1 0 298.390 2.506 50 0 CFAARO O=c1[nH]cccc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071763433 176261638 /nfs/dbraw/zinc/26/16/38/176261638.db2.gz JCXIKLNGTNQUTI-OAHLLOKOSA-N 1 0 298.386 2.822 50 0 CFAARO c1ccc(-c2nnc([C@@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000071790935 176263029 /nfs/dbraw/zinc/26/30/29/176263029.db2.gz RSGKCFLEXQWOQV-LBPRGKRZSA-N 1 0 255.321 2.594 50 0 CFAARO Cc1cc(NC[C@H]2CCCO[C@@H]2c2ccccc2)nc(N)[nH+]1 ZINC000071828008 176272462 /nfs/dbraw/zinc/27/24/62/176272462.db2.gz RXQUMCNZRROBRU-GDBMZVCRSA-N 1 0 298.390 2.947 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccccc3)CC2)C1 ZINC000071837415 176273958 /nfs/dbraw/zinc/27/39/58/176273958.db2.gz MJSIFMZTTCULHY-HNNXBMFYSA-N 1 0 286.419 2.565 50 0 CFAARO c1ncn(C[C@H]2CCCC[N@H+]2CCCc2ccccc2)n1 ZINC000071876297 176286038 /nfs/dbraw/zinc/28/60/38/176286038.db2.gz JEMSZOQXIWXDLA-QGZVFWFLSA-N 1 0 284.407 2.765 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000071880488 176287688 /nfs/dbraw/zinc/28/76/88/176287688.db2.gz GRVCQGMQKIEZQR-IRXDYDNUSA-N 1 0 290.382 2.801 50 0 CFAARO Cc1ccc([C@H]([NH2+][C@H](C)C(N)=O)c2ccccc2)cc1 ZINC000071885738 176289962 /nfs/dbraw/zinc/28/99/62/176289962.db2.gz BWCOJDFHBCYJEG-CZUORRHYSA-N 1 0 268.360 2.548 50 0 CFAARO CC(C)(C)OC(=O)NCCC[NH+]1Cc2ccccc2C1 ZINC000071888622 176290909 /nfs/dbraw/zinc/29/09/09/176290909.db2.gz BSILDTBRBLKGHU-UHFFFAOYSA-N 1 0 276.380 2.917 50 0 CFAARO OCC[N@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000071907827 176296843 /nfs/dbraw/zinc/29/68/43/176296843.db2.gz BWDKFUHKEYTHNR-RTBURBONSA-N 1 0 297.398 2.702 50 0 CFAARO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCCCO ZINC000071921065 176300352 /nfs/dbraw/zinc/30/03/52/176300352.db2.gz OERZQBYLBMNSHO-KRWDZBQOSA-N 1 0 290.451 2.745 50 0 CFAARO C[C@@H](C1CC1)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000071921548 176300924 /nfs/dbraw/zinc/30/09/24/176300924.db2.gz RTAJWLIATTVDJQ-STQMWFEESA-N 1 0 282.428 2.974 50 0 CFAARO Cc1c[nH+]ccc1NCCn1ccnc1-c1ccccn1 ZINC000072121559 176320290 /nfs/dbraw/zinc/32/02/90/176320290.db2.gz ZRZXKYUEOGVSQD-UHFFFAOYSA-N 1 0 279.347 2.761 50 0 CFAARO CC[NH2+]CCOc1ccc(-c2cc(N)nc3[nH]ccc32)cc1 ZINC000072143008 176324469 /nfs/dbraw/zinc/32/44/69/176324469.db2.gz FCLGWTOIOAKIDB-UHFFFAOYSA-N 1 0 296.374 2.800 50 0 CFAARO Nc1cnc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)cn1 ZINC000072151457 176327360 /nfs/dbraw/zinc/32/73/60/176327360.db2.gz CTGGFJQFAYQNIV-AWEZNQCLSA-N 1 0 298.390 2.506 50 0 CFAARO Cc1cc(N2CCC[C@@H]([NH3+])CC2)nc(-c2ccccc2)n1 ZINC000072159066 176329405 /nfs/dbraw/zinc/32/94/05/176329405.db2.gz WQRXWVKIAVESLO-OAHLLOKOSA-N 1 0 282.391 2.770 50 0 CFAARO Fc1cccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1F ZINC000072162828 176330792 /nfs/dbraw/zinc/33/07/92/176330792.db2.gz SNYZHDUIOMHZQU-HNNXBMFYSA-N 1 0 266.335 2.540 50 0 CFAARO CCCc1cc(NC[C@H](CCC)[NH+](C)C)n2nccc2n1 ZINC000072174275 176333616 /nfs/dbraw/zinc/33/36/16/176333616.db2.gz JKMLBBKQDLHFAD-AWEZNQCLSA-N 1 0 289.427 2.824 50 0 CFAARO COc1cccc([C@@H](CNc2nnc(C)s2)[NH+](C)C)c1 ZINC000072293291 176362528 /nfs/dbraw/zinc/36/25/28/176362528.db2.gz AXZVTCPOBVRKMK-CYBMUJFWSA-N 1 0 292.408 2.570 50 0 CFAARO CCOc1ccccc1-c1noc(CC2CC[NH2+]CC2)n1 ZINC000072328579 176369837 /nfs/dbraw/zinc/36/98/37/176369837.db2.gz UKOJDVRWXVXNHG-UHFFFAOYSA-N 1 0 287.363 2.677 50 0 CFAARO C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)CC1(CO)CC1 ZINC000072411559 176398926 /nfs/dbraw/zinc/39/89/26/176398926.db2.gz MEKVJNNKXITNAF-UHFFFAOYSA-N 1 0 291.435 2.594 50 0 CFAARO FC(F)c1cc([C@@H]2C[NH2+]C[C@@H]2c2ccccc2)[nH]n1 ZINC000077010748 177146304 /nfs/dbraw/zinc/14/63/04/177146304.db2.gz SMJGPBCAXUSGBL-GHMZBOCLSA-N 1 0 263.291 2.818 50 0 CFAARO c1ccc2cc(N3CCN(C[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000077357752 177257058 /nfs/dbraw/zinc/25/70/58/177257058.db2.gz IQKZQPFNRGVYFP-INIZCTEOSA-N 1 0 295.430 2.571 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000078552981 177353141 /nfs/dbraw/zinc/35/31/41/177353141.db2.gz UMFCHFGVXDEKTJ-WMLDXEAASA-N 1 0 284.407 2.643 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccccc3)C2)o1 ZINC000078553562 177353826 /nfs/dbraw/zinc/35/38/26/177353826.db2.gz OYPKBPJUKUZJLF-INIZCTEOSA-N 1 0 298.386 2.982 50 0 CFAARO Oc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)c1 ZINC000078604199 177359232 /nfs/dbraw/zinc/35/92/32/177359232.db2.gz GNJGFFNPVKHNGY-OAHLLOKOSA-N 1 0 268.360 2.761 50 0 CFAARO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000079029461 177418410 /nfs/dbraw/zinc/41/84/10/177418410.db2.gz JBVYVHWCPPQPQT-CPCISQLKSA-N 1 0 275.179 2.908 50 0 CFAARO CCn1nncc1C[NH2+]Cc1cc2ccccc2s1 ZINC000417967188 227253683 /nfs/dbraw/zinc/25/36/83/227253683.db2.gz MZONTYAAHFEQCC-UHFFFAOYSA-N 1 0 272.377 2.803 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccc(F)cc1Cl ZINC000827267960 782033618 /nfs/dbraw/zinc/03/36/18/782033618.db2.gz DMRUUUQIMAYOOH-GFCCVEGCSA-N 1 0 299.777 2.502 50 0 CFAARO C[NH2+]CCOc1c(C)cc(C)cc1Br ZINC000002844481 261292139 /nfs/dbraw/zinc/29/21/39/261292139.db2.gz ARCXNTNVRTVMGL-UHFFFAOYSA-N 1 0 258.159 2.664 50 0 CFAARO COc1ccccc1[C@H](NC(=O)[C@H]1CC[NH2+]C1)C(C)(C)C ZINC000237279455 262628762 /nfs/dbraw/zinc/62/87/62/262628762.db2.gz FGTHWKYPPKQROV-WFASDCNBSA-N 1 0 290.407 2.508 50 0 CFAARO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCN2CCOC2=O)C1 ZINC000096441534 533688539 /nfs/dbraw/zinc/68/85/39/533688539.db2.gz JWIACOQJQILTOG-DOMZBBRYSA-N 1 0 292.354 2.661 50 0 CFAARO CC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000032529836 287650469 /nfs/dbraw/zinc/65/04/69/287650469.db2.gz XMWITFRDNMQRIN-SLEUVZQESA-N 1 0 253.361 2.753 50 0 CFAARO COc1c(F)cccc1CN(C)C[C@H]1CCCC[N@@H+]1C ZINC000215457011 274090070 /nfs/dbraw/zinc/09/00/70/274090070.db2.gz VWENFDZAHXIHJJ-CQSZACIVSA-N 1 0 280.387 2.750 50 0 CFAARO Cc1ccc([C@H]2NC(=[NH2+])N=C3Nc4ccccc4[C@@H]32)s1 ZINC000100783192 274762062 /nfs/dbraw/zinc/76/20/62/274762062.db2.gz URSVULOYNKDGKH-CHWSQXEVSA-N 1 0 282.372 2.843 50 0 CFAARO O=C(c1ccoc1)N1CCC[N@H+](C[C@@H]2CC=CCC2)CC1 ZINC000371412768 275014714 /nfs/dbraw/zinc/01/47/14/275014714.db2.gz XXULMRJVERPVCN-OAHLLOKOSA-N 1 0 288.391 2.784 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000085334222 275055321 /nfs/dbraw/zinc/05/53/21/275055321.db2.gz HPZYSTOBOMZXPV-IEBWSBKVSA-N 1 0 290.366 2.983 50 0 CFAARO Brc1ccc(-c2nc3c(o2)CC[NH2+]C3)cc1 ZINC000066354229 275368830 /nfs/dbraw/zinc/36/88/30/275368830.db2.gz SIWNEELMSUHJGO-UHFFFAOYSA-N 1 0 279.137 2.750 50 0 CFAARO CC(C)[C@@H]([NH2+]C1Cc2ccccc2C1)c1nccn1C ZINC000065528183 275674521 /nfs/dbraw/zinc/67/45/21/275674521.db2.gz MWCHXKTVIZYEBI-MRXNPFEDSA-N 1 0 269.392 2.874 50 0 CFAARO C([C@@H]1CCCCO1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000069655723 275727172 /nfs/dbraw/zinc/72/71/72/275727172.db2.gz RMDOAPZLYOTABJ-SJORKVTESA-N 1 0 280.456 2.896 50 0 CFAARO C/C=C/CC(=O)N1C[C@@H](c2ccc(C)cc2)[C@H]([NH+](C)C)C1 ZINC000095518193 275731902 /nfs/dbraw/zinc/73/19/02/275731902.db2.gz SNPWIHDBLBEYLU-LZCSOBMZSA-N 1 0 286.419 2.817 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCCn2ncnc21 ZINC000241588473 275913118 /nfs/dbraw/zinc/91/31/18/275913118.db2.gz PDMKGYBQJWLPHY-MJBXVCDLSA-N 1 0 260.385 2.695 50 0 CFAARO CC[N@@H+]1CCCN(c2ncnc3c(C)csc32)CC1 ZINC000225456079 276165456 /nfs/dbraw/zinc/16/54/56/276165456.db2.gz ZAYUGBPUDSSVDP-UHFFFAOYSA-N 1 0 276.409 2.532 50 0 CFAARO CCCO[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000242156015 276267317 /nfs/dbraw/zinc/26/73/17/276267317.db2.gz WVBLTBAGBRACKT-VXGBXAGGSA-N 1 0 283.334 2.581 50 0 CFAARO C=C1[NH+]=C(NC)S[C@H](c2ccccc2)C1C(=O)OCC ZINC000004478138 276274066 /nfs/dbraw/zinc/27/40/66/276274066.db2.gz MHDSNTIFOYTVRI-CYBMUJFWSA-N 1 0 290.388 2.887 50 0 CFAARO CCN(C(C)=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106132165 276301948 /nfs/dbraw/zinc/30/19/48/276301948.db2.gz AQJCTIIATUSJFQ-CZUORRHYSA-N 1 0 260.381 2.690 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CN2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564488 276368135 /nfs/dbraw/zinc/36/81/35/276368135.db2.gz PGKFBXWBVZKJJJ-CQSZACIVSA-N 1 0 290.455 2.623 50 0 CFAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000241588305 276656172 /nfs/dbraw/zinc/65/61/72/276656172.db2.gz PBUJFFYRTVJLAV-HLIPFELVSA-N 1 0 291.460 2.823 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2sccc2C(C)C)C1 ZINC000133159032 277042109 /nfs/dbraw/zinc/04/21/09/277042109.db2.gz AMLAGWCHUXOAPJ-NSHDSACASA-N 1 0 266.410 2.696 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)CCOCC1 ZINC000108477079 277188245 /nfs/dbraw/zinc/18/82/45/277188245.db2.gz UHBHLUOGFRGUDA-MGPQQGTHSA-N 1 0 255.402 2.596 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000252507283 277222376 /nfs/dbraw/zinc/22/23/76/277222376.db2.gz WFYOYBGKKVSUOY-OLZOCXBDSA-N 1 0 284.469 2.509 50 0 CFAARO C[NH2+]CCCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000237145809 277266434 /nfs/dbraw/zinc/26/64/34/277266434.db2.gz NQAIEWPECYTLGM-GJZGRUSLSA-N 1 0 274.408 2.699 50 0 CFAARO COC1(c2ccccc2)CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000091426957 277474925 /nfs/dbraw/zinc/47/49/25/277474925.db2.gz FPQZTLOEEUTYJR-UHFFFAOYSA-N 1 0 298.390 2.509 50 0 CFAARO CC(C)N1CC[C@H]([NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070299375 277626932 /nfs/dbraw/zinc/62/69/32/277626932.db2.gz ICBHPSKIKLGCED-STQMWFEESA-N 1 0 256.752 2.962 50 0 CFAARO C/C(=C/C(=O)N1CCCC[C@H]1C[NH3+])c1cccc(F)c1 ZINC000236623078 277726956 /nfs/dbraw/zinc/72/69/56/277726956.db2.gz BQVZIGXVPWVFPR-LMRWQKIVSA-N 1 0 276.355 2.569 50 0 CFAARO COc1ccc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000002582602 277869825 /nfs/dbraw/zinc/86/98/25/277869825.db2.gz MISWUQUOGCFJPF-JTQLQIEISA-N 1 0 256.143 2.882 50 0 CFAARO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000253370920 277977584 /nfs/dbraw/zinc/97/75/84/277977584.db2.gz YAJDBMRSEQFPDR-AYRXBEOTSA-N 1 0 291.391 2.544 50 0 CFAARO C[C@H](c1ccc(-c2nc(N(C)C)ns2)cc1)[NH+](C)C ZINC000426604515 278305266 /nfs/dbraw/zinc/30/52/66/278305266.db2.gz OUPRWTQGJIEIAX-SNVBAGLBSA-N 1 0 276.409 2.894 50 0 CFAARO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)CC[NH3+] ZINC000225464079 278483499 /nfs/dbraw/zinc/48/34/99/278483499.db2.gz SAYXCEKIFLVQTR-CYBMUJFWSA-N 1 0 254.418 2.837 50 0 CFAARO C[C@H]1CN(Cc2cccc(O)c2)c2ccccc2C[NH2+]1 ZINC000094690573 279867344 /nfs/dbraw/zinc/86/73/44/279867344.db2.gz LCFJZZQHVUQGAA-ZDUSSCGKSA-N 1 0 268.360 2.891 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000105905377 280832334 /nfs/dbraw/zinc/83/23/34/280832334.db2.gz YKQNNQMZBVDRTD-KRWDZBQOSA-N 1 0 296.418 2.852 50 0 CFAARO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000269227281 281081198 /nfs/dbraw/zinc/08/11/98/281081198.db2.gz RCDHHKUCHOHCOW-MCIONIFRSA-N 1 0 288.391 2.626 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(CCO)CCOC1)[C@H](C)C2 ZINC000246030351 281119356 /nfs/dbraw/zinc/11/93/56/281119356.db2.gz VZBQTWKQEBDVAN-ZTFGCOKTSA-N 1 0 289.419 2.607 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1C ZINC000070176132 281190296 /nfs/dbraw/zinc/19/02/96/281190296.db2.gz HIVDYVYMGPONAZ-SWLSCSKDSA-N 1 0 260.381 2.503 50 0 CFAARO CC1(C)C[C@@H]([NH2+]C2CCN(C3CC3)CC2)C(C)(C)O1 ZINC000089917916 281316290 /nfs/dbraw/zinc/31/62/90/281316290.db2.gz JQYWDEXWQBIDCC-CQSZACIVSA-N 1 0 266.429 2.549 50 0 CFAARO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[C@H](C(N)=O)C1 ZINC000527667656 281338983 /nfs/dbraw/zinc/33/89/83/281338983.db2.gz YGMJCPKPGBCXNN-QWRGUYRKSA-N 1 0 276.371 2.692 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cccs1)CCC2 ZINC000089702137 281547481 /nfs/dbraw/zinc/54/74/81/281547481.db2.gz RAHFEHQTRYLIBR-GFCCVEGCSA-N 1 0 261.394 2.920 50 0 CFAARO CN(C)C(=O)CCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129522674 281907160 /nfs/dbraw/zinc/90/71/60/281907160.db2.gz MYUOTNGVBGKZPO-GHMZBOCLSA-N 1 0 280.334 2.566 50 0 CFAARO C[NH+](C)C[C@H]1CSCC[C@@]1(O)c1cccc(Cl)c1 ZINC000000347739 289218711 /nfs/dbraw/zinc/21/87/11/289218711.db2.gz QKNJHOKHYFXNOT-GXTWGEPZSA-N 1 0 285.840 2.842 50 0 CFAARO [NH3+]C[C@H]1Cc2cc(-c3nc4ccccc4o3)cc(F)c2O1 ZINC000067885196 295276516 /nfs/dbraw/zinc/27/65/16/295276516.db2.gz JACDLLMTZKCPMA-LLVKDONJSA-N 1 0 284.290 2.896 50 0 CFAARO [NH3+][C@H]1CCCCN(C(=O)c2scc3c2CCCC3)C1 ZINC000082098336 295333397 /nfs/dbraw/zinc/33/33/97/295333397.db2.gz IJQYVBJPRXPEKN-LBPRGKRZSA-N 1 0 278.421 2.580 50 0 CFAARO C[C@@H](NC(=O)C[N@H+](C)C1CCCC1)C1=CCCCC1 ZINC000827989716 782064056 /nfs/dbraw/zinc/06/40/56/782064056.db2.gz ZHIJNPPCMLEVMH-CYBMUJFWSA-N 1 0 264.413 2.866 50 0 CFAARO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(F)(F)F ZINC000195570159 304840789 /nfs/dbraw/zinc/84/07/89/304840789.db2.gz JEJCURJKGQZYBR-XLPZGREQSA-N 1 0 279.224 2.620 50 0 CFAARO CO[C@@H]1CCC[N@H+](Cc2cncn2C2CCCCC2)C1 ZINC000243957117 328042303 /nfs/dbraw/zinc/04/23/03/328042303.db2.gz CFZLCLKTHNMEAP-MRXNPFEDSA-N 1 0 277.412 2.999 50 0 CFAARO Fc1cccc(-c2cc(C[NH2+][C@@H]3CCCOC3)on2)c1 ZINC000534647331 328342879 /nfs/dbraw/zinc/34/28/79/328342879.db2.gz HZMHPURINKXWHI-CYBMUJFWSA-N 1 0 276.311 2.749 50 0 CFAARO C[C@H](CCO)[NH2+]CC1(c2ccccc2F)CCCC1 ZINC000534655245 328339733 /nfs/dbraw/zinc/33/97/33/328339733.db2.gz RZHOGRIUYWFMLO-CYBMUJFWSA-N 1 0 265.372 2.998 50 0 CFAARO Cc1ccnc(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000534656965 328340772 /nfs/dbraw/zinc/34/07/72/328340772.db2.gz IVLWHAWMODYFMX-UHFFFAOYSA-N 1 0 299.374 2.509 50 0 CFAARO Cc1[nH]ccc1C(=O)N[C@H](CC[NH+](C)C)c1ccccc1 ZINC000534664776 328344570 /nfs/dbraw/zinc/34/45/70/328344570.db2.gz KTLROSUANNVEBP-MRXNPFEDSA-N 1 0 285.391 2.746 50 0 CFAARO CCC[C@H](CNC(=O)c1ccc(C)n1C(F)F)[NH+](C)C ZINC000534662400 328350423 /nfs/dbraw/zinc/35/04/23/328350423.db2.gz LZNBEXUBPYWACT-LLVKDONJSA-N 1 0 287.354 2.652 50 0 CFAARO Cc1cnccc1CC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000574531272 322696709 /nfs/dbraw/zinc/69/67/09/322696709.db2.gz OIKHKCASVIIHEL-CQSZACIVSA-N 1 0 280.375 2.931 50 0 CFAARO O[C@H](C[NH+]1CCN(c2cccs2)CC1)C1CCCCC1 ZINC000191352195 324048689 /nfs/dbraw/zinc/04/86/89/324048689.db2.gz RMPVDZACPHZULK-OAHLLOKOSA-N 1 0 294.464 2.811 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cnnc1C1CC1)[C@H](C)C2 ZINC000195553765 324108301 /nfs/dbraw/zinc/10/83/01/324108301.db2.gz JKZKPAJQTPSYIW-DYVFJYSZSA-N 1 0 296.418 2.987 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000195577404 324109459 /nfs/dbraw/zinc/10/94/59/324109459.db2.gz BOSTUVDLPYWVAS-OPRDCNLKSA-N 1 0 271.348 2.564 50 0 CFAARO c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000019369423 326854722 /nfs/dbraw/zinc/85/47/22/326854722.db2.gz FELMQTQLBFMOHQ-QGZVFWFLSA-N 1 0 252.361 2.833 50 0 CFAARO CC(C)(C)c1ccc2oc(N3CCC[NH2+]CC3)nc2c1 ZINC000062541881 328753549 /nfs/dbraw/zinc/75/35/49/328753549.db2.gz SRYFEFMPFCPEOK-UHFFFAOYSA-N 1 0 273.380 2.925 50 0 CFAARO c1cnnc(N2CCC[C@@H]2C[NH2+]C2CCCCCC2)c1 ZINC000072254104 329523952 /nfs/dbraw/zinc/52/39/52/329523952.db2.gz BKUSGRQKWWQKKS-OAHLLOKOSA-N 1 0 274.412 2.758 50 0 CFAARO Cc1occc1SCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000131470298 329528003 /nfs/dbraw/zinc/52/80/03/329528003.db2.gz HUVCGRNDCPSNOC-UHFFFAOYSA-N 1 0 296.436 2.669 50 0 CFAARO C[C@@H](C[N@@H+]1CCOC2(CCOCC2)C1)c1ccc(F)cc1 ZINC000170603050 533847672 /nfs/dbraw/zinc/84/76/72/533847672.db2.gz VAZCGGGCHQUDAI-AWEZNQCLSA-N 1 0 293.382 2.811 50 0 CFAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nccn1C ZINC000195515420 534112379 /nfs/dbraw/zinc/11/23/79/534112379.db2.gz XRWJUCOMPWDIPV-HNNXBMFYSA-N 1 0 285.391 2.636 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccco2)C12CCCC2 ZINC000221719210 520426395 /nfs/dbraw/zinc/42/63/95/520426395.db2.gz WLDDIBYRQYASLH-VHDGCEQUSA-N 1 0 279.380 2.640 50 0 CFAARO CCc1ccc([C@H](C)[NH2+]C[C@H](c2cnn(C)c2)N(C)C)o1 ZINC000096477926 524046312 /nfs/dbraw/zinc/04/63/12/524046312.db2.gz SQAZMTDMSSZNNT-SWLSCSKDSA-N 1 0 290.411 2.529 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000035268957 524211195 /nfs/dbraw/zinc/21/11/95/524211195.db2.gz VNFNYGIFQYBDFH-UHFFFAOYSA-N 1 0 279.771 2.725 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCN2CCc3ccccc32)n1 ZINC000067872549 524531604 /nfs/dbraw/zinc/53/16/04/524531604.db2.gz YVYYDQNCMFBNCA-OAHLLOKOSA-N 1 0 298.434 2.541 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)cc1F ZINC000156241420 526247044 /nfs/dbraw/zinc/24/70/44/526247044.db2.gz HEOOCKGNQHMBRO-WDEREUQCSA-N 1 0 298.789 2.987 50 0 CFAARO NC(=O)[C@H]([NH2+]CCc1cc2ccccc2o1)c1ccccc1 ZINC000151824193 526996992 /nfs/dbraw/zinc/99/69/92/526996992.db2.gz ZLYYEIZOQQOSGA-QGZVFWFLSA-N 1 0 294.354 2.792 50 0 CFAARO [NH3+]C1CCC(NC(=O)CC2CCCCCC2)CC1 ZINC000156692717 527140483 /nfs/dbraw/zinc/14/04/83/527140483.db2.gz ABQYVWYFMBYDOB-UHFFFAOYSA-N 1 0 252.402 2.733 50 0 CFAARO Cc1[nH+]c2ccccc2c(N2CC[C@](F)(CO)C2)c1C ZINC000338421303 527159468 /nfs/dbraw/zinc/15/94/68/527159468.db2.gz ONKHOPWDCBMRHV-MRXNPFEDSA-N 1 0 274.339 2.762 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](C(=O)NCCc2csc3ccccc23)C1 ZINC000178429505 527365360 /nfs/dbraw/zinc/36/53/60/527365360.db2.gz LMIDOZHLOQRPTQ-DGCLKSJQSA-N 1 0 288.416 2.687 50 0 CFAARO CC(C)n1ncc2cc(C[N@H+](C)[C@@H]3CCSC3)cnc21 ZINC000096485540 528663055 /nfs/dbraw/zinc/66/30/55/528663055.db2.gz UIJIGLYPRXKYCN-CQSZACIVSA-N 1 0 290.436 2.950 50 0 CFAARO C[NH2+]Cc1cc(-c2ccc(F)cc2Br)n[nH]1 ZINC000234412313 545497279 /nfs/dbraw/zinc/49/72/79/545497279.db2.gz ZGVROBYZHZTKFA-UHFFFAOYSA-N 1 0 284.132 2.698 50 0 CFAARO COc1cccc(OC)c1C[NH2+]C1CSCCSC1 ZINC000952975647 617306168 /nfs/dbraw/zinc/30/61/68/617306168.db2.gz SQROYKNTMJTSKR-UHFFFAOYSA-N 1 0 299.461 2.642 50 0 CFAARO CC(C)=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC23CC3)CC1 ZINC000952975503 614283948 /nfs/dbraw/zinc/28/39/48/614283948.db2.gz KJZOTIQOIMYJDW-INIZCTEOSA-N 1 0 290.451 2.971 50 0 CFAARO CCCC[C@H](NCc1nccn1C)c1cccnc1 ZINC000952965648 614487621 /nfs/dbraw/zinc/48/76/21/614487621.db2.gz SPEMWYGVEWYMDH-AWEZNQCLSA-N 1 0 258.369 2.836 50 0 CFAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH2+]CCN(C)C)o1 ZINC000022077610 617962141 /nfs/dbraw/zinc/96/21/41/617962141.db2.gz QRSQMGZGGRCZTB-GFCCVEGCSA-N 1 0 252.402 2.795 50 0 CFAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078316 617962499 /nfs/dbraw/zinc/96/24/99/617962499.db2.gz CCKDFFOOFQYJFW-IAQYHMDHSA-N 1 0 266.335 2.633 50 0 CFAARO CCC(CC)C[N@@H+]1CCN(CCC(C)C)[C@@H](CCO)C1 ZINC000022913415 618019074 /nfs/dbraw/zinc/01/90/74/618019074.db2.gz LDUDWJHAXDFMOD-KRWDZBQOSA-N 1 0 284.488 2.837 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000002498716 618172621 /nfs/dbraw/zinc/17/26/21/618172621.db2.gz VZOFCGUVUCUHGV-HOTGVXAUSA-N 1 0 278.440 2.923 50 0 CFAARO Cc1ccc(C)c(N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000023282622 618366660 /nfs/dbraw/zinc/36/66/60/618366660.db2.gz RLRWQTOOLGBOQG-OAHLLOKOSA-N 1 0 276.449 2.931 50 0 CFAARO CN(C)C(=O)C1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000162590399 618410709 /nfs/dbraw/zinc/41/07/09/618410709.db2.gz ZPNDGVSNNHWKIF-UHFFFAOYSA-N 1 0 286.375 2.733 50 0 CFAARO CCOC(=O)N1CCC([N@H+](C)CCc2ccccc2)CC1 ZINC000003683670 618686063 /nfs/dbraw/zinc/68/60/63/618686063.db2.gz YRIMJQITRNKRDT-UHFFFAOYSA-N 1 0 290.407 2.782 50 0 CFAARO CC(C)CC(=O)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257183620 618881622 /nfs/dbraw/zinc/88/16/22/618881622.db2.gz RTUDQXXYSSNWTE-OAHLLOKOSA-N 1 0 266.429 2.757 50 0 CFAARO COCCC1(C[NH2+]C[C@@H]2CC(C)=NO2)CCCCC1 ZINC000888095998 619131282 /nfs/dbraw/zinc/13/12/82/619131282.db2.gz OZTNRFRPBUBYQW-AWEZNQCLSA-N 1 0 268.401 2.728 50 0 CFAARO Cc1ccc(CCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000262069051 619477005 /nfs/dbraw/zinc/47/70/05/619477005.db2.gz SGIWGKWBJMEFDB-MRXNPFEDSA-N 1 0 288.435 2.822 50 0 CFAARO COc1ccc(-c2ccc(CNC(=O)C(C)(C)[NH3+])cc2)cc1 ZINC000237286072 619972741 /nfs/dbraw/zinc/97/27/41/619972741.db2.gz UBPXJEQALPWQDG-UHFFFAOYSA-N 1 0 298.386 2.716 50 0 CFAARO C[NH+]1CCC(Cc2noc([C@H](O)C3CCCCC3)n2)CC1 ZINC000067739851 620219980 /nfs/dbraw/zinc/21/99/80/620219980.db2.gz XFOOYVGPNBOEJE-OAHLLOKOSA-N 1 0 293.411 2.568 50 0 CFAARO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000174985576 624923071 /nfs/dbraw/zinc/92/30/71/624923071.db2.gz QOZNUVONWFANIW-HNNXBMFYSA-N 1 0 295.471 2.938 50 0 CFAARO Cc1nsc(NC[C@H]2CCCC[C@H]2[NH+]2CCCC2)n1 ZINC000952992111 626122718 /nfs/dbraw/zinc/12/27/18/626122718.db2.gz ASKKBTGBHZRZIV-CHWSQXEVSA-N 1 0 280.441 2.913 50 0 CFAARO Cc1nsc(NC[C@H]2CCCC[C@@H]2[NH+]2CCCC2)n1 ZINC000952992115 626122741 /nfs/dbraw/zinc/12/27/41/626122741.db2.gz ASKKBTGBHZRZIV-OLZOCXBDSA-N 1 0 280.441 2.913 50 0 CFAARO Cc1nnc2n1CC[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000011969192 626223658 /nfs/dbraw/zinc/22/36/58/626223658.db2.gz XCBBSTUFQAZDBD-UHFFFAOYSA-N 1 0 284.407 2.768 50 0 CFAARO C[NH+]1CCC(N[C@H]2COCc3cccc(Cl)c32)CC1 ZINC000798179899 630160820 /nfs/dbraw/zinc/16/08/20/630160820.db2.gz SKVWZZAASCYRHV-AWEZNQCLSA-N 1 0 280.799 2.595 50 0 CFAARO COC1([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)CCCC1 ZINC000817578404 632668778 /nfs/dbraw/zinc/66/87/78/632668778.db2.gz VOTRLEZALDDTCG-OCCSQVGLSA-N 1 0 283.437 2.893 50 0 CFAARO Fc1cccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000194000577 650712421 /nfs/dbraw/zinc/71/24/21/650712421.db2.gz ZRWAGZXRTFPXTB-CYBMUJFWSA-N 1 0 289.354 2.807 50 0 CFAARO OC[C@@H]1CCCN(CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000952967163 650790121 /nfs/dbraw/zinc/79/01/21/650790121.db2.gz JTGFHCFPZFXBCF-MRXNPFEDSA-N 1 0 298.430 2.634 50 0 CFAARO CC1(C)CC([NH2+]CC[C@@H]2CCC(=O)N2)CC(C)(C)C1 ZINC000952961781 650790193 /nfs/dbraw/zinc/79/01/93/650790193.db2.gz BHWQTXYRKVJWCO-LBPRGKRZSA-N 1 0 266.429 2.850 50 0 CFAARO COC[C@H](C)N(Cc1[nH]cnc1C)Cc1cccc(F)c1 ZINC000952984402 650791501 /nfs/dbraw/zinc/79/15/01/650791501.db2.gz UTSPMNRQBVBYCU-LBPRGKRZSA-N 1 0 291.370 2.894 50 0 CFAARO Clc1cncc(CN2CC[C@@H](c3ncccn3)C2)c1 ZINC000952995604 650793099 /nfs/dbraw/zinc/79/30/99/650793099.db2.gz RGRDJECIIABXNS-GFCCVEGCSA-N 1 0 274.755 2.515 50 0 CFAARO Cc1ncnc(N2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000091626410 650903963 /nfs/dbraw/zinc/90/39/63/650903963.db2.gz XLTQSXIZIALRKF-UHFFFAOYSA-N 1 0 274.412 2.548 50 0 CFAARO C/C(=C/C(=O)N(C)C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000125517136 647849218 /nfs/dbraw/zinc/84/92/18/647849218.db2.gz PRABRICAZIXEAV-LUAWRHEFSA-N 1 0 294.345 2.579 50 0 CFAARO CC1(C)CC(N2C(=O)c3ccccc3C2=O)CC(C)(C)[NH2+]1 ZINC000000227052 651102191 /nfs/dbraw/zinc/10/21/91/651102191.db2.gz NQORDDHOLOZOHD-UHFFFAOYSA-N 1 0 286.375 2.592 50 0 CFAARO CCOC(=O)N1CCC([NH+]2CCCCCCC2)CC1 ZINC000000757766 651113705 /nfs/dbraw/zinc/11/37/05/651113705.db2.gz WEKOPVNNUOFIIK-UHFFFAOYSA-N 1 0 268.401 2.873 50 0 CFAARO Cc1cc(C[N@H+](C)CCCc2[nH]nc3c2CCCC3)on1 ZINC000019144133 651287900 /nfs/dbraw/zinc/28/79/00/651287900.db2.gz JBUXHNPCBHKGMI-UHFFFAOYSA-N 1 0 288.395 2.650 50 0 CFAARO c1ccc2c(c1)C[C@H]([NH2+]Cc1cccc3c1OCO3)CO2 ZINC000019771246 651293303 /nfs/dbraw/zinc/29/33/03/651293303.db2.gz QNBFZWTWYZWFPL-AWEZNQCLSA-N 1 0 283.327 2.509 50 0 CFAARO CCSc1ccccc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000037767978 770281758 /nfs/dbraw/zinc/28/17/58/770281758.db2.gz KBGIQCITUXZHKV-GFCCVEGCSA-N 1 0 264.394 2.879 50 0 CFAARO Cc1nc(CO[C@H]2CCC[N@@H+](C3CCCCC3)C2)no1 ZINC000675015963 775983481 /nfs/dbraw/zinc/98/34/81/775983481.db2.gz BLKJKHXMFRVBBP-AWEZNQCLSA-N 1 0 279.384 2.692 50 0 CFAARO [NH3+]CC(=O)Nc1ccc(OCCCc2ccccc2)cc1 ZINC000032129961 778803700 /nfs/dbraw/zinc/80/37/00/778803700.db2.gz VYGAXWOTFRIDEE-UHFFFAOYSA-N 1 0 284.359 2.595 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2(C)CC2)c(C)c1 ZINC000032577535 779064863 /nfs/dbraw/zinc/06/48/63/779064863.db2.gz DJEBNHZETASRGO-LSDHHAIUSA-N 1 0 277.408 2.821 50 0 CFAARO CN(C(=O)CC[NH3+])[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000096481029 230380229 /nfs/dbraw/zinc/38/02/29/230380229.db2.gz MLXYBJMEOVSBSG-QGZVFWFLSA-N 1 0 286.350 2.722 50 0 CFAARO COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)ccc1F ZINC000096489389 230382408 /nfs/dbraw/zinc/38/24/08/230382408.db2.gz FLOAITLRNRQRGY-DMDPSCGWSA-N 1 0 267.344 2.910 50 0 CFAARO Cc1nnc(C[NH2+][C@@H](Cc2ccccc2)C(C)(C)C)n1C ZINC000096493172 230383417 /nfs/dbraw/zinc/38/34/17/230383417.db2.gz GLWTYKPCJLRRPA-HNNXBMFYSA-N 1 0 286.423 2.871 50 0 CFAARO C[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)C(N)=O ZINC000096501960 230385076 /nfs/dbraw/zinc/38/50/76/230385076.db2.gz SAEHURIHLXCQGR-LBPRGKRZSA-N 1 0 278.421 2.555 50 0 CFAARO O[C@@H](C[NH2+][C@@H]1CSCc2ccccc21)c1ccco1 ZINC000097016499 230386339 /nfs/dbraw/zinc/38/63/39/230386339.db2.gz GYACGJVDCDVJQY-KGLIPLIRSA-N 1 0 275.373 2.891 50 0 CFAARO CCn1cc(C[N@H+](C)C[C@H]2CCOc3ccccc3C2)cn1 ZINC000095507595 185000783 /nfs/dbraw/zinc/00/07/83/185000783.db2.gz WGOJKEUJXFQTOL-HNNXBMFYSA-N 1 0 299.418 2.976 50 0 CFAARO CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)c2cncs2)CC1 ZINC000095518493 185003175 /nfs/dbraw/zinc/00/31/75/185003175.db2.gz NEHTTWUFBKDTOQ-GFCCVEGCSA-N 1 0 295.452 2.783 50 0 CFAARO CC(C)=CCC[N@@H+]1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000095526861 185003416 /nfs/dbraw/zinc/00/34/16/185003416.db2.gz OVJHNMGTJVVPJH-GOSISDBHSA-N 1 0 288.435 2.521 50 0 CFAARO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC000095698514 185018534 /nfs/dbraw/zinc/01/85/34/185018534.db2.gz LVNZSMOJVQTZDJ-UHFFFAOYSA-N 1 0 284.787 2.954 50 0 CFAARO [NH2+]=C(NCc1cn2ccsc2n1)Nc1ccccc1 ZINC000095958192 185043739 /nfs/dbraw/zinc/04/37/39/185043739.db2.gz IECZHHRTWPOFQQ-UHFFFAOYSA-N 1 0 271.349 2.532 50 0 CFAARO C[C@@H]1CCC[N@H+](CCN(C)Cc2ccc(F)cc2)C1 ZINC000095962982 185044344 /nfs/dbraw/zinc/04/43/44/185044344.db2.gz GIPWJFLHFQAPOF-CQSZACIVSA-N 1 0 264.388 2.989 50 0 CFAARO COc1cccc([C@@H](O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000095967876 185046636 /nfs/dbraw/zinc/04/66/36/185046636.db2.gz IICSTOJMYOHCES-LSDHHAIUSA-N 1 0 293.407 2.664 50 0 CFAARO CC[C@@H]([NH2+]C1CCSCC1)c1c(C)nn(C)c1C ZINC000095968713 185048024 /nfs/dbraw/zinc/04/80/24/185048024.db2.gz BVUNKELQKWEKLM-CYBMUJFWSA-N 1 0 267.442 2.973 50 0 CFAARO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl ZINC000095971621 185048768 /nfs/dbraw/zinc/04/87/68/185048768.db2.gz XKKSEMQKUIUNIV-OLZOCXBDSA-N 1 0 278.783 2.615 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCSc1ccc(S(C)(=O)=O)cc1 ZINC000095975930 185050946 /nfs/dbraw/zinc/05/09/46/185050946.db2.gz GKAUAAVTEVPBJL-LBPRGKRZSA-N 1 0 299.461 2.667 50 0 CFAARO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1cc2ccccc2o1 ZINC000096013960 185066376 /nfs/dbraw/zinc/06/63/76/185066376.db2.gz UKCUFTLWSGFYOA-NWDGAFQWSA-N 1 0 295.404 2.764 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC000095982579 185053629 /nfs/dbraw/zinc/05/36/29/185053629.db2.gz COQNRXLDRBOVKO-GWKQRERASA-N 1 0 272.392 2.690 50 0 CFAARO C[C@@H]([NH2+]Cc1csc([C@H]2CCCO2)n1)C1CCOCC1 ZINC000095985377 185055126 /nfs/dbraw/zinc/05/51/26/185055126.db2.gz UHGLYDKBYHOGNG-BXUZGUMPSA-N 1 0 296.436 2.899 50 0 CFAARO COC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000095984967 185055452 /nfs/dbraw/zinc/05/54/52/185055452.db2.gz CYGMELKHHJQHRQ-DOMZBBRYSA-N 1 0 285.334 2.811 50 0 CFAARO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccncc1 ZINC000095984220 185055482 /nfs/dbraw/zinc/05/54/82/185055482.db2.gz QHOSVPSTIJCYAC-CYBMUJFWSA-N 1 0 269.348 2.679 50 0 CFAARO C[C@@H]([NH2+]CCn1ccnc1)c1cccc(N2CCCC2)c1 ZINC000095985989 185056230 /nfs/dbraw/zinc/05/62/30/185056230.db2.gz RMCVBIIIVLIVMH-OAHLLOKOSA-N 1 0 284.407 2.834 50 0 CFAARO C[N@H+](CCc1cccc2ccccc21)CC1OCCO1 ZINC000095992480 185058954 /nfs/dbraw/zinc/05/89/54/185058954.db2.gz LUHSVNVQYZWDFP-UHFFFAOYSA-N 1 0 271.360 2.687 50 0 CFAARO CC(=O)Nc1cccc(CC[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000095992881 185059247 /nfs/dbraw/zinc/05/92/47/185059247.db2.gz ZGURFUVZRUHDAO-STQMWFEESA-N 1 0 260.381 2.775 50 0 CFAARO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccccc1)CCC2 ZINC000096002705 185061804 /nfs/dbraw/zinc/06/18/04/185061804.db2.gz PEXICUFTSIJYJH-INIZCTEOSA-N 1 0 285.391 2.697 50 0 CFAARO c1csc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000096011620 185065921 /nfs/dbraw/zinc/06/59/21/185065921.db2.gz NFJSAYSDBFWNRY-CYBMUJFWSA-N 1 0 281.421 2.766 50 0 CFAARO CCC[NH+]1CCC(Cc2nc(CSC)no2)CC1 ZINC000096133326 185104327 /nfs/dbraw/zinc/10/43/27/185104327.db2.gz CMIXOOYHLMTHSA-UHFFFAOYSA-N 1 0 269.414 2.597 50 0 CFAARO Cc1n[nH]c(C)c1-c1ccccc1OCC[NH+](C)C ZINC000096133403 185105031 /nfs/dbraw/zinc/10/50/31/185105031.db2.gz KVLUAPHDORXITE-UHFFFAOYSA-N 1 0 259.353 2.634 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(O)CC2)cc1 ZINC000096996331 185149492 /nfs/dbraw/zinc/14/94/92/185149492.db2.gz JRXQNWMRHDZHDD-UHFFFAOYSA-N 1 0 285.391 2.778 50 0 CFAARO Cc1c(C[NH2+]C[C@H]2CCc3ccccc32)cnn1C ZINC000097021676 185153904 /nfs/dbraw/zinc/15/39/04/185153904.db2.gz OVFFAOBSGADYEK-CQSZACIVSA-N 1 0 255.365 2.548 50 0 CFAARO COC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000097033298 185156046 /nfs/dbraw/zinc/15/60/46/185156046.db2.gz DTKBIWAEPPDIGI-XHDPSFHLSA-N 1 0 285.334 2.669 50 0 CFAARO CCc1sc([C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O)cc1C ZINC000097033443 185156507 /nfs/dbraw/zinc/15/65/07/185156507.db2.gz VHZVODPBWVGMGD-QWRGUYRKSA-N 1 0 289.466 2.703 50 0 CFAARO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000097033966 185157257 /nfs/dbraw/zinc/15/72/57/185157257.db2.gz ZBMXNGIZQNDQRO-CQSZACIVSA-N 1 0 299.418 2.981 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCCCC[C@H]1CO ZINC000097035008 185157456 /nfs/dbraw/zinc/15/74/56/185157456.db2.gz VRUZTRZLRRUFQU-XJKSGUPXSA-N 1 0 293.455 2.576 50 0 CFAARO CC[C@H](COC)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000096478785 529399361 /nfs/dbraw/zinc/39/93/61/529399361.db2.gz LFCLLVRYLDRGOZ-UKRRQHHQSA-N 1 0 273.380 2.948 50 0 CFAARO CCOc1ncccc1CNC(=[NH2+])Nc1ccc(C)cc1 ZINC000069970452 346904696 /nfs/dbraw/zinc/90/46/96/346904696.db2.gz OJBVEAVUVGIWJX-UHFFFAOYSA-N 1 0 284.363 2.925 50 0 CFAARO CC1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000073987947 346988075 /nfs/dbraw/zinc/98/80/75/346988075.db2.gz BCWVSLNLXCNFTD-CVSAEHQPSA-N 1 0 264.413 2.508 50 0 CFAARO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc(F)c1 ZINC000075093969 347054626 /nfs/dbraw/zinc/05/46/26/347054626.db2.gz WRZXHUMGSHDMQQ-MZBDJJRSSA-N 1 0 279.355 2.582 50 0 CFAARO CCOc1ccccc1OCCOCC[NH+]1CCCC1 ZINC000075284161 347064458 /nfs/dbraw/zinc/06/44/58/347064458.db2.gz SCQAVXRFXQEMIJ-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO C[C@H](C[NH3+])CC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000299738813 539513236 /nfs/dbraw/zinc/51/32/36/539513236.db2.gz GTXYXVGVZMHMPQ-ZOWXZIJZSA-N 1 0 278.371 2.720 50 0 CFAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(C(N)=O)CC1 ZINC000000757156 346205471 /nfs/dbraw/zinc/20/54/71/346205471.db2.gz HOARYMSXLCHYIH-CYBMUJFWSA-N 1 0 252.402 2.566 50 0 CFAARO Nc1cc(N)[nH+]c(-c2ccc(Oc3ccccc3N)cc2)n1 ZINC000003108467 346207785 /nfs/dbraw/zinc/20/77/85/346207785.db2.gz QZNASLJNZKEWFZ-UHFFFAOYSA-N 1 0 293.330 2.683 50 0 CFAARO Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)no1 ZINC000008126228 346222167 /nfs/dbraw/zinc/22/21/67/346222167.db2.gz KTFUUTCURLBXHR-HNNXBMFYSA-N 1 0 299.374 2.931 50 0 CFAARO Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)no1 ZINC000008126226 346222184 /nfs/dbraw/zinc/22/21/84/346222184.db2.gz KTFUUTCURLBXHR-OAHLLOKOSA-N 1 0 299.374 2.931 50 0 CFAARO Cc1cccc(C)c1OCCCC[NH+]1CCOCC1 ZINC000019607396 346242306 /nfs/dbraw/zinc/24/23/06/346242306.db2.gz LILWJBWPSHWIHF-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078401 346248084 /nfs/dbraw/zinc/24/80/84/346248084.db2.gz HJBQVDKHMZTIHJ-NHYWBVRUSA-N 1 0 266.335 2.633 50 0 CFAARO c1cc(CN2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000022779393 346250035 /nfs/dbraw/zinc/25/00/35/346250035.db2.gz VOBMYRSFSZSFSM-UHFFFAOYSA-N 1 0 256.349 2.597 50 0 CFAARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000085334225 179022605 /nfs/dbraw/zinc/02/26/05/179022605.db2.gz HPZYSTOBOMZXPV-HKUYNNGSSA-N 1 0 290.366 2.983 50 0 CFAARO Brc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000036374723 346322501 /nfs/dbraw/zinc/32/25/01/346322501.db2.gz OUGRMRTVWUMGKX-UHFFFAOYSA-N 1 0 295.224 2.981 50 0 CFAARO CCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000060549720 346668568 /nfs/dbraw/zinc/66/85/68/346668568.db2.gz BCSDZKUFCDJDCB-UHFFFAOYSA-N 1 0 260.381 2.812 50 0 CFAARO COc1ccc(OCC[N@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000066565176 346768659 /nfs/dbraw/zinc/76/86/59/346768659.db2.gz SQZLGXOYWQNKCE-INIZCTEOSA-N 1 0 279.380 2.575 50 0 CFAARO COCC[NH+]1CCC(N[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000076046896 347116085 /nfs/dbraw/zinc/11/60/85/347116085.db2.gz FGFPZRPQOKAKQS-LBPRGKRZSA-N 1 0 298.377 2.726 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000079020795 347285486 /nfs/dbraw/zinc/28/54/86/347285486.db2.gz FRYFPIYYAUVTTP-QWHCGFSZSA-N 1 0 253.415 2.574 50 0 CFAARO Cc1cccc(CNC(=O)[C@H]2[C@@H]3C[N@H+](C4CCCC4)C[C@@H]32)c1 ZINC000102663786 185786277 /nfs/dbraw/zinc/78/62/77/185786277.db2.gz LZENUEKTXHUYIS-PIIMJCKOSA-N 1 0 298.430 2.732 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCCN(C)C2)c(Cl)c1OC ZINC000083877852 347455012 /nfs/dbraw/zinc/45/50/12/347455012.db2.gz UWDAGIAYGPSMFJ-LBPRGKRZSA-N 1 0 298.814 2.541 50 0 CFAARO CC(C)OCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000328586876 201943722 /nfs/dbraw/zinc/94/37/22/201943722.db2.gz WLYQOWUQGSSTSY-MRXNPFEDSA-N 1 0 296.455 2.526 50 0 CFAARO CC(C)OCC[NH+]1CCC(Nc2ncccc2F)CC1 ZINC000084488455 347465957 /nfs/dbraw/zinc/46/59/57/347465957.db2.gz DYGCUWKLNISGDF-UHFFFAOYSA-N 1 0 281.375 2.522 50 0 CFAARO C[C@H]([NH2+]CCSc1ccccc1)[C@@H]1CCOC1 ZINC000128560380 187377312 /nfs/dbraw/zinc/37/73/12/187377312.db2.gz ZVXRJTBOIOVCGY-QWHCGFSZSA-N 1 0 251.395 2.793 50 0 CFAARO Cn1nccc1CNc1cc[nH+]c2cc(F)ccc12 ZINC000091428154 347585172 /nfs/dbraw/zinc/58/51/72/347585172.db2.gz OITSZPUGMCTCLT-UHFFFAOYSA-N 1 0 256.284 2.720 50 0 CFAARO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000086255204 179256717 /nfs/dbraw/zinc/25/67/17/179256717.db2.gz QHIMJXBACVRNJN-KGLIPLIRSA-N 1 0 293.411 2.798 50 0 CFAARO Cc1nc(N)sc1-c1ccnc(C(C)(C)C[NH+](C)C)c1 ZINC000095629722 347698085 /nfs/dbraw/zinc/69/80/85/347698085.db2.gz CHGYTBATDGCTMW-UHFFFAOYSA-N 1 0 290.436 2.935 50 0 CFAARO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(F)cc1F ZINC000095457655 347698199 /nfs/dbraw/zinc/69/81/99/347698199.db2.gz KDWYFUNTXYPQJE-UWVGGRQHSA-N 1 0 283.322 2.521 50 0 CFAARO Oc1ccc2c(c1)[C@]13CCCC[C@@H]1CC[N@H+]3CCO2 ZINC000096027996 347700333 /nfs/dbraw/zinc/70/03/33/347700333.db2.gz QPFORCJJDFGHAV-WBMJQRKESA-N 1 0 259.349 2.876 50 0 CFAARO CCSC1=NC(=[NH2+])NC(C)(C)N1c1ccccc1 ZINC000096026616 347700581 /nfs/dbraw/zinc/70/05/81/347700581.db2.gz MOBGUKGYXFJWHG-UHFFFAOYSA-N 1 0 262.382 2.667 50 0 CFAARO CC[NH+](CC)Cc1cc(OC)c(OC)cc1NC(C)=O ZINC000096027737 347700702 /nfs/dbraw/zinc/70/07/02/347700702.db2.gz WSKQHHFVQAPPTM-UHFFFAOYSA-N 1 0 280.368 2.504 50 0 CFAARO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)c3ccncc3)C2)no1 ZINC000106910880 347733256 /nfs/dbraw/zinc/73/32/56/347733256.db2.gz BTCSETGEUFDXNL-BXUZGUMPSA-N 1 0 272.352 2.714 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000124626918 347825182 /nfs/dbraw/zinc/82/51/82/347825182.db2.gz HECOFLBZNUJJST-MNOVXSKESA-N 1 0 290.333 2.817 50 0 CFAARO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(CNC(=O)NC(C)(C)C)C1 ZINC000725255206 539587899 /nfs/dbraw/zinc/58/78/99/539587899.db2.gz WIEPZUUBMGAKNS-IAQYHMDHSA-N 1 0 269.433 2.628 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000136466149 347910213 /nfs/dbraw/zinc/91/02/13/347910213.db2.gz NGBLSBKZBFWKHH-COXVUDFISA-N 1 0 277.408 2.854 50 0 CFAARO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)CCc1ccc(O)cc1)C2 ZINC000136387069 347910298 /nfs/dbraw/zinc/91/02/98/347910298.db2.gz BTHDWDVURAJBNZ-CZUORRHYSA-N 1 0 299.418 2.823 50 0 CFAARO Cc1c(-c2ccc(F)cc2)[n+](=O)c2c(n1O)CCCC2 ZINC000136549145 347911011 /nfs/dbraw/zinc/91/10/11/347911011.db2.gz RKWYCOYQTKSGRS-UHFFFAOYSA-N 1 0 275.303 2.633 50 0 CFAARO O=S1(=O)CC[C@H]([NH2+]C2CC=CC2)c2cc(Cl)ccc21 ZINC000156353065 347993598 /nfs/dbraw/zinc/99/35/98/347993598.db2.gz CPQWMIZQDHWBLK-ZDUSSCGKSA-N 1 0 297.807 2.867 50 0 CFAARO CC(C)c1ccc([C@H]2C[C@@H]2NC(=O)C(C)(C)C[NH3+])cc1 ZINC000170048955 348053382 /nfs/dbraw/zinc/05/33/82/348053382.db2.gz DKZYOGBJDDRYLJ-CABCVRRESA-N 1 0 274.408 2.767 50 0 CFAARO c1[nH]nc2c1cccc2C[NH2+]C[C@H]1Cc2ccccc21 ZINC000170656636 348058374 /nfs/dbraw/zinc/05/83/74/348058374.db2.gz NYADOPWVFXKGQD-OAHLLOKOSA-N 1 0 263.344 2.992 50 0 CFAARO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000170669123 348058676 /nfs/dbraw/zinc/05/86/76/348058676.db2.gz VKBMUELRTGUGJH-SJORKVTESA-N 1 0 282.472 2.903 50 0 CFAARO [NH3+]CCCC(=O)Nc1ccc(Oc2ccccc2)cn1 ZINC000170678088 348059093 /nfs/dbraw/zinc/05/90/93/348059093.db2.gz PQPMVZPWCKKYSQ-UHFFFAOYSA-N 1 0 271.320 2.551 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1c[nH]nc1C ZINC000195565397 348146851 /nfs/dbraw/zinc/14/68/51/348146851.db2.gz ITIWHYFFLZQFGL-AWEZNQCLSA-N 1 0 285.391 2.936 50 0 CFAARO COc1cccc(OCC[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000195573172 348147330 /nfs/dbraw/zinc/14/73/30/348147330.db2.gz IEVQCVNYZLAGPE-BXUZGUMPSA-N 1 0 267.394 2.558 50 0 CFAARO C[C@H](CCc1cccc(F)c1)[NH2+]Cc1nnc2ccccn21 ZINC000215643148 348162958 /nfs/dbraw/zinc/16/29/58/348162958.db2.gz JFPBGSKDZKDDLP-CYBMUJFWSA-N 1 0 298.365 2.979 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC000229426603 348201873 /nfs/dbraw/zinc/20/18/73/348201873.db2.gz ZHIJIYHYIJUCJB-OAGGEKHMSA-N 1 0 276.424 2.818 50 0 CFAARO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000253370360 348300894 /nfs/dbraw/zinc/30/08/94/348300894.db2.gz PTSJXVSVXNLZIF-BYCMXARLSA-N 1 0 279.355 2.790 50 0 CFAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000253369361 348300903 /nfs/dbraw/zinc/30/09/03/348300903.db2.gz BNFVVQYIFPBQFA-XYJFISCASA-N 1 0 282.387 2.922 50 0 CFAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000253370953 348300979 /nfs/dbraw/zinc/30/09/79/348300979.db2.gz YRGYODMQTAPIKY-CORIIIEPSA-N 1 0 281.421 2.602 50 0 CFAARO COc1ccc2cc(C[NH2+][C@H](C)C(OC)OC)ccc2c1 ZINC000079605572 539648855 /nfs/dbraw/zinc/64/88/55/539648855.db2.gz KUGLRXPTYTVCMC-GFCCVEGCSA-N 1 0 289.375 2.945 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000409421152 348600301 /nfs/dbraw/zinc/60/03/01/348600301.db2.gz QAKROAJHALYKMX-QGZVFWFLSA-N 1 0 297.402 2.906 50 0 CFAARO CC(C)(C[NH2+][C@H]1CCN(c2ccccc2)C1)N1CCCC1 ZINC000584897469 348730997 /nfs/dbraw/zinc/73/09/97/348730997.db2.gz SQKJAEDBVFWFDY-INIZCTEOSA-N 1 0 287.451 2.729 50 0 CFAARO CC[NH+](CC)CC1(n2cnc3c(C)c(C)ccc3c2=O)CC1 ZINC000584901774 348732830 /nfs/dbraw/zinc/73/28/30/348732830.db2.gz MONXNYPRVUEMSK-UHFFFAOYSA-N 1 0 299.418 2.844 50 0 CFAARO CC[C@H](C[NH+](C)C)n1cnc2c(C)c(C)ccc2c1=O ZINC000584903181 348733131 /nfs/dbraw/zinc/73/31/31/348733131.db2.gz BOSWTLBBVSRRRP-CYBMUJFWSA-N 1 0 273.380 2.526 50 0 CFAARO Fc1cc(F)cc(C2([NH2+][C@H]3CN4CCC3CC4)CC2)c1 ZINC000584903814 348733486 /nfs/dbraw/zinc/73/34/86/348733486.db2.gz HHLPBJHXFPTRHH-HNNXBMFYSA-N 1 0 278.346 2.638 50 0 CFAARO COc1ccc([C@H]([NH2+]C2CCOCC2)c2ccncc2)cc1 ZINC000584904112 348733661 /nfs/dbraw/zinc/73/36/61/348733661.db2.gz GCWWFNYKEKVAPC-SFHVURJKSA-N 1 0 298.386 2.948 50 0 CFAARO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000585141174 348736954 /nfs/dbraw/zinc/73/69/54/348736954.db2.gz QQGOSDIVRMIIEX-STQMWFEESA-N 1 0 295.452 2.660 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@@H](C)CSC(C)(C)C)C1=O ZINC000089728476 179855180 /nfs/dbraw/zinc/85/51/80/179855180.db2.gz OEEBVTCXUFMGFR-RYUDHWBXSA-N 1 0 272.458 2.506 50 0 CFAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000089948945 179890831 /nfs/dbraw/zinc/89/08/31/179890831.db2.gz PKFNFGBCXMGKIT-ZBFHGGJFSA-N 1 0 292.423 2.961 50 0 CFAARO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc(F)c1 ZINC000090455771 179987883 /nfs/dbraw/zinc/98/78/83/179987883.db2.gz DGRQJPIXUXYDSN-HZMBPMFUSA-N 1 0 259.328 2.757 50 0 CFAARO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1nc2ccccc2n1C ZINC000091333875 180136660 /nfs/dbraw/zinc/13/66/60/180136660.db2.gz JSJQDTDFFWFEOE-CYBMUJFWSA-N 1 0 295.386 2.916 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2ccsc2)C1 ZINC000091270332 180117852 /nfs/dbraw/zinc/11/78/52/180117852.db2.gz WBXPQWQRQWOFDG-CYBMUJFWSA-N 1 0 292.448 2.766 50 0 CFAARO O=c1cc(C[NH2+][C@@H]2CCSC2)[nH]c2c(Cl)cccc12 ZINC000091444556 180156354 /nfs/dbraw/zinc/15/63/54/180156354.db2.gz YWWCGTCQJWVSGO-SECBINFHSA-N 1 0 294.807 2.777 50 0 CFAARO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091541241 180183675 /nfs/dbraw/zinc/18/36/75/180183675.db2.gz FKAYAWDLQGGXEY-NXEZZACHSA-N 1 0 284.762 2.565 50 0 CFAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091547408 180187662 /nfs/dbraw/zinc/18/76/62/180187662.db2.gz PZBZUIKGUJWUQW-SCVCMEIPSA-N 1 0 282.334 2.612 50 0 CFAARO CCc1nc(C)sc1C[N@@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091779641 180251508 /nfs/dbraw/zinc/25/15/08/180251508.db2.gz WBWVLCQRAATWBM-HNNXBMFYSA-N 1 0 282.453 2.997 50 0 CFAARO COCc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091855960 180274680 /nfs/dbraw/zinc/27/46/80/180274680.db2.gz BYCWYPMBQKYTDI-JKSUJKDBSA-N 1 0 293.432 2.539 50 0 CFAARO CO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000091985406 180298493 /nfs/dbraw/zinc/29/84/93/180298493.db2.gz RDJZEUDNXWYGPX-CABCVRRESA-N 1 0 295.810 2.702 50 0 CFAARO COc1cc2c(cc1C[NH2+]Cc1ccncc1)O[C@H](C)C2 ZINC000105759345 186070693 /nfs/dbraw/zinc/07/06/93/186070693.db2.gz AGCDYIFMNCVLBD-GFCCVEGCSA-N 1 0 284.359 2.703 50 0 CFAARO OC[C@H]1CCC[N@@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000092471099 180392678 /nfs/dbraw/zinc/39/26/78/180392678.db2.gz KXAFVBUQVNOQEY-QGZVFWFLSA-N 1 0 298.386 2.617 50 0 CFAARO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1OC ZINC000108327778 186210824 /nfs/dbraw/zinc/21/08/24/186210824.db2.gz FGJCFPQVYWOMOZ-DZGCQCFKSA-N 1 0 293.407 2.748 50 0 CFAARO C1CC1c1nsc(N2CCC([NH2+]C3CCCC3)CC2)n1 ZINC000080982468 539806100 /nfs/dbraw/zinc/80/61/00/539806100.db2.gz SAUAINJGHREACA-UHFFFAOYSA-N 1 0 292.452 2.917 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(C)cc2C)C1 ZINC000606442020 351270229 /nfs/dbraw/zinc/27/02/29/351270229.db2.gz YFTUVEZDXAMBFG-QWGSZXSUSA-N 1 0 286.419 2.775 50 0 CFAARO COc1ccccc1/C=C\C[NH2+][C@H]1CCCC12OCCO2 ZINC000606444610 351271448 /nfs/dbraw/zinc/27/14/48/351271448.db2.gz GMQLBMIQHBEWLW-WRLNGNIRSA-N 1 0 289.375 2.594 50 0 CFAARO Cc1noc(C)c1CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000122170141 187018823 /nfs/dbraw/zinc/01/88/23/187018823.db2.gz OQEPJQZUIAJTNH-OAGGEKHMSA-N 1 0 290.407 2.771 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(-n2cncn2)c(F)c1)c1ccccn1 ZINC000048375467 539934124 /nfs/dbraw/zinc/93/41/24/539934124.db2.gz FEENIKXVTVDOFT-LBPRGKRZSA-N 1 0 297.337 2.652 50 0 CFAARO CC(C)(CC(=O)NCC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000152773576 188042986 /nfs/dbraw/zinc/04/29/86/188042986.db2.gz GPKWHVRISZRKNH-OAHLLOKOSA-N 1 0 288.435 2.860 50 0 CFAARO COc1cccc(OCC[N@H+](C)CCC2CCOCC2)c1 ZINC000155494255 188210043 /nfs/dbraw/zinc/21/00/43/188210043.db2.gz PUGHOXGIZYVFCP-UHFFFAOYSA-N 1 0 293.407 2.823 50 0 CFAARO CCS[C@H]1CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000156132249 188244537 /nfs/dbraw/zinc/24/45/37/188244537.db2.gz KEQRRASUIVHBCO-KBPBESRZSA-N 1 0 285.453 2.936 50 0 CFAARO CCc1noc(CC)c1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000156306353 188254330 /nfs/dbraw/zinc/25/43/30/188254330.db2.gz GKLYEGGTMGRTDJ-UHFFFAOYSA-N 1 0 294.395 2.575 50 0 CFAARO C/C(=C/C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000158161201 188360206 /nfs/dbraw/zinc/36/02/06/188360206.db2.gz VECDLLZOBUNTLC-KOTGUFOOSA-N 1 0 278.783 2.693 50 0 CFAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000158811816 188395709 /nfs/dbraw/zinc/39/57/09/188395709.db2.gz JJTJGWQLHFAFAW-UKRRQHHQSA-N 1 0 292.398 2.590 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(/C)c2ccc(F)cc2)C1 ZINC000159095970 188407645 /nfs/dbraw/zinc/40/76/45/188407645.db2.gz VSDBKUJTSXBLAK-ZVHGMHCTSA-N 1 0 290.382 2.687 50 0 CFAARO FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000004593486 282925549 /nfs/dbraw/zinc/92/55/49/282925549.db2.gz QMVUFIUACWHVEH-LLVKDONJSA-N 1 0 259.271 2.974 50 0 CFAARO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)[C@@H]2CCO[C@H]21 ZINC000685939665 540020856 /nfs/dbraw/zinc/02/08/56/540020856.db2.gz FEVWOZLZEQKKFU-WUHRBBMRSA-N 1 0 267.413 2.736 50 0 CFAARO CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H](C)O)CC2)cc1 ZINC000170073302 188668974 /nfs/dbraw/zinc/66/89/74/188668974.db2.gz IWZAXRLCNBWIJF-RWBZWWBESA-N 1 0 291.435 2.911 50 0 CFAARO CO[C@]12CC[N@H+](Cc3ccc(Cl)cc3)[C@H]1C[C@@H](O)CC2 ZINC000299781384 540143717 /nfs/dbraw/zinc/14/37/17/540143717.db2.gz UXPSOPOBVNCTEA-HRCADAONSA-N 1 0 295.810 2.844 50 0 CFAARO CCc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)cc1 ZINC000083823671 540184746 /nfs/dbraw/zinc/18/47/46/540184746.db2.gz ZQPJJSLVBZHOMH-DYVFJYSZSA-N 1 0 274.408 2.596 50 0 CFAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cccs2)cn1 ZINC000083843547 540185359 /nfs/dbraw/zinc/18/53/59/540185359.db2.gz LRGLZXQWEDNZBI-IUODEOHRSA-N 1 0 291.420 2.832 50 0 CFAARO CC[C@](CO)([NH2+]Cc1scnc1C)c1ccccc1 ZINC000083469389 540180759 /nfs/dbraw/zinc/18/07/59/540180759.db2.gz AQNHFYRUUAFWBZ-OAHLLOKOSA-N 1 0 276.405 2.839 50 0 CFAARO c1ccc2oc(CCCN3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000084600363 540202624 /nfs/dbraw/zinc/20/26/24/540202624.db2.gz YDLRJPRQNSDPPE-UHFFFAOYSA-N 1 0 299.418 2.788 50 0 CFAARO CC[C@H](CCO)C[NH2+]Cc1csc(C(C)C)n1 ZINC000084733280 540207305 /nfs/dbraw/zinc/20/73/05/540207305.db2.gz FEPLPEHQODOKLU-LLVKDONJSA-N 1 0 256.415 2.765 50 0 CFAARO COc1ccc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1F ZINC000085334697 540219260 /nfs/dbraw/zinc/21/92/60/540219260.db2.gz DTXWAUPQWWWPHK-WBVHZDCISA-N 1 0 287.334 2.582 50 0 CFAARO Cc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000248124870 540258737 /nfs/dbraw/zinc/25/87/37/540258737.db2.gz ZUAHEXVYJBMJTO-XSLAGTTESA-N 1 0 298.430 2.842 50 0 CFAARO CN1C[C@]2(CCCN(c3cc[nH+]c4ccccc43)C2)OC1=O ZINC000072453826 283252538 /nfs/dbraw/zinc/25/25/38/283252538.db2.gz NQBCCQBTHGUAHB-KRWDZBQOSA-N 1 0 297.358 2.656 50 0 CFAARO NC(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000071860667 283285337 /nfs/dbraw/zinc/28/53/37/283285337.db2.gz QYHPFGCLFCSRRE-INIZCTEOSA-N 1 0 286.400 2.571 50 0 CFAARO NC(=O)C[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000096491333 283289434 /nfs/dbraw/zinc/28/94/34/283289434.db2.gz RZXCFCTWRBTSEF-OAHLLOKOSA-N 1 0 288.778 2.699 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)CC(=O)N1CCCCCC1)C1CCC1 ZINC000090856016 540381778 /nfs/dbraw/zinc/38/17/78/540381778.db2.gz ZYPUVNDMQHPHAO-UONOGXRCSA-N 1 0 266.429 2.946 50 0 CFAARO C[N@H+](CCC1(O)CCCC1)C[C@H]1CCOC(C)(C)C1 ZINC000823689955 781936530 /nfs/dbraw/zinc/93/65/30/781936530.db2.gz IARZFLNSLVPJCB-AWEZNQCLSA-N 1 0 269.429 2.819 50 0 CFAARO CNC(=O)[C@H](CC(C)C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000678940067 540520204 /nfs/dbraw/zinc/52/02/04/540520204.db2.gz GNYUZBBQKBCLHG-CJNGLKHVSA-N 1 0 292.423 2.549 50 0 CFAARO Cc1cnc(C)c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000169967999 540549890 /nfs/dbraw/zinc/54/98/90/540549890.db2.gz JQMYNXXJBURUIR-HNNXBMFYSA-N 1 0 288.370 2.947 50 0 CFAARO [NH3+]Cc1cc(C(F)(F)F)ccc1Br ZINC000037594090 283526825 /nfs/dbraw/zinc/52/68/25/283526825.db2.gz SYZGXVJQDWMJCI-UHFFFAOYSA-N 1 0 254.049 2.927 50 0 CFAARO CC[C@@H]1CCCN(C(=O)[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094750099 540723821 /nfs/dbraw/zinc/72/38/21/540723821.db2.gz OLBVEOXPMURZGK-RDBSUJKOSA-N 1 0 252.402 2.543 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000095423894 540724315 /nfs/dbraw/zinc/72/43/15/540724315.db2.gz WMASXRADIXOIQT-AWEZNQCLSA-N 1 0 252.402 2.700 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000095423710 540724440 /nfs/dbraw/zinc/72/44/40/540724440.db2.gz IBGIZIKJCKURKZ-XQQFMLRXSA-N 1 0 262.401 2.844 50 0 CFAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000095996456 540726480 /nfs/dbraw/zinc/72/64/80/540726480.db2.gz IACNNXRTEPOUFE-HZMBPMFUSA-N 1 0 280.799 2.598 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000089689241 540718809 /nfs/dbraw/zinc/71/88/09/540718809.db2.gz MAZDZRYBPOFSBI-SZMVWBNQSA-N 1 0 298.430 2.795 50 0 CFAARO CCOCc1cccc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000252484064 540745814 /nfs/dbraw/zinc/74/58/14/540745814.db2.gz FNJWJLRCEIWMIQ-IUODEOHRSA-N 1 0 276.380 2.502 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000178492259 189120395 /nfs/dbraw/zinc/12/03/95/189120395.db2.gz ZWDVEAPJHFAIDS-CQSZACIVSA-N 1 0 283.375 2.635 50 0 CFAARO [NH3+][C@@H]1CCN(C(=O)c2ccccc2OC2CCCCC2)C1 ZINC000299738731 200850591 /nfs/dbraw/zinc/85/05/91/200850591.db2.gz FSBDFSKPEQYASJ-CYBMUJFWSA-N 1 0 288.391 2.571 50 0 CFAARO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)[C@H]1C[NH3+] ZINC000299741479 200852702 /nfs/dbraw/zinc/85/27/02/200852702.db2.gz FEKWLICUHGASAC-MPESAESLSA-N 1 0 290.382 2.515 50 0 CFAARO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180285478 189248541 /nfs/dbraw/zinc/24/85/41/189248541.db2.gz ZLCDMMUNBFIZSD-CQSZACIVSA-N 1 0 288.370 2.638 50 0 CFAARO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000261603068 540981091 /nfs/dbraw/zinc/98/10/91/540981091.db2.gz CFZTYPSIRCTDBD-CYBMUJFWSA-N 1 0 290.363 2.652 50 0 CFAARO Cc1cccc(Cl)c1OCC[N@@H+]1CCC[C@H](O)CC1 ZINC000670443127 540996914 /nfs/dbraw/zinc/99/69/14/540996914.db2.gz PEKUDOBGJLFQFI-ZDUSSCGKSA-N 1 0 283.799 2.874 50 0 CFAARO Cc1cccc(Cl)c1OCC[N@@H+](C)CC1(C)COC1 ZINC000670445297 540997449 /nfs/dbraw/zinc/99/74/49/540997449.db2.gz QULLNFIYMKFUQW-UHFFFAOYSA-N 1 0 283.799 2.996 50 0 CFAARO CCC[C@@]1(CO)CCC[N@H+](CCCn2cccc2)C1 ZINC000670454389 541000130 /nfs/dbraw/zinc/00/01/30/541000130.db2.gz GRNQAJQJFDDPNQ-MRXNPFEDSA-N 1 0 264.413 2.753 50 0 CFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2[nH]1 ZINC000670452606 541000469 /nfs/dbraw/zinc/00/04/69/541000469.db2.gz OAIHAQSTWPFWME-ITGUQSILSA-N 1 0 271.364 2.705 50 0 CFAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000299740451 540984668 /nfs/dbraw/zinc/98/46/68/540984668.db2.gz ZZCCDGAYMGUORZ-HZMBPMFUSA-N 1 0 284.762 2.561 50 0 CFAARO COCCC1CC[NH+](C2CSCCSC2)CC1 ZINC000670461669 541003074 /nfs/dbraw/zinc/00/30/74/541003074.db2.gz NAHHHMOQIVKGKZ-UHFFFAOYSA-N 1 0 275.483 2.584 50 0 CFAARO c1cc([C@H]2CCC[N@H+](C3CSCCSC3)C2)ncn1 ZINC000670462960 541004829 /nfs/dbraw/zinc/00/48/29/541004829.db2.gz NUEJMICUHZHJME-LBPRGKRZSA-N 1 0 295.477 2.505 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]CCn1cnc(C)c1C)CC2 ZINC000670471961 541010474 /nfs/dbraw/zinc/01/04/74/541010474.db2.gz VMFOGIRNDKWHIB-QGZVFWFLSA-N 1 0 299.418 2.656 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC2(CCCC2)C1 ZINC000823778687 781937535 /nfs/dbraw/zinc/93/75/35/781937535.db2.gz YIVLMYXWFGHEOY-CQSZACIVSA-N 1 0 264.413 2.654 50 0 CFAARO Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCn1ccnc1 ZINC000181917028 189310404 /nfs/dbraw/zinc/31/04/04/189310404.db2.gz OGKXMEYUDPBIIB-AWEZNQCLSA-N 1 0 275.327 2.526 50 0 CFAARO Cc1nc(C[NH2+][C@H](CCO)C(C)(C)C)sc1C ZINC000183681307 189365578 /nfs/dbraw/zinc/36/55/78/189365578.db2.gz RCEDIJAHJSRQTK-LLVKDONJSA-N 1 0 256.415 2.647 50 0 CFAARO Clc1ccc([C@@H]2OCC[C@@H]2[NH2+]CCn2cccn2)cc1 ZINC000192022848 189611848 /nfs/dbraw/zinc/61/18/48/189611848.db2.gz HIFJTVYTCXEWFO-GJZGRUSLSA-N 1 0 291.782 2.656 50 0 CFAARO CCCO[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000216510192 189705355 /nfs/dbraw/zinc/70/53/55/189705355.db2.gz FPVLMXVJTXYFEX-ZDUSSCGKSA-N 1 0 275.352 2.614 50 0 CFAARO Cc1nccn1C[C@@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000225596718 189759161 /nfs/dbraw/zinc/75/91/61/189759161.db2.gz FINUWYXOKNQRQD-HNNXBMFYSA-N 1 0 256.353 2.564 50 0 CFAARO CC(C)CC[C@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000002638545 169817126 /nfs/dbraw/zinc/81/71/26/169817126.db2.gz JQQDZROAGUYIFI-UONOGXRCSA-N 1 0 269.385 2.571 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)c1cnccn1)[C@@H](c1ccccc1)N(C)C ZINC000186321669 296151964 /nfs/dbraw/zinc/15/19/64/296151964.db2.gz RMXAWDIIWJKAFG-VBQJREDUSA-N 1 0 284.407 2.819 50 0 CFAARO C[NH+](C)Cc1c[nH]c2ccc(Br)cc12 ZINC000000057218 371518899 /nfs/dbraw/zinc/51/88/99/371518899.db2.gz FSERHDPEOFYMMK-UHFFFAOYSA-N 1 0 253.143 2.992 50 0 CFAARO Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1 ZINC000000069457 371521523 /nfs/dbraw/zinc/52/15/23/371521523.db2.gz WUZSHWPKXOJSKX-UHFFFAOYSA-N 1 0 281.363 2.893 50 0 CFAARO CC1(C)CC(NC(=O)NC2CCCCC2)CC(C)(C)[NH2+]1 ZINC000000094466 371528094 /nfs/dbraw/zinc/52/80/94/371528094.db2.gz ROQXTAUUWSZSGL-UHFFFAOYSA-N 1 0 281.444 2.928 50 0 CFAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2scc3c2CCCC3)C1 ZINC000000104174 371531359 /nfs/dbraw/zinc/53/13/59/371531359.db2.gz RHIXRBZSWUWWFN-CYBMUJFWSA-N 1 0 292.448 2.841 50 0 CFAARO Cc1[nH]c2c(cccc2Br)c1CC[NH3+] ZINC000000127719 371537182 /nfs/dbraw/zinc/53/71/82/371537182.db2.gz UDZZXIFQOYNIOL-UHFFFAOYSA-N 1 0 253.143 2.740 50 0 CFAARO COc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000000176596 371549340 /nfs/dbraw/zinc/54/93/40/371549340.db2.gz VINDQQPTKXLUTB-UHFFFAOYSA-N 1 0 262.353 2.510 50 0 CFAARO COc1ccccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000178502 371551952 /nfs/dbraw/zinc/55/19/52/371551952.db2.gz VRXQZHMDWSNICM-UHFFFAOYSA-N 1 0 290.407 2.734 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c(OC)c1 ZINC000000234773 371562176 /nfs/dbraw/zinc/56/21/76/371562176.db2.gz HKAXPSOXPITRAT-HYVNUMGLSA-N 1 0 291.391 2.660 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C)C1 ZINC000000236555 371564223 /nfs/dbraw/zinc/56/42/23/371564223.db2.gz IJNGKRXGASMSBI-OAHLLOKOSA-N 1 0 261.365 2.770 50 0 CFAARO CC1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000000240345 371566539 /nfs/dbraw/zinc/56/65/39/371566539.db2.gz SPPDMQRTUGLVJJ-INIZCTEOSA-N 1 0 297.826 2.949 50 0 CFAARO CCC[NH+]1CCC(NCc2ccc(F)cc2)CC1 ZINC000000248238 371567700 /nfs/dbraw/zinc/56/77/00/371567700.db2.gz AIYRXRFTMFTKOD-UHFFFAOYSA-N 1 0 250.361 2.790 50 0 CFAARO COc1ccc(CC(=O)O[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000000250431 371570231 /nfs/dbraw/zinc/57/02/31/371570231.db2.gz VQXJELAYBFYCMM-AWEZNQCLSA-N 1 0 291.391 2.655 50 0 CFAARO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000275598 371574679 /nfs/dbraw/zinc/57/46/79/371574679.db2.gz GUZQXEQOOYBPGT-UHFFFAOYSA-N 1 0 271.316 2.714 50 0 CFAARO C[C@@H](O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)O ZINC000000278704 371576120 /nfs/dbraw/zinc/57/61/20/371576120.db2.gz XQRYACUWNGPPFZ-AOOOYVTPSA-N 1 0 292.206 2.557 50 0 CFAARO NNc1nc(N)c2c([nH+]1)-c1ccccc1CC21CCCCC1 ZINC000000289528 371579148 /nfs/dbraw/zinc/57/91/48/371579148.db2.gz CAMZIDFZPMGNPS-UHFFFAOYSA-N 1 0 295.390 2.769 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccccc2OCC)C1 ZINC000000293834 371579329 /nfs/dbraw/zinc/57/93/29/371579329.db2.gz YXRQVCSWIFZRRC-HNNXBMFYSA-N 1 0 291.391 2.860 50 0 CFAARO C([NH2+]C1CCCCC1)[C@@H]1COC2(CCCCC2)O1 ZINC000000302208 371583530 /nfs/dbraw/zinc/58/35/30/371583530.db2.gz GJGSIGRCYMXIDK-CQSZACIVSA-N 1 0 253.386 2.985 50 0 CFAARO O=C(c1ccncc1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000000317073 371586252 /nfs/dbraw/zinc/58/62/52/371586252.db2.gz LSEFPVUFQDMVPS-UHFFFAOYSA-N 1 0 287.407 2.562 50 0 CFAARO C[C@@H](C[NH+]1CCCC1)OC(=O)Cc1ccc(Cl)cc1 ZINC000000383086 371600226 /nfs/dbraw/zinc/60/02/26/371600226.db2.gz BCZPULZQYMXJKH-LBPRGKRZSA-N 1 0 281.783 2.910 50 0 CFAARO CC[n+]1ccc(/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000000410144 371608106 /nfs/dbraw/zinc/60/81/06/371608106.db2.gz RJHOHJDVJVDNJO-ONEGZZNKSA-N 1 0 254.309 2.893 50 0 CFAARO C[C@@H](C[NH+](C)C)OC(=O)C1(c2ccccc2)CCCC1 ZINC000000477668 371625922 /nfs/dbraw/zinc/62/59/22/371625922.db2.gz CQZRECNOBACPCS-AWEZNQCLSA-N 1 0 275.392 2.992 50 0 CFAARO COc1cc(NC(=O)[C@@H]([NH3+])C(C)C)cc2ccccc21 ZINC000002572097 371738646 /nfs/dbraw/zinc/73/86/46/371738646.db2.gz GRDPQPREOTZYRW-HNNXBMFYSA-N 1 0 272.348 2.770 50 0 CFAARO O=C1c2ccccc2CC[C@H]1C[NH2+]CCc1ccc(O)cc1 ZINC000002011294 371711932 /nfs/dbraw/zinc/71/19/32/371711932.db2.gz PZZOEXPDTYIBPI-INIZCTEOSA-N 1 0 295.382 2.970 50 0 in-vitro CFAARO COc1ccc(C[C@@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000002041915 371713002 /nfs/dbraw/zinc/71/30/02/371713002.db2.gz HKSKSPMTGBSDOR-MRXNPFEDSA-N 1 0 257.333 2.946 50 0 in-vitro CFAARO CC[NH+](CC)C[C@H](C)OC(=O)c1ccccc1OC ZINC000002180642 371718597 /nfs/dbraw/zinc/71/85/97/371718597.db2.gz JEIXOKIFTKWIFZ-LBPRGKRZSA-N 1 0 265.353 2.582 50 0 CFAARO CC(C)(C)C1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000002466150 371727959 /nfs/dbraw/zinc/72/79/59/371727959.db2.gz RQBQCTFYZVCVHZ-UHFFFAOYSA-N 1 0 282.472 2.903 50 0 CFAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000001593751 371684775 /nfs/dbraw/zinc/68/47/75/371684775.db2.gz ZOLSBNMKZYHYDL-QGZVFWFLSA-N 1 0 253.345 2.778 50 0 CFAARO COc1cc2cccnc2c(NCCC[C@@H](C)[NH3+])c1 ZINC000001682298 371697040 /nfs/dbraw/zinc/69/70/40/371697040.db2.gz NBAFIBBHADOTMU-LLVKDONJSA-N 1 0 259.353 2.783 50 0 in-man CFAARO COc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000002786420 371755333 /nfs/dbraw/zinc/75/53/33/371755333.db2.gz NPWOPBYUPYPRGK-UHFFFAOYSA-N 1 0 262.353 2.510 50 0 CFAARO CCc1cc(OCCOCC[NH+](C)C)ccc1Cl ZINC000002821855 371757170 /nfs/dbraw/zinc/75/71/70/371757170.db2.gz VQUBYZSQEMVWGI-UHFFFAOYSA-N 1 0 271.788 2.859 50 0 CFAARO Cc1ccc(NC(=S)NCC[NH+]2CCCCC2)cc1 ZINC000002872741 371761751 /nfs/dbraw/zinc/76/17/51/371761751.db2.gz LMCJUKCCUALYHU-UHFFFAOYSA-N 1 0 277.437 2.767 50 0 CFAARO CC[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000002902584 371762974 /nfs/dbraw/zinc/76/29/74/371762974.db2.gz LFPLUFNWUHNNLM-UHFFFAOYSA-N 1 0 274.158 2.576 50 0 CFAARO Cc1ccc(C(C)(C)C)c(OCCC[NH2+]CCO)c1 ZINC000003003884 371768902 /nfs/dbraw/zinc/76/89/02/371768902.db2.gz FGHDJWIVHYWMLF-UHFFFAOYSA-N 1 0 265.397 2.643 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1 ZINC000003121260 371774683 /nfs/dbraw/zinc/77/46/83/371774683.db2.gz FEWAVADKNUBHTQ-MRXNPFEDSA-N 1 0 271.360 2.525 50 0 CFAARO CC(C)(C)OC(=O)Cc1[nH]c2ccccc2c1CC[NH3+] ZINC000002599315 371741068 /nfs/dbraw/zinc/74/10/68/371741068.db2.gz VSRGCUTZMGLYOA-UHFFFAOYSA-N 1 0 274.364 2.553 50 0 CFAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000004031344 371829617 /nfs/dbraw/zinc/82/96/17/371829617.db2.gz JMEOWFDQSWXKOY-UGFHNGPFSA-N 1 0 267.319 2.921 50 0 CFAARO CC1(C)C[C@@](O)(C[NH2+]Cc2ccc(Cl)cc2)CCO1 ZINC000004120584 371833710 /nfs/dbraw/zinc/83/37/10/371833710.db2.gz SEAUHHVCXGHYMG-OAHLLOKOSA-N 1 0 283.799 2.750 50 0 CFAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000003564657 371810454 /nfs/dbraw/zinc/81/04/54/371810454.db2.gz GYFVKUMAGMSRMA-ZDUSSCGKSA-N 1 0 260.381 2.974 50 0 CFAARO Cc1ccc(OC[C@H](O)[C@@H](C)[NH2+]C(C)C)c2c1CCC2 ZINC000003872880 371819865 /nfs/dbraw/zinc/81/98/65/371819865.db2.gz VFIDUCMKNJIJTO-CJNGLKHVSA-N 1 0 277.408 2.610 50 0 in-vitro CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000003865233 371820184 /nfs/dbraw/zinc/82/01/84/371820184.db2.gz MELSFIGZWVYXNU-GOEBONIOSA-N 1 0 277.408 2.775 50 0 CFAARO COc1ccccc1C(=O)O[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000003901934 371824315 /nfs/dbraw/zinc/82/43/15/371824315.db2.gz KTZCSPSWFXRDPE-JMSVASOKSA-N 1 0 277.364 2.581 50 0 CFAARO Cn1c2ccc(N)cc2[nH+]c1CCc1ccccc1 ZINC000004243975 371843747 /nfs/dbraw/zinc/84/37/47/371843747.db2.gz CHJQTXXCCOYJJZ-UHFFFAOYSA-N 1 0 251.333 2.941 50 0 CFAARO CCC[NH+](CCC)C[C@H](O)COc1ccccc1C(C)=O ZINC000004320470 371849040 /nfs/dbraw/zinc/84/90/40/371849040.db2.gz APHQCFMADGDLFK-HNNXBMFYSA-N 1 0 293.407 2.751 50 0 CFAARO O=C(NCC[NH2+]Cc1ccccc1Cl)c1cccs1 ZINC000004498089 371858700 /nfs/dbraw/zinc/85/87/00/371858700.db2.gz KCTGRSBIFITJOV-UHFFFAOYSA-N 1 0 294.807 2.921 50 0 CFAARO CCOc1cc(C[NH2+]C)cc(Br)c1OCC ZINC000004657517 371869460 /nfs/dbraw/zinc/86/94/60/371869460.db2.gz ZNRYAVJOBMDUKR-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO CCc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000004741621 371873369 /nfs/dbraw/zinc/87/33/69/371873369.db2.gz NECLLPGGFZTLRT-OAHLLOKOSA-N 1 0 291.358 2.886 50 0 CFAARO C[NH2+]C[C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000004827688 371876427 /nfs/dbraw/zinc/87/64/27/371876427.db2.gz XCQVPSPPDUSQOL-AWEZNQCLSA-N 1 0 255.361 2.778 50 0 CFAARO COc1cccc2c1OC[C@H]([NH2+]CC1CCCC1)C2 ZINC000011874115 371934715 /nfs/dbraw/zinc/93/47/15/371934715.db2.gz SAFKHKYUAQLTIB-CQSZACIVSA-N 1 0 261.365 2.779 50 0 CFAARO CC(C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010371474 371905611 /nfs/dbraw/zinc/90/56/11/371905611.db2.gz AMRMXHXRZGPABP-UHFFFAOYSA-N 1 0 260.381 2.811 50 0 CFAARO COc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540217 371909840 /nfs/dbraw/zinc/90/98/40/371909840.db2.gz BXJLWNASMJTMND-UHFFFAOYSA-N 1 0 290.407 2.547 50 0 CFAARO Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000010540214 371910486 /nfs/dbraw/zinc/91/04/86/371910486.db2.gz ZFHQYKQWDRDIAC-UHFFFAOYSA-N 1 0 274.408 2.847 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000012382543 371957255 /nfs/dbraw/zinc/95/72/55/371957255.db2.gz OTQGLDHSAXRTQK-UHFFFAOYSA-N 1 0 280.799 2.943 50 0 CFAARO CSCC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012387227 371959127 /nfs/dbraw/zinc/95/91/27/371959127.db2.gz IVDMQOPPHOTIDM-CYBMUJFWSA-N 1 0 284.469 2.653 50 0 CFAARO C/C=C(\C)C[NH2+][C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000012470460 371964434 /nfs/dbraw/zinc/96/44/34/371964434.db2.gz RYEBLKYZVGGGER-JORANLSZSA-N 1 0 290.382 2.525 50 0 CFAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](C/C=C/C(C)C)C1 ZINC000012467096 371965010 /nfs/dbraw/zinc/96/50/10/371965010.db2.gz FVJKUTXXNMJBAM-DBWMJRBXSA-N 1 0 297.439 2.880 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000013148566 372016409 /nfs/dbraw/zinc/01/64/09/372016409.db2.gz KXDGCQBVVILKGW-GXTWGEPZSA-N 1 0 283.799 2.954 50 0 CFAARO CCOc1ccc(C[NH2+]CCCOC)cc1OCC ZINC000013718070 372042712 /nfs/dbraw/zinc/04/27/12/372042712.db2.gz ZZMGVQVSCSANEE-UHFFFAOYSA-N 1 0 267.369 2.610 50 0 CFAARO CCOc1ccc(C[NH2+]CCCOC)cc1Cl ZINC000013718371 372044110 /nfs/dbraw/zinc/04/41/10/372044110.db2.gz XTIRIAOJBWKWIO-UHFFFAOYSA-N 1 0 257.761 2.865 50 0 CFAARO COc1cc(C[NH2+]CCCOC(C)C)cc(OC)c1OC ZINC000013721871 372045177 /nfs/dbraw/zinc/04/51/77/372045177.db2.gz FVLVANORNKPNGB-UHFFFAOYSA-N 1 0 297.395 2.617 50 0 CFAARO Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C)CC1 ZINC000016580456 372111814 /nfs/dbraw/zinc/11/18/14/372111814.db2.gz OYVYWVCICRZFTR-UHFFFAOYSA-N 1 0 272.348 2.565 50 0 CFAARO CC(C)Oc1cccc(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000016603114 372111921 /nfs/dbraw/zinc/11/19/21/372111921.db2.gz PSEKHLXRSISLIC-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO C[NH+](C)CCNC(=O)c1cc2c(s1)CCCCCC2 ZINC000016605486 372113608 /nfs/dbraw/zinc/11/36/08/372113608.db2.gz IPPAAFFFDWUNEC-UHFFFAOYSA-N 1 0 280.437 2.699 50 0 CFAARO FC(F)(F)Oc1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000014631359 372072751 /nfs/dbraw/zinc/07/27/51/372072751.db2.gz XHKVFZOTDRJDNB-JTQLQIEISA-N 1 0 275.270 2.964 50 0 CFAARO CC[NH2+]CC[C@@H]1CCC(=O)N1CCc1ccccc1Cl ZINC000014970941 372076333 /nfs/dbraw/zinc/07/63/33/372076333.db2.gz IHUXHIFPOFOXGZ-AWEZNQCLSA-N 1 0 294.826 2.873 50 0 CFAARO [NH3+]C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000015423796 372083479 /nfs/dbraw/zinc/08/34/79/372083479.db2.gz IONRLOMCVXWXIJ-UHFFFAOYSA-N 1 0 258.287 2.629 50 0 CFAARO COC(=O)C[C@H]([NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000015440702 372085585 /nfs/dbraw/zinc/08/55/85/372085585.db2.gz ILCMUDOUJORZIK-INIZCTEOSA-N 1 0 285.343 2.829 50 0 CFAARO CCc1ccc(NC(=O)Cn2c(N)[nH+]c3ccccc32)cc1 ZINC000015979166 372096461 /nfs/dbraw/zinc/09/64/61/372096461.db2.gz LKFXWGPTPQJUBV-UHFFFAOYSA-N 1 0 294.358 2.820 50 0 CFAARO Cc1cccc(OCCN2CCC([NH+]3CCCC3)CC2)c1 ZINC000019144483 372149355 /nfs/dbraw/zinc/14/93/55/372149355.db2.gz LGQBMGVUTMAOBP-UHFFFAOYSA-N 1 0 288.435 2.934 50 0 CFAARO c1ccc(CN2CC[NH+](C3CCCCCC3)CC2)nc1 ZINC000019401817 372160079 /nfs/dbraw/zinc/16/00/79/372160079.db2.gz BBJJQVJEHBVIEN-UHFFFAOYSA-N 1 0 273.424 2.922 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000019499939 372169562 /nfs/dbraw/zinc/16/95/62/372169562.db2.gz PYBWXVCPXYOFRH-CYBMUJFWSA-N 1 0 250.361 2.742 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC000019499941 372170257 /nfs/dbraw/zinc/17/02/57/372170257.db2.gz YQZVAOGNUPXXQN-CQSZACIVSA-N 1 0 262.397 2.611 50 0 CFAARO CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019537596 372173545 /nfs/dbraw/zinc/17/35/45/372173545.db2.gz SDTXULOATAPLFY-UHFFFAOYSA-N 1 0 272.314 2.843 50 0 CFAARO CSc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019574067 372174632 /nfs/dbraw/zinc/17/46/32/372174632.db2.gz ZINMQQDEGZXEHA-HNNXBMFYSA-N 1 0 262.422 2.592 50 0 CFAARO Cc1ccccc1OCCCCC[NH+]1CCOCC1 ZINC000019595476 372175927 /nfs/dbraw/zinc/17/59/27/372175927.db2.gz HSPDPRQRZJHENW-UHFFFAOYSA-N 1 0 263.381 2.876 50 0 CFAARO CN(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000019606515 372176392 /nfs/dbraw/zinc/17/63/92/372176392.db2.gz CEAMXUSRHDVQBW-UHFFFAOYSA-N 1 0 260.303 2.699 50 0 CFAARO CN(CC[NH+](C)C)Cc1cccc(Cl)c1Cl ZINC000019607019 372176852 /nfs/dbraw/zinc/17/68/52/372176852.db2.gz YWWQGODSAXXIFY-UHFFFAOYSA-N 1 0 261.196 2.987 50 0 CFAARO CN(CC[NH+](C)C)Cc1ccc(F)c(Br)c1 ZINC000019606997 372176865 /nfs/dbraw/zinc/17/68/65/372176865.db2.gz BWMXLZXVDNEWPX-UHFFFAOYSA-N 1 0 289.192 2.582 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000019960343 372216526 /nfs/dbraw/zinc/21/65/26/372216526.db2.gz DRVBCMIKNHMZNH-GOEBONIOSA-N 1 0 276.424 2.787 50 0 CFAARO Cc1ccc([C@@H]([NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000019971353 372217594 /nfs/dbraw/zinc/21/75/94/372217594.db2.gz LYPSECGRLXHVEJ-INIZCTEOSA-N 1 0 289.400 2.755 50 0 CFAARO Cc1ccccc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019781621 372186307 /nfs/dbraw/zinc/18/63/07/372186307.db2.gz FKVFSKRYHZIJNA-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO c1cn(CC[C@H]2CCCC[N@@H+]2Cc2[nH]nc3c2CCC3)cn1 ZINC000019792495 372187588 /nfs/dbraw/zinc/18/75/88/372187588.db2.gz HLAANPUVHKRVHS-CQSZACIVSA-N 1 0 299.422 2.540 50 0 CFAARO CN1CC[NH+]([C@H]2c3ccccc3COc3ccccc32)CC1 ZINC000019801862 372189970 /nfs/dbraw/zinc/18/99/70/372189970.db2.gz JEVVLGHVJYXQPQ-IBGZPJMESA-N 1 0 294.398 2.916 50 0 CFAARO COc1cc(C[NH2+][C@H]2COc3ccccc3C2)ccc1F ZINC000019842183 372197609 /nfs/dbraw/zinc/19/76/09/372197609.db2.gz DMDPMFPSVJGRBG-CQSZACIVSA-N 1 0 287.334 2.928 50 0 CFAARO [NH3+]CCN[C@@H](c1ccccc1)c1ccc(F)cc1F ZINC000022917529 372248632 /nfs/dbraw/zinc/24/86/32/372248632.db2.gz ONJDXVOXFYLMBZ-HNNXBMFYSA-N 1 0 262.303 2.603 50 0 CFAARO c1nc(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c[nH]1 ZINC000022918459 372248637 /nfs/dbraw/zinc/24/86/37/372248637.db2.gz PHWOIBWHLNICRZ-OAHLLOKOSA-N 1 0 276.428 2.544 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(SC)cc1 ZINC000022935928 372249074 /nfs/dbraw/zinc/24/90/74/372249074.db2.gz JNQOWQSPUFWFHF-AWEZNQCLSA-N 1 0 264.438 2.982 50 0 CFAARO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)c2ccccc12 ZINC000023281105 372256152 /nfs/dbraw/zinc/25/61/52/372256152.db2.gz ZZNVDJAZOJWNTO-UHFFFAOYSA-N 1 0 298.386 2.546 50 0 CFAARO c1c[nH]c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000023409440 372257795 /nfs/dbraw/zinc/25/77/95/372257795.db2.gz IXRZUHFLPHVHAS-UHFFFAOYSA-N 1 0 269.392 2.769 50 0 CFAARO COc1ccc(C[C@H](C)[NH+]2CCSCC2)cc1OC ZINC000023282583 372258893 /nfs/dbraw/zinc/25/88/93/372258893.db2.gz LXMGNIOMQUZFBD-LBPRGKRZSA-N 1 0 281.421 2.684 50 0 CFAARO COc1ccccc1C[NH2+]C1Cc2ccccc2C1 ZINC000023282824 372259123 /nfs/dbraw/zinc/25/91/23/372259123.db2.gz LYSAOPJZPTYNQY-UHFFFAOYSA-N 1 0 253.345 2.952 50 0 CFAARO Oc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000025607405 372304727 /nfs/dbraw/zinc/30/47/27/372304727.db2.gz AGDPSYPPGBDUIX-QGZVFWFLSA-N 1 0 282.387 2.756 50 0 CFAARO CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]CCN(C)C ZINC000025763856 372307024 /nfs/dbraw/zinc/30/70/24/372307024.db2.gz YRYHZTDMVWWJPM-KBPBESRZSA-N 1 0 291.439 2.678 50 0 CFAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000025949806 372310016 /nfs/dbraw/zinc/31/00/16/372310016.db2.gz ZIZGAGKXFZKNOH-KRWDZBQOSA-N 1 0 295.386 2.727 50 0 CFAARO NC(=O)[C@@H]([NH2+]CCCCc1ccccc1)c1ccccc1 ZINC000026225670 372315661 /nfs/dbraw/zinc/31/56/61/372315661.db2.gz XQXHAWHLJPEDBX-KRWDZBQOSA-N 1 0 282.387 2.826 50 0 CFAARO COc1ccc(C)c2sc(NCCC[NH+](C)C)nc21 ZINC000026424057 372319232 /nfs/dbraw/zinc/31/92/32/372319232.db2.gz OBISERFKZQJZAV-UHFFFAOYSA-N 1 0 279.409 2.977 50 0 CFAARO C[C@@H]([N@H+](C)Cc1cc(=O)n2ccccc2n1)C(C)(C)C ZINC000027135910 372335453 /nfs/dbraw/zinc/33/54/53/372335453.db2.gz JHSZWRDTJSJBSP-GFCCVEGCSA-N 1 0 273.380 2.561 50 0 CFAARO C[C@H]([NH2+]Cc1ccsc1)c1ccc2c(c1)NC(=O)CO2 ZINC000027221318 372337454 /nfs/dbraw/zinc/33/74/54/372337454.db2.gz NZYLCUYORJNDOH-JTQLQIEISA-N 1 0 288.372 2.930 50 0 CFAARO C[C@@H](C1CC1)[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000029725694 372384447 /nfs/dbraw/zinc/38/44/47/372384447.db2.gz AVNRKEIEMXBCJH-NSHDSACASA-N 1 0 258.365 2.548 50 0 CFAARO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccco2)CC1 ZINC000030823005 372398348 /nfs/dbraw/zinc/39/83/48/372398348.db2.gz RDQOPXDJOXNYMC-UHFFFAOYSA-N 1 0 280.368 2.769 50 0 CFAARO Cn1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000031620580 372414417 /nfs/dbraw/zinc/41/44/17/372414417.db2.gz FTHMUVONHUMXSJ-UHFFFAOYSA-N 1 0 298.390 2.658 50 0 CFAARO O=C(NCCc1[nH+]cc2ccccn21)c1ccccc1Cl ZINC000031773134 372417447 /nfs/dbraw/zinc/41/74/47/372417447.db2.gz OVMVTIBPRFHXFA-UHFFFAOYSA-N 1 0 299.761 2.960 50 0 CFAARO Brc1ccc(COCC2CC[NH2+]CC2)cc1 ZINC000028522010 372365835 /nfs/dbraw/zinc/36/58/35/372365835.db2.gz ZUCHZPBIEGAEGG-UHFFFAOYSA-N 1 0 284.197 2.965 50 0 CFAARO CCc1cc(C(=O)N(C)C2CC[NH+](C)CC2)sc1C ZINC000033019467 372480864 /nfs/dbraw/zinc/48/08/64/372480864.db2.gz FFYNPNTYDUMCMZ-UHFFFAOYSA-N 1 0 280.437 2.785 50 0 CFAARO Fc1ccccc1CN1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000032498389 372441449 /nfs/dbraw/zinc/44/14/49/372441449.db2.gz FULPGXYCFNVAGN-HNNXBMFYSA-N 1 0 262.372 2.790 50 0 CFAARO C[N@@H+]1CC[C@@H](c2nc(CCCc3ccccc3)no2)C1 ZINC000032500606 372441560 /nfs/dbraw/zinc/44/15/60/372441560.db2.gz PNABFEJJPYBPHV-CQSZACIVSA-N 1 0 271.364 2.664 50 0 CFAARO CC[N@@H+]1CCC[C@@H](c2nnc3c(C(F)(F)F)cccn32)C1 ZINC000032561070 372445103 /nfs/dbraw/zinc/44/51/03/372445103.db2.gz KMHSCZZWZDNBJR-SNVBAGLBSA-N 1 0 298.312 2.947 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000032679664 372453247 /nfs/dbraw/zinc/45/32/47/372453247.db2.gz RQNQAAUQZLYTAY-UHFFFAOYSA-N 1 0 256.296 2.682 50 0 CFAARO CCc1sc(C(=O)N(C)C2CC[NH+](C)CC2)cc1C ZINC000032721842 372455967 /nfs/dbraw/zinc/45/59/67/372455967.db2.gz QXDUJWAYKOLFII-UHFFFAOYSA-N 1 0 280.437 2.785 50 0 CFAARO CC[N@H+](Cc1ccccc1)Cc1cc(=O)n2ccsc2n1 ZINC000033068885 372482770 /nfs/dbraw/zinc/48/27/70/372482770.db2.gz CRPKZAADZRWQPV-UHFFFAOYSA-N 1 0 299.399 2.778 50 0 CFAARO Cc1ccc(COC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000035075005 372535133 /nfs/dbraw/zinc/53/51/33/372535133.db2.gz CTVNKDWSXDCUMW-JZXOWHBKSA-N 1 0 291.435 2.850 50 0 CFAARO c1coc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000034990738 372525885 /nfs/dbraw/zinc/52/58/85/372525885.db2.gz ZDJWFCAOWAZUEW-UHFFFAOYSA-N 1 0 253.305 2.755 50 0 CFAARO CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000034996084 372526781 /nfs/dbraw/zinc/52/67/81/372526781.db2.gz LCBWUIXCEQKQKD-ZDUSSCGKSA-N 1 0 260.381 2.657 50 0 CFAARO CCc1oc2ccccc2c1C[NH2+]CC(=O)NC(C)C ZINC000035017908 372528785 /nfs/dbraw/zinc/52/87/85/372528785.db2.gz KMPYTGGQFMNSNA-UHFFFAOYSA-N 1 0 274.364 2.609 50 0 CFAARO Oc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000035605965 372550248 /nfs/dbraw/zinc/55/02/48/372550248.db2.gz PIPUVIVUPYSYRA-UHFFFAOYSA-N 1 0 286.350 2.854 50 0 CFAARO Brc1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC000036034128 372554697 /nfs/dbraw/zinc/55/46/97/372554697.db2.gz GZOHUAVSKZQNRX-LBPRGKRZSA-N 1 0 270.170 2.718 50 0 CFAARO C[C@H](CNC(=O)c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036077101 372556420 /nfs/dbraw/zinc/55/64/20/372556420.db2.gz BLFATNVYNIJBKI-SNVBAGLBSA-N 1 0 284.762 2.693 50 0 CFAARO CCOCC[NH2+]Cc1cccc(Br)c1 ZINC000036228593 372568434 /nfs/dbraw/zinc/56/84/34/372568434.db2.gz HNENKQTWRXWWIB-UHFFFAOYSA-N 1 0 258.159 2.575 50 0 CFAARO CN(C(=O)c1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000036283212 372569651 /nfs/dbraw/zinc/56/96/51/372569651.db2.gz VOBDBQXYAFOBPF-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000036408778 372580963 /nfs/dbraw/zinc/58/09/63/372580963.db2.gz HAORNFIYIXZFPZ-NWDGAFQWSA-N 1 0 266.410 2.800 50 0 CFAARO C[C@@H](CNC(=S)NCc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000036847510 372602795 /nfs/dbraw/zinc/60/27/95/372602795.db2.gz TUUOODZZSKLVRS-STQMWFEESA-N 1 0 295.452 2.507 50 0 CFAARO CC[C@@H]([NH3+])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037041372 372641931 /nfs/dbraw/zinc/64/19/31/372641931.db2.gz BTIPUAZRSCRWLS-SNVBAGLBSA-N 1 0 261.325 2.627 50 0 CFAARO CC[NH+]1CCN(c2cc(Oc3cccc(C)c3)ncn2)CC1 ZINC000037623494 372678177 /nfs/dbraw/zinc/67/81/77/372678177.db2.gz VUXNLLWTAAWVBP-UHFFFAOYSA-N 1 0 298.390 2.719 50 0 CFAARO c1cncc(C[NH2+]Cc2ccc3c(c2)OCCCO3)c1 ZINC000037674974 372688583 /nfs/dbraw/zinc/68/85/83/372688583.db2.gz IYEPJNQTCRTEFV-UHFFFAOYSA-N 1 0 270.332 2.533 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037808150 372718370 /nfs/dbraw/zinc/71/83/70/372718370.db2.gz ZULWZSSTAOFZLW-NEPJUHHUSA-N 1 0 280.799 2.859 50 0 CFAARO O[C@H](C[NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000037856543 372726509 /nfs/dbraw/zinc/72/65/09/372726509.db2.gz LCVNAACIDJZOBJ-OAHLLOKOSA-N 1 0 263.287 2.788 50 0 CFAARO CC(C)Oc1cccc(C[NH2+]CCCN2CCCC2=O)c1 ZINC000040731270 372783709 /nfs/dbraw/zinc/78/37/09/372783709.db2.gz XAEMNAKDDBJPAQ-UHFFFAOYSA-N 1 0 290.407 2.576 50 0 CFAARO CC(C)(C)c1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000041028451 372805036 /nfs/dbraw/zinc/80/50/36/372805036.db2.gz TZXZOVYFEVARAV-AWEZNQCLSA-N 1 0 260.381 2.547 50 0 CFAARO O[C@H](c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000041344117 372833512 /nfs/dbraw/zinc/83/35/12/372833512.db2.gz SSXRXLXPTLCXJM-CMPLNLGQSA-N 1 0 259.271 2.738 50 0 CFAARO CC[C@@H]1CCC[N@H+](CCn2c3ccccc3oc2=O)C1 ZINC000042145741 372877797 /nfs/dbraw/zinc/87/77/97/372877797.db2.gz OXBASCVPQQSIIY-CYBMUJFWSA-N 1 0 274.364 2.717 50 0 CFAARO CCc1ccc2ncn(CC[C@H]3CCCC[N@@H+]3C)c(=O)c2c1 ZINC000042948920 372967760 /nfs/dbraw/zinc/96/77/60/372967760.db2.gz ZBHMKFXPOKPKDO-OAHLLOKOSA-N 1 0 299.418 2.833 50 0 CFAARO FC(F)(F)c1ccc(OCCC2CC[NH2+]CC2)nc1 ZINC000042774194 372954854 /nfs/dbraw/zinc/95/48/54/372954854.db2.gz QSIQJXGTVFKRES-UHFFFAOYSA-N 1 0 274.286 2.869 50 0 CFAARO CC(C)=CCN1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000042816719 372958110 /nfs/dbraw/zinc/95/81/10/372958110.db2.gz NLTBGXLZKSBGHW-INIZCTEOSA-N 1 0 266.429 2.576 50 0 CFAARO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc2cccnc21 ZINC000045785722 373032915 /nfs/dbraw/zinc/03/29/15/373032915.db2.gz KJJQPHAQWNARPC-OLZOCXBDSA-N 1 0 256.349 2.844 50 0 CFAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(F)cc2Cl)C1 ZINC000046877983 373065794 /nfs/dbraw/zinc/06/57/94/373065794.db2.gz FAFRATKLBMKXHJ-LLVKDONJSA-N 1 0 298.789 2.941 50 0 CFAARO Cc1cc(C)cc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000047496771 373098381 /nfs/dbraw/zinc/09/83/81/373098381.db2.gz TXWRFMLBVBXHIG-UHFFFAOYSA-N 1 0 261.365 2.642 50 0 CFAARO COCC[N@H+](C)Cc1cc(Br)cs1 ZINC000047751138 373115814 /nfs/dbraw/zinc/11/58/14/373115814.db2.gz HGEZPTJLDPZSEM-UHFFFAOYSA-N 1 0 264.188 2.589 50 0 CFAARO CC[NH+]1CCC(CNc2cnc3ccccc3n2)CC1 ZINC000048299416 373161176 /nfs/dbraw/zinc/16/11/76/373161176.db2.gz YXBSSKCXELYMIC-UHFFFAOYSA-N 1 0 270.380 2.774 50 0 CFAARO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H](O)C2)c1C ZINC000048343696 373165219 /nfs/dbraw/zinc/16/52/19/373165219.db2.gz SFICLZHPYVZWMV-HNNXBMFYSA-N 1 0 275.392 2.771 50 0 CFAARO c1cc2c(ncnc2N[C@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000048336868 373165287 /nfs/dbraw/zinc/16/52/87/373165287.db2.gz VPYOQVZCKRQYCW-NWDGAFQWSA-N 1 0 274.393 2.730 50 0 CFAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H]1CCC=CO1 ZINC000050269008 373368396 /nfs/dbraw/zinc/36/83/96/373368396.db2.gz FARAVOIUSWVAMZ-XJKSGUPXSA-N 1 0 261.365 2.996 50 0 CFAARO Cc1cc(C)nc(SCC[C@@H]2CCCC[NH2+]2)n1 ZINC000051608130 373402892 /nfs/dbraw/zinc/40/28/92/373402892.db2.gz FXRXONZTVAQEMD-LBPRGKRZSA-N 1 0 251.399 2.718 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[N@H+](C)CCc2ccccc2)c1 ZINC000051404533 373395172 /nfs/dbraw/zinc/39/51/72/373395172.db2.gz CVZJNEOLZPGNGH-SFHVURJKSA-N 1 0 299.414 2.909 50 0 CFAARO c1ccc2c(c1)C[C@H](C[NH2+]Cc1cccc3c1OCCO3)O2 ZINC000054039494 373493428 /nfs/dbraw/zinc/49/34/28/373493428.db2.gz RMPMJFLPLGBXAK-OAHLLOKOSA-N 1 0 297.354 2.551 50 0 CFAARO C[NH+]1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000054148079 373499704 /nfs/dbraw/zinc/49/97/04/373499704.db2.gz NJNMRRMTUABSHP-UHFFFAOYSA-N 1 0 286.828 2.545 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000054226571 373506017 /nfs/dbraw/zinc/50/60/17/373506017.db2.gz MTLOBGZEUWKBSA-PBHICJAKSA-N 1 0 295.386 2.647 50 0 CFAARO CS[C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000054223117 373507173 /nfs/dbraw/zinc/50/71/73/373507173.db2.gz ZPBLWIULTWRPQZ-GUTXKFCHSA-N 1 0 292.448 2.690 50 0 CFAARO O=C(c1cccs1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000054992097 373532842 /nfs/dbraw/zinc/53/28/42/373532842.db2.gz WIQZOZODHIXCDD-CQSZACIVSA-N 1 0 290.432 2.862 50 0 CFAARO Cn1cc(C[NH2+]Cc2cccnc2)c2ccccc21 ZINC000057353179 373589739 /nfs/dbraw/zinc/58/97/39/373589739.db2.gz KWRPNCAYCMRBIJ-UHFFFAOYSA-N 1 0 251.333 2.863 50 0 CFAARO c1ccc(CC[NH2+]CCCOc2ccccn2)cc1 ZINC000057353387 373590245 /nfs/dbraw/zinc/59/02/45/373590245.db2.gz BYRMFCSKPSGQOP-UHFFFAOYSA-N 1 0 256.349 2.683 50 0 CFAARO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cccc(O)c1 ZINC000055107553 373541058 /nfs/dbraw/zinc/54/10/58/373541058.db2.gz HRDPWUJLUNWRLR-UHFFFAOYSA-N 1 0 273.380 2.784 50 0 CFAARO C[NH+](C)CCCNC(=O)c1ccc(SC(F)F)cc1 ZINC000055175929 373544774 /nfs/dbraw/zinc/54/47/74/373544774.db2.gz NVVXQJRYAGDJHJ-UHFFFAOYSA-N 1 0 288.363 2.683 50 0 CFAARO Cc1cc(C[N@H+](C)CCCOc2ccc(F)cc2)[nH]n1 ZINC000055281411 373546325 /nfs/dbraw/zinc/54/63/25/373546325.db2.gz KVSHWKDBANVMNI-UHFFFAOYSA-N 1 0 277.343 2.758 50 0 CFAARO COC(=O)CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000055386393 373550344 /nfs/dbraw/zinc/55/03/44/373550344.db2.gz FCMRSXJSJCWTEJ-UHFFFAOYSA-N 1 0 291.269 2.580 50 0 CFAARO C[C@H](CNC(=O)/C=C/c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000055932988 373560189 /nfs/dbraw/zinc/56/01/89/373560189.db2.gz WYSGDZHJTJOBLT-DNGMOHDESA-N 1 0 290.382 2.830 50 0 CFAARO CC(C)COC1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000056507852 373565227 /nfs/dbraw/zinc/56/52/27/373565227.db2.gz OFLJBQPBGOLUOJ-HNNXBMFYSA-N 1 0 296.455 2.524 50 0 CFAARO CC[N@H+](CCNC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000058268347 373638345 /nfs/dbraw/zinc/63/83/45/373638345.db2.gz KKKDTSPJUJNIIE-UHFFFAOYSA-N 1 0 283.322 2.571 50 0 CFAARO O=C(Nc1cccc(C[NH+]2CCSCC2)c1)C1CCC1 ZINC000058290260 373642637 /nfs/dbraw/zinc/64/26/37/373642637.db2.gz NMYPWEOUHUCLFO-UHFFFAOYSA-N 1 0 290.432 2.974 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]12)c1occc1-c1ccccc1 ZINC000058369319 373650769 /nfs/dbraw/zinc/65/07/69/373650769.db2.gz CIMMISOHPHCQOA-HZPDHXFCSA-N 1 0 296.370 2.913 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cccc(Cl)c1 ZINC000058391812 373652706 /nfs/dbraw/zinc/65/27/06/373652706.db2.gz HRECYMZIARZCCE-UHFFFAOYSA-N 1 0 292.814 2.738 50 0 CFAARO Cc1ccc(N)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000057579358 373602476 /nfs/dbraw/zinc/60/24/76/373602476.db2.gz DCFUOYUVDZJCGK-UHFFFAOYSA-N 1 0 281.403 2.899 50 0 CFAARO CC[N@H+](CCc1ccncc1)C[C@H](O)c1ccc(C)cc1 ZINC000062349837 373758596 /nfs/dbraw/zinc/75/85/96/373758596.db2.gz RVYAHYDQIZOPBB-SFHVURJKSA-N 1 0 284.403 2.988 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(F)cc2)C1 ZINC000063710385 373813035 /nfs/dbraw/zinc/81/30/35/373813035.db2.gz BZUFMSXFXYEDPA-OAHLLOKOSA-N 1 0 292.398 2.605 50 0 CFAARO c1cnn(-c2ccc(CN3CCC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000064570683 373832127 /nfs/dbraw/zinc/83/21/27/373832127.db2.gz XAAAUQAQBBOJPX-SFHVURJKSA-N 1 0 296.418 2.542 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000065539181 373884821 /nfs/dbraw/zinc/88/48/21/373884821.db2.gz QMWSHWXZSAGCFC-QGZVFWFLSA-N 1 0 299.374 2.730 50 0 CFAARO CCC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000065566455 373889915 /nfs/dbraw/zinc/88/99/15/373889915.db2.gz OBJGQKDFHUGAFB-NWDGAFQWSA-N 1 0 294.361 2.956 50 0 CFAARO CC(C)=CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000065592645 373890820 /nfs/dbraw/zinc/89/08/20/373890820.db2.gz DNOMOHLASPKRSK-UHFFFAOYSA-N 1 0 290.382 2.986 50 0 CFAARO C[C@H](CNC(=O)c1ccccc1Oc1cccnc1)[NH+](C)C ZINC000065626813 373897940 /nfs/dbraw/zinc/89/79/40/373897940.db2.gz NQMBLNRYRHOHOX-CYBMUJFWSA-N 1 0 299.374 2.554 50 0 CFAARO CC[C@H](C)NC(=O)c1cc(C)n(CC[NH+]2CCCC2)c1C ZINC000065178103 373848595 /nfs/dbraw/zinc/84/85/95/373848595.db2.gz WLZUIJUYULVXNE-ZDUSSCGKSA-N 1 0 291.439 2.729 50 0 CFAARO CCn1cnnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065287811 373853401 /nfs/dbraw/zinc/85/34/01/373853401.db2.gz DGISDRUXYFRNKC-ZDUSSCGKSA-N 1 0 262.401 2.810 50 0 CFAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065371793 373858631 /nfs/dbraw/zinc/85/86/31/373858631.db2.gz KELDDCWUZOXMRE-AWEZNQCLSA-N 1 0 293.374 2.855 50 0 CFAARO CCC[C@@H]1C=CCN1C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000065374832 373862056 /nfs/dbraw/zinc/86/20/56/373862056.db2.gz FESGIFVOKVUEAI-OAHLLOKOSA-N 1 0 276.424 2.962 50 0 CFAARO Cc1cc(NCC(C)(C)C[NH+](C)C)nc(-c2cccnc2)n1 ZINC000065395530 373864369 /nfs/dbraw/zinc/86/43/69/373864369.db2.gz USPAPVLAVQBKNB-UHFFFAOYSA-N 1 0 299.422 2.847 50 0 CFAARO O=C1CCCN1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065393731 373864921 /nfs/dbraw/zinc/86/49/21/373864921.db2.gz DUHZSUYMXZBYSH-INIZCTEOSA-N 1 0 272.392 2.521 50 0 CFAARO Cc1cccnc1C[C@H](C)[N@H+](C)Cc1ccc(CO)o1 ZINC000065408415 373868256 /nfs/dbraw/zinc/86/82/56/373868256.db2.gz NCAUHPLWAQDLGM-ZDUSSCGKSA-N 1 0 274.364 2.538 50 0 CFAARO CCNc1ccnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC000065435088 373872562 /nfs/dbraw/zinc/87/25/62/373872562.db2.gz BLLKZLHERKSEED-UHFFFAOYSA-N 1 0 291.443 2.972 50 0 CFAARO Cc1nccn1-c1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000065435768 373872730 /nfs/dbraw/zinc/87/27/30/373872730.db2.gz JXUPTQMEJYMRGM-CQSZACIVSA-N 1 0 273.405 2.776 50 0 CFAARO CC(=O)N1CCC([NH2+]CCn2c(C)cc3ccccc32)CC1 ZINC000065489798 373878019 /nfs/dbraw/zinc/87/80/19/373878019.db2.gz JFTMFNRYQDJPPV-UHFFFAOYSA-N 1 0 299.418 2.550 50 0 CFAARO CC(C)C[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000065962063 373906689 /nfs/dbraw/zinc/90/66/89/373906689.db2.gz GNOOCJVMEQNCRO-LBPRGKRZSA-N 1 0 282.815 2.933 50 0 CFAARO c1nc2c([nH]1)[C@H](c1ccc(Oc3ccccc3)nc1)NCC2 ZINC000067713436 373994382 /nfs/dbraw/zinc/99/43/82/373994382.db2.gz QENROQOJFFTOBN-INIZCTEOSA-N 1 0 292.342 2.832 50 0 CFAARO Cc1nccn1-c1ccccc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000067739407 373997657 /nfs/dbraw/zinc/99/76/57/373997657.db2.gz WNMCKKBHALJYED-CQSZACIVSA-N 1 0 295.390 2.556 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000067754803 373998406 /nfs/dbraw/zinc/99/84/06/373998406.db2.gz RLKJTWOUNDOAFN-MRHLJLSQSA-N 1 0 252.402 2.581 50 0 CFAARO CCOc1ccc(-c2ccc(C(N)=O)cc2)cc1C[NH2+]C ZINC000067770577 373999409 /nfs/dbraw/zinc/99/94/09/373999409.db2.gz YPNMGVKDSWQXFO-UHFFFAOYSA-N 1 0 284.359 2.571 50 0 CFAARO C[N@H+](CCCn1cccn1)Cc1ccc2cccc(O)c2n1 ZINC000067804680 374003973 /nfs/dbraw/zinc/00/39/73/374003973.db2.gz OZFDMZPEVFBZKQ-UHFFFAOYSA-N 1 0 296.374 2.659 50 0 CFAARO Cc1csc2c1ncnc2N1CCC2(C1)CC[NH2+]CC2 ZINC000067833347 374007108 /nfs/dbraw/zinc/00/71/08/374007108.db2.gz WVYFWGDHKIRFJK-UHFFFAOYSA-N 1 0 288.420 2.580 50 0 CFAARO COc1cc(F)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c(F)c1 ZINC000067850005 374009193 /nfs/dbraw/zinc/00/91/93/374009193.db2.gz KQAXHGTXKVVBSB-INIZCTEOSA-N 1 0 296.361 2.549 50 0 CFAARO C[C@H](c1cccs1)[N@H+](C)Cc1cnn2cccnc12 ZINC000067868124 374011437 /nfs/dbraw/zinc/01/14/37/374011437.db2.gz AYWGWJVQSMZISL-LLVKDONJSA-N 1 0 272.377 2.984 50 0 CFAARO Cc1nc(-c2ccc3c4c(ccc3c2)O[C@@H](C[NH3+])C4)c[nH]1 ZINC000067948107 374017369 /nfs/dbraw/zinc/01/73/69/374017369.db2.gz IBZWXEUAGCKXDN-CYBMUJFWSA-N 1 0 279.343 2.801 50 0 CFAARO CC(C)C[NH+]1CCC([NH2+]C[C@H](C)Oc2cccnc2)CC1 ZINC000067975270 374017582 /nfs/dbraw/zinc/01/75/82/374017582.db2.gz UTMDCNHXFCRCAK-HNNXBMFYSA-N 1 0 291.439 2.559 50 0 CFAARO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3nccs3)c2O1 ZINC000067982894 374019755 /nfs/dbraw/zinc/01/97/55/374019755.db2.gz TZQOSIVOMPZMPZ-VIFPVBQESA-N 1 0 266.753 2.726 50 0 CFAARO C/C(=C\c1ccccc1)C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000067489599 373981185 /nfs/dbraw/zinc/98/11/85/373981185.db2.gz MKSJZDQMAGVAKO-KPJVXMDVSA-N 1 0 284.403 2.785 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)c2occc2C)C1 ZINC000067587313 373985650 /nfs/dbraw/zinc/98/56/50/373985650.db2.gz PLSDIMNUWXPBBU-WQPBDQAGSA-N 1 0 290.407 2.996 50 0 CFAARO CC(C)(C)c1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)[nH]n1 ZINC000067641417 373987337 /nfs/dbraw/zinc/98/73/37/373987337.db2.gz RGQHJGUFPXSRRV-GUYCJALGSA-N 1 0 291.439 2.834 50 0 CFAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2ncc[nH]2)C1 ZINC000067668330 373989799 /nfs/dbraw/zinc/98/97/99/373989799.db2.gz BANFEIXULWZFHD-OAHLLOKOSA-N 1 0 298.434 2.931 50 0 CFAARO Cc1nc([C@@H]2C=CC[NH2+]2)n(-c2ccc(Cl)cc2C)n1 ZINC000067676039 373992072 /nfs/dbraw/zinc/99/20/72/373992072.db2.gz GETSAYXWDGMBJP-LBPRGKRZSA-N 1 0 274.755 2.738 50 0 CFAARO C[NH2+]Cc1cc(-c2ccc3c(c2)OCO3)ccc1OC ZINC000067689274 373992432 /nfs/dbraw/zinc/99/24/32/373992432.db2.gz XXEFNFSDXJPSBX-UHFFFAOYSA-N 1 0 271.316 2.810 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000069599063 374078072 /nfs/dbraw/zinc/07/80/72/374078072.db2.gz YMQDHCHTEKPRHO-GJZGRUSLSA-N 1 0 276.355 2.525 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC000069659271 374083271 /nfs/dbraw/zinc/08/32/71/374083271.db2.gz NXHJCRHOEQIQJR-CABCVRRESA-N 1 0 264.413 2.652 50 0 CFAARO CCc1noc([C@H](C)N2CC[NH+](CC3CCCC3)CC2)n1 ZINC000069626580 374080594 /nfs/dbraw/zinc/08/05/94/374080594.db2.gz JVTCKFNMWBRWAR-ZDUSSCGKSA-N 1 0 292.427 2.501 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)cc1 ZINC000069368921 374056086 /nfs/dbraw/zinc/05/60/86/374056086.db2.gz RPJRKXDJOATQPW-STQMWFEESA-N 1 0 259.353 2.631 50 0 CFAARO C[C@H]1CCCCN1C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000069415795 374059531 /nfs/dbraw/zinc/05/95/31/374059531.db2.gz DFHXZDJCJQCUMW-GOEBONIOSA-N 1 0 274.408 2.560 50 0 CFAARO c1cnn(C[C@@H]2C[N@@H+]([C@H]3CCCc4ccccc43)CCO2)c1 ZINC000069419300 374061241 /nfs/dbraw/zinc/06/12/41/374061241.db2.gz GIAPJSAHAOPKTH-WMZOPIPTSA-N 1 0 297.402 2.662 50 0 CFAARO Cc1ccc([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000289515842 197386046 /nfs/dbraw/zinc/38/60/46/197386046.db2.gz RFJDASQSZBADEU-CQSZACIVSA-N 1 0 272.392 2.801 50 0 CFAARO c1cnn(C[C@@H]2C[N@@H+]([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000069419302 374061406 /nfs/dbraw/zinc/06/14/06/374061406.db2.gz GIAPJSAHAOPKTH-FUHWJXTLSA-N 1 0 297.402 2.662 50 0 CFAARO CONC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000069435042 374063224 /nfs/dbraw/zinc/06/32/24/374063224.db2.gz AFLBXSLNLWQTHC-UHFFFAOYSA-N 1 0 284.359 2.610 50 0 CFAARO CCC[NH+]1CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000069444071 374063785 /nfs/dbraw/zinc/06/37/85/374063785.db2.gz QNDQEEMTZVADMC-HZPDHXFCSA-N 1 0 268.445 2.609 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000069491725 374067981 /nfs/dbraw/zinc/06/79/81/374067981.db2.gz MDALECPGBHVTDH-STQMWFEESA-N 1 0 293.436 2.540 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000069489710 374068182 /nfs/dbraw/zinc/06/81/82/374068182.db2.gz BVUAYAMTVMHDBY-OAHLLOKOSA-N 1 0 295.390 2.556 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cnc(C)s2)c1 ZINC000069490457 374068332 /nfs/dbraw/zinc/06/83/32/374068332.db2.gz SWPJXDDMERFLIX-QWRGUYRKSA-N 1 0 264.398 2.696 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(-n3ccnc3)cc2)c1 ZINC000069489711 374068669 /nfs/dbraw/zinc/06/86/69/374068669.db2.gz BVUAYAMTVMHDBY-HNNXBMFYSA-N 1 0 295.390 2.556 50 0 CFAARO CCC[NH+]1CCN(CCCOCCc2ccccc2)CC1 ZINC000069530402 374072757 /nfs/dbraw/zinc/07/27/57/374072757.db2.gz DPYQWWYWHYYSIU-UHFFFAOYSA-N 1 0 290.451 2.663 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069571154 374075083 /nfs/dbraw/zinc/07/50/83/374075083.db2.gz SBPSTKIOKIZLLH-SJORKVTESA-N 1 0 297.402 2.867 50 0 CFAARO C[C@@H]([NH2+]CCOc1ccc(F)cc1)[C@H](C)n1cccn1 ZINC000069967238 374111542 /nfs/dbraw/zinc/11/15/42/374111542.db2.gz QTRZZYISNAYMSE-OLZOCXBDSA-N 1 0 277.343 2.640 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000069809009 374097995 /nfs/dbraw/zinc/09/79/95/374097995.db2.gz IQYCNIHVXOMEAC-UHFFFAOYSA-N 1 0 284.762 2.647 50 0 CFAARO CCc1nnc2n1C[C@@H](C[NH2+]Cc1sccc1C)CC2 ZINC000069874647 374105111 /nfs/dbraw/zinc/10/51/11/374105111.db2.gz WTJBZZAJLOKWAI-GFCCVEGCSA-N 1 0 290.436 2.563 50 0 CFAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070172581 374137453 /nfs/dbraw/zinc/13/74/53/374137453.db2.gz RNFGUROOHBMMGJ-QWRGUYRKSA-N 1 0 296.798 2.548 50 0 CFAARO COc1cc(Cl)ccc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070172350 374138071 /nfs/dbraw/zinc/13/80/71/374138071.db2.gz WDIKIFQRMKEWGS-MNOVXSKESA-N 1 0 296.798 2.548 50 0 CFAARO CC(C)Oc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000070252218 374155061 /nfs/dbraw/zinc/15/50/61/374155061.db2.gz UFXUNXGIOZBJBW-OAHLLOKOSA-N 1 0 288.391 2.802 50 0 CFAARO C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253994 374156481 /nfs/dbraw/zinc/15/64/81/374156481.db2.gz MNANWJIWHLCNEX-JSGCOSHPSA-N 1 0 290.382 2.735 50 0 CFAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1nccn1C ZINC000070443517 374175491 /nfs/dbraw/zinc/17/54/91/374175491.db2.gz PDCXDFPEHGMFEV-GFCCVEGCSA-N 1 0 268.364 2.795 50 0 CFAARO C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576190 374195574 /nfs/dbraw/zinc/19/55/74/374195574.db2.gz AFRLSDPVVKZMCA-UPJWGTAASA-N 1 0 278.371 2.863 50 0 CFAARO C[C@@H]1C[N@@H+](Cc2ccc(CCC(C)(C)O)cc2)C[C@H](C)O1 ZINC000072428790 374251336 /nfs/dbraw/zinc/25/13/36/374251336.db2.gz CYZKAWAUBLWHPO-GASCZTMLSA-N 1 0 291.435 2.999 50 0 CFAARO CCC[C@](C)(CO)[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000072289930 374242291 /nfs/dbraw/zinc/24/22/91/374242291.db2.gz UXKDFXDCDXAEPK-MRXNPFEDSA-N 1 0 291.370 2.652 50 0 CFAARO Cn1cc(CCC[N@H+](C[C@H](O)c2ccccc2)C2CC2)cn1 ZINC000075140792 374461007 /nfs/dbraw/zinc/46/10/07/374461007.db2.gz RQUHCZHDBSGSCB-SFHVURJKSA-N 1 0 299.418 2.551 50 0 CFAARO C[C@H](CCc1ccccc1)[NH2+]Cc1nnc2n1CCCC2 ZINC000076046775 374524861 /nfs/dbraw/zinc/52/48/61/374524861.db2.gz BKLPCYAOHQQJIT-CQSZACIVSA-N 1 0 284.407 2.725 50 0 CFAARO CCOCC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000075742321 374501840 /nfs/dbraw/zinc/50/18/40/374501840.db2.gz YBCXLBHODOUOFK-UHFFFAOYSA-N 1 0 289.419 2.913 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)[nH]n1 ZINC000078901092 374572863 /nfs/dbraw/zinc/57/28/63/374572863.db2.gz PEMWUDUHIGUEDP-GFCCVEGCSA-N 1 0 276.409 2.863 50 0 CFAARO Cc1[nH]ccc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084282465 374774788 /nfs/dbraw/zinc/77/47/88/374774788.db2.gz JCQDOBDZPORWCF-UHFFFAOYSA-N 1 0 291.420 2.589 50 0 CFAARO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000084615236 374783379 /nfs/dbraw/zinc/78/33/79/374783379.db2.gz BPZXEFRJVIZNSD-IAGOWNOFSA-N 1 0 291.439 2.679 50 0 CFAARO COCC[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089414129 374901760 /nfs/dbraw/zinc/90/17/60/374901760.db2.gz CPSHEBLSJFEOOB-UHFFFAOYSA-N 1 0 256.349 2.903 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1C ZINC000089266718 374893345 /nfs/dbraw/zinc/89/33/45/374893345.db2.gz SZIOYUUQRMSDON-AVGNSLFASA-N 1 0 295.379 2.528 50 0 CFAARO Cn1cccc1C[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000088755545 374862482 /nfs/dbraw/zinc/86/24/82/374862482.db2.gz IQJXXFJJBALYFR-LBPRGKRZSA-N 1 0 291.345 2.672 50 0 CFAARO Cc1ccn2c(C[NH2+]C[C@@H]3CCCn4ccnc43)cnc2c1 ZINC000089700814 374939490 /nfs/dbraw/zinc/93/94/90/374939490.db2.gz BCXBGERIIHELOS-AWEZNQCLSA-N 1 0 295.390 2.506 50 0 CFAARO CCOCC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000089986969 374982050 /nfs/dbraw/zinc/98/20/50/374982050.db2.gz RCLUCUFEBNXVQR-UHFFFAOYSA-N 1 0 271.364 2.689 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cnnc1C1CC1)CC2 ZINC000090032489 374986100 /nfs/dbraw/zinc/98/61/00/374986100.db2.gz RXBGXYCGIVQORK-INIZCTEOSA-N 1 0 282.391 2.741 50 0 CFAARO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000090087664 374990173 /nfs/dbraw/zinc/99/01/73/374990173.db2.gz GWOLZRWJVPEXQP-RYUDHWBXSA-N 1 0 279.380 2.863 50 0 CFAARO Cc1nc(N2CCc3c(Cl)cccc3C2)cc(N)[nH+]1 ZINC000092046260 375083328 /nfs/dbraw/zinc/08/33/28/375083328.db2.gz RSIAQIWGRJGBCY-UHFFFAOYSA-N 1 0 274.755 2.583 50 0 CFAARO NC(=O)CC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000092660453 375137241 /nfs/dbraw/zinc/13/72/41/375137241.db2.gz ZCCXGUJHQOOWDA-BQTXGFLSSA-N 1 0 290.382 2.816 50 0 CFAARO COCc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092756584 375150209 /nfs/dbraw/zinc/15/02/09/375150209.db2.gz RFAWXHOQHPYJSC-KRWDZBQOSA-N 1 0 274.408 2.503 50 0 CFAARO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C(C)(C)F ZINC000092868948 375165630 /nfs/dbraw/zinc/16/56/30/375165630.db2.gz XVZOSEDNRRRQIS-AWEZNQCLSA-N 1 0 292.398 2.858 50 0 CFAARO C[C@@H]1C[C@H](N(C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643705 375280465 /nfs/dbraw/zinc/28/04/65/375280465.db2.gz KCCCPYRKBYLFBM-IAQYHMDHSA-N 1 0 268.351 2.879 50 0 CFAARO Cc1ncc(C[N@H+](C)C[C@H]2CCOC2)n1-c1ccccc1 ZINC000093840000 375320863 /nfs/dbraw/zinc/32/08/63/375320863.db2.gz HRGDNIINBHVTOU-OAHLLOKOSA-N 1 0 285.391 2.649 50 0 CFAARO CCC(CC)[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2C)CCO1 ZINC000095465778 375458761 /nfs/dbraw/zinc/45/87/61/375458761.db2.gz LEFDNDKZSCZHMX-HUUCEWRRSA-N 1 0 265.401 2.792 50 0 CFAARO Cc1nn(C)c2nc(NCC[C@H]3CCCC[N@@H+]3C)sc12 ZINC000095501072 375460674 /nfs/dbraw/zinc/46/06/74/375460674.db2.gz GHJQTAMNOKJFCJ-LLVKDONJSA-N 1 0 293.440 2.625 50 0 CFAARO c1ccc(-c2nc3c([nH]2)C[N@H+]([C@@H]2CCSC2)CC3)cc1 ZINC000095497058 375461458 /nfs/dbraw/zinc/46/14/58/375461458.db2.gz CQCSBGVYGIPZFU-CYBMUJFWSA-N 1 0 285.416 2.940 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCCO1)CC2 ZINC000095973395 375465320 /nfs/dbraw/zinc/46/53/20/375465320.db2.gz VNJAGSNRPJBAFT-HZPDHXFCSA-N 1 0 275.392 2.711 50 0 CFAARO CCC1([NH2+][C@@H](C)c2ccc(C)c(S(N)(=O)=O)c2)CCC1 ZINC000095991497 375466191 /nfs/dbraw/zinc/46/61/91/375466191.db2.gz KIKVXOSJXRTKRN-LBPRGKRZSA-N 1 0 296.436 2.626 50 0 CFAARO CC[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CCN1CCOC ZINC000096003760 375466572 /nfs/dbraw/zinc/46/65/72/375466572.db2.gz IFHMOMOYNTZZKY-CYBMUJFWSA-N 1 0 297.830 2.590 50 0 CFAARO Nc1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000096077905 375468653 /nfs/dbraw/zinc/46/86/53/375468653.db2.gz PWRIPAKMYFVVIX-UHFFFAOYSA-N 1 0 285.366 2.730 50 0 CFAARO C[NH+]1CCN(c2ccc(Br)c(Cl)c2)CC1 ZINC000095217858 375416158 /nfs/dbraw/zinc/41/61/58/375416158.db2.gz MXYFKZPPPWIQFU-UHFFFAOYSA-N 1 0 289.604 2.854 50 0 CFAARO [NH3+][C@@H]1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)C1 ZINC000096151704 375469939 /nfs/dbraw/zinc/46/99/39/375469939.db2.gz SMJGEIMNZGGCCO-GFCCVEGCSA-N 1 0 289.379 2.573 50 0 CFAARO COCCc1noc(C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000096153012 375470209 /nfs/dbraw/zinc/47/02/09/375470209.db2.gz ZGZAQPYZWFQCBL-UHFFFAOYSA-N 1 0 293.411 2.771 50 0 CFAARO CCc1cnc(NCC(C)(C)[NH+]2CCCCC2)nc1 ZINC000095377338 375425515 /nfs/dbraw/zinc/42/55/15/375425515.db2.gz FFEVXQWLCIRWBC-UHFFFAOYSA-N 1 0 262.401 2.715 50 0 CFAARO CCCN(C(=O)c1ccc2ncccc2c1)C1CC[NH2+]CC1 ZINC000095396984 375430494 /nfs/dbraw/zinc/43/04/94/375430494.db2.gz LPKBCQDMLJOOCZ-UHFFFAOYSA-N 1 0 297.402 2.839 50 0 CFAARO CCCCCC[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000095400253 375431306 /nfs/dbraw/zinc/43/13/06/375431306.db2.gz IPRCEKJNGAMYOE-UHFFFAOYSA-N 1 0 277.412 2.743 50 0 CFAARO CCOC(=O)CCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000095399811 375431994 /nfs/dbraw/zinc/43/19/94/375431994.db2.gz RGYVDJATBTYIOR-ZDUSSCGKSA-N 1 0 265.353 2.802 50 0 CFAARO C[N@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCCOC1 ZINC000095404856 375433489 /nfs/dbraw/zinc/43/34/89/375433489.db2.gz QOVWZOCXJDHEOM-HNNXBMFYSA-N 1 0 275.392 2.522 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N[C@H]1C=CCCC1 ZINC000095411208 375436378 /nfs/dbraw/zinc/43/63/78/375436378.db2.gz CKTMNZSQFZMRHW-AWEZNQCLSA-N 1 0 267.417 2.515 50 0 CFAARO COc1ccc([C@H](O)C[NH2+][C@H](C(C)C)C2CC2)cc1 ZINC000095419753 375438919 /nfs/dbraw/zinc/43/89/19/375438919.db2.gz GRQIORXCBIUESR-HZPDHXFCSA-N 1 0 263.381 2.753 50 0 CFAARO C[C@H](CC(=O)N(C)C)[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000095422194 375440871 /nfs/dbraw/zinc/44/08/71/375440871.db2.gz ZALDKVHDTPEJCU-BZNIZROVSA-N 1 0 278.371 2.733 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCn1cccn1 ZINC000095419824 375441255 /nfs/dbraw/zinc/44/12/55/375441255.db2.gz QCULSYNJECUCPR-ZDUSSCGKSA-N 1 0 261.344 2.633 50 0 CFAARO O=C(C1CCCCC1)N1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000095423774 375442887 /nfs/dbraw/zinc/44/28/87/375442887.db2.gz NVRNJBMEKKQIFL-INIZCTEOSA-N 1 0 290.451 2.946 50 0 CFAARO CN(Cc1cccs1)C(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000095427968 375443095 /nfs/dbraw/zinc/44/30/95/375443095.db2.gz XPOCVIVCRFVRGT-AWEZNQCLSA-N 1 0 288.416 2.667 50 0 CFAARO CCN1CCC([N@H+](C)Cc2cccc(COC)c2)CC1 ZINC000095432395 375446585 /nfs/dbraw/zinc/44/65/85/375446585.db2.gz MMGPWBYWGHBZMQ-UHFFFAOYSA-N 1 0 276.424 2.749 50 0 CFAARO CC(C)(C)[C@H]([NH2+]CCN1C(=O)CCC1=O)c1ccccc1 ZINC000095431556 375446798 /nfs/dbraw/zinc/44/67/98/375446798.db2.gz HBQHGBIUDZMEFM-MRXNPFEDSA-N 1 0 288.391 2.512 50 0 CFAARO C[C@@H]1CCCCN1C(=O)CC[NH2+]C[C@H]1CC=CCC1 ZINC000095433942 375446803 /nfs/dbraw/zinc/44/68/03/375446803.db2.gz UIMHUKKOGBYEFX-CABCVRRESA-N 1 0 264.413 2.723 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]CCCn1cc(C)cn1)CC2 ZINC000095435742 375448482 /nfs/dbraw/zinc/44/84/82/375448482.db2.gz YAZRXKRHWVBCTE-QGZVFWFLSA-N 1 0 299.418 2.737 50 0 CFAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cscn1 ZINC000095448868 375453592 /nfs/dbraw/zinc/45/35/92/375453592.db2.gz DRSJEVNADALRGC-QMTHXVAHSA-N 1 0 280.368 2.884 50 0 CFAARO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cscn1 ZINC000095448865 375453884 /nfs/dbraw/zinc/45/38/84/375453884.db2.gz DRSJEVNADALRGC-HZMBPMFUSA-N 1 0 280.368 2.884 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000095448929 375453931 /nfs/dbraw/zinc/45/39/31/375453931.db2.gz UNSCPEMUDCKODQ-TVQRCGJNSA-N 1 0 280.393 2.955 50 0 CFAARO Cc1n[nH]cc1C[NH2+]CC1(c2ccccc2)CCC1 ZINC000097159242 375531536 /nfs/dbraw/zinc/53/15/36/375531536.db2.gz BUXMGGQJNFSQGH-UHFFFAOYSA-N 1 0 255.365 2.930 50 0 CFAARO Cn1cc(C[NH2+]Cc2ccc(F)cc2)c(-c2cccnc2)n1 ZINC000097159724 375532938 /nfs/dbraw/zinc/53/29/38/375532938.db2.gz LJZMHUFPSWRYHL-UHFFFAOYSA-N 1 0 296.349 2.911 50 0 CFAARO Cc1n[nH]cc1CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000097159475 375532996 /nfs/dbraw/zinc/53/29/96/375532996.db2.gz STRDYPBHGKBHAU-QGZVFWFLSA-N 1 0 284.407 2.645 50 0 CFAARO C[C@@H]1C[C@@H]1[C@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Cl)cc1 ZINC000096493192 375488362 /nfs/dbraw/zinc/48/83/62/375488362.db2.gz AFDADXSWJVPTHS-GJQVQUKXSA-N 1 0 278.783 2.515 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)[NH2+]CC[S@](=O)C(C)(C)C ZINC000096477852 375489227 /nfs/dbraw/zinc/48/92/27/375489227.db2.gz FXUMFKAAZVIKCR-CWTRNNRKSA-N 1 0 285.428 2.894 50 0 CFAARO COc1ccc([C@H](C)[NH2+][C@@]2(C)CCOC2)cc1F ZINC000097038522 375498493 /nfs/dbraw/zinc/49/84/93/375498493.db2.gz JJVMFXMYFLMOHP-HZMBPMFUSA-N 1 0 253.317 2.664 50 0 CFAARO COc1ccc([C@H](C)[NH2+][C@@]2(C)CCOC2)c(F)c1 ZINC000097038528 375498756 /nfs/dbraw/zinc/49/87/56/375498756.db2.gz NBZMJZXIQDGPRB-HZMBPMFUSA-N 1 0 253.317 2.664 50 0 CFAARO C[N@H+](CCc1ccncc1)C[C@H](O)c1c(F)cccc1F ZINC000097051131 375504484 /nfs/dbraw/zinc/50/44/84/375504484.db2.gz YCNTVJULCGETJM-HNNXBMFYSA-N 1 0 292.329 2.568 50 0 CFAARO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)s1 ZINC000097085142 375511872 /nfs/dbraw/zinc/51/18/72/375511872.db2.gz ZCCSUARAKYBKNJ-MFKMUULPSA-N 1 0 280.368 2.975 50 0 CFAARO FC(F)COc1cc(C[NH2+][C@H]2CCCSC2)ccn1 ZINC000097084675 375512088 /nfs/dbraw/zinc/51/20/88/375512088.db2.gz JFMHPIZWRHLURQ-NSHDSACASA-N 1 0 288.363 2.711 50 0 CFAARO CCn1c(C[NH2+][C@@H](C)[C@@H]2CCCO2)nc2c1cccc2F ZINC000097111583 375523260 /nfs/dbraw/zinc/52/32/60/375523260.db2.gz XXLDGPYHDKWZDD-FZMZJTMJSA-N 1 0 291.370 2.852 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CO)o2)C12CCCCC2 ZINC000098018788 375590522 /nfs/dbraw/zinc/59/05/22/375590522.db2.gz MALMSKCPICUOCR-HZPDHXFCSA-N 1 0 293.407 2.989 50 0 CFAARO CCn1ccc2cc(CN3C[C@@H]4CC[C@H]3C[NH2+]C4)ccc21 ZINC000097346734 375550495 /nfs/dbraw/zinc/55/04/95/375550495.db2.gz NSWGTVZUYWXUPQ-WBVHZDCISA-N 1 0 283.419 2.845 50 0 CFAARO CCc1cnc(CC[NH2+][C@@H]2CCCSC2)s1 ZINC000097370987 375551323 /nfs/dbraw/zinc/55/13/23/375551323.db2.gz MKQNVTKQAGGJAY-SNVBAGLBSA-N 1 0 256.440 2.733 50 0 CFAARO COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c(C)s1 ZINC000097374187 375553900 /nfs/dbraw/zinc/55/39/00/375553900.db2.gz TZLJEHZIPGSQAG-SKDRFNHKSA-N 1 0 283.393 2.500 50 0 CFAARO COC(=O)C(C)(C)c1ccc(NC2CC[NH+](C)CC2)cc1 ZINC000097378241 375554721 /nfs/dbraw/zinc/55/47/21/375554721.db2.gz NTGXALIZLXIMLP-UHFFFAOYSA-N 1 0 290.407 2.643 50 0 CFAARO CC(C)CC[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000097493247 375566968 /nfs/dbraw/zinc/56/69/68/375566968.db2.gz FLWXBXTYKZUMMX-CQSZACIVSA-N 1 0 254.418 2.755 50 0 CFAARO [NH3+][C@H]1CCCN(Cc2ccc(Cl)cc2F)CC1 ZINC000097546680 375568615 /nfs/dbraw/zinc/56/86/15/375568615.db2.gz YDEBFNBQEWBOOW-LBPRGKRZSA-N 1 0 256.752 2.792 50 0 CFAARO C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@@H]1CCOC1 ZINC000098060159 375596839 /nfs/dbraw/zinc/59/68/39/375596839.db2.gz OELFFJIHRHPSCM-VHSXEESVSA-N 1 0 257.736 2.994 50 0 CFAARO C[NH+]1CCN(Cc2ccc(C3=CCCCC3)nc2)CC1 ZINC000097602509 375572833 /nfs/dbraw/zinc/57/28/33/375572833.db2.gz HSQCBMOFVDYTHP-UHFFFAOYSA-N 1 0 271.408 2.786 50 0 CFAARO c1ccc2[nH]c(C[N@@H+]3CCCC4(CCOCC4)C3)nc2c1 ZINC000097694769 375579240 /nfs/dbraw/zinc/57/92/40/375579240.db2.gz QXJXUPREMNZHKA-UHFFFAOYSA-N 1 0 285.391 2.956 50 0 CFAARO CC(C)[C@H]1C=CCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000097785082 375584507 /nfs/dbraw/zinc/58/45/07/375584507.db2.gz IZXHTUBXPYHIOX-OAHLLOKOSA-N 1 0 288.391 2.912 50 0 CFAARO COC1=C2OCO[C@@H]2C=C2C=C[N+](Cc3ccccc3)=C[C@H]21 ZINC000100644838 375625722 /nfs/dbraw/zinc/62/57/22/375625722.db2.gz IYTHNZGOQPSBPT-HZPDHXFCSA-N 1 0 296.346 2.584 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000100019233 375611843 /nfs/dbraw/zinc/61/18/43/375611843.db2.gz ZNRGQMMCGHDTEI-ITGUQSILSA-N 1 0 284.359 2.950 50 0 world CFAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000106524268 375798818 /nfs/dbraw/zinc/79/88/18/375798818.db2.gz SWXQSJBSIVRICS-DYVFJYSZSA-N 1 0 286.419 2.911 50 0 CFAARO c1cc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cs1 ZINC000110708074 375832232 /nfs/dbraw/zinc/83/22/32/375832232.db2.gz JSXNHWYWNMBTCY-MGPQQGTHSA-N 1 0 263.406 2.838 50 0 CFAARO CCCCOC[n+]1ccn(Cc2cccc(C)c2)c1 ZINC000261492961 190039046 /nfs/dbraw/zinc/03/90/46/190039046.db2.gz RAZXANQHOURWKO-UHFFFAOYSA-N 1 0 259.373 2.907 50 0 CFAARO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124332304 377039622 /nfs/dbraw/zinc/03/96/22/377039622.db2.gz POALPRIWFLZQLE-SDDRHHMPSA-N 1 0 294.361 2.952 50 0 CFAARO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000129166207 377394796 /nfs/dbraw/zinc/39/47/96/377394796.db2.gz YDNTWOZFBUTTTN-HNNXBMFYSA-N 1 0 251.345 2.871 50 0 CFAARO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000130246973 377527337 /nfs/dbraw/zinc/52/73/37/377527337.db2.gz RMRIAJLKJYUNKD-GHMZBOCLSA-N 1 0 294.361 2.859 50 0 CFAARO CSCCCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000130473633 377563388 /nfs/dbraw/zinc/56/33/88/377563388.db2.gz BIHUZFVFFDIWRS-UHFFFAOYSA-N 1 0 255.431 2.871 50 0 CFAARO COc1ccc2ccccc2c1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000151120280 378297362 /nfs/dbraw/zinc/29/73/62/378297362.db2.gz XQLVZESUFOJTKS-INIZCTEOSA-N 1 0 298.386 2.607 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCn1cnnc1C1CC1 ZINC000152588787 378431148 /nfs/dbraw/zinc/43/11/48/378431148.db2.gz BOGFYYRZCJJFCH-UKRRQHHQSA-N 1 0 274.412 2.738 50 0 CFAARO Fc1cc(Cl)ccc1C[NH2+]CCCn1cccn1 ZINC000160888344 378808499 /nfs/dbraw/zinc/80/84/99/378808499.db2.gz KXLTYENGHGOEOK-UHFFFAOYSA-N 1 0 267.735 2.856 50 0 CFAARO C[C@@]1([NH2+]Cc2sccc2Br)CCOC1 ZINC000165013061 379032397 /nfs/dbraw/zinc/03/23/97/379032397.db2.gz LJDDVDXMJGAGGT-SNVBAGLBSA-N 1 0 276.199 2.779 50 0 CFAARO CC(C)c1nc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)no1 ZINC000169676338 379108166 /nfs/dbraw/zinc/10/81/66/379108166.db2.gz DJMKTRBVAXLKJY-ZDUSSCGKSA-N 1 0 273.336 2.601 50 0 CFAARO CC(=O)O[C@@H]1CC[N@@H+](CCc2ccccc2)[C@@H](C)[C@@H]1C ZINC000169712917 379108905 /nfs/dbraw/zinc/10/89/05/379108905.db2.gz YNNDIBSJMPQCKB-GRDNDAEWSA-N 1 0 275.392 2.891 50 0 CFAARO CC(C)CN1CCN(c2cc[nH+]c3ccccc32)[C@@H](C)C1=O ZINC000170601062 379125274 /nfs/dbraw/zinc/12/52/74/379125274.db2.gz JKIZSKLDVCMIJU-AWEZNQCLSA-N 1 0 297.402 2.928 50 0 CFAARO CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000170639690 379132345 /nfs/dbraw/zinc/13/23/45/379132345.db2.gz BLBNAZJJUPUYML-GFCCVEGCSA-N 1 0 268.401 2.728 50 0 CFAARO O=C1CC2(CC[NH2+]CC2)Oc2ccc(Br)cc21 ZINC000002563899 284782392 /nfs/dbraw/zinc/78/23/92/284782392.db2.gz HTOKNOIQHUEHNB-UHFFFAOYSA-N 1 0 296.164 2.537 50 0 CFAARO CN(C(=O)C[N@@H+]1CCC2(CCCC2)C1)c1ccccc1 ZINC000174268721 379855343 /nfs/dbraw/zinc/85/53/43/379855343.db2.gz OYJZPXMCXLXZGD-UHFFFAOYSA-N 1 0 272.392 2.916 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCN(C(=O)C(C)C)C1 ZINC000409421006 380958742 /nfs/dbraw/zinc/95/87/42/380958742.db2.gz VZPOLLHRLGZRQH-CYBMUJFWSA-N 1 0 275.396 2.573 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000409420946 380959943 /nfs/dbraw/zinc/95/99/43/380959943.db2.gz KDUYQZVDPZMXSO-ZDUSSCGKSA-N 1 0 287.407 2.718 50 0 CFAARO CC[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)c1ccccc1 ZINC000408519170 380935944 /nfs/dbraw/zinc/93/59/44/380935944.db2.gz LNHWCGYCWFUNTN-IIAWOOMASA-N 1 0 274.408 2.909 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2)cn1 ZINC000408520868 380937904 /nfs/dbraw/zinc/93/79/04/380937904.db2.gz MUDHPXAFYJDCHR-ZDUSSCGKSA-N 1 0 256.349 2.811 50 0 CFAARO CN(C)C(=O)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000408524812 380940600 /nfs/dbraw/zinc/94/06/00/380940600.db2.gz ZNJBYVWBUGQZRX-UHFFFAOYSA-N 1 0 297.402 2.502 50 0 CFAARO COC(=O)c1ccc(C[n+]2ccc3ccccc3c2)cc1 ZINC000000164277 169559911 /nfs/dbraw/zinc/55/99/11/169559911.db2.gz YHVKUVHPMDKNSU-UHFFFAOYSA-N 1 0 278.331 2.962 50 0 CFAARO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccccc1 ZINC000182404975 381084132 /nfs/dbraw/zinc/08/41/32/381084132.db2.gz VRIKBHQGLZJQFN-KRWDZBQOSA-N 1 0 297.402 2.929 50 0 CFAARO O=C1CCCN1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000069900707 296319026 /nfs/dbraw/zinc/31/90/26/296319026.db2.gz FDPCTMZWSHINNV-QGZVFWFLSA-N 1 0 290.382 2.879 50 0 CFAARO OC[C@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccnc1 ZINC000342284723 381246270 /nfs/dbraw/zinc/24/62/70/381246270.db2.gz RIJJDRKIADMQRI-AWEZNQCLSA-N 1 0 299.349 2.568 50 0 CFAARO CCOc1ccc(C2[N+](=O)C(C)(C)N(O)C2(C)C)cc1 ZINC000000201559 169572876 /nfs/dbraw/zinc/57/28/76/169572876.db2.gz GXALIGNWQIKDKL-UHFFFAOYSA-N 1 0 278.352 2.604 50 0 CFAARO COc1cc(C[NH+]2CCCCCC2)cc2c1OCO2 ZINC000000210002 169575478 /nfs/dbraw/zinc/57/54/78/169575478.db2.gz YKRUIYHKAGQILD-UHFFFAOYSA-N 1 0 263.337 2.800 50 0 CFAARO CC[N@@H+]1CCOc2ccc([C@@H](O)CC(C)C)cc2C1 ZINC000299759365 382044689 /nfs/dbraw/zinc/04/46/89/382044689.db2.gz GQZRWWMJMIUQQD-HNNXBMFYSA-N 1 0 263.381 2.980 50 0 CFAARO Cc1cc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000299776897 382046497 /nfs/dbraw/zinc/04/64/97/382046497.db2.gz MXLAOFVNAKKHPE-AWEZNQCLSA-N 1 0 291.370 2.836 50 0 CFAARO CN(Cc1cccc2cnccc21)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000299773788 382046561 /nfs/dbraw/zinc/04/65/61/382046561.db2.gz FSOZRZYTUFWZPM-CQSZACIVSA-N 1 0 297.402 2.583 50 0 CFAARO C[C@@H]1CC[C@@H](C[NH+]2CCC(Cc3cccnc3)CC2)O1 ZINC000376997509 382200953 /nfs/dbraw/zinc/20/09/53/382200953.db2.gz MKVUBWNENOBWNR-PBHICJAKSA-N 1 0 274.408 2.904 50 0 CFAARO CC(C)[NH+]1CCN(CCCSc2ccccn2)CC1 ZINC000188211549 382368935 /nfs/dbraw/zinc/36/89/35/382368935.db2.gz AWPIDLWLPMRDTP-UHFFFAOYSA-N 1 0 279.453 2.590 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)o1 ZINC000188411275 382409638 /nfs/dbraw/zinc/40/96/38/382409638.db2.gz LXWRFQGWSZLAHJ-CYBMUJFWSA-N 1 0 259.353 2.703 50 0 CFAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2ccc3c[nH]nc3c2)C1 ZINC000071762339 184575147 /nfs/dbraw/zinc/57/51/47/184575147.db2.gz ZJFOTERVNAXQGN-AWEZNQCLSA-N 1 0 295.390 2.948 50 0 CFAARO Cn1cncc1C[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189514794 382618458 /nfs/dbraw/zinc/61/84/58/382618458.db2.gz YEIQPEAVFCCDHG-JKSUJKDBSA-N 1 0 269.392 2.921 50 0 CFAARO CSCCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192897118 382713440 /nfs/dbraw/zinc/71/34/40/382713440.db2.gz PCHKZVUMDKVVKX-UHFFFAOYSA-N 1 0 292.448 2.652 50 0 CFAARO C1=CO[C@H](C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)CC1 ZINC000194047487 382733654 /nfs/dbraw/zinc/73/36/54/382733654.db2.gz DUNZPVYKNSQESN-IRXDYDNUSA-N 1 0 295.423 2.729 50 0 CFAARO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1Cl ZINC000195451133 382768373 /nfs/dbraw/zinc/76/83/73/382768373.db2.gz VPHYCYZOQVJNSP-WCQYABFASA-N 1 0 253.773 2.899 50 0 CFAARO CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000195543357 382769398 /nfs/dbraw/zinc/76/93/98/382769398.db2.gz PQULKIUNZJSOJX-LLVKDONJSA-N 1 0 264.369 2.779 50 0 CFAARO C[C@@H]1CN(Cc2ccc([S@](C)=O)cc2)C[C@H](C)S1 ZINC000195548087 382769689 /nfs/dbraw/zinc/76/96/89/382769689.db2.gz UOWZZLSSSRINAO-IUUKEHGRSA-N 1 0 283.462 2.750 50 0 CFAARO c1ccc(C[NH+]2CCN(c3ccc(C4CC4)nn3)CC2)cc1 ZINC000575608898 382775691 /nfs/dbraw/zinc/77/56/91/382775691.db2.gz PWURCHDJNWJAKW-UHFFFAOYSA-N 1 0 294.402 2.676 50 0 CFAARO Cc1noc([C@@H](C)N(C)Cc2cc(C[NH+](C)C)cs2)n1 ZINC000215539789 382779216 /nfs/dbraw/zinc/77/92/16/382779216.db2.gz HZUVYTULSAQRSE-SNVBAGLBSA-N 1 0 294.424 2.694 50 0 CFAARO [NH3+][C@@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000215647284 382779680 /nfs/dbraw/zinc/77/96/80/382779680.db2.gz WOHRPWZNUCJABI-CQSZACIVSA-N 1 0 260.381 2.541 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1coc2ccccc12 ZINC000215662876 382779892 /nfs/dbraw/zinc/77/98/92/382779892.db2.gz PIYIGCLXJVGERK-GFCCVEGCSA-N 1 0 272.348 2.647 50 0 CFAARO Cc1cccc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000215618223 382779943 /nfs/dbraw/zinc/77/99/43/382779943.db2.gz VTXDCMFQXRPPMT-SFHVURJKSA-N 1 0 281.403 2.879 50 0 CFAARO C[N@@H+](Cc1cccc(Cn2cccn2)c1)C[C@@H]1CCCCO1 ZINC000215837950 382780873 /nfs/dbraw/zinc/78/08/73/382780873.db2.gz AUNWCZOBLPYJPI-SFHVURJKSA-N 1 0 299.418 2.932 50 0 CFAARO COC[C@@H]1CC[N@H+](C/C=C/c2ccc(OC)cc2)C1 ZINC000216198574 382782704 /nfs/dbraw/zinc/78/27/04/382782704.db2.gz AEZAIKLJAIYQAU-NHZBNJEXSA-N 1 0 261.365 2.677 50 0 CFAARO C[C@@H](c1ccon1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000216453396 382783628 /nfs/dbraw/zinc/78/36/28/382783628.db2.gz HIQBNTOCJUDOCK-NSHDSACASA-N 1 0 274.320 2.639 50 0 CFAARO C[C@@H](CC[N@@H+]1CCOC[C@@]12CCOC2)c1ccccc1 ZINC000195010423 382759346 /nfs/dbraw/zinc/75/93/46/382759346.db2.gz BWWAZDMPKBZJHE-RDJZCZTQSA-N 1 0 275.392 2.672 50 0 CFAARO CC[N@@H+]1CC[C@H](Nc2ccccc2COC)[C@@H](C)C1 ZINC000221870999 382799902 /nfs/dbraw/zinc/79/99/02/382799902.db2.gz ISVQEAFERUVLQD-ZFWWWQNUSA-N 1 0 262.397 2.975 50 0 CFAARO O[C@@H](c1cc2n(n1)CCCN(c1cc[nH+]cc1)C2)C1CCC1 ZINC000223314703 382805036 /nfs/dbraw/zinc/80/50/36/382805036.db2.gz FAZDWLJRCPPJEP-QGZVFWFLSA-N 1 0 298.390 2.522 50 0 CFAARO CCC(CC)(C[NH3+])NC(=O)c1cccc(OCC(C)C)c1 ZINC000225468647 382816724 /nfs/dbraw/zinc/81/67/24/382816724.db2.gz NPYHRLWPCSZELG-UHFFFAOYSA-N 1 0 292.423 2.969 50 0 CFAARO C[C@@H](C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1)c1ccccc1 ZINC000225636057 382819309 /nfs/dbraw/zinc/81/93/09/382819309.db2.gz YHRLEUCTVDAXSK-YOEHRIQHSA-N 1 0 299.418 2.959 50 0 CFAARO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc(Cl)n1 ZINC000225639758 382819410 /nfs/dbraw/zinc/81/94/10/382819410.db2.gz ZGVHFOZGICWHPV-ZYHUDNBSSA-N 1 0 254.761 2.558 50 0 CFAARO CCc1nc(C)cc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000225823425 382822318 /nfs/dbraw/zinc/82/23/18/382822318.db2.gz QXKMDTBGWJLOJP-HNNXBMFYSA-N 1 0 288.439 2.802 50 0 CFAARO Cc1nn(C)c(Cl)c1CN(C)CC[N@H+]1CCCC[C@H]1C ZINC000230144221 382856383 /nfs/dbraw/zinc/85/63/83/382856383.db2.gz BEQHSTBHQXESEZ-GFCCVEGCSA-N 1 0 298.862 2.688 50 0 CFAARO Cc1ccnc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000230147721 382856413 /nfs/dbraw/zinc/85/64/13/382856413.db2.gz JQWKXKGWVNWQGV-HOTGVXAUSA-N 1 0 295.386 2.674 50 0 CFAARO C[C@H](CC[N@@H+](C)[C@H](C)C[S@](C)=O)c1ccccc1 ZINC000230200849 382857017 /nfs/dbraw/zinc/85/70/17/382857017.db2.gz FRANEKMOHVLMRS-LBTNJELSSA-N 1 0 267.438 2.879 50 0 CFAARO Cc1ccc(-c2cc(N3CCC(C[NH3+])CC3)n[nH]2)cc1 ZINC000232319286 382868444 /nfs/dbraw/zinc/86/84/44/382868444.db2.gz USELQTMHUANZDA-UHFFFAOYSA-N 1 0 270.380 2.560 50 0 CFAARO CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237007895 382944299 /nfs/dbraw/zinc/94/42/99/382944299.db2.gz MJUIVTBTOXCHIM-ZFWWWQNUSA-N 1 0 290.407 2.527 50 0 CFAARO COc1cccc(Cl)c1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237264940 382955489 /nfs/dbraw/zinc/95/54/89/382955489.db2.gz IQRTWWWZBWUZPL-GHMZBOCLSA-N 1 0 296.798 2.548 50 0 CFAARO COc1cccc(Cl)c1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237265070 382955503 /nfs/dbraw/zinc/95/55/03/382955503.db2.gz IQRTWWWZBWUZPL-MNOVXSKESA-N 1 0 296.798 2.548 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000237436774 382960485 /nfs/dbraw/zinc/96/04/85/382960485.db2.gz FXLPGWLORPJCKS-ITVHKWEYSA-N 1 0 276.355 2.567 50 0 CFAARO CC1(C)CN(C(=O)C2CC[NH2+]CC2)c2cccc(Cl)c21 ZINC000236749751 382913194 /nfs/dbraw/zinc/91/31/94/382913194.db2.gz CYAHOPFUSYXFQY-UHFFFAOYSA-N 1 0 292.810 2.964 50 0 CFAARO Cc1ccc2cc(C(=O)N3CC[C@H]([NH3+])C[C@@H]3C)c(C)nc2c1 ZINC000237520024 382963018 /nfs/dbraw/zinc/96/30/18/382963018.db2.gz MESOFNFHJHBBLC-WFASDCNBSA-N 1 0 297.402 2.803 50 0 CFAARO CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1ccc(F)cc1 ZINC000244633246 382988903 /nfs/dbraw/zinc/98/89/03/382988903.db2.gz FZSKBHLJBAMENB-GOEBONIOSA-N 1 0 262.372 2.742 50 0 CFAARO COc1ccc2c(c1)[C@@H](C)[N@@H+](CCn1nccc1C)CC2 ZINC000244673868 382989780 /nfs/dbraw/zinc/98/97/80/382989780.db2.gz HXAYEJLKDOATQH-CQSZACIVSA-N 1 0 285.391 2.819 50 0 CFAARO CC[N@H+](Cc1cc(OC)ccn1)[C@@H]1CCOC(C)(C)C1 ZINC000244718674 382990750 /nfs/dbraw/zinc/99/07/50/382990750.db2.gz LOUTTYDXYZIUBP-CQSZACIVSA-N 1 0 278.396 2.870 50 0 CFAARO CC(C)c1nnsc1CN(C)C[C@H]1CCCCO1 ZINC000244840388 382992340 /nfs/dbraw/zinc/99/23/40/382992340.db2.gz UMKVNBHAYJSORO-LLVKDONJSA-N 1 0 269.414 2.662 50 0 CFAARO CN1CCC[C@@H]1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000244840258 382992992 /nfs/dbraw/zinc/99/29/92/382992992.db2.gz UJYJTDBDMDXKLZ-QGZVFWFLSA-N 1 0 288.435 2.762 50 0 CFAARO c1ccc(CO[C@@H]2CCC[N@@H+](C3CCSCC3)C2)nc1 ZINC000244852798 382993478 /nfs/dbraw/zinc/99/34/78/382993478.db2.gz UZEWATHUHSMVBV-MRXNPFEDSA-N 1 0 292.448 2.958 50 0 CFAARO COc1ccccc1C[C@H](C)[N@H+](C)CCc1cn[nH]c1 ZINC000244900012 382995573 /nfs/dbraw/zinc/99/55/73/382995573.db2.gz ZUJAKBWPILTSCC-ZDUSSCGKSA-N 1 0 273.380 2.524 50 0 CFAARO CC(C)[NH2+]C[C@H](O)CO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000244983913 382995803 /nfs/dbraw/zinc/99/58/03/382995803.db2.gz IXLSSBPTUXEGSB-QKPAOTATSA-N 1 0 271.445 2.823 50 0 CFAARO COCc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000339086807 383145074 /nfs/dbraw/zinc/14/50/74/383145074.db2.gz YWQGCLVEEJHZFW-CZUORRHYSA-N 1 0 263.381 2.738 50 0 CFAARO Fc1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c1 ZINC000585116171 383115011 /nfs/dbraw/zinc/11/50/11/383115011.db2.gz JQMWZGLGKQYROF-HNNXBMFYSA-N 1 0 274.343 2.644 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCn2ncnc21)[C@@H]1CC2CCC1CC2 ZINC000585117084 383115475 /nfs/dbraw/zinc/11/54/75/383115475.db2.gz QMBNCJIFOVBFIS-IIZVFWCOSA-N 1 0 274.412 2.917 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc21 ZINC000248116699 383211953 /nfs/dbraw/zinc/21/19/53/383211953.db2.gz IWAAEBDXSPBRLY-KSZLIROESA-N 1 0 298.430 2.802 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000248159014 383215994 /nfs/dbraw/zinc/21/59/94/383215994.db2.gz WSNYOBKLCDTYEX-LSDHHAIUSA-N 1 0 264.413 2.652 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000249171807 383332740 /nfs/dbraw/zinc/33/27/40/383332740.db2.gz BXCBFHSMDCOBIK-UTUOFQBUSA-N 1 0 292.345 2.706 50 0 CFAARO C[C@H](CC[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1 ZINC000249031037 383319201 /nfs/dbraw/zinc/31/92/01/383319201.db2.gz RDHRJKZXSBQHAD-RBSFLKMASA-N 1 0 297.464 2.934 50 0 CFAARO COCCC1(C[N@H+](C)[C@H]2CCOC2)CCCCC1 ZINC000252501725 383415425 /nfs/dbraw/zinc/41/54/25/383415425.db2.gz UIOIJGOMBKYYGW-AWEZNQCLSA-N 1 0 255.402 2.694 50 0 CFAARO CSCC1CC[NH+](CCCn2ccnc2C)CC1 ZINC000252502171 383415429 /nfs/dbraw/zinc/41/54/29/383415429.db2.gz UNCOHYDPOGTJOP-UHFFFAOYSA-N 1 0 267.442 2.657 50 0 CFAARO COCc1nnc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)[nH]1 ZINC000426436562 383400582 /nfs/dbraw/zinc/40/05/82/383400582.db2.gz OABKWCBUEPBNIO-LBPRGKRZSA-N 1 0 286.379 2.775 50 0 CFAARO C[C@@H](NC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1)c1c[nH]cn1 ZINC000426541657 383405041 /nfs/dbraw/zinc/40/50/41/383405041.db2.gz UWGQCPXYJUAHKL-LLVKDONJSA-N 1 0 292.427 2.534 50 0 CFAARO CC(C)Cn1c(C[NH3+])nnc1SCC[C@H]1CC1(F)F ZINC000426623022 383407744 /nfs/dbraw/zinc/40/77/44/383407744.db2.gz PZOYMVCZHUPFPN-VIFPVBQESA-N 1 0 290.383 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/nfs/dbraw/zinc/76/59/90/384765990.db2.gz OUCZXUCYKDLDRS-UHFFFAOYSA-N 1 0 287.407 2.767 50 0 CFAARO C[N@H+]([C@@H](CC(N)=O)c1ccccc1)[C@H]1C=CCCC1 ZINC000280246318 384941977 /nfs/dbraw/zinc/94/19/77/384941977.db2.gz BFOLBTPTFZXOJN-GJZGRUSLSA-N 1 0 258.365 2.644 50 0 CFAARO C[N@H+]([C@H](CC(N)=O)c1ccccc1)[C@@H]1C=CCCC1 ZINC000280246320 384942109 /nfs/dbraw/zinc/94/21/09/384942109.db2.gz BFOLBTPTFZXOJN-HUUCEWRRSA-N 1 0 258.365 2.644 50 0 CFAARO CCN1CC2(CC[NH+](C)CC2)C[C@H](c2ccccc2)C1=O ZINC000095370873 285183798 /nfs/dbraw/zinc/18/37/98/285183798.db2.gz WZPWQVABBPHHIX-MRXNPFEDSA-N 1 0 286.419 2.734 50 0 CFAARO Cc1cc(N2CCC(Cn3cccn3)CC2)cc[nH+]1 ZINC000274833854 385880144 /nfs/dbraw/zinc/88/01/44/385880144.db2.gz SYIYGZSVXQFINH-UHFFFAOYSA-N 1 0 256.353 2.503 50 0 CFAARO O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000253370361 285319459 /nfs/dbraw/zinc/31/94/59/285319459.db2.gz PTSJXVSVXNLZIF-TUKIKUTGSA-N 1 0 279.355 2.790 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccco1)c1ccccc1 ZINC000096305094 256774246 /nfs/dbraw/zinc/77/42/46/256774246.db2.gz IQDZKPUDKYCLOI-BLIJAFNYSA-N 1 0 284.359 2.712 50 0 CFAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc(Cl)cc1 ZINC000237590271 256850255 /nfs/dbraw/zinc/85/02/55/256850255.db2.gz ODYLDPRNXRPNSY-SMDDNHRTSA-N 1 0 280.799 2.611 50 0 CFAARO Cc1cc(C)c2c(ncnc2NCCCC[NH+]2CCCC2)n1 ZINC000095380888 184959979 /nfs/dbraw/zinc/95/99/79/184959979.db2.gz KYLAXAXIBZPNLT-UHFFFAOYSA-N 1 0 299.422 2.930 50 0 CFAARO CCC[N@@H+]1CCC[C@@H](CNc2ncc(CC)cn2)C1 ZINC000095368032 184955368 /nfs/dbraw/zinc/95/53/68/184955368.db2.gz PXFILULMWDLJIJ-AWEZNQCLSA-N 1 0 262.401 2.573 50 0 CFAARO C[C@@H](CNC(=O)c1ccn2c[nH+]cc2c1)Nc1ccccc1 ZINC000095449871 184989510 /nfs/dbraw/zinc/98/95/10/184989510.db2.gz OVTVIRQJVAJDMM-ZDUSSCGKSA-N 1 0 294.358 2.565 50 0 CFAARO O[C@]1(c2ccccc2)C[n+]2ccccc2N1c1ccccc1 ZINC000001468245 169708273 /nfs/dbraw/zinc/70/82/73/169708273.db2.gz ZOFDBHVBHFGUQF-IBGZPJMESA-N 1 0 289.358 2.971 50 0 CFAARO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@@H](C)c1ccccc1 ZINC000096479027 533353403 /nfs/dbraw/zinc/35/34/03/533353403.db2.gz LJCGFAIPDKYZIO-CHWSQXEVSA-N 1 0 283.437 2.591 50 0 CFAARO C[C@@H]([NH2+]Cc1ccnc(Br)c1)[C@H]1CCCOC1 ZINC000408518054 533463258 /nfs/dbraw/zinc/46/32/58/533463258.db2.gz SMQIGNWGCCKBTG-PWSUYJOCSA-N 1 0 299.212 2.749 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCOC2)CCN1Cc1ccccc1 ZINC000097016822 533658635 /nfs/dbraw/zinc/65/86/35/533658635.db2.gz GNTNSSWUMSNISO-BPQIPLTHSA-N 1 0 288.435 2.808 50 0 CFAARO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000247385973 296468234 /nfs/dbraw/zinc/46/82/34/296468234.db2.gz UYRGXYCQDHNZCI-XUWVNRHRSA-N 1 0 293.455 2.691 50 0 CFAARO C[N@H+](Cc1nnc(-c2ccco2)o1)C1CCSCC1 ZINC000243892400 131083030 /nfs/dbraw/zinc/08/30/30/131083030.db2.gz AHUKLJFXBJIECB-UHFFFAOYSA-N 1 0 279.365 2.657 50 0 CFAARO [NH3+]CC1(NC(=O)C[C@@H]2CCc3ccccc3C2)CCCC1 ZINC000262613076 131241451 /nfs/dbraw/zinc/24/14/51/131241451.db2.gz ZCVACUCIMOKHGD-CQSZACIVSA-N 1 0 286.419 2.569 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(\C)c2cccc(F)c2)C1 ZINC000269103104 132112432 /nfs/dbraw/zinc/11/24/32/132112432.db2.gz GWBVGUHBJRVLIB-SSUFTNFISA-N 1 0 290.382 2.687 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000269192821 132128452 /nfs/dbraw/zinc/12/84/52/132128452.db2.gz KWNLPRVGIXKUKS-HBNTYKKESA-N 1 0 296.773 2.532 50 0 CFAARO CCOC(=O)[C@]1(c2ccccc2)CCC=C[C@H]1[NH+](C)C ZINC000002014722 393451645 /nfs/dbraw/zinc/45/16/45/393451645.db2.gz WDEFBBTXULIOBB-WBVHZDCISA-N 1 0 273.376 2.768 50 0 world CFAARO CC(C)(C)OC(=O)N1c2ccccc2CC[C@H]1C[NH3+] ZINC000004240464 393457466 /nfs/dbraw/zinc/45/74/66/393457466.db2.gz KWPOCVIPRLCCHW-LBPRGKRZSA-N 1 0 262.353 2.702 50 0 CFAARO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)no1 ZINC000007587544 393466321 /nfs/dbraw/zinc/46/63/21/393466321.db2.gz GCZRYGRNJSGZAR-OLZOCXBDSA-N 1 0 277.368 2.576 50 0 CFAARO [NH3+]CCNC[C@H]1COC2(CCCCCCCCCCC2)O1 ZINC000019287646 393483905 /nfs/dbraw/zinc/48/39/05/393483905.db2.gz LYESBOJVXBJVBZ-INIZCTEOSA-N 1 0 298.471 2.951 50 0 CFAARO CCOC(=O)[C@H]1CC2(CCCCC2)[N@@H+]2CCC[C@@H]12 ZINC000014987483 393479216 /nfs/dbraw/zinc/47/92/16/393479216.db2.gz DUXGYQFYWPNKJS-STQMWFEESA-N 1 0 251.370 2.737 50 0 CFAARO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccccc1Cl ZINC000042335942 393551490 /nfs/dbraw/zinc/55/14/90/393551490.db2.gz SMZNDSNTBVDYAV-KCCQOBMMSA-N 1 0 271.813 2.902 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000046344830 393577934 /nfs/dbraw/zinc/57/79/34/393577934.db2.gz LJEUSUPNPMLNNP-QGZVFWFLSA-N 1 0 285.387 2.867 50 0 CFAARO Cc1cc(C)cc(C2(C(=O)N(C)Cc3nccn3C)CC2)c1 ZINC000055041647 393619283 /nfs/dbraw/zinc/61/92/83/393619283.db2.gz JJSKTUZCPFAVLE-UHFFFAOYSA-N 1 0 297.402 2.727 50 0 CFAARO Fc1cc2sc(OC3CC[NH2+]CC3)nc2c(F)c1 ZINC000061957893 393626486 /nfs/dbraw/zinc/62/64/86/393626486.db2.gz KBLUNSORIJKFNU-UHFFFAOYSA-N 1 0 270.304 2.705 50 0 CFAARO Cc1cc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)on1 ZINC000075132323 393669938 /nfs/dbraw/zinc/66/99/38/393669938.db2.gz TZTUOLOBJYWXRH-AWEZNQCLSA-N 1 0 274.368 2.670 50 0 CFAARO CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccccc1F ZINC000225561302 393768827 /nfs/dbraw/zinc/76/88/27/393768827.db2.gz YOQVJUKLNKCWKT-UHOFOFEASA-N 1 0 280.387 2.586 50 0 CFAARO c1cc(C2CC[NH+](CCCc3cccnc3)CC2)n[nH]1 ZINC000240228137 393797964 /nfs/dbraw/zinc/79/79/64/393797964.db2.gz KGPVOUJDCGOKOH-UHFFFAOYSA-N 1 0 270.380 2.617 50 0 CFAARO Oc1cccnc1C[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000239882255 393798178 /nfs/dbraw/zinc/79/81/78/393798178.db2.gz DASHTNJVKXHECX-UHFFFAOYSA-N 1 0 272.323 2.962 50 0 CFAARO COCC[N@H+](C)Cc1ccccc1-n1nc(C)cc1C ZINC000243932265 393798818 /nfs/dbraw/zinc/79/88/18/393798818.db2.gz BTWWULXIOQXTRI-UHFFFAOYSA-N 1 0 273.380 2.567 50 0 CFAARO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095999944 393814455 /nfs/dbraw/zinc/81/44/55/393814455.db2.gz FAXLANMYWHKUMS-OAHLLOKOSA-N 1 0 298.390 2.748 50 0 CFAARO CSCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000096407273 393822935 /nfs/dbraw/zinc/82/29/35/393822935.db2.gz UKTWENDUCWOZMQ-CYBMUJFWSA-N 1 0 292.448 2.691 50 0 CFAARO CC(C)[N@H+](C)CC(=O)NCc1ccccc1OC1CCC1 ZINC000096411277 393823764 /nfs/dbraw/zinc/82/37/64/393823764.db2.gz RDJJUDXCDMZKQJ-UHFFFAOYSA-N 1 0 290.407 2.574 50 0 CFAARO OCCCC[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000096421141 393828127 /nfs/dbraw/zinc/82/81/27/393828127.db2.gz MLTWKVQOZKBSNG-UHFFFAOYSA-N 1 0 270.376 2.972 50 0 CFAARO C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000246568429 393874333 /nfs/dbraw/zinc/87/43/33/393874333.db2.gz MFWHXWPFJOZKPR-QLFBSQMISA-N 1 0 293.455 2.548 50 0 CFAARO CCC[N@H+](Cc1cnc(CC)nc1)[C@@H]1CCCC[C@H]1O ZINC000252495633 393936341 /nfs/dbraw/zinc/93/63/41/393936341.db2.gz OUVDLUBDCKSYJD-HUUCEWRRSA-N 1 0 277.412 2.555 50 0 CFAARO Cc1ccccc1[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1CC1 ZINC000252499417 393936382 /nfs/dbraw/zinc/93/63/82/393936382.db2.gz SAILRKHNPQLPLC-IUODEOHRSA-N 1 0 260.381 2.512 50 0 CFAARO Cc1cn2c(n1)CC[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C2 ZINC000252510125 393937116 /nfs/dbraw/zinc/93/71/16/393937116.db2.gz ZBVOQQIZZABFRE-TZMCWYRMSA-N 1 0 271.364 2.563 50 0 CFAARO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000252668728 393937734 /nfs/dbraw/zinc/93/77/34/393937734.db2.gz FKMNKGLAXVPNMQ-JYJNAYRXSA-N 1 0 295.471 2.794 50 0 CFAARO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@H]2C1 ZINC000272486033 394029792 /nfs/dbraw/zinc/02/97/92/394029792.db2.gz VNHJRPIXLNHDGH-FZMZJTMJSA-N 1 0 293.798 2.898 50 0 CFAARO CC(C)n1ccnc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000367220124 394252198 /nfs/dbraw/zinc/25/21/98/394252198.db2.gz RCTLFLGFZFKNJT-HNNXBMFYSA-N 1 0 285.391 2.947 50 0 CFAARO COC(=O)c1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1F ZINC000286104788 394192943 /nfs/dbraw/zinc/19/29/43/394192943.db2.gz LFDMMEZFPAPCLO-NSHDSACASA-N 1 0 297.395 2.940 50 0 CFAARO C[C@@H](CCc1ccccc1F)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153413781 394283332 /nfs/dbraw/zinc/28/33/32/394283332.db2.gz HGFLBVOITBBYKM-MELADBBJSA-N 1 0 292.398 2.603 50 0 CFAARO C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)C[C@H](C)[NH2+]1 ZINC000153531718 394285899 /nfs/dbraw/zinc/28/58/99/394285899.db2.gz LIYZLANDFXWLLE-AOOOYVTPSA-N 1 0 286.828 2.543 50 0 CFAARO FC(F)(F)[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000176885908 394382097 /nfs/dbraw/zinc/38/20/97/394382097.db2.gz OHUDYXSPUDOVIR-GFCCVEGCSA-N 1 0 264.335 2.747 50 0 CFAARO CC1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1 ZINC000089929994 135060866 /nfs/dbraw/zinc/06/08/66/135060866.db2.gz UFMGOVLXSIOBCH-UHFFFAOYSA-N 1 0 273.384 2.818 50 0 CFAARO Cc1nc(N2CCC[C@H](OCc3ccccc3)C2)cc(N)[nH+]1 ZINC000091872293 135074027 /nfs/dbraw/zinc/07/40/27/135074027.db2.gz XLAGHRBBKXDCNV-HNNXBMFYSA-N 1 0 298.390 2.553 50 0 CFAARO Cc1cnccc1-c1cccc(OCC[NH+](C)C)c1 ZINC000649427596 395494128 /nfs/dbraw/zinc/49/41/28/395494128.db2.gz SLTAPEXOBAIDAI-UHFFFAOYSA-N 1 0 256.349 2.997 50 0 CFAARO CC(C)[NH+](CCNC(=O)c1scnc1Cl)C(C)C ZINC000047302290 397584881 /nfs/dbraw/zinc/58/48/81/397584881.db2.gz CBXGIJDQTIZQNH-UHFFFAOYSA-N 1 0 289.832 2.645 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC(OC)OC ZINC000408514285 397564821 /nfs/dbraw/zinc/56/48/21/397564821.db2.gz NGYFKQPGERPGNO-OAHLLOKOSA-N 1 0 279.380 2.623 50 0 CFAARO Cc1cc(C(=O)NCC[NH+]2CCC(C)CC2)c(C)s1 ZINC000046957121 397583314 /nfs/dbraw/zinc/58/33/14/397583314.db2.gz FMOCCCMOGCQITG-UHFFFAOYSA-N 1 0 280.437 2.827 50 0 CFAARO CN1CCC[C@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1=O ZINC000012072459 397538651 /nfs/dbraw/zinc/53/86/51/397538651.db2.gz TVPBRNLWOJIDEC-MRXNPFEDSA-N 1 0 292.810 2.784 50 0 CFAARO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1CCCC1 ZINC000047717532 397587763 /nfs/dbraw/zinc/58/77/63/397587763.db2.gz WMUKYYHQUUXVCA-UHFFFAOYSA-N 1 0 271.364 2.545 50 0 CFAARO COC(=O)/C(C)=C\C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000104239608 397596080 /nfs/dbraw/zinc/59/60/80/397596080.db2.gz JWQWHEMSPVGTCR-IVOILVROSA-N 1 0 289.375 2.951 50 0 CFAARO CCS[C@@H]1CC[C@]1(O)C[NH2+][C@H](C)c1ccccc1OC ZINC000108324530 397598012 /nfs/dbraw/zinc/59/80/12/397598012.db2.gz NIHUEJFMZJBJOK-WQVCFCJDSA-N 1 0 295.448 2.992 50 0 CFAARO COCc1nc2n(n1)CCC[C@@H]2[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000108460399 397598129 /nfs/dbraw/zinc/59/81/29/397598129.db2.gz KOTGXINIQKHREC-OBJOEFQTSA-N 1 0 292.427 2.674 50 0 CFAARO CO[C@H](C[NH2+][C@H]1CCO[C@@H]1C)c1ccccc1Cl ZINC000108489152 397598314 /nfs/dbraw/zinc/59/83/14/397598314.db2.gz MLDQLGJZSPEJME-DDTOSNHZSA-N 1 0 269.772 2.795 50 0 CFAARO CC(=O)c1ccc(NC[C@H](C(C)C)[NH+]2CCCC2)nc1 ZINC000663381056 413172169 /nfs/dbraw/zinc/17/21/69/413172169.db2.gz YPGLUIOMCCJTDN-OAHLLOKOSA-N 1 0 275.396 2.817 50 0 CFAARO Cc1nnc(NC[C@H](c2cccc(C)c2)[NH+](C)C)s1 ZINC000825213809 782005401 /nfs/dbraw/zinc/00/54/01/782005401.db2.gz VUKJOJLSGZAXPT-CYBMUJFWSA-N 1 0 276.409 2.870 50 0 CFAARO Cc1nc([C@@H](C)C[NH+]2CCCC2)n(-c2ccccc2F)n1 ZINC000825290797 782007686 /nfs/dbraw/zinc/00/76/86/782007686.db2.gz IDPQNZOGFGWIQC-LBPRGKRZSA-N 1 0 288.370 2.914 50 0 CFAARO Cc1ccc2c(c1)CCCN2C(=O)[C@@H]([NH3+])CC(C)C ZINC000019485976 292307643 /nfs/dbraw/zinc/30/76/43/292307643.db2.gz JVDWIITYIYHMCL-AWEZNQCLSA-N 1 0 260.381 2.648 50 0 CFAARO CSCCCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000095987923 286665712 /nfs/dbraw/zinc/66/57/12/286665712.db2.gz ZDIBZCFQUBJLKF-UPJWGTAASA-N 1 0 257.443 2.923 50 0 CFAARO C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000190570886 287098802 /nfs/dbraw/zinc/09/88/02/287098802.db2.gz QMSAQMGNPWTHRL-RDDDGLTNSA-N 1 0 290.226 2.932 50 0 CFAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(F)cc1 ZINC000002822115 169834720 /nfs/dbraw/zinc/83/47/20/169834720.db2.gz LGBCNCYVGZSQSZ-LBPRGKRZSA-N 1 0 255.333 2.609 50 0 CFAARO COCC[NH2+]CCOCCOc1cc(C(C)C)ccc1C ZINC000002980659 169846971 /nfs/dbraw/zinc/84/69/71/169846971.db2.gz OBRWVXPRYGCRHN-UHFFFAOYSA-N 1 0 295.423 2.750 50 0 CFAARO C[NH+](C)C[C@H](O)CN(c1ccccc1)c1ccccc1 ZINC000004732978 170007672 /nfs/dbraw/zinc/00/76/72/170007672.db2.gz ZZFDWKLHXCAHDS-KRWDZBQOSA-N 1 0 270.376 2.747 50 0 CFAARO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](C)C1 ZINC000004841060 170027682 /nfs/dbraw/zinc/02/76/82/170027682.db2.gz TZVJNJMOBARIOQ-CYBMUJFWSA-N 1 0 261.365 3.000 50 0 CFAARO CC[NH+](CC)CCn1cnc2c3cc(C)ccc3[nH]c2c1=O ZINC000004859831 170032391 /nfs/dbraw/zinc/03/23/91/170032391.db2.gz LUGRWCYJCYHETD-UHFFFAOYSA-N 1 0 298.390 2.528 50 0 CFAARO CCOc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000004977871 170048218 /nfs/dbraw/zinc/04/82/18/170048218.db2.gz BOUKKPILYRESDW-UHFFFAOYSA-N 1 0 262.397 2.611 50 0 CFAARO c1csc(C[NH2+]CCCSc2ncccn2)c1 ZINC000004984063 170049140 /nfs/dbraw/zinc/04/91/40/170049140.db2.gz MXZDVFHEKHRVFK-UHFFFAOYSA-N 1 0 265.407 2.810 50 0 CFAARO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000005010330 170055351 /nfs/dbraw/zinc/05/53/51/170055351.db2.gz APWHYIPFRFZGGK-SJORKVTESA-N 1 0 294.398 2.776 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)cc1C ZINC000005050830 170061133 /nfs/dbraw/zinc/06/11/33/170061133.db2.gz IOPMSOCYEHUKKP-HNNXBMFYSA-N 1 0 263.381 2.575 50 0 CFAARO COc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000005065078 170062857 /nfs/dbraw/zinc/06/28/57/170062857.db2.gz DLFXFWCGPOOVIY-UHFFFAOYSA-N 1 0 262.353 2.510 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000005073619 170064242 /nfs/dbraw/zinc/06/42/42/170064242.db2.gz HYWGFGADEKRAEB-INIZCTEOSA-N 1 0 277.408 2.775 50 0 CFAARO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1 ZINC000005171587 170073193 /nfs/dbraw/zinc/07/31/93/170073193.db2.gz RXEDPFOIQRFAIZ-GOEBONIOSA-N 1 0 271.360 2.777 50 0 CFAARO CN1c2ccccc2[C@@]2(CC[NH2+][C@@H]2c2ccccc2)C1=O ZINC000005248242 170079194 /nfs/dbraw/zinc/07/91/94/170079194.db2.gz MFTNZVMUWPSAGS-SJLPKXTDSA-N 1 0 278.355 2.635 50 0 CFAARO COc1ccc(NC(=O)C[C@H](C)[NH+]2CCCC2)cc1 ZINC000005662423 170125116 /nfs/dbraw/zinc/12/51/16/170125116.db2.gz XZEHGPKVLVVUBP-LBPRGKRZSA-N 1 0 262.353 2.508 50 0 CFAARO C[C@@H](O)C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000005912751 170154892 /nfs/dbraw/zinc/15/48/92/170154892.db2.gz HNHDZVLNVJHJON-CQSZACIVSA-N 1 0 271.360 2.736 50 0 CFAARO Cc1ccc(NC(=O)NCC[NH+]2CCCCC2)cc1C ZINC000006730816 170235299 /nfs/dbraw/zinc/23/52/99/170235299.db2.gz LGMTZDRXBOSIOC-UHFFFAOYSA-N 1 0 275.396 2.911 50 0 CFAARO COCC[NH2+][C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006849764 170248922 /nfs/dbraw/zinc/24/89/22/170248922.db2.gz NANQWFMTCIGHMA-CQSZACIVSA-N 1 0 298.386 2.917 50 0 CFAARO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000007384183 170281755 /nfs/dbraw/zinc/28/17/55/170281755.db2.gz FSQPZQITBAXHQI-OLZOCXBDSA-N 1 0 276.380 2.754 50 0 CFAARO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000007389284 170282535 /nfs/dbraw/zinc/28/25/35/170282535.db2.gz OTGDDZMNIRNQKG-ZDUSSCGKSA-N 1 0 276.380 2.754 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000007636289 170294493 /nfs/dbraw/zinc/29/44/93/170294493.db2.gz YFADKVPPSMOCDV-INIZCTEOSA-N 1 0 277.408 2.999 50 0 CFAARO CCOCCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000008253135 170327227 /nfs/dbraw/zinc/32/72/27/170327227.db2.gz BLOIAGXPKLNVNS-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO C[NH+](C)[C@H](CNc1cncc(Cl)n1)Cc1ccccc1 ZINC000008728172 170350415 /nfs/dbraw/zinc/35/04/15/170350415.db2.gz IGWSAEJOJINDPB-ZDUSSCGKSA-N 1 0 290.798 2.715 50 0 CFAARO O=C(NC1CC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063396 170362778 /nfs/dbraw/zinc/36/27/78/170362778.db2.gz IRRHAWNAZPSJIK-UHFFFAOYSA-N 1 0 292.810 2.831 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc(C=O)c2)C1 ZINC000009261381 170369298 /nfs/dbraw/zinc/36/92/98/170369298.db2.gz XEHJICFNDYDDQD-OKILXGFUSA-N 1 0 261.365 2.856 50 0 CFAARO O=C(NC1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009691170 170384384 /nfs/dbraw/zinc/38/43/84/170384384.db2.gz JCRRHDSQLDEWKI-UHFFFAOYSA-N 1 0 258.365 2.565 50 0 CFAARO COc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000010111088 170397690 /nfs/dbraw/zinc/39/76/90/170397690.db2.gz CHQMIXVARCDZRW-UHFFFAOYSA-N 1 0 290.407 2.691 50 0 CFAARO CC[NH+](CC)CCCC[C@@H](C(N)=O)c1ccccc1 ZINC000012411616 170486421 /nfs/dbraw/zinc/48/64/21/170486421.db2.gz YCRITHOZOPVWKM-OAHLLOKOSA-N 1 0 262.397 2.768 50 0 CFAARO COc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1C ZINC000012977762 170524458 /nfs/dbraw/zinc/52/44/58/170524458.db2.gz CKQSHNRHTLUENV-UHFFFAOYSA-N 1 0 290.407 2.606 50 0 CFAARO CCCC[NH2+]Cc1cccc(OCCOCC)c1 ZINC000019737889 170851142 /nfs/dbraw/zinc/85/11/42/170851142.db2.gz JIFPIUZWNPXQIW-UHFFFAOYSA-N 1 0 251.370 2.992 50 0 CFAARO CCCOc1c(Br)cc(C[NH2+]C)cc1OC ZINC000019776953 170860491 /nfs/dbraw/zinc/86/04/91/170860491.db2.gz KWEPKHVHVGMWKN-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO O=C(C[NH2+]C1CCCC1)Nc1ccc(Cl)cc1 ZINC000020037078 170974713 /nfs/dbraw/zinc/97/47/13/170974713.db2.gz ZVKQTYKOBWFZMP-UHFFFAOYSA-N 1 0 252.745 2.811 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cccc(O)c1 ZINC000020124420 171006767 /nfs/dbraw/zinc/00/67/67/171006767.db2.gz STEXYGTZPDZLQM-LLVKDONJSA-N 1 0 271.316 2.972 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]Cc2cccs2)cc1 ZINC000020138896 171026256 /nfs/dbraw/zinc/02/62/56/171026256.db2.gz VKSPANGYZBKVJZ-UHFFFAOYSA-N 1 0 260.362 2.996 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000248656244 289743099 /nfs/dbraw/zinc/74/30/99/289743099.db2.gz WLNBUIOEOHPPRK-MOMAJJCNSA-N 1 0 279.449 2.925 50 0 CFAARO CCN(CC[NH+](CC)CC)Cc1nc(CCC(C)C)no1 ZINC000020203823 171068681 /nfs/dbraw/zinc/06/86/81/171068681.db2.gz OMYSMCFZIKDLPU-UHFFFAOYSA-N 1 0 296.459 2.822 50 0 CFAARO O=C1CC[C@H](CC[NH2+]Cc2cccc(F)c2)N1CC1CC1 ZINC000020206311 171071501 /nfs/dbraw/zinc/07/15/01/171071501.db2.gz WMFCFPPAXPYTBI-MRXNPFEDSA-N 1 0 290.382 2.706 50 0 CFAARO [NH3+]C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000020266675 171123645 /nfs/dbraw/zinc/12/36/45/171123645.db2.gz NFLMRDKSWHCNHA-UHFFFAOYSA-N 1 0 259.180 2.917 50 0 CFAARO CCc1cc(OCCCCN2CC[NH2+]CC2)ccc1Cl ZINC000020272587 171127708 /nfs/dbraw/zinc/12/77/08/171127708.db2.gz KKPSMIPCKGGNBA-UHFFFAOYSA-N 1 0 296.842 2.967 50 0 CFAARO CC(C)(C)CN1CC[N@H+](CC2CCCCC2)C[C@@H]1CCO ZINC000020455008 171208236 /nfs/dbraw/zinc/20/82/36/171208236.db2.gz VISXZZQCSWXEJY-KRWDZBQOSA-N 1 0 296.499 2.981 50 0 CFAARO CSCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000020539303 171241410 /nfs/dbraw/zinc/24/14/10/171241410.db2.gz NCEUVMQXCDDGQA-CABCVRRESA-N 1 0 297.464 2.774 50 0 CFAARO CC(=O)c1ccccc1OCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020653300 171268695 /nfs/dbraw/zinc/26/86/95/171268695.db2.gz YRNSWJKBRZCTGV-ZIAGYGMSSA-N 1 0 291.391 2.767 50 0 CFAARO CC[C@H](C)Oc1cccc(OCCN2CCOCC2)c1 ZINC000020653269 171269182 /nfs/dbraw/zinc/26/91/82/171269182.db2.gz PZJGIZYAQQNUFB-AWEZNQCLSA-N 1 0 279.380 2.575 50 0 CFAARO C[NH+](C)CCCNc1ccc(-c2ccccc2)nn1 ZINC000020719546 171270446 /nfs/dbraw/zinc/27/04/46/171270446.db2.gz QRCJYCINANUABQ-UHFFFAOYSA-N 1 0 256.353 2.507 50 0 CFAARO Cc1nc(C[NH2+][C@H]2COc3ccccc3C2)cs1 ZINC000020774081 171271996 /nfs/dbraw/zinc/27/19/96/171271996.db2.gz QSLHFFITILCFGD-GFCCVEGCSA-N 1 0 260.362 2.545 50 0 CFAARO COCc1ccc(C[NH2+][C@H]2COc3ccccc3C2)o1 ZINC000020775834 171272105 /nfs/dbraw/zinc/27/21/05/171272105.db2.gz OQVNDYKXEVBVSQ-CYBMUJFWSA-N 1 0 273.332 2.519 50 0 CFAARO CCCOc1c(Cl)cc(C[NH2+]CCO)cc1OCC ZINC000020931831 171280772 /nfs/dbraw/zinc/28/07/72/171280772.db2.gz BTABIEOUPDFETM-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO Cc1cc(C(=O)N(C)CC[NH+]2CCC(C)CC2)c(C)o1 ZINC000020994134 171283537 /nfs/dbraw/zinc/28/35/37/171283537.db2.gz ZSAHCBGXOZQXSW-UHFFFAOYSA-N 1 0 278.396 2.700 50 0 CFAARO CC[N@H+](CCNC(=O)CCn1cccc1)Cc1ccccc1 ZINC000021016702 171289924 /nfs/dbraw/zinc/28/99/24/171289924.db2.gz OWMDYPAHVZEQNF-UHFFFAOYSA-N 1 0 299.418 2.517 50 0 CFAARO COc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000021578316 171317008 /nfs/dbraw/zinc/31/70/08/171317008.db2.gz LWQQFJYEZAFZPR-AWEZNQCLSA-N 1 0 290.407 2.576 50 0 CFAARO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1c(C)noc1C ZINC000021720093 171320437 /nfs/dbraw/zinc/32/04/37/171320437.db2.gz ILTCDPCRPMIKRD-AWEZNQCLSA-N 1 0 274.368 2.670 50 0 CFAARO CC[NH+](CC)CCNc1ccc(Br)cn1 ZINC000021805625 171327337 /nfs/dbraw/zinc/32/73/37/171327337.db2.gz MLAHKVJMGQVNMJ-UHFFFAOYSA-N 1 0 272.190 2.598 50 0 CFAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000022216170 171375839 /nfs/dbraw/zinc/37/58/39/171375839.db2.gz VTOJUZHJWUBFJD-QGZVFWFLSA-N 1 0 253.345 2.780 50 0 CFAARO c1ccc2c(c1)CC[C@@H]([NH2+]CCN1CCCCC1)C2 ZINC000022455702 171388442 /nfs/dbraw/zinc/38/84/42/171388442.db2.gz UDUZDPWMLYUVTF-QGZVFWFLSA-N 1 0 258.409 2.619 50 0 CFAARO CC(C)Oc1cccc(C[NH2+]CCCCCO)c1 ZINC000026482962 171487360 /nfs/dbraw/zinc/48/73/60/171487360.db2.gz TVOIQHNVZFNIEZ-UHFFFAOYSA-N 1 0 251.370 2.726 50 0 CFAARO Cc1cccc(COc2ccccc2C[NH2+]CCO)c1 ZINC000033440398 171800511 /nfs/dbraw/zinc/80/05/11/171800511.db2.gz RATCUFIQAISOHM-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO CCOCCn1c2ccccc2nc1C1CC[NH2+]CC1 ZINC000034160220 171833116 /nfs/dbraw/zinc/83/31/16/171833116.db2.gz YBJXRWANRTYCJE-UHFFFAOYSA-N 1 0 273.380 2.540 50 0 CFAARO CC[NH2+][C@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000035542296 172250269 /nfs/dbraw/zinc/25/02/69/172250269.db2.gz UCBLGCWQRIKADO-INIZCTEOSA-N 1 0 254.333 2.715 50 0 CFAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)occ1O ZINC000036352953 172625304 /nfs/dbraw/zinc/62/53/04/172625304.db2.gz VPSQQIADKHIZPR-UHFFFAOYSA-N 1 0 299.370 2.800 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)C(C)(C)C(F)F ZINC000657917297 414050059 /nfs/dbraw/zinc/05/00/59/414050059.db2.gz BYXZZPISZZQOBB-VXGBXAGGSA-N 1 0 298.381 2.715 50 0 CFAARO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)C(C)(C)C(F)F ZINC000657929560 414059946 /nfs/dbraw/zinc/05/99/46/414059946.db2.gz ZAGCOKVRVJHIPZ-WPRPVWTQSA-N 1 0 257.328 2.536 50 0 CFAARO CC1(C)[C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@@H]2CCC[C@@H]21 ZINC000658015869 414104590 /nfs/dbraw/zinc/10/45/90/414104590.db2.gz STPARFYNLSCYDB-XUWVNRHRSA-N 1 0 274.408 2.572 50 0 CFAARO [NH3+]Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000037750023 173672173 /nfs/dbraw/zinc/67/21/73/173672173.db2.gz ARPRABPLZJXOLM-LBPRGKRZSA-N 1 0 286.297 2.560 50 0 CFAARO C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037808147 173750935 /nfs/dbraw/zinc/75/09/35/173750935.db2.gz ZULWZSSTAOFZLW-NWDGAFQWSA-N 1 0 280.799 2.859 50 0 CFAARO O=C(CC1CCCC1)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037915934 173849824 /nfs/dbraw/zinc/84/98/24/173849824.db2.gz OBLAGZFHYOSJSH-OAHLLOKOSA-N 1 0 264.413 2.557 50 0 CFAARO CN(C[C@H]1CCc2ccccc21)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659384416 414514814 /nfs/dbraw/zinc/51/48/14/414514814.db2.gz LDWQPNCBCWNJII-OAHLLOKOSA-N 1 0 298.430 2.836 50 0 CFAARO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)nc(C)n1 ZINC000659849200 414586771 /nfs/dbraw/zinc/58/67/71/414586771.db2.gz OJFIQRVIZDTYRZ-OAHLLOKOSA-N 1 0 297.406 2.571 50 0 CFAARO CCc1ccc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)cc1 ZINC000039518812 174169343 /nfs/dbraw/zinc/16/93/43/174169343.db2.gz LGMHSZBOUWEOPO-GOSISDBHSA-N 1 0 290.451 2.526 50 0 CFAARO CC(C)CCNC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000040049895 174185253 /nfs/dbraw/zinc/18/52/53/174185253.db2.gz YTHKHUJLAHMHPE-MRXNPFEDSA-N 1 0 274.408 2.768 50 0 CFAARO NC(=O)c1ccc(C[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC000040059787 174185712 /nfs/dbraw/zinc/18/57/12/174185712.db2.gz CCWJGXLEJXFVPB-UHFFFAOYSA-N 1 0 294.398 2.993 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/c1cccc(F)c1 ZINC000040107542 174192275 /nfs/dbraw/zinc/19/22/75/174192275.db2.gz ZPVQWWFWPSTENF-MYSGNRETSA-N 1 0 290.382 2.830 50 0 CFAARO O[C@@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000040444277 174264028 /nfs/dbraw/zinc/26/40/28/174264028.db2.gz ZENRVYWDMJQWJZ-SFHVURJKSA-N 1 0 288.435 2.670 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C[C@H]1C=CCC1)c1cccs1 ZINC000040465379 174274487 /nfs/dbraw/zinc/27/44/87/174274487.db2.gz YTOLMDGCMLCHAO-QWHCGFSZSA-N 1 0 278.421 2.823 50 0 CFAARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000040468383 174276830 /nfs/dbraw/zinc/27/68/30/174276830.db2.gz MEOHIDVLNYPLIV-CHWSQXEVSA-N 1 0 292.423 2.957 50 0 CFAARO CSc1ncccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000040480834 174284607 /nfs/dbraw/zinc/28/46/07/174284607.db2.gz PKBRUXCBTPUDCI-UHFFFAOYSA-N 1 0 295.452 2.652 50 0 CFAARO C[N@H+](Cc1cnc2ccccc2n1)[C@@H]1CCSC1 ZINC000660128115 414667192 /nfs/dbraw/zinc/66/71/92/414667192.db2.gz JQHYDKCQJDZEBE-GFCCVEGCSA-N 1 0 259.378 2.567 50 0 CFAARO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OC(C)C ZINC000040728681 174387987 /nfs/dbraw/zinc/38/79/87/174387987.db2.gz KYRARGIOGQSLNB-AWEZNQCLSA-N 1 0 281.396 2.733 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]CCCO ZINC000040743746 174390791 /nfs/dbraw/zinc/39/07/91/174390791.db2.gz WHHSIGOMFDWOMQ-UHFFFAOYSA-N 1 0 257.761 2.599 50 0 CFAARO CCOc1c(C[NH2+]CCCCO)cc(Cl)cc1OC ZINC000040744176 174391280 /nfs/dbraw/zinc/39/12/80/174391280.db2.gz YAGFDPQOESYGDT-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO OCCCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000040744135 174391292 /nfs/dbraw/zinc/39/12/92/174391292.db2.gz WUENDEBDTXDBRP-UHFFFAOYSA-N 1 0 263.312 2.948 50 0 CFAARO Fc1cc(Br)ccc1C[NH2+]CCn1cccn1 ZINC000042351647 174692718 /nfs/dbraw/zinc/69/27/18/174692718.db2.gz SWLRPTXOHBKFQH-UHFFFAOYSA-N 1 0 298.159 2.575 50 0 CFAARO CCN(CC)c1cccc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000042775595 174873675 /nfs/dbraw/zinc/87/36/75/174873675.db2.gz UUALKZXJXLFPTO-CQSZACIVSA-N 1 0 262.397 2.911 50 0 CFAARO FC(F)Oc1ccccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044684994 175231200 /nfs/dbraw/zinc/23/12/00/175231200.db2.gz BSOSWRDCWCHELF-LBPRGKRZSA-N 1 0 282.334 2.614 50 0 CFAARO Cc1ccc(C[N@H+](C)CCn2c(=O)oc3ccccc32)o1 ZINC000044910512 175275516 /nfs/dbraw/zinc/27/55/16/175275516.db2.gz XHBWWGYGELBQHV-UHFFFAOYSA-N 1 0 286.331 2.628 50 0 CFAARO CC(C)C[N@H+](Cc1nc(-c2ccco2)no1)C1CC1 ZINC000045751666 175382962 /nfs/dbraw/zinc/38/29/62/175382962.db2.gz BZHGNONUDYOTMG-UHFFFAOYSA-N 1 0 261.325 2.950 50 0 CFAARO CCCC[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000045944818 175387407 /nfs/dbraw/zinc/38/74/07/175387407.db2.gz KXIMOGZJTGGHCX-UHFFFAOYSA-N 1 0 258.369 2.855 50 0 CFAARO CCCn1cc(C[NH2+][C@@H](CC)CO)c2ccccc21 ZINC000045945197 175387977 /nfs/dbraw/zinc/38/79/77/175387977.db2.gz HUCRSNOGMSBVKA-AWEZNQCLSA-N 1 0 260.381 2.912 50 0 CFAARO O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CCCCC1 ZINC000046089355 175392836 /nfs/dbraw/zinc/39/28/36/175392836.db2.gz KNDJSPZNMFAPGY-AWEZNQCLSA-N 1 0 278.421 2.898 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Nc1ccncc1)c1ccsc1 ZINC000046346810 175396255 /nfs/dbraw/zinc/39/62/55/175396255.db2.gz LHQBMAYRXDWZJK-CYBMUJFWSA-N 1 0 290.392 2.568 50 0 CFAARO O=C(NCCC[NH+]1CCCCCC1)c1cc(F)ccc1F ZINC000052840671 175539240 /nfs/dbraw/zinc/53/92/40/175539240.db2.gz UGVNXTLBKCDMAI-UHFFFAOYSA-N 1 0 296.361 2.961 50 0 CFAARO COc1ccc(NC(=O)C[N@H+](C)C2CCCC2)c(OC)c1 ZINC000053814169 175551018 /nfs/dbraw/zinc/55/10/18/175551018.db2.gz YYDQTHIGJRLVCQ-UHFFFAOYSA-N 1 0 292.379 2.517 50 0 CFAARO CCC[C@@H](C)C[NH+]1CCC(Cn2cc(COC)nn2)CC1 ZINC000055283804 175575257 /nfs/dbraw/zinc/57/52/57/175575257.db2.gz OUUUUYXSZCCELX-CQSZACIVSA-N 1 0 294.443 2.573 50 0 CFAARO COc1cccc([C@H]2[NH2+]CC[C@]23c2ccccc2NC3=O)c1 ZINC000062001346 175660045 /nfs/dbraw/zinc/66/00/45/175660045.db2.gz FZBOBMBMYJZHKX-AEFFLSMTSA-N 1 0 294.354 2.620 50 0 CFAARO COc1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1F ZINC000065465193 175740936 /nfs/dbraw/zinc/74/09/36/175740936.db2.gz LWUMAXLIWOSGHG-UHFFFAOYSA-N 1 0 289.354 2.937 50 0 CFAARO Cc1ccc(C)c(CNc2cc(CC[NH3+])nc(C)n2)c1 ZINC000067789393 175791650 /nfs/dbraw/zinc/79/16/50/175791650.db2.gz OPCZSYOPSDKQNB-UHFFFAOYSA-N 1 0 270.380 2.515 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)CC2=CCCCC2)C1 ZINC000067833774 175795667 /nfs/dbraw/zinc/79/56/67/175795667.db2.gz YZKUYRJIYHOXQT-OAHLLOKOSA-N 1 0 264.413 2.723 50 0 CFAARO COc1cccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000068250073 175808035 /nfs/dbraw/zinc/80/80/35/175808035.db2.gz ODWBLGCHHARANH-UHFFFAOYSA-N 1 0 298.386 2.687 50 0 CFAARO Cc1ccc([C@@H]2C[C@H]2C(=O)NCC(C)(C)[NH+](C)C)s1 ZINC000071186373 176060279 /nfs/dbraw/zinc/06/02/79/176060279.db2.gz FEDUINDZNUEXEU-VXGBXAGGSA-N 1 0 280.437 2.616 50 0 CFAARO O=C(c1ccc(-c2cccc3c2CC[NH2+]C3)o1)N1CCCC1 ZINC000071524264 176194161 /nfs/dbraw/zinc/19/41/61/176194161.db2.gz JISUMSBDEFPHQR-UHFFFAOYSA-N 1 0 296.370 2.828 50 0 CFAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1csc(C(C)C)n1 ZINC000071748034 176258907 /nfs/dbraw/zinc/25/89/07/176258907.db2.gz NXUOWWNUKRPZPZ-GFCCVEGCSA-N 1 0 283.441 2.598 50 0 CFAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1cccc2cnccc21 ZINC000071746745 176259031 /nfs/dbraw/zinc/25/90/31/176259031.db2.gz NALLVUKGZLAKKO-MRXNPFEDSA-N 1 0 285.391 2.567 50 0 CFAARO C[C@H](Cc1ccccc1)NNCCC[NH+]1CCCCC1 ZINC000071771328 176262514 /nfs/dbraw/zinc/26/25/14/176262514.db2.gz DOWCWZDHMGCIOH-MRXNPFEDSA-N 1 0 275.440 2.588 50 0 CFAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3CC3)C2)CC1 ZINC000071799621 176265703 /nfs/dbraw/zinc/26/57/03/176265703.db2.gz AUWKONKVKPQJSV-INIZCTEOSA-N 1 0 293.455 2.550 50 0 CFAARO O=C(Nc1ccc2[nH]ccc2c1)NC1CC[NH+](C2CC2)CC1 ZINC000071803345 176266655 /nfs/dbraw/zinc/26/66/55/176266655.db2.gz ZCXHOUDSZXSHFY-UHFFFAOYSA-N 1 0 298.390 2.916 50 0 CFAARO C[C@@H]1CCC[C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000071803451 176266752 /nfs/dbraw/zinc/26/67/52/176266752.db2.gz IJAAWNWLOOADRG-GDBMZVCRSA-N 1 0 295.471 2.796 50 0 CFAARO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000071834731 176273681 /nfs/dbraw/zinc/27/36/81/176273681.db2.gz HULVBHXKYFOQRW-CQSZACIVSA-N 1 0 285.391 2.724 50 0 CFAARO CCC(C)(C)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000071855252 176278089 /nfs/dbraw/zinc/27/80/89/176278089.db2.gz BMBNAOXYIOUTTM-UHFFFAOYSA-N 1 0 292.423 2.679 50 0 CFAARO Cc1cc(C[NH2+]CCn2cccn2)c2ccccc2n1 ZINC000071857531 176278771 /nfs/dbraw/zinc/27/87/71/176278771.db2.gz FNBHTZZFOUNBAF-UHFFFAOYSA-N 1 0 266.348 2.530 50 0 CFAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000071878778 176287329 /nfs/dbraw/zinc/28/73/29/176287329.db2.gz FYQDWDBNHBLJNW-INIZCTEOSA-N 1 0 284.407 2.812 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000071880490 176287465 /nfs/dbraw/zinc/28/74/65/176287465.db2.gz GRVCQGMQKIEZQR-IAGOWNOFSA-N 1 0 290.382 2.801 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000071880457 176287960 /nfs/dbraw/zinc/28/79/60/176287960.db2.gz MVOGMYJZMQVPMI-JKSUJKDBSA-N 1 0 292.448 2.766 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2cc[nH]c2c1 ZINC000071883378 176289362 /nfs/dbraw/zinc/28/93/62/176289362.db2.gz CINPDYLWWYGXQT-OAHLLOKOSA-N 1 0 297.402 2.915 50 0 CFAARO Fc1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000072085884 176314189 /nfs/dbraw/zinc/31/41/89/176314189.db2.gz MJNVBAPLPFJJSM-INIZCTEOSA-N 1 0 262.372 2.886 50 0 CFAARO CC(C)c1nccc(C[NH+]2CCC3(CCCO3)CC2)n1 ZINC000072143203 176323818 /nfs/dbraw/zinc/32/38/18/176323818.db2.gz LYXXUBNAMAMJEW-UHFFFAOYSA-N 1 0 275.396 2.745 50 0 CFAARO C[NH2+]Cc1cc(-c2ccnc3[nH]ccc32)ccc1OC ZINC000072154424 176327776 /nfs/dbraw/zinc/32/77/76/176327776.db2.gz NMTFBJLGMICWOT-UHFFFAOYSA-N 1 0 267.332 2.958 50 0 CFAARO CC[C@@H]1CN(Cc2cnn(C)c2C2CC2)CC[N@@H+]1C(C)C ZINC000072168540 176332644 /nfs/dbraw/zinc/33/26/44/176332644.db2.gz MNCGUEXDKWRMKO-MRXNPFEDSA-N 1 0 290.455 2.602 50 0 CFAARO COC[C@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000072304857 176365864 /nfs/dbraw/zinc/36/58/64/176365864.db2.gz RBBDGXIARXXLSQ-INIZCTEOSA-N 1 0 298.430 2.992 50 0 CFAARO O=C(C[N@@H+]1CC[C@H]1Cc1ccccc1)N1CCCCCC1 ZINC000072311982 176367416 /nfs/dbraw/zinc/36/74/16/176367416.db2.gz HRGSICGNQYNWJT-KRWDZBQOSA-N 1 0 286.419 2.706 50 0 CFAARO Fc1cccc(C[N@H+](CCC2OCCCO2)C2CC2)c1 ZINC000072312060 176367587 /nfs/dbraw/zinc/36/75/87/176367587.db2.gz PZYXCMQGHUEICR-UHFFFAOYSA-N 1 0 279.355 2.943 50 0 CFAARO CC[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000072312055 176367597 /nfs/dbraw/zinc/36/75/97/176367597.db2.gz BTTIJSGYPDLENX-AWEZNQCLSA-N 1 0 270.380 2.889 50 0 CFAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000072411172 176398201 /nfs/dbraw/zinc/39/82/01/176398201.db2.gz AKRYVJUJMXMZBJ-KRWDZBQOSA-N 1 0 291.435 2.737 50 0 CFAARO O[C@@H](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000077300400 177250698 /nfs/dbraw/zinc/25/06/98/177250698.db2.gz WTSVUPYQPMOVRE-SFHVURJKSA-N 1 0 282.387 2.902 50 0 CFAARO CCn1cc(C[N@@H+]2CCC[C@H](CCCOC)C2)cn1 ZINC000077554160 177280802 /nfs/dbraw/zinc/28/08/02/177280802.db2.gz VCXAHXSMXZNQEL-CQSZACIVSA-N 1 0 265.401 2.542 50 0 CFAARO OC1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000078371391 177335789 /nfs/dbraw/zinc/33/57/89/177335789.db2.gz QGFCLKABMPDUJG-UHFFFAOYSA-N 1 0 292.398 2.819 50 0 CFAARO CN(C)c1cccc(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000078552658 177353219 /nfs/dbraw/zinc/35/32/19/177353219.db2.gz JOJCPYGGAODRHT-UHFFFAOYSA-N 1 0 284.359 2.771 50 0 CFAARO CC(C)(C)C[N@H+](CCCO)Cc1ccnc(Cl)c1 ZINC000078611590 177360078 /nfs/dbraw/zinc/36/00/78/177360078.db2.gz XDCKNFDXBSVFQM-UHFFFAOYSA-N 1 0 270.804 2.966 50 0 CFAARO CCCN(CC[NH+](C)C)C(=O)c1sc(C(C)C)nc1C ZINC000078710652 177374784 /nfs/dbraw/zinc/37/47/84/177374784.db2.gz UCXWQSAOTQPNKJ-UHFFFAOYSA-N 1 0 297.468 2.989 50 0 CFAARO Cc1ccc(NC(=O)NCCc2cn3c(n2)CCCC3)cc1 ZINC000032796857 260145568 /nfs/dbraw/zinc/14/55/68/260145568.db2.gz UZELYOXLYLQZTQ-UHFFFAOYSA-N 1 0 298.390 2.892 50 0 CFAARO O=C(Nc1ccccc1C[NH+]1CCCC1)C1CCOCC1 ZINC000827763771 782045307 /nfs/dbraw/zinc/04/53/07/782045307.db2.gz NZWBNLNEHNEONG-UHFFFAOYSA-N 1 0 288.391 2.648 50 0 CFAARO CC[C@H]([NH3+])C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000177970427 273749545 /nfs/dbraw/zinc/74/95/45/273749545.db2.gz QSPOTVYNAFDNEQ-MSOLQXFVSA-N 1 0 294.398 2.898 50 0 CFAARO COCCC[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095498434 274019429 /nfs/dbraw/zinc/01/94/29/274019429.db2.gz FDXXMTACKXYOAR-CQSZACIVSA-N 1 0 263.381 2.596 50 0 CFAARO COc1cc2c3c(c1OC)-c1cc(O)ccc1C[C@H]3[NH2+]CC2 ZINC000019550899 274102586 /nfs/dbraw/zinc/10/25/86/274102586.db2.gz KUECBJOPWMRHEX-CQSZACIVSA-N 1 0 297.354 2.819 50 0 biogenic,in-vitro CFAARO COc1cc2c(cc1O)[C@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000000896120 274102686 /nfs/dbraw/zinc/10/26/86/274102686.db2.gz LVVKXRQZSRUVPY-HNNXBMFYSA-N 1 0 285.343 2.536 50 0 in-vivo CFAARO Cc1cc2occ(C(=O)N[C@@H]3CC[NH2+]C3(C)C)c2cc1C ZINC000331747503 274730803 /nfs/dbraw/zinc/73/08/03/274730803.db2.gz ZFKRCBJUXYQXHK-OAHLLOKOSA-N 1 0 286.375 2.920 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](/C=C/c2ccccc2)N1 ZINC000001408178 274943300 /nfs/dbraw/zinc/94/33/00/274943300.db2.gz YKEVULXNKMWCPY-AUECHBEKSA-N 1 0 289.342 2.798 50 0 CFAARO O=c1cc(N2CCC([NH+]3CCCC3)CC2)c2ccccc2o1 ZINC000006243814 275043822 /nfs/dbraw/zinc/04/38/22/275043822.db2.gz UUGLTRUIGAAUCX-UHFFFAOYSA-N 1 0 298.386 2.858 50 0 CFAARO O[C@]1(C[NH2+]Cc2ccccc2)CCc2ccccc21 ZINC000055063170 275060168 /nfs/dbraw/zinc/06/01/68/275060168.db2.gz WRJOWPQILQKSBJ-KRWDZBQOSA-N 1 0 253.345 2.610 50 0 CFAARO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc(Br)cc1 ZINC000071611542 275657344 /nfs/dbraw/zinc/65/73/44/275657344.db2.gz MUNRNSNAMPPKAP-SKDRFNHKSA-N 1 0 272.186 2.869 50 0 CFAARO Brc1ccc[nH+]c1NN1CCCCC1 ZINC000095081213 275713983 /nfs/dbraw/zinc/71/39/83/275713983.db2.gz AIJYPPAUDCAQCA-UHFFFAOYSA-N 1 0 256.147 2.657 50 0 CFAARO CC(C)[NH2+][C@@H](C)[C@@H](O)c1ccc(Br)cc1 ZINC000071611544 275967281 /nfs/dbraw/zinc/96/72/81/275967281.db2.gz MUNRNSNAMPPKAP-JOYOIKCWSA-N 1 0 272.186 2.869 50 0 CFAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(F)cc1C ZINC000040103540 276112443 /nfs/dbraw/zinc/11/24/43/276112443.db2.gz QKYZKEBTHOBLKL-LBPRGKRZSA-N 1 0 281.375 2.986 50 0 CFAARO CC[NH+]1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000016602998 276149872 /nfs/dbraw/zinc/14/98/72/276149872.db2.gz RZALMIYDNOCVLY-UHFFFAOYSA-N 1 0 290.451 2.803 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000003684253 276320757 /nfs/dbraw/zinc/32/07/57/276320757.db2.gz CEVZKGVNGGYUKK-AWEZNQCLSA-N 1 0 280.437 2.829 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1Cl ZINC000122562033 277028096 /nfs/dbraw/zinc/02/80/96/277028096.db2.gz NZTWKKWBAUVXMS-VIFPVBQESA-N 1 0 287.190 2.817 50 0 CFAARO CC(C)(C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129746176 277129927 /nfs/dbraw/zinc/12/99/27/277129927.db2.gz ZNHSGCQAQCNOHD-GHMZBOCLSA-N 1 0 294.361 2.859 50 0 CFAARO CC(C)(C)CC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089969618 277140022 /nfs/dbraw/zinc/14/00/22/277140022.db2.gz UYUJHTPMSICNFZ-UHFFFAOYSA-N 1 0 253.308 2.812 50 0 CFAARO CNC(=S)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000013732224 277262673 /nfs/dbraw/zinc/26/26/73/277262673.db2.gz OVGSCNHNTDJNQN-AWEZNQCLSA-N 1 0 283.485 2.611 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc2ccc(C)cc2nc1C ZINC000237261884 277285026 /nfs/dbraw/zinc/28/50/26/277285026.db2.gz KVZBXLWIZRAJQN-OAHLLOKOSA-N 1 0 297.402 2.676 50 0 CFAARO COC(=O)C1(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)CCCCC1 ZINC000097108665 277309368 /nfs/dbraw/zinc/30/93/68/277309368.db2.gz DUTLRXDYCLDNMG-CHWSQXEVSA-N 1 0 283.412 2.656 50 0 CFAARO COC1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CCOCC1 ZINC000097033432 277469296 /nfs/dbraw/zinc/46/92/96/277469296.db2.gz WTKTVSJMKOUNSV-MRXNPFEDSA-N 1 0 293.382 2.988 50 0 CFAARO COc1c(C[NH2+][C@@H]2C[C@@H]2c2ccc(F)cc2)c(C)nn1C ZINC000065474462 277788225 /nfs/dbraw/zinc/78/82/25/277788225.db2.gz FRBCLZQHPYMCST-UKRRQHHQSA-N 1 0 289.354 2.522 50 0 CFAARO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccccn1)C2 ZINC000090964697 277977957 /nfs/dbraw/zinc/97/79/57/277977957.db2.gz OEDCDHIJQSYBDY-TZMCWYRMSA-N 1 0 284.359 2.745 50 0 CFAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2C(C)C)c1 ZINC000014993500 278012322 /nfs/dbraw/zinc/01/23/22/278012322.db2.gz PGIMBNJBLAGBIL-OAHLLOKOSA-N 1 0 290.407 2.574 50 0 CFAARO CC(C)c1ccc(N(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000236663787 278038515 /nfs/dbraw/zinc/03/85/15/278038515.db2.gz XFJPXIJVOMWQCO-UONOGXRCSA-N 1 0 260.381 2.900 50 0 CFAARO CN(CCC(C)(C)O)C(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000827881308 782050992 /nfs/dbraw/zinc/05/09/92/782050992.db2.gz VXVINXNAXZWGKL-UHFFFAOYSA-N 1 0 298.471 2.553 50 0 CFAARO CC/C=C(\C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000046041466 278163865 /nfs/dbraw/zinc/16/38/65/278163865.db2.gz QUMCNVMVVXTKEN-YTRUQHMWSA-N 1 0 266.410 2.823 50 0 CFAARO C[C@H]1CCCC[C@H]1C[NH+]1CCN(CC(F)F)CC1 ZINC000097108442 278336970 /nfs/dbraw/zinc/33/69/70/278336970.db2.gz FJHJGGTVKJMSDS-STQMWFEESA-N 1 0 260.372 2.695 50 0 CFAARO CC(C)(C)OC(=O)N1CCCC[C@@]12CCC[NH2+]C2 ZINC000051943377 278387268 /nfs/dbraw/zinc/38/72/68/278387268.db2.gz VPLODDZAJNYXTC-AWEZNQCLSA-N 1 0 254.374 2.530 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3)n2)[C@@H]1C[NH3+] ZINC000237453533 278478560 /nfs/dbraw/zinc/47/85/60/278478560.db2.gz ZFMYGKKTHCHRJR-IUODEOHRSA-N 1 0 299.374 2.541 50 0 CFAARO CC[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000182051196 288115533 /nfs/dbraw/zinc/11/55/33/288115533.db2.gz PIZVUHKMJMEDQM-ZFWWWQNUSA-N 1 0 251.370 2.753 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005019674 279308696 /nfs/dbraw/zinc/30/86/96/279308696.db2.gz MWRYYURFNBRCQG-QFQXCOSMSA-N 1 0 290.451 2.803 50 0 CFAARO C[C@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1 ZINC000000001266 279588182 /nfs/dbraw/zinc/58/81/82/279588182.db2.gz KSMAGQUYOIHWFS-ZETCQYMHSA-N 1 0 259.136 2.762 50 0 world CFAARO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)s1 ZINC000038002114 280150715 /nfs/dbraw/zinc/15/07/15/280150715.db2.gz NVAGHGPADPQEDU-SFYZADRCSA-N 1 0 278.215 2.932 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccc2ccccc2n1 ZINC000254925314 281081426 /nfs/dbraw/zinc/08/14/26/281081426.db2.gz OTPZNUKWLABINL-SNGWPZLWSA-N 1 0 295.386 2.588 50 0 CFAARO Cc1ccc2cc(C[NH2+][C@H]3CCC(=O)NC3(C)C)ccc2n1 ZINC000338475244 281142903 /nfs/dbraw/zinc/14/29/03/281142903.db2.gz OQBIQXOCBKDFBW-INIZCTEOSA-N 1 0 297.402 2.690 50 0 CFAARO CC[C@H]([NH2+]Cc1cnnn1CC)c1cccs1 ZINC000459402531 281261827 /nfs/dbraw/zinc/26/18/27/281261827.db2.gz JXZFPTTXUVEXAM-NSHDSACASA-N 1 0 250.371 2.600 50 0 CFAARO Cc1csc(CC[NH2+]Cc2c[nH]nc2C(C)(C)C)n1 ZINC000097159566 281714376 /nfs/dbraw/zinc/71/43/76/281714376.db2.gz KVWPKYBPTXBWKB-UHFFFAOYSA-N 1 0 278.425 2.804 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000065464451 281793522 /nfs/dbraw/zinc/79/35/22/281793522.db2.gz DMKGBINGVZRDQR-CQSZACIVSA-N 1 0 275.327 2.861 50 0 CFAARO C[C@H](CCO)[NH2+][C@@H]1CCCSc2ccccc21 ZINC000095422782 289498032 /nfs/dbraw/zinc/49/80/32/289498032.db2.gz BPKNFAYAYPNBCW-DGCLKSJQSA-N 1 0 251.395 2.974 50 0 CFAARO Fc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1Br ZINC000036047745 294749821 /nfs/dbraw/zinc/74/98/21/294749821.db2.gz RNEIPFFKULXWEP-LLVKDONJSA-N 1 0 296.143 2.546 50 0 CFAARO C[C@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000078894856 300105370 /nfs/dbraw/zinc/10/53/70/300105370.db2.gz FHJRINOTVHZLKE-WFASDCNBSA-N 1 0 292.398 2.512 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@](C)([NH3+])C2CC2)C1 ZINC000299750493 302168045 /nfs/dbraw/zinc/16/80/45/302168045.db2.gz NOQLSNKRQQMYNW-PMUMKWKESA-N 1 0 286.419 2.827 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)[C@@H]2CCOC(C)(C)C2)CCCC1 ZINC000534581032 328311436 /nfs/dbraw/zinc/31/14/36/328311436.db2.gz DXOUNPCESHMLSU-CQSZACIVSA-N 1 0 296.455 2.572 50 0 CFAARO C[C@@H](CO)[NH2+]CC1(c2cccc(F)c2)CCCC1 ZINC000534632425 328332145 /nfs/dbraw/zinc/33/21/45/328332145.db2.gz XGANMPWLQBJUAS-LBPRGKRZSA-N 1 0 251.345 2.608 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCCOC2CCCC2)n1 ZINC000534639444 328335493 /nfs/dbraw/zinc/33/54/93/328335493.db2.gz USUIKNVNRJWXEM-CQSZACIVSA-N 1 0 279.428 2.827 50 0 CFAARO Cc1ccc(CC2([NH2+][C@@H](C)Cn3ccnc3)CC2)cc1 ZINC000534639509 328335536 /nfs/dbraw/zinc/33/55/36/328335536.db2.gz OZWDMCVHYJUAMY-HNNXBMFYSA-N 1 0 269.392 2.945 50 0 CFAARO O=C1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)CCN1 ZINC000534669365 328346596 /nfs/dbraw/zinc/34/65/96/328346596.db2.gz FCIHZTUFFFVWCK-ZDUSSCGKSA-N 1 0 278.783 2.587 50 0 CFAARO Cc1cccc2[nH]c(C[NH2+][C@H]3CCCSC3)nc21 ZINC000534662397 328350267 /nfs/dbraw/zinc/35/02/67/328350267.db2.gz JXPRSYYTMOGCRD-NSHDSACASA-N 1 0 261.394 2.857 50 0 CFAARO CC(C)[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)C1CC1 ZINC000097228267 323618494 /nfs/dbraw/zinc/61/84/94/323618494.db2.gz OWWXSFZQEKSSGI-AAEUAGOBSA-N 1 0 278.362 2.895 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCCCC2 ZINC000097370966 323618932 /nfs/dbraw/zinc/61/89/32/323618932.db2.gz BAMMSXSUBCJYTG-XUWVNRHRSA-N 1 0 279.424 2.641 50 0 CFAARO C[C@H]1CCC[C@H](C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000195542775 324108583 /nfs/dbraw/zinc/10/85/83/324108583.db2.gz SHXLOQGNHKKRKD-HOCLYGCPSA-N 1 0 289.423 2.504 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCC(c2nncn2C)CC1 ZINC000195575794 324109409 /nfs/dbraw/zinc/10/94/09/324109409.db2.gz XSPSGNDQEZXMNZ-HOCLYGCPSA-N 1 0 288.439 2.987 50 0 CFAARO FC(F)(F)[C@@]1(c2nc(-c3ccccc3)no2)CC[NH2+]C1 ZINC000112636181 330381741 /nfs/dbraw/zinc/38/17/41/330381741.db2.gz SIMKOTKFKJYYTR-LBPRGKRZSA-N 1 0 283.253 2.530 50 0 CFAARO [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000250657885 333248119 /nfs/dbraw/zinc/24/81/19/333248119.db2.gz WXBOUFZFJFRVCW-IRXDYDNUSA-N 1 0 252.361 2.613 50 0 CFAARO OC[C@H]1CCCC[N@@H+]1CCCNc1ccc2ccccc2n1 ZINC000828710786 782102711 /nfs/dbraw/zinc/10/27/11/782102711.db2.gz FAZQTKMOIPBNPR-MRXNPFEDSA-N 1 0 299.418 2.884 50 0 CFAARO c1ccc2c(c1)CC([NH2+]Cc1ccc3nsnc3c1)C2 ZINC000829074040 782120381 /nfs/dbraw/zinc/12/03/81/782120381.db2.gz WOCNKSHRLMGARA-UHFFFAOYSA-N 1 0 281.384 2.948 50 0 CFAARO CCCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000068048841 520413926 /nfs/dbraw/zinc/41/39/26/520413926.db2.gz MMZLGOCCZMTCCB-CYBMUJFWSA-N 1 0 271.788 2.812 50 0 CFAARO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccn(C)n1 ZINC000414059648 533902906 /nfs/dbraw/zinc/90/29/06/533902906.db2.gz WWEJDVMKUUWDTK-DZGCQCFKSA-N 1 0 288.395 2.501 50 0 CFAARO CC(C)C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000085132291 519746607 /nfs/dbraw/zinc/74/66/07/519746607.db2.gz ZWYYRMMZCRDBOP-MNOVXSKESA-N 1 0 253.308 2.716 50 0 CFAARO Fc1ccccc1[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000096493067 534532617 /nfs/dbraw/zinc/53/26/17/534532617.db2.gz DNJRUQJCVABKGN-CQSZACIVSA-N 1 0 273.355 2.902 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000165336232 522045913 /nfs/dbraw/zinc/04/59/13/522045913.db2.gz LOQDKKDXDQRTND-JTQLQIEISA-N 1 0 284.762 2.551 50 0 CFAARO COCCC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000195189371 523295185 /nfs/dbraw/zinc/29/51/85/523295185.db2.gz OIPOIFZRDAYHOF-UHFFFAOYSA-N 1 0 262.397 2.624 50 0 CFAARO C[C@H](CNC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1)c1cccs1 ZINC000221699829 524430145 /nfs/dbraw/zinc/43/01/45/524430145.db2.gz LOWZDVJSAOBSGV-FRRDWIJNSA-N 1 0 295.452 2.634 50 0 CFAARO Cc1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)nc1C ZINC000067982481 525757854 /nfs/dbraw/zinc/75/78/54/525757854.db2.gz ZWSPZHHLMOCPPP-ZDUSSCGKSA-N 1 0 254.333 2.628 50 0 CFAARO CS[C@@H]1CCC[C@H](NC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000253429759 525834761 /nfs/dbraw/zinc/83/47/61/525834761.db2.gz DFZLDJKEVSWCGB-AEGPPILISA-N 1 0 298.496 2.803 50 0 CFAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCN(C)C)o2)cc1 ZINC000019872359 525864525 /nfs/dbraw/zinc/86/45/25/525864525.db2.gz RYBLYPBCPMQXOB-CYBMUJFWSA-N 1 0 288.391 2.651 50 0 CFAARO C1=C(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCOC1 ZINC000096493475 526418641 /nfs/dbraw/zinc/41/86/41/526418641.db2.gz HDNKLVPEOASEJJ-OAGGEKHMSA-N 1 0 277.408 2.661 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)NCCc2csc3ccccc23)C1 ZINC000178429518 527369433 /nfs/dbraw/zinc/36/94/33/527369433.db2.gz LMIDOZHLOQRPTQ-WCQYABFASA-N 1 0 288.416 2.687 50 0 CFAARO CC(C)=CCC[C@@H](C)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000096479037 527416590 /nfs/dbraw/zinc/41/65/90/527416590.db2.gz XWWHMJCAMGVZBT-GFCCVEGCSA-N 1 0 261.431 2.534 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]CCNC(=O)c1ccco1 ZINC000098009381 527534963 /nfs/dbraw/zinc/53/49/63/527534963.db2.gz NNVZVEQGYUVIOD-WYMLVPIESA-N 1 0 284.359 2.703 50 0 CFAARO C/C=C/C=C\C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000098000712 527608823 /nfs/dbraw/zinc/60/88/23/527608823.db2.gz JIGWMEBXATXHDS-OQDWVOHCSA-N 1 0 270.376 2.509 50 0 CFAARO CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)N(C)C)cc1 ZINC000096491538 528328629 /nfs/dbraw/zinc/32/86/29/528328629.db2.gz BQHAXDPUOHZFSP-LBPRGKRZSA-N 1 0 280.437 2.926 50 0 CFAARO CCOC(=O)N1CCC([NH2+][C@H](CC)c2ccncc2)CC1 ZINC000096494301 528957884 /nfs/dbraw/zinc/95/78/84/528957884.db2.gz LJZNGWIEZVAFTJ-OAHLLOKOSA-N 1 0 291.395 2.743 50 0 CFAARO CC(C)NC(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000096483941 529133683 /nfs/dbraw/zinc/13/36/83/529133683.db2.gz DFBPQFJJJOCPBL-SNVBAGLBSA-N 1 0 286.778 2.872 50 0 CFAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)o1 ZINC000096455616 529227945 /nfs/dbraw/zinc/22/79/45/529227945.db2.gz VKHHLZHPLWBIOO-KGLIPLIRSA-N 1 0 269.410 2.926 50 0 CFAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000048784904 545525655 /nfs/dbraw/zinc/52/56/55/545525655.db2.gz OXFVBYVBJGTWCQ-UHFFFAOYSA-N 1 0 298.390 2.901 50 0 CFAARO C[C@@H]([NH2+]C[C@H](O)c1ccncc1)c1cc(F)cc(F)c1 ZINC000090712814 566954574 /nfs/dbraw/zinc/95/45/74/566954574.db2.gz CULNHIRAKGELHW-BMIGLBTASA-N 1 0 278.302 2.744 50 0 CFAARO COc1cc(-c2ccc([C@H](C)[NH+](C)C)cc2)nc(OC)n1 ZINC000426359122 570359612 /nfs/dbraw/zinc/35/96/12/570359612.db2.gz UXFZUPBQBKDTLD-NSHDSACASA-N 1 0 287.363 2.783 50 0 CFAARO CCOc1ccc(C[N@@H+]2CC=C[C@H]2CC)cc1CO ZINC000952986484 615510069 /nfs/dbraw/zinc/51/00/69/615510069.db2.gz YKYOKBOGQGRQLB-OAHLLOKOSA-N 1 0 261.365 2.728 50 0 CFAARO CC1CC[NH+](CCNC(=O)c2cc3c(s2)CCC3)CC1 ZINC000046956339 618325742 /nfs/dbraw/zinc/32/57/42/618325742.db2.gz GNGREYLVDOASMQ-UHFFFAOYSA-N 1 0 292.448 2.699 50 0 CFAARO CN(C)CC[NH2+]Cc1ccccc1OC1CCCC1 ZINC000020500493 618804834 /nfs/dbraw/zinc/80/48/34/618804834.db2.gz JKXNVFVZKXXUGJ-UHFFFAOYSA-N 1 0 262.397 2.659 50 0 CFAARO Cc1cc(F)c(C(=O)N2[C@@H](C)CC(C[NH3+])C[C@@H]2C)cc1F ZINC000888095686 619131011 /nfs/dbraw/zinc/13/10/11/619131011.db2.gz BNFNPRHBSGNQIO-QWRGUYRKSA-N 1 0 296.361 2.861 50 0 CFAARO OCC[C@H](C[NH2+][C@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1 ZINC000888098967 619132492 /nfs/dbraw/zinc/13/24/92/619132492.db2.gz RZDXOOJZIKRJHG-SVGFKBNWSA-N 1 0 257.377 2.707 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2c(s1)CCC2 ZINC000046858474 623104068 /nfs/dbraw/zinc/10/40/68/623104068.db2.gz SVVKMTRMZXJJPS-LBPRGKRZSA-N 1 0 292.448 2.841 50 0 CFAARO CC(C)C[C@@H](c1nc(-c2ccncc2)no1)n1ccnc1 ZINC000874435452 624452039 /nfs/dbraw/zinc/45/20/39/624452039.db2.gz SVWCVPBEVRIMDQ-ZDUSSCGKSA-N 1 0 283.335 2.964 50 0 CFAARO CC1(C)[C@H]2C[C@@H]1[C@@H](CNc1ncnc3c1CC[NH2+]C3)CC2 ZINC000067880432 624963322 /nfs/dbraw/zinc/96/33/22/624963322.db2.gz FKEWHCUHQZINKV-YRGRVCCFSA-N 1 0 286.423 2.607 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)o1 ZINC000068134236 624975711 /nfs/dbraw/zinc/97/57/11/624975711.db2.gz FSQLENOLDDSLRF-CQSZACIVSA-N 1 0 276.380 2.679 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CCCO1 ZINC000180028150 624990846 /nfs/dbraw/zinc/99/08/46/624990846.db2.gz JGBPYTACMOKCAA-GFCCVEGCSA-N 1 0 291.420 2.759 50 0 CFAARO COC1(C[NH2+]Cc2cnc3c(cnn3C(C)C)c2)CCC1 ZINC000181073296 625058853 /nfs/dbraw/zinc/05/88/53/625058853.db2.gz MLAQJCCNJPUJTO-UHFFFAOYSA-N 1 0 288.395 2.671 50 0 CFAARO Cc1ncc(CO)c(C[NH2+][C@H](C)C2=CCCCC2)c1O ZINC000952988640 626121685 /nfs/dbraw/zinc/12/16/85/626121685.db2.gz PKCLIJGKSHVFNQ-LLVKDONJSA-N 1 0 276.380 2.566 50 0 CFAARO CN1CCC([N@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000003684240 626408583 /nfs/dbraw/zinc/40/85/83/626408583.db2.gz VGJPCNBWIXJCAM-UHFFFAOYSA-N 1 0 252.789 2.866 50 0 CFAARO C[NH+]1CCC(N[C@H]2c3ccccc3CC[C@@H]2F)CC1 ZINC000863983155 637833215 /nfs/dbraw/zinc/83/32/15/637833215.db2.gz CTLSHDMWVIZOHR-HOTGVXAUSA-N 1 0 262.372 2.696 50 0 CFAARO COc1ccc([C@H](C)C[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000864087565 637867350 /nfs/dbraw/zinc/86/73/50/637867350.db2.gz VNLPOAXWHUHUMI-SECBINFHSA-N 1 0 297.305 2.909 50 0 CFAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cccc(F)c1Cl ZINC000079395417 650588006 /nfs/dbraw/zinc/58/80/06/650588006.db2.gz ANWLIYWVOVXZMQ-UHFFFAOYSA-N 1 0 296.773 2.836 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2ccc(F)cc2)n1 ZINC000952962344 650789894 /nfs/dbraw/zinc/78/98/94/650789894.db2.gz DQQIMZXBTSHMRD-ZDUSSCGKSA-N 1 0 275.371 2.860 50 0 CFAARO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc2c(c1)nc(C)n2C ZINC000952967097 650790224 /nfs/dbraw/zinc/79/02/24/650790224.db2.gz AHOSFEIYDJCLMT-UHFFFAOYSA-N 1 0 297.406 2.522 50 0 CFAARO Cc1cc2cc(NC(=O)C3([NH3+])CCCC3)ccc2o1 ZINC000952986762 650791442 /nfs/dbraw/zinc/79/14/42/650791442.db2.gz AYRQCDFQMSCWCT-UHFFFAOYSA-N 1 0 258.321 2.951 50 0 CFAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2cccs2)n1 ZINC000952983638 650791943 /nfs/dbraw/zinc/79/19/43/650791943.db2.gz QDFIUGAEDHYRJU-LBPRGKRZSA-N 1 0 263.410 2.782 50 0 CFAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1cc[nH]c1)c1ccccc1 ZINC000092784354 650924838 /nfs/dbraw/zinc/92/48/38/650924838.db2.gz LJPKBZHJNIFWDF-QGZVFWFLSA-N 1 0 297.402 2.799 50 0 CFAARO O=C(CC1CC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012835233 651133515 /nfs/dbraw/zinc/13/35/15/651133515.db2.gz BKWABNXWHKRSII-MRXNPFEDSA-N 1 0 278.440 2.947 50 0 CFAARO C[C@H]1CC[C@@H]([NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000019608775 651291762 /nfs/dbraw/zinc/29/17/62/651291762.db2.gz NCKWDNWFEUMYFJ-DOTOQJQBSA-N 1 0 258.409 2.993 50 0 CFAARO Cc1ccc(-c2cc(CN3CCC[N@@H+](C)CC3)[nH]n2)s1 ZINC000019606437 651291881 /nfs/dbraw/zinc/29/18/81/651291881.db2.gz OXJZGLXEPMCHSX-UHFFFAOYSA-N 1 0 290.436 2.584 50 0 CFAARO CCc1nc2ccccc2n1CCC[N@@H+]1CCCOCC1 ZINC000020322183 651298102 /nfs/dbraw/zinc/29/81/02/651298102.db2.gz YPUNVFDFEWJSPW-UHFFFAOYSA-N 1 0 287.407 2.711 50 0 CFAARO O=c1c2c(Cl)ccc(Cl)c2ncn1C1CC[NH2+]CC1 ZINC000032558273 779044498 /nfs/dbraw/zinc/04/44/98/779044498.db2.gz DCGHMHKYZFRHPL-UHFFFAOYSA-N 1 0 298.173 2.628 50 0 CFAARO CCCC[N@@H+]1CCCN(C2Cc3ccccc3C2)CC1 ZINC000032590523 779072629 /nfs/dbraw/zinc/07/26/29/779072629.db2.gz RRWSEJAXXZEIDM-UHFFFAOYSA-N 1 0 272.436 2.962 50 0 CFAARO C[NH+](C)[C@@H](CNc1ncnc2sccc21)c1ccccn1 ZINC000032593243 779073270 /nfs/dbraw/zinc/07/32/70/779073270.db2.gz DSXAZVZPTXUHQX-ZDUSSCGKSA-N 1 0 299.403 2.801 50 0 CFAARO CCCO[C@H]1CCCN(C[C@H]2CCCCC[N@@H+]2C)C1 ZINC000822975659 781918012 /nfs/dbraw/zinc/91/80/12/781918012.db2.gz GRQMHXSSAHAFDW-CVEARBPZSA-N 1 0 268.445 2.752 50 0 CFAARO Cc1ccccc1O[C@H](C)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000096437229 230372062 /nfs/dbraw/zinc/37/20/62/230372062.db2.gz NUZMJZXGLIIAKT-PBHICJAKSA-N 1 0 298.386 2.579 50 0 CFAARO CCC[C@@H]1CN(c2ncnc3ccsc32)C[C@H]1[NH+](C)C ZINC000082098156 177920848 /nfs/dbraw/zinc/92/08/48/177920848.db2.gz GPDNWGODAYVXSM-DGCLKSJQSA-N 1 0 290.436 2.858 50 0 CFAARO Cc1cc(Cl)cc(C)c1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000096485221 230381065 /nfs/dbraw/zinc/38/10/65/230381065.db2.gz JYGUTUGGGJJCFD-UHFFFAOYSA-N 1 0 295.814 2.590 50 0 CFAARO O=S1(=O)CCC[C@@H]([NH2+]C(C2CCCC2)C2CCCC2)C1 ZINC000096491661 230382759 /nfs/dbraw/zinc/38/27/59/230382759.db2.gz PGMKIMKZEUCZEO-OAHLLOKOSA-N 1 0 299.480 2.902 50 0 CFAARO O[C@H](COC1C2CC3CC(C2)CC1C3)C[NH+]1CCCCC1 ZINC000000289784 230365936 /nfs/dbraw/zinc/36/59/36/230365936.db2.gz IWOXKQDSRLCHQE-NFSPANSCSA-N 1 0 293.451 2.675 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000095969145 185048037 /nfs/dbraw/zinc/04/80/37/185048037.db2.gz MVBMFASRWLHWOD-RLCCDNCMSA-N 1 0 273.401 2.927 50 0 CFAARO C[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCSC1 ZINC000095976609 185050476 /nfs/dbraw/zinc/05/04/76/185050476.db2.gz TXMRBVUHIMTHTQ-INIZCTEOSA-N 1 0 287.432 2.869 50 0 CFAARO Cc1ncsc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000095978189 185052262 /nfs/dbraw/zinc/05/22/62/185052262.db2.gz NJMWCDHHGJCNBB-MWLCHTKSSA-N 1 0 266.366 2.646 50 0 CFAARO C[C@@H](C1CCC1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000095987445 185056233 /nfs/dbraw/zinc/05/62/33/185056233.db2.gz QEYXMLMKQBSMFB-LBPRGKRZSA-N 1 0 285.391 2.554 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H](C)[C@H]1CCC[C@H](C)C1 ZINC000095987507 185056785 /nfs/dbraw/zinc/05/67/85/185056785.db2.gz UGDJMGGLEZTWIH-SCRDCRAPSA-N 1 0 264.417 2.911 50 0 CFAARO COc1ccccc1CC(C)(C)[NH2+][C@H]1CCO[C@H]1C ZINC000095991244 185058805 /nfs/dbraw/zinc/05/88/05/185058805.db2.gz MFQPAGCERGYRGE-JSGCOSHPSA-N 1 0 263.381 2.783 50 0 CFAARO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000095995907 185060004 /nfs/dbraw/zinc/06/00/04/185060004.db2.gz NTNAGVAPIIEPCV-YPMHNXCESA-N 1 0 264.369 2.526 50 0 CFAARO COCCn1cc2c(n1)[C@H]([NH2+]Cc1ccccc1)CCC2 ZINC000096002704 185062031 /nfs/dbraw/zinc/06/20/31/185062031.db2.gz PEXICUFTSIJYJH-MRXNPFEDSA-N 1 0 285.391 2.697 50 0 CFAARO CCOC(=O)[C@@H]1[C@@H](C[N@H+](CCOC)[C@@H](C)C2CC2)C1(C)C ZINC000096009209 185063829 /nfs/dbraw/zinc/06/38/29/185063829.db2.gz IOTAGSUDDFIWCC-CFVMTHIKSA-N 1 0 297.439 2.569 50 0 CFAARO CCC[NH+](CCC)CCSc1nnc(C(C)(C)C)n1N ZINC000096010367 185064813 /nfs/dbraw/zinc/06/48/13/185064813.db2.gz RQTPLMCYOSDFDY-UHFFFAOYSA-N 1 0 299.488 2.504 50 0 CFAARO CCNC(=O)c1cccc(-c2ccc(F)cc2C[NH3+])c1 ZINC000096141115 185106201 /nfs/dbraw/zinc/10/62/01/185106201.db2.gz MVJYYOJTRFDEHP-UHFFFAOYSA-N 1 0 272.323 2.701 50 0 CFAARO COc1cccc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)c1 ZINC000096951879 185139538 /nfs/dbraw/zinc/13/95/38/185139538.db2.gz XZWLUFYTSDZIQZ-LBPRGKRZSA-N 1 0 257.337 2.552 50 0 CFAARO CCc1ccc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000097019740 185152782 /nfs/dbraw/zinc/15/27/82/185152782.db2.gz GSRUKZSYOZSESR-UHFFFAOYSA-N 1 0 280.371 2.684 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000097033840 185156379 /nfs/dbraw/zinc/15/63/79/185156379.db2.gz HLNWPYDVTZYJPS-MRXNPFEDSA-N 1 0 274.408 2.565 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(=O)Nc1ccccc1 ZINC000097035128 185157458 /nfs/dbraw/zinc/15/74/58/185157458.db2.gz HVNDYLGFQNUVGE-UONOGXRCSA-N 1 0 298.386 2.857 50 0 CFAARO C[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(=O)Nc1ccccc1 ZINC000097035126 185157844 /nfs/dbraw/zinc/15/78/44/185157844.db2.gz HVNDYLGFQNUVGE-KBPBESRZSA-N 1 0 298.386 2.857 50 0 CFAARO CC[C@H](CSc1ccccc1)[NH2+][C@H]1CCOC1 ZINC000096490346 529418085 /nfs/dbraw/zinc/41/80/85/529418085.db2.gz XUCITKOZEUFPRO-OLZOCXBDSA-N 1 0 251.395 2.936 50 0 CFAARO CC[N@@H+]1CC[C@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000823104910 781921642 /nfs/dbraw/zinc/92/16/42/781921642.db2.gz UNJNBHBKAVQXCY-LBPRGKRZSA-N 1 0 274.393 2.711 50 0 CFAARO OC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000300410908 539381080 /nfs/dbraw/zinc/38/10/80/539381080.db2.gz KPQVKDYAVRSKFE-YUTCNCBUSA-N 1 0 263.406 2.974 50 0 CFAARO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000090801331 539438744 /nfs/dbraw/zinc/43/87/44/539438744.db2.gz VOFSUVJUCVJWCW-GJZGRUSLSA-N 1 0 285.391 2.864 50 0 CFAARO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000072236003 539464122 /nfs/dbraw/zinc/46/41/22/539464122.db2.gz BWBNAHOSDQEWRC-LRDDRELGSA-N 1 0 274.339 2.737 50 0 CFAARO COc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000077690695 539521596 /nfs/dbraw/zinc/52/15/96/539521596.db2.gz MGNCBHCTEOROQY-AWEZNQCLSA-N 1 0 291.395 2.562 50 0 CFAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(F)cc1F)[NH2+]CC2 ZINC000004031337 346209891 /nfs/dbraw/zinc/20/98/91/346209891.db2.gz GOQPKPSSOSKRIJ-CFVMTHIKSA-N 1 0 267.319 2.921 50 0 CFAARO CC(C)=CCC[C@H](C)CC[N@@H+](C[C@@H](C)O)C[C@H](C)O ZINC000012383404 346231141 /nfs/dbraw/zinc/23/11/41/346231141.db2.gz HIJOMHQVKSILEM-HRCADAONSA-N 1 0 271.445 2.823 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000012383618 346231252 /nfs/dbraw/zinc/23/12/52/346231252.db2.gz HTQHOJCMBXAHET-GRTSSRMGSA-N 1 0 263.381 2.519 50 0 CFAARO CC(C)COc1cc(Br)ccc1C[NH3+] ZINC000037475506 346329679 /nfs/dbraw/zinc/32/96/79/346329679.db2.gz LXCNLYIHQRIHIQ-UHFFFAOYSA-N 1 0 258.159 2.943 50 0 CFAARO CC[S@@](=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000083476826 539542976 /nfs/dbraw/zinc/54/29/76/539542976.db2.gz SYKPMURMAYLKBA-JCGVRSQUSA-N 1 0 286.466 2.621 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000058874046 346651610 /nfs/dbraw/zinc/65/16/10/346651610.db2.gz XUUHWBJKVBJCFR-KFWWJZLASA-N 1 0 266.429 2.946 50 0 CFAARO O=C(N[C@H]1CCc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066176412 346749449 /nfs/dbraw/zinc/74/94/49/346749449.db2.gz UTZGPSBONYRDNX-RDJZCZTQSA-N 1 0 299.418 2.554 50 0 CFAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1 ZINC000076056489 347116557 /nfs/dbraw/zinc/11/65/57/347116557.db2.gz ORRGCMLJAALSQA-ZQIUZPCESA-N 1 0 286.419 2.984 50 0 CFAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000076057868 347117168 /nfs/dbraw/zinc/11/71/68/347117168.db2.gz BTYKJYZJTHYAEC-GXFFZTMASA-N 1 0 296.798 2.670 50 0 CFAARO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000678461008 539556064 /nfs/dbraw/zinc/55/60/64/539556064.db2.gz IEHKRAHSSHKJHF-NWDGAFQWSA-N 1 0 260.341 2.647 50 0 CFAARO Cc1ccc(CNCc2ccccc2N2CC[NH+](C)CC2)o1 ZINC000078758041 347273893 /nfs/dbraw/zinc/27/38/93/347273893.db2.gz NOKMTOBRPQSQIO-UHFFFAOYSA-N 1 0 299.418 2.630 50 0 CFAARO C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000078898056 347278800 /nfs/dbraw/zinc/27/88/00/347278800.db2.gz LFZHONMTKYDHNR-LRDDRELGSA-N 1 0 290.382 2.562 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000078898062 347278894 /nfs/dbraw/zinc/27/88/94/347278894.db2.gz LFZHONMTKYDHNR-MLGOLLRUSA-N 1 0 290.382 2.562 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000078898274 347279079 /nfs/dbraw/zinc/27/90/79/347279079.db2.gz QOSKTQWCWJTWFG-BCCPEAIHSA-N 1 0 298.430 2.936 50 0 CFAARO Cc1cnc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 ZINC000078947934 347281413 /nfs/dbraw/zinc/28/14/13/347281413.db2.gz BFPYAWIHXQWPTL-MSOLQXFVSA-N 1 0 297.402 2.873 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)[C@@H](C)C1 ZINC000084714908 347470124 /nfs/dbraw/zinc/47/01/24/347470124.db2.gz YZRWGPNTGMHPSC-SUMWQHHRSA-N 1 0 297.402 2.581 50 0 CFAARO COc1ccc([C@H]([NH2+]CC[C@@H](C)O)C(C)C)cc1 ZINC000091339924 347583098 /nfs/dbraw/zinc/58/30/98/347583098.db2.gz CLSOHIGRMBHUQT-IUODEOHRSA-N 1 0 251.370 2.753 50 0 CFAARO CCCC[NH2+]C[C@@H]1COc2ccc(Cl)cc2C1=O ZINC000096026805 347700398 /nfs/dbraw/zinc/70/03/98/347700398.db2.gz MLLXSFBWYRJPEQ-SNVBAGLBSA-N 1 0 267.756 2.921 50 0 CFAARO C[C@H]1CC([NH2+]CCC(=O)NCc2ccncc2)C[C@H](C)C1 ZINC000097229323 347707843 /nfs/dbraw/zinc/70/78/43/347707843.db2.gz ZYJAYWVYPDELHD-ZIAGYGMSSA-N 1 0 289.423 2.502 50 0 CFAARO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccncc1 ZINC000097230505 347707936 /nfs/dbraw/zinc/70/79/36/347707936.db2.gz MLRHPNGULYVWEX-KDOFPFPSSA-N 1 0 282.387 2.956 50 0 CFAARO Cn1ccnc1CC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000097238034 347708698 /nfs/dbraw/zinc/70/86/98/347708698.db2.gz MLLKSAZOUKZJEZ-AWEZNQCLSA-N 1 0 289.354 2.605 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1C ZINC000110705693 347749538 /nfs/dbraw/zinc/74/95/38/347749538.db2.gz OHTOEJUPYIGBJZ-AVGNSLFASA-N 1 0 295.379 2.528 50 0 CFAARO CC(=O)NCC[NH2+][C@H](C)Cc1c(Cl)cccc1Cl ZINC000119598810 347802869 /nfs/dbraw/zinc/80/28/69/347802869.db2.gz AVXPXZVHAIYIOF-SECBINFHSA-N 1 0 289.206 2.650 50 0 CFAARO CC[NH2+]Cc1ccccc1NC(=O)c1cccc2c1OCO2 ZINC000124520186 347824209 /nfs/dbraw/zinc/82/42/09/347824209.db2.gz CYGIBMMUUGPVED-UHFFFAOYSA-N 1 0 298.342 2.777 50 0 CFAARO CC[C@@H]([NH2+]CCC(=O)NC)c1cccc(Cl)c1F ZINC000161609822 348025355 /nfs/dbraw/zinc/02/53/55/348025355.db2.gz ICNPIXKVYANYPE-LLVKDONJSA-N 1 0 272.751 2.656 50 0 CFAARO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccnc2ccccc21 ZINC000167719972 348046446 /nfs/dbraw/zinc/04/64/46/348046446.db2.gz OJIJRUOPHLDUJH-CYBMUJFWSA-N 1 0 283.375 2.578 50 0 CFAARO C[C@H](C[NH2+]Cc1nnc(C2CC2)o1)Cc1ccccc1 ZINC000170086106 348053393 /nfs/dbraw/zinc/05/33/93/348053393.db2.gz CEYFKKOJDNXWKH-LBPRGKRZSA-N 1 0 271.364 2.915 50 0 CFAARO OC[C@H]1C=C[C@@H]([NH2+]Cc2sccc2Br)C1 ZINC000170080529 348053444 /nfs/dbraw/zinc/05/34/44/348053444.db2.gz ITMQXSHDJSLOFH-DTWKUNHWSA-N 1 0 288.210 2.537 50 0 CFAARO CCCCO[C@H](C)C(=O)N(CC)CCC[NH+](CC)CC ZINC000170607637 348056726 /nfs/dbraw/zinc/05/67/26/348056726.db2.gz RNGGPVWSZSCZOG-OAHLLOKOSA-N 1 0 286.460 2.772 50 0 CFAARO CN(C(=O)CCCCCC[NH3+])c1ccc(F)c(F)c1 ZINC000170677498 348059453 /nfs/dbraw/zinc/05/94/53/348059453.db2.gz DHJDFXGJKKFHMR-UHFFFAOYSA-N 1 0 270.323 2.837 50 0 CFAARO CCCc1nc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cs1 ZINC000183120995 348126379 /nfs/dbraw/zinc/12/63/79/348126379.db2.gz VNPQPSBOJZHYCA-JQWIXIFHSA-N 1 0 254.399 2.753 50 0 CFAARO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000195570178 348146970 /nfs/dbraw/zinc/14/69/70/348146970.db2.gz WEJDQLLTRKFMFB-GARJFASQSA-N 1 0 280.334 2.612 50 0 CFAARO Cc1ccc2cc(C[N@@H+]3CC[C@](C)(CO)C3)ccc2n1 ZINC000225481564 348177633 /nfs/dbraw/zinc/17/76/33/348177633.db2.gz BSQXNAIDVGVICJ-KRWDZBQOSA-N 1 0 270.376 2.748 50 0 CFAARO Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)cc1Cl ZINC000225585413 348178328 /nfs/dbraw/zinc/17/83/28/348178328.db2.gz PXHPMBAXAJQNMK-CQSZACIVSA-N 1 0 253.773 2.853 50 0 CFAARO COC1(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CCOCC1 ZINC000225569917 348178464 /nfs/dbraw/zinc/17/84/64/348178464.db2.gz GBXXBNCFFVBWGK-MELADBBJSA-N 1 0 255.402 2.596 50 0 CFAARO CCC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1nnc2ccccn21 ZINC000225584298 348178762 /nfs/dbraw/zinc/17/87/62/348178762.db2.gz VHCXXNPGDSJSIY-UONOGXRCSA-N 1 0 286.379 2.853 50 0 CFAARO C[N@H+](CCC(=O)NCc1ccc(F)cc1)CC1CCCC1 ZINC000072583757 539616781 /nfs/dbraw/zinc/61/67/81/539616781.db2.gz BGUUWUXZIDZKQG-UHFFFAOYSA-N 1 0 292.398 2.954 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000409421108 348600307 /nfs/dbraw/zinc/60/03/07/348600307.db2.gz JGSGOMLXRSZSEI-AWEZNQCLSA-N 1 0 285.347 2.749 50 0 CFAARO Cc1cnccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000397539055 348561567 /nfs/dbraw/zinc/56/15/67/348561567.db2.gz SXANPLQXUDTUAO-UHFFFAOYSA-N 1 0 285.347 2.673 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]C2CSCCSC2)cn1 ZINC000584887046 348727220 /nfs/dbraw/zinc/72/72/20/348727220.db2.gz SYSJOANGMVBMRV-LLVKDONJSA-N 1 0 268.451 2.889 50 0 CFAARO C[C@@H](CO)C1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000584886246 348727353 /nfs/dbraw/zinc/72/73/53/348727353.db2.gz KQPGYZDKDAEXQX-JTQLQIEISA-N 1 0 257.761 2.773 50 0 CFAARO CCc1nc(C[NH2+]C2CSCCSC2)cs1 ZINC000584885675 348727421 /nfs/dbraw/zinc/72/74/21/348727421.db2.gz BMGPTUSOGXEWDL-UHFFFAOYSA-N 1 0 274.480 2.644 50 0 CFAARO OC1(CC[NH2+][C@@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000584889001 348727824 /nfs/dbraw/zinc/72/78/24/348727824.db2.gz XCBKLEPODGWOFB-OAHLLOKOSA-N 1 0 274.408 2.550 50 0 CFAARO CC(C)n1cnnc1CC[NH2+][C@H]1CCc2ccccc2C1 ZINC000584889232 348728223 /nfs/dbraw/zinc/72/82/23/348728223.db2.gz MHRIQQTXDGNARB-INIZCTEOSA-N 1 0 284.407 2.549 50 0 CFAARO Cc1cccc2nc(C[NH2+][C@H]3CCCSC3)cn21 ZINC000584892799 348729015 /nfs/dbraw/zinc/72/90/15/348729015.db2.gz OHSRDWLDZAAIRM-LBPRGKRZSA-N 1 0 261.394 2.628 50 0 CFAARO Cc1nccn1CC[NH2+]C1CCN(c2cccc(C)c2)CC1 ZINC000584896679 348730977 /nfs/dbraw/zinc/73/09/77/348730977.db2.gz RLKAZXJGDXDUTQ-UHFFFAOYSA-N 1 0 298.434 2.759 50 0 CFAARO Clc1ccc2[nH]c(C[NH2+][C@H]3CCSC3)nc2c1 ZINC000584898548 348731506 /nfs/dbraw/zinc/73/15/06/348731506.db2.gz QYHLIFAXLIMMMB-VIFPVBQESA-N 1 0 267.785 2.811 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCCOC2)c2cccnc12 ZINC000584900277 348731961 /nfs/dbraw/zinc/73/19/61/348731961.db2.gz WEABMDXUSFCJJM-CQSZACIVSA-N 1 0 256.349 2.812 50 0 CFAARO c1ccc2c(c1)CC[C@H]([NH2+]CCc1nc(C3CC3)no1)C2 ZINC000584902768 348732809 /nfs/dbraw/zinc/73/28/09/348732809.db2.gz ZSGMHQDBMSHBAX-HNNXBMFYSA-N 1 0 283.375 2.637 50 0 CFAARO C[C@H](CN1CCCCCC1)[NH2+]CCc1nccs1 ZINC000584903565 348732917 /nfs/dbraw/zinc/73/29/17/348732917.db2.gz MGJNPTOELALGAQ-CYBMUJFWSA-N 1 0 267.442 2.540 50 0 CFAARO CCCOC1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000584904632 348733624 /nfs/dbraw/zinc/73/36/24/348733624.db2.gz SWSSDVBQQMTKOS-INIZCTEOSA-N 1 0 262.397 2.577 50 0 CFAARO COc1ccc([C@@H]([NH2+]C2CCOCC2)c2ccncc2)cc1 ZINC000584904111 348733850 /nfs/dbraw/zinc/73/38/50/348733850.db2.gz GCWWFNYKEKVAPC-GOSISDBHSA-N 1 0 298.386 2.948 50 0 CFAARO COc1cccc(C)c1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000585140354 348736586 /nfs/dbraw/zinc/73/65/86/348736586.db2.gz CPKLXLUPVDUKCP-UONOGXRCSA-N 1 0 262.397 2.576 50 0 CFAARO c1nc(-c2cccc(C[NH2+]C[C@H]3CC=CCC3)c2)n[nH]1 ZINC000089780862 179865137 /nfs/dbraw/zinc/86/51/37/179865137.db2.gz OQQKWVXVJLBAIT-ZDUSSCGKSA-N 1 0 268.364 2.918 50 0 CFAARO c1ccc(CC[NH+]2CCC(Nc3ccncn3)CC2)cc1 ZINC000091620394 180208744 /nfs/dbraw/zinc/20/87/44/180208744.db2.gz QAPUDQAKDUGTOG-UHFFFAOYSA-N 1 0 282.391 2.596 50 0 CFAARO Cc1ccsc1CN1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091519102 180177344 /nfs/dbraw/zinc/17/73/44/180177344.db2.gz AQGTVNNZRYJKIJ-QWHCGFSZSA-N 1 0 250.411 2.583 50 0 CFAARO Cc1oc(C(C)C)cc1C(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091536110 180182556 /nfs/dbraw/zinc/18/25/56/180182556.db2.gz YMFMRGWGPDYMDS-KGLIPLIRSA-N 1 0 276.380 2.521 50 0 CFAARO CSCCC[N@@H+]1CC[C@H](Cc2cccc(CO)c2)C1 ZINC000091551490 180189348 /nfs/dbraw/zinc/18/93/48/180189348.db2.gz VDAOIUREZWIVDS-OAHLLOKOSA-N 1 0 279.449 2.796 50 0 CFAARO c1ccc(CC[N@@H+]2CCC[C@H](CNc3ncccn3)C2)cc1 ZINC000091644852 180214635 /nfs/dbraw/zinc/21/46/35/180214635.db2.gz QGJNJLAOFKHNCN-QGZVFWFLSA-N 1 0 296.418 2.843 50 0 CFAARO Cc1cccc(C[N@@H+]2CCC[C@](CO)(CC3CC3)C2)n1 ZINC000091707435 180230739 /nfs/dbraw/zinc/23/07/39/180230739.db2.gz NFLQMNNDAUOERO-KRWDZBQOSA-N 1 0 274.408 2.765 50 0 CFAARO CC1=C(CC[NH+]2CCN(CCO)CC2)C(C)(C)CCC1 ZINC000019608634 539783387 /nfs/dbraw/zinc/78/33/87/539783387.db2.gz JSPALGREUCORJK-UHFFFAOYSA-N 1 0 280.456 2.513 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)cc1F ZINC000091745841 180245291 /nfs/dbraw/zinc/24/52/91/180245291.db2.gz DICGTWNYIMCEHP-INIZCTEOSA-N 1 0 281.371 2.817 50 0 CFAARO [NH3+][C@H]1CN(C(=O)CCCCc2ccccc2)C[C@@H]1C1CC1 ZINC000091876605 180278939 /nfs/dbraw/zinc/27/89/39/180278939.db2.gz SNQIPOCYMVZABV-SJORKVTESA-N 1 0 286.419 2.595 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(F)c2)C1 ZINC000092101741 180326066 /nfs/dbraw/zinc/32/60/66/180326066.db2.gz UYDUVFDVWWTGGZ-ZDUSSCGKSA-N 1 0 298.789 2.779 50 0 CFAARO CCC[NH+]1CCC(N(C)Cc2cccc(O)c2)CC1 ZINC000092165793 180336295 /nfs/dbraw/zinc/33/62/95/180336295.db2.gz OSRVTFRALUDGBG-UHFFFAOYSA-N 1 0 262.397 2.698 50 0 CFAARO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c1ccco1 ZINC000106586046 186128482 /nfs/dbraw/zinc/12/84/82/186128482.db2.gz RVQXOCUAEIUFDP-VXGBXAGGSA-N 1 0 266.385 2.823 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000107154057 186160735 /nfs/dbraw/zinc/16/07/35/186160735.db2.gz UZXVDGWSLMCHLK-RISCZKNCSA-N 1 0 252.427 2.875 50 0 CFAARO Cc1ccc(-c2ncc(CN3CC[NH2+][C@H](C)C3)s2)cc1 ZINC000092457293 180389864 /nfs/dbraw/zinc/38/98/64/180389864.db2.gz ZEMIKTNAVWLYTN-CYBMUJFWSA-N 1 0 287.432 2.912 50 0 CFAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000110642523 186308572 /nfs/dbraw/zinc/30/85/72/186308572.db2.gz XKCGMGUBELMIQY-VXGBXAGGSA-N 1 0 297.424 2.528 50 0 CFAARO CS[C@@H]1CC[C@H]([N@H+](C)CCc2ccccn2)C1 ZINC000110641754 186308749 /nfs/dbraw/zinc/30/87/49/186308749.db2.gz DDVOAZYJRPWPPT-UONOGXRCSA-N 1 0 250.411 2.840 50 0 CFAARO O=C1CCCN1CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000606441012 351269966 /nfs/dbraw/zinc/26/99/66/351269966.db2.gz FLQYHCCYMNXOPI-QXPKXGMISA-N 1 0 284.403 2.787 50 0 CFAARO CC1(C)[C@@H]([NH2+]CCCn2ccnn2)C[C@H]1c1ccccc1 ZINC000124073972 187120880 /nfs/dbraw/zinc/12/08/80/187120880.db2.gz GFVGLTCLJPGYBN-HOTGVXAUSA-N 1 0 284.407 2.840 50 0 CFAARO Cc1cc(C(=O)N2CCCC[C@H]2C[NH3+])c(C)n1C(C)C ZINC000130938348 187531066 /nfs/dbraw/zinc/53/10/66/187531066.db2.gz OECWUXASHTXCDI-AWEZNQCLSA-N 1 0 277.412 2.639 50 0 CFAARO O=C(CCC1CC[NH2+]CC1)N[C@H]1CCc2ccc(F)cc21 ZINC000155535472 188212721 /nfs/dbraw/zinc/21/27/21/188212721.db2.gz BVQPOASFVPHAPS-INIZCTEOSA-N 1 0 290.382 2.709 50 0 CFAARO FC(F)(F)c1ccccc1C[NH2+]CCn1cccn1 ZINC000048449570 282925184 /nfs/dbraw/zinc/92/51/84/282925184.db2.gz UTYJVPOUUBJDCV-UHFFFAOYSA-N 1 0 269.270 2.692 50 0 CFAARO OC1(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000162597421 188579633 /nfs/dbraw/zinc/57/96/33/188579633.db2.gz RJDJLNDPZRNWSN-IAGOWNOFSA-N 1 0 289.419 2.844 50 0 CFAARO CS[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000685939768 540020840 /nfs/dbraw/zinc/02/08/40/540020840.db2.gz YNFCDEDDAJWDDE-RYMFRWLXSA-N 1 0 267.438 2.818 50 0 CFAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCc2ccc(Cl)cc2C1 ZINC000237054384 540025732 /nfs/dbraw/zinc/02/57/32/540025732.db2.gz IACNNXRTEPOUFE-IINYFYTJSA-N 1 0 280.799 2.598 50 0 CFAARO CCC[NH+]1CCC(Nc2ccc3cn[nH]c3c2)CC1 ZINC000004009683 540065138 /nfs/dbraw/zinc/06/51/38/540065138.db2.gz VEWNVSGUYKYRKY-UHFFFAOYSA-N 1 0 258.369 2.849 50 0 CFAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@H]2C)cc1 ZINC000083823669 540184553 /nfs/dbraw/zinc/18/45/53/540184553.db2.gz ZQPJJSLVBZHOMH-CXAGYDPISA-N 1 0 274.408 2.596 50 0 CFAARO CCn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2cccs2)cn1 ZINC000083843546 540185303 /nfs/dbraw/zinc/18/53/03/540185303.db2.gz LRGLZXQWEDNZBI-DOMZBBRYSA-N 1 0 291.420 2.832 50 0 CFAARO c1nnc(C[NH2+][C@H]2CCCSCC2)n1-c1ccccc1 ZINC000585093615 540461700 /nfs/dbraw/zinc/46/17/00/540461700.db2.gz NNSKYMOEIGOULC-ZDUSSCGKSA-N 1 0 288.420 2.643 50 0 CFAARO C[C@H](c1ccncc1)[NH+]1CCC(n2ccnc2)CC1 ZINC000169984109 540550160 /nfs/dbraw/zinc/55/01/60/540550160.db2.gz OADXKOGIJVDXRV-CYBMUJFWSA-N 1 0 256.353 2.676 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(n2cccc2)CC1 ZINC000084789191 540685302 /nfs/dbraw/zinc/68/53/02/540685302.db2.gz NURUVKFVJUKGPW-MRXNPFEDSA-N 1 0 289.423 2.526 50 0 CFAARO COC(=O)N1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000095420817 540724481 /nfs/dbraw/zinc/72/44/81/540724481.db2.gz JLZKKHAUMRETRC-LRDDRELGSA-N 1 0 288.391 2.740 50 0 CFAARO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C2CCC2)C[C@@H]1C ZINC000095397740 540724826 /nfs/dbraw/zinc/72/48/26/540724826.db2.gz YKLWOBFFFWQBEX-CWRNSKLLSA-N 1 0 293.455 2.833 50 0 CFAARO CN1CC[N@H+](C)Cc2ccc(NC(=O)C3CCCC3)cc21 ZINC000095986349 540725738 /nfs/dbraw/zinc/72/57/38/540725738.db2.gz UUOJBBAFRLBSBE-UHFFFAOYSA-N 1 0 287.407 2.697 50 0 CFAARO C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)c2ccccc21 ZINC000095971056 540726073 /nfs/dbraw/zinc/72/60/73/540726073.db2.gz JMIJFBYIZVXSID-BBRMVZONSA-N 1 0 280.371 2.707 50 0 CFAARO CC[N@@H+]1CC[C@H](Nc2ccc3n[nH]cc3c2)[C@H](C)C1 ZINC000095991595 540726525 /nfs/dbraw/zinc/72/65/25/540726525.db2.gz PDVOUWPOYAPCIJ-RISCZKNCSA-N 1 0 258.369 2.705 50 0 CFAARO CN1C[C@@H]([NH2+][C@@H]2CCCSc3ccccc32)CCC1=O ZINC000089374905 540717876 /nfs/dbraw/zinc/71/78/76/540717876.db2.gz QBTZOLBIOYGTKE-GXTWGEPZSA-N 1 0 290.432 2.824 50 0 CFAARO C/C(=C\C(=O)N1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000178554373 189126665 /nfs/dbraw/zinc/12/66/65/189126665.db2.gz SFMNKXXIJXRKDL-YTRUQHMWSA-N 1 0 278.783 2.551 50 0 CFAARO C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(Br)cc1 ZINC000584907715 540935264 /nfs/dbraw/zinc/93/52/64/540935264.db2.gz OGGULJMAOCFYFK-ZJUUUORDSA-N 1 0 299.212 2.576 50 0 CFAARO COc1cccc(CN2CCCC[C@]2(C)C(N)=O)c1Cl ZINC000585094332 540937889 /nfs/dbraw/zinc/93/78/89/540937889.db2.gz KWVRNXSANDUDAR-OAHLLOKOSA-N 1 0 296.798 2.579 50 0 CFAARO Cc1nn(C)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000179962643 189229488 /nfs/dbraw/zinc/22/94/88/189229488.db2.gz QXZXFBCLNBQTGN-UHFFFAOYSA-N 1 0 261.291 2.503 50 0 CFAARO Cc1oc(C)c(C(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000013020658 540930901 /nfs/dbraw/zinc/93/09/01/540930901.db2.gz NOTRTFLSSVUWSC-UHFFFAOYSA-N 1 0 278.396 2.807 50 0 CFAARO c1c[nH]c([C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)n1 ZINC000670439682 540995069 /nfs/dbraw/zinc/99/50/69/540995069.db2.gz PIFLWDRUDVBTGW-HNNXBMFYSA-N 1 0 267.376 2.757 50 0 CFAARO COc1ccc(C[N@H+](C)CC[C@H]2CCOC2)cc1OC ZINC000670439700 540995405 /nfs/dbraw/zinc/99/54/05/540995405.db2.gz FIQBVNQEWPIYBX-ZDUSSCGKSA-N 1 0 279.380 2.562 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CCc2ccccc2)C1 ZINC000299739058 540984760 /nfs/dbraw/zinc/98/47/60/540984760.db2.gz JYXOHKUVMRLYMQ-BBWFWOEESA-N 1 0 286.419 2.738 50 0 CFAARO CCC[C@]1(CO)CCC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC000670465567 541005815 /nfs/dbraw/zinc/00/58/15/541005815.db2.gz IVYPQURGRAPLBG-KRWDZBQOSA-N 1 0 287.407 2.938 50 0 CFAARO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3oc(C)cc3c2)C1 ZINC000670467790 541007419 /nfs/dbraw/zinc/00/74/19/541007419.db2.gz PYLVTZFZHZKMKS-OAHLLOKOSA-N 1 0 286.375 2.955 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000670474374 541011878 /nfs/dbraw/zinc/01/18/78/541011878.db2.gz SQQHUDHQUMCAQI-TXTHVTMNSA-N 1 0 261.365 2.555 50 0 CFAARO Cc1ccc(S[C@@H](C)C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000428140380 239389702 /nfs/dbraw/zinc/38/97/02/239389702.db2.gz FTPUXOHMWBVGBN-ZDUSSCGKSA-N 1 0 292.448 2.591 50 0 CFAARO CNC(=O)CCC[N@H+](C)Cc1ccc(C)c(Cl)c1 ZINC000194018552 189652993 /nfs/dbraw/zinc/65/29/93/189652993.db2.gz ICTLWDQGAGNDBZ-UHFFFAOYSA-N 1 0 268.788 2.606 50 0 CFAARO NC(=O)CCC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000216474549 189704160 /nfs/dbraw/zinc/70/41/60/189704160.db2.gz SQKKHNLSJZQODI-UHFFFAOYSA-N 1 0 285.391 2.645 50 0 CFAARO C[NH2+]Cc1cc(-c2ccc(Br)c(F)c2)n[nH]1 ZINC000685948942 541457536 /nfs/dbraw/zinc/45/75/36/541457536.db2.gz HBCZRKUHXRORSQ-UHFFFAOYSA-N 1 0 284.132 2.698 50 0 CFAARO C[N@@H+]1C[C@@H](C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751606 189778032 /nfs/dbraw/zinc/77/80/32/189778032.db2.gz ZUTKUMRHLZENHR-IAGOWNOFSA-N 1 0 280.371 2.971 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C(C)C)C(C)(C)O)cc1F ZINC000276592459 193393419 /nfs/dbraw/zinc/39/34/19/193393419.db2.gz DQOUHPDHGMLZOU-AWEZNQCLSA-N 1 0 269.360 2.719 50 0 CFAARO Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000000064564 371522283 /nfs/dbraw/zinc/52/22/83/371522283.db2.gz IZHVEZVQCSIWCJ-OAHLLOKOSA-N 1 0 263.381 2.529 50 0 CFAARO [NH3+]C(COCc1ccccc1)COCc1ccccc1 ZINC000000097135 371530020 /nfs/dbraw/zinc/53/00/20/371530020.db2.gz XBONHXKSOWDIRQ-UHFFFAOYSA-N 1 0 271.360 2.747 50 0 CFAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000124629 371535495 /nfs/dbraw/zinc/53/54/95/371535495.db2.gz JBZCAAUCFLMBPV-OAHLLOKOSA-N 1 0 273.376 2.968 50 0 CFAARO COc1cc(NC(=O)CC[NH+]2CCCCC2)cc(OC)c1 ZINC000000176426 371550193 /nfs/dbraw/zinc/55/01/93/371550193.db2.gz ZWPASDXYJGLHBG-UHFFFAOYSA-N 1 0 292.379 2.518 50 0 CFAARO CCC[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1 ZINC000000182396 371551601 /nfs/dbraw/zinc/55/16/01/371551601.db2.gz JPXZWXZAHSVNBJ-UHFFFAOYSA-N 1 0 278.396 2.990 50 0 CFAARO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2CO)cc1C ZINC000000215037 371561128 /nfs/dbraw/zinc/56/11/28/371561128.db2.gz KDZAROCPKYHUQS-OAHLLOKOSA-N 1 0 263.381 2.659 50 0 CFAARO COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1C ZINC000000240838 371565887 /nfs/dbraw/zinc/56/58/87/371565887.db2.gz UFVUZDYUIQTGKG-UHFFFAOYSA-N 1 0 297.402 2.721 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC000000244344 371567790 /nfs/dbraw/zinc/56/77/90/371567790.db2.gz AQVNRQCOOXEVMG-NSHDSACASA-N 1 0 266.772 2.554 50 0 CFAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000251340 371569737 /nfs/dbraw/zinc/56/97/37/371569737.db2.gz QXJZZICYZZKPMO-RHSMWYFYSA-N 1 0 288.435 2.841 50 0 CFAARO COc1ccccc1C[N@H+](C)CCc1ccccn1 ZINC000000271725 371574825 /nfs/dbraw/zinc/57/48/25/371574825.db2.gz NPRPYASSAFAFSU-UHFFFAOYSA-N 1 0 256.349 2.765 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2OCC)C1 ZINC000000293829 371580267 /nfs/dbraw/zinc/58/02/67/371580267.db2.gz YXRQVCSWIFZRRC-OAHLLOKOSA-N 1 0 291.391 2.860 50 0 CFAARO O=C(C[NH+]1CCCCC1)N[C@@H]1CCc2cc3c(cc21)CCC3 ZINC000000347540 371590644 /nfs/dbraw/zinc/59/06/44/371590644.db2.gz KJYHTMYAKRIPLQ-GOSISDBHSA-N 1 0 298.430 2.765 50 0 CFAARO CC(=O)N1CC[n+]2cc(-c3c(C)cc(C)cc3C)sc21 ZINC000000392219 371604071 /nfs/dbraw/zinc/60/40/71/371604071.db2.gz UHZDASVCZFOIGQ-UHFFFAOYSA-N 1 0 287.408 2.994 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@@H](O)c2c[nH]c3ccccc23)C1 ZINC000000506507 371631722 /nfs/dbraw/zinc/63/17/22/371631722.db2.gz XTZAJWIPFFKQJR-BLLLJJGKSA-N 1 0 258.365 2.933 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000000819570 371653057 /nfs/dbraw/zinc/65/30/57/371653057.db2.gz ZZGOIWAEYNBAAD-ZDUSSCGKSA-N 1 0 259.349 2.709 50 0 CFAARO CC[C@]1(C)C[C@](O)(CC[NH2+]Cc2ccccc2)CCO1 ZINC000001801292 371706646 /nfs/dbraw/zinc/70/66/46/371706646.db2.gz IXXDOBQTAJWJNA-SJORKVTESA-N 1 0 277.408 2.877 50 0 CFAARO O=C1c2ccccc2CC[C@@H]1C[NH2+]CCc1ccc(O)cc1 ZINC000002011295 371711970 /nfs/dbraw/zinc/71/19/70/371711970.db2.gz PZZOEXPDTYIBPI-MRXNPFEDSA-N 1 0 295.382 2.970 50 0 in-vitro CFAARO OCC[NH2+]CCCCCCOc1ccc(Cl)cc1 ZINC000002380024 371724146 /nfs/dbraw/zinc/72/41/46/371724146.db2.gz YARSCPSXPAPWCU-UHFFFAOYSA-N 1 0 271.788 2.861 50 0 CFAARO CCC(=O)C1(c2cccc(OC)c2)CC[NH+](C)CC1 ZINC000001646395 371692344 /nfs/dbraw/zinc/69/23/44/371692344.db2.gz LFOGAHGDLSGJTE-UHFFFAOYSA-N 1 0 261.365 2.638 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+]C(C)(C)C)cc1Cl ZINC000001671751 371695315 /nfs/dbraw/zinc/69/53/15/371695315.db2.gz JXIJTEADECTJBC-UHFFFAOYSA-N 1 0 254.761 2.975 50 0 CFAARO CC[NH+](CC)Cc1cc(OC)c(OC)c(OC)c1 ZINC000001707895 371700479 /nfs/dbraw/zinc/70/04/79/371700479.db2.gz YLUSASPHATUCRU-UHFFFAOYSA-N 1 0 253.342 2.554 50 0 CFAARO CCCCOc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000002872527 371760777 /nfs/dbraw/zinc/76/07/77/371760777.db2.gz IVETWLFCBVRMQB-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO CCc1ccc(OCCOCC[NH+](CC)CC)cc1 ZINC000002896302 371762423 /nfs/dbraw/zinc/76/24/23/371762423.db2.gz SGMMOHPRENPCLM-UHFFFAOYSA-N 1 0 265.397 2.986 50 0 CFAARO C[NH+](C)CCCNC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000002899323 371762953 /nfs/dbraw/zinc/76/29/53/371762953.db2.gz TWZZTFDWLZJSSG-ONGXEEELSA-N 1 0 293.238 2.646 50 0 CFAARO Fc1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000002898536 371763467 /nfs/dbraw/zinc/76/34/67/371763467.db2.gz SGBUUAUWRKRCBM-UHFFFAOYSA-N 1 0 273.307 2.887 50 0 CFAARO CCC[C@@](O)(CC[NH+](C)C)c1ccc(OC)cc1 ZINC000002922697 371764249 /nfs/dbraw/zinc/76/42/49/371764249.db2.gz XRWKTLGPGSHZEC-OAHLLOKOSA-N 1 0 251.370 2.635 50 0 CFAARO OCC[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl ZINC000002932572 371764295 /nfs/dbraw/zinc/76/42/95/371764295.db2.gz QSTLCXAWLWKRPZ-UHFFFAOYSA-N 1 0 284.570 2.608 50 0 CFAARO O[C@H](COc1cccc2ccccc21)C[NH+]1CCCC1 ZINC000002990973 371766358 /nfs/dbraw/zinc/76/63/58/371766358.db2.gz DAUPQTWASFZPMJ-HNNXBMFYSA-N 1 0 271.360 2.675 50 0 CFAARO COCC[NH2+]CCOc1cc(C)ccc1C(C)(C)C ZINC000003003571 371768249 /nfs/dbraw/zinc/76/82/49/371768249.db2.gz BWWYNOHBCXSVEJ-UHFFFAOYSA-N 1 0 265.397 2.907 50 0 CFAARO CCOc1cccc(OCCOCC[NH+]2CCCC2)c1 ZINC000003000639 371768388 /nfs/dbraw/zinc/76/83/88/371768388.db2.gz ITNARLBNOQBTPZ-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO CC(=O)c1ccc(NC(=O)OCC[NH+]2CCCCC2)cc1 ZINC000003130425 371774664 /nfs/dbraw/zinc/77/46/64/371774664.db2.gz DLNYDQNLXLKZPQ-UHFFFAOYSA-N 1 0 290.363 2.924 50 0 CFAARO CC(C)c1ccccc1OCC[NH2+]C[C@H]1CCCO1 ZINC000003247042 371783151 /nfs/dbraw/zinc/78/31/51/371783151.db2.gz VEAWUUPPAVKLHV-CQSZACIVSA-N 1 0 263.381 2.957 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000003306039 371788999 /nfs/dbraw/zinc/78/89/99/371788999.db2.gz VCHFVQATOVGUED-LBPRGKRZSA-N 1 0 280.799 2.831 50 0 CFAARO Fc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000004110846 371833686 /nfs/dbraw/zinc/83/36/86/371833686.db2.gz QZYDHJQNBCPBGJ-UHFFFAOYSA-N 1 0 259.280 2.844 50 0 CFAARO COC[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003440322 371800756 /nfs/dbraw/zinc/80/07/56/371800756.db2.gz MYJQWHCBMZTOOS-OLZOCXBDSA-N 1 0 292.423 2.936 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(F)c1 ZINC000003583728 371811970 /nfs/dbraw/zinc/81/19/70/371811970.db2.gz OAINULQDHFWDCL-LLVKDONJSA-N 1 0 250.317 2.639 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1ccc(C)cc1Br ZINC000003678306 371814572 /nfs/dbraw/zinc/81/45/72/371814572.db2.gz JWMOLPFKQUZGIE-NSHDSACASA-N 1 0 286.169 2.711 50 0 CFAARO Nc1cccc(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000003999141 371827785 /nfs/dbraw/zinc/82/77/85/371827785.db2.gz QMUPZBBJTKGJIF-GOEBONIOSA-N 1 0 288.391 2.690 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000004240667 371843918 /nfs/dbraw/zinc/84/39/18/371843918.db2.gz QOWJMYDBBXGGEM-UHFFFAOYSA-N 1 0 254.333 2.935 50 0 CFAARO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000004320474 371849550 /nfs/dbraw/zinc/84/95/50/371849550.db2.gz VGZBQHDMMHJWFK-OAHLLOKOSA-N 1 0 291.391 2.505 50 0 CFAARO O=C(c1cccs1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004349369 371850967 /nfs/dbraw/zinc/85/09/67/371850967.db2.gz DARNJDCRLQWJII-MJBXVCDLSA-N 1 0 290.432 2.695 50 0 CFAARO Cc1c(O)ccc2c(C[NH+]3CCCCC3)cc(=O)oc12 ZINC000004340529 371851278 /nfs/dbraw/zinc/85/12/78/371851278.db2.gz CNMNNSCWAKJOEU-UHFFFAOYSA-N 1 0 273.332 2.793 50 0 CFAARO CCc1ccc2nc(N(CC[NH+](C)C)C(C)=O)sc2c1 ZINC000004359204 371852894 /nfs/dbraw/zinc/85/28/94/371852894.db2.gz SVZXKHWHNYGZNP-UHFFFAOYSA-N 1 0 291.420 2.773 50 0 CFAARO CSc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000004453683 371857631 /nfs/dbraw/zinc/85/76/31/371857631.db2.gz YONVNBLFRADQRH-UHFFFAOYSA-N 1 0 261.394 2.785 50 0 CFAARO CSc1ccc(/C=C2/[C@@H](O)C3CC[NH+]2CC3)cc1 ZINC000004502655 371861296 /nfs/dbraw/zinc/86/12/96/371861296.db2.gz IKWSMIGWZGHVKY-LTBFUDJGSA-N 1 0 261.390 2.836 50 0 CFAARO C[C@H]1Cc2ccccc2N1C(=O)CC[NH+]1CCCCC1 ZINC000004594306 371866592 /nfs/dbraw/zinc/86/65/92/371866592.db2.gz MIQQBJMPCTZQIT-AWEZNQCLSA-N 1 0 272.392 2.840 50 0 CFAARO Cc1ccccc1OCC(=O)OCC[N@@H+](C)C(C)(C)C ZINC000004616677 371867331 /nfs/dbraw/zinc/86/73/31/371867331.db2.gz HMONDMXKJQSQMQ-UHFFFAOYSA-N 1 0 279.380 2.647 50 0 CFAARO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C ZINC000004135249 371837054 /nfs/dbraw/zinc/83/70/54/371837054.db2.gz GCHIHZIMIPPUGG-HOTGVXAUSA-N 1 0 277.408 2.918 50 0 CFAARO COc1cccc2c1OC[C@@H]([NH2+]CC1CCCC1)C2 ZINC000011874116 371934837 /nfs/dbraw/zinc/93/48/37/371934837.db2.gz SAFKHKYUAQLTIB-AWEZNQCLSA-N 1 0 261.365 2.779 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NC2CCCCCC2)C1 ZINC000006007743 371887372 /nfs/dbraw/zinc/88/73/72/371887372.db2.gz DBEVPZXXAIKVSS-ZIAGYGMSSA-N 1 0 266.429 2.803 50 0 CFAARO CC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010434140 371907645 /nfs/dbraw/zinc/90/76/45/371907645.db2.gz CNJBJINBMJQCFA-CYBMUJFWSA-N 1 0 260.381 2.811 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434698 371907754 /nfs/dbraw/zinc/90/77/54/371907754.db2.gz JKPCDWTZUZMBCC-YHXWVGAOSA-N 1 0 281.440 2.721 50 0 CFAARO OCCOCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000010436259 371908052 /nfs/dbraw/zinc/90/80/52/371908052.db2.gz QBBHJUNIWRYNSD-UHFFFAOYSA-N 1 0 295.766 2.699 50 0 CFAARO Cc1ccccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540211 371910497 /nfs/dbraw/zinc/91/04/97/371910497.db2.gz IWJGAPSFCICQHA-UHFFFAOYSA-N 1 0 274.408 2.847 50 0 CFAARO CCCC[N@H+](C)CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000012976011 372003603 /nfs/dbraw/zinc/00/36/03/372003603.db2.gz XNWBNFVSKNXFJB-UHFFFAOYSA-N 1 0 298.770 2.739 50 0 CFAARO O=C1C[C@@H]([NH2+]Cc2ccoc2)CN1CCCc1ccccc1 ZINC000012430602 371962251 /nfs/dbraw/zinc/96/22/51/371962251.db2.gz XHCUIYCSWVCADP-QGZVFWFLSA-N 1 0 298.386 2.603 50 0 CFAARO Cc1ccoc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012274743 371949768 /nfs/dbraw/zinc/94/97/68/371949768.db2.gz CCPAPKICGRHRGJ-UHFFFAOYSA-N 1 0 264.369 2.627 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000013320242 372021293 /nfs/dbraw/zinc/02/12/93/372021293.db2.gz LXMUQVUNXQELSB-UHFFFAOYSA-N 1 0 279.359 2.740 50 0 CFAARO CC(C)CC[C@H](CC(=O)NCC[NH+](C)C)C(C)C ZINC000013686642 372041565 /nfs/dbraw/zinc/04/15/65/372041565.db2.gz GQHJFRIBWFUXPD-CQSZACIVSA-N 1 0 256.434 2.763 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1)c1ccsc1 ZINC000013011150 372010074 /nfs/dbraw/zinc/01/00/74/372010074.db2.gz DWSYWUWRMCOFTA-AWEZNQCLSA-N 1 0 292.379 2.920 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2csc(C)c2C)CC1 ZINC000016602892 372111769 /nfs/dbraw/zinc/11/17/69/372111769.db2.gz IMQDONRSKMSYLB-UHFFFAOYSA-N 1 0 266.410 2.579 50 0 CFAARO COc1ccccc1/C=C/C[N@@H+]1CCCC[C@@H]1CO ZINC000016663073 372115780 /nfs/dbraw/zinc/11/57/80/372115780.db2.gz PWTNKKDAYSEBFQ-PMGBHYCQSA-N 1 0 261.365 2.555 50 0 CFAARO C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1cccs1 ZINC000015261510 372082218 /nfs/dbraw/zinc/08/22/18/372082218.db2.gz HAORNFIYIXZFPZ-NEPJUHHUSA-N 1 0 266.410 2.800 50 0 CFAARO C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)c1ccccc1 ZINC000016381760 372104911 /nfs/dbraw/zinc/10/49/11/372104911.db2.gz LXHIGEQDBPJVLT-INIZCTEOSA-N 1 0 299.370 2.623 50 0 CFAARO O=C(NC[C@H]1[NH2+]CCc2ccccc21)C1CCCCC1 ZINC000019201946 372149239 /nfs/dbraw/zinc/14/92/39/372149239.db2.gz NZUKSVDRTKIQDY-MRXNPFEDSA-N 1 0 272.392 2.570 50 0 CFAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[NH2+]CC2 ZINC000019229987 372151927 /nfs/dbraw/zinc/15/19/27/372151927.db2.gz GZGZWZVAJDFXJK-KRWDZBQOSA-N 1 0 269.344 2.939 50 0 biogenic,in-vitro CFAARO C[NH+](C)CCN(Cc1ccccc1)Cc1cccnc1 ZINC000019364196 372155851 /nfs/dbraw/zinc/15/58/51/372155851.db2.gz KWQYQYGRXREBFW-UHFFFAOYSA-N 1 0 269.392 2.645 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000019359447 372157202 /nfs/dbraw/zinc/15/72/02/372157202.db2.gz AVWBBXCTFJJTGD-ZDUSSCGKSA-N 1 0 250.361 2.742 50 0 CFAARO COc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019735587 372182071 /nfs/dbraw/zinc/18/20/71/372182071.db2.gz QEBOYBVMAZLNLX-GOSISDBHSA-N 1 0 282.387 2.690 50 0 CFAARO CCN(CC[NH+](C)C)Cc1ccc(SC)cc1 ZINC000019634543 372178390 /nfs/dbraw/zinc/17/83/90/372178390.db2.gz LPDMLIBKIGDHHV-UHFFFAOYSA-N 1 0 252.427 2.792 50 0 CFAARO Cc1ccc(C)c(OCCCC[NH+]2CCOCC2)c1 ZINC000019638558 372178845 /nfs/dbraw/zinc/17/88/45/372178845.db2.gz HGBYSVWCWODYGB-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO CCOCC[N@@H+]1CC[C@H](OC(=O)c2ccccc2)[C@@H](C)C1 ZINC000017246557 372130761 /nfs/dbraw/zinc/13/07/61/372130761.db2.gz WMAVWZGHPBTWHI-HOCLYGCPSA-N 1 0 291.391 2.590 50 0 CFAARO Fc1ccccc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000019913509 372209032 /nfs/dbraw/zinc/20/90/32/372209032.db2.gz LQVDCNRFZKYSAG-UHFFFAOYSA-N 1 0 287.334 2.929 50 0 CFAARO CC1(C)C[C@@H](C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)CCO1 ZINC000019952744 372214073 /nfs/dbraw/zinc/21/40/73/372214073.db2.gz YXUVAYFFOOZIPC-YJBOKZPZSA-N 1 0 289.419 2.785 50 0 CFAARO Cc1cccc(N2C(=O)C[C@@H]([NH2+]C3CCCCC3)C2=O)c1 ZINC000019989357 372219743 /nfs/dbraw/zinc/21/97/43/372219743.db2.gz QTCAILOIXWCGTM-OAHLLOKOSA-N 1 0 286.375 2.549 50 0 CFAARO CN1CCC([N@H+](C)C[C@@H]2CCc3ccccc3C2)CC1 ZINC000020869139 372239383 /nfs/dbraw/zinc/23/93/83/372239383.db2.gz QBUJSXWARQVSTN-OAHLLOKOSA-N 1 0 272.436 2.818 50 0 CFAARO CCc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000019770558 372184474 /nfs/dbraw/zinc/18/44/74/372184474.db2.gz ZIYUVCTYXPUQPP-UHFFFAOYSA-N 1 0 263.381 2.740 50 0 CFAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccncc1 ZINC000019797601 372190586 /nfs/dbraw/zinc/19/05/86/372190586.db2.gz RHFWDNPLXMRBPV-UHFFFAOYSA-N 1 0 251.333 2.895 50 0 CFAARO C[C@@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000019836132 372194360 /nfs/dbraw/zinc/19/43/60/372194360.db2.gz YWECAFLAZAOMNB-OAHLLOKOSA-N 1 0 286.419 2.693 50 0 CFAARO Oc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022779387 372246636 /nfs/dbraw/zinc/24/66/36/372246636.db2.gz BSMWQWIOTQMLLY-UHFFFAOYSA-N 1 0 286.350 2.854 50 0 CFAARO O=c1c2ccccc2ncn1CCC[NH2+]Cc1ccccc1 ZINC000023128305 372253003 /nfs/dbraw/zinc/25/30/03/372253003.db2.gz PPRUAVUQXCFTDG-UHFFFAOYSA-N 1 0 293.370 2.576 50 0 CFAARO OC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000023280916 372256006 /nfs/dbraw/zinc/25/60/06/372256006.db2.gz TUHUDOYDVMWEED-GFCCVEGCSA-N 1 0 289.297 2.790 50 0 CFAARO CNC(=O)c1ccc([C@@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000023311895 372259066 /nfs/dbraw/zinc/25/90/66/372259066.db2.gz DARCETHXGXTKJN-NSHDSACASA-N 1 0 266.410 2.901 50 0 CFAARO CCCCNC(=S)NC[C@@H](c1cccs1)[NH+](C)C ZINC000023776173 372266581 /nfs/dbraw/zinc/26/65/81/372266581.db2.gz YBBKLNUKUUGQHA-NSHDSACASA-N 1 0 285.482 2.615 50 0 CFAARO C[C@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115253 372273117 /nfs/dbraw/zinc/27/31/17/372273117.db2.gz FTGHRDKOCPMFJV-XJKSGUPXSA-N 1 0 272.392 2.555 50 0 CFAARO C[C@H](CNC(=O)C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025633602 372305138 /nfs/dbraw/zinc/30/51/38/372305138.db2.gz GQFSEPALNJRDRS-CQSZACIVSA-N 1 0 286.419 2.740 50 0 CFAARO O=C(Nc1ccc2c(c1)-c1ccccc1C2)[C@@H]1CCC[NH2+]1 ZINC000216625181 284320135 /nfs/dbraw/zinc/32/01/35/284320135.db2.gz YYFWXPWIJVWXFW-KRWDZBQOSA-N 1 0 278.355 2.948 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccco1)c1ccsc1 ZINC000025810418 372308804 /nfs/dbraw/zinc/30/88/04/372308804.db2.gz AYDBMAMTZXPBJS-VBROQKIQSA-N 1 0 290.388 2.773 50 0 CFAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1F ZINC000026807528 372329113 /nfs/dbraw/zinc/32/91/13/372329113.db2.gz OKGXSLRNMYELCR-KRWDZBQOSA-N 1 0 271.335 2.917 50 0 CFAARO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c1ccco1 ZINC000027135154 372334941 /nfs/dbraw/zinc/33/49/41/372334941.db2.gz RVQXOCUAEIUFDP-RYUDHWBXSA-N 1 0 266.385 2.823 50 0 CFAARO C[C@H]([N@H+](C)Cc1cc(=O)n2ccccc2n1)C(C)(C)C ZINC000027135915 372335480 /nfs/dbraw/zinc/33/54/80/372335480.db2.gz JHSZWRDTJSJBSP-LBPRGKRZSA-N 1 0 273.380 2.561 50 0 CFAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H](C)C(C)(C)C)nc12 ZINC000027134842 372335698 /nfs/dbraw/zinc/33/56/98/372335698.db2.gz YONKYZCDYQDJJR-CYBMUJFWSA-N 1 0 287.407 2.869 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C(C)(C)C)c1cccs1 ZINC000027679767 372347249 /nfs/dbraw/zinc/34/72/49/372347249.db2.gz IVMQVXZTBSZCAM-JTQLQIEISA-N 1 0 254.399 2.513 50 0 CFAARO O=C(CCC1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932650 372354163 /nfs/dbraw/zinc/35/41/63/372354163.db2.gz AHIGYCUYHPZAMQ-OAHLLOKOSA-N 1 0 264.413 2.654 50 0 CFAARO Brc1cccc(COC2CC[NH2+]CC2)c1 ZINC000031839922 372419060 /nfs/dbraw/zinc/41/90/60/372419060.db2.gz LGJZIPAPZVTQSV-UHFFFAOYSA-N 1 0 270.170 2.718 50 0 CFAARO CC(C)[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1 ZINC000029197032 372376095 /nfs/dbraw/zinc/37/60/95/372376095.db2.gz VPAYBIPVTAYCGS-KRWDZBQOSA-N 1 0 286.375 2.883 50 0 CFAARO CC(C)C[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000029724118 372384407 /nfs/dbraw/zinc/38/44/07/372384407.db2.gz GOKHHDMJWZCTGD-UHFFFAOYSA-N 1 0 273.380 2.790 50 0 CFAARO C[C@@H](C1CC1)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CC1 ZINC000029725036 372384486 /nfs/dbraw/zinc/38/44/86/372384486.db2.gz XMUSHXGIVUPPRY-NSHDSACASA-N 1 0 283.375 2.686 50 0 CFAARO Cc1cccn2c(=O)cc(C[N@@H+]([C@H](C)C3CC3)C3CC3)nc12 ZINC000029725323 372384661 /nfs/dbraw/zinc/38/46/61/372384661.db2.gz QERJIPJQEDGOJM-CYBMUJFWSA-N 1 0 297.402 2.766 50 0 CFAARO COc1cccc(C[NH2+]Cc2ccnc(-n3cccn3)c2)c1 ZINC000030900989 372399898 /nfs/dbraw/zinc/39/98/98/372399898.db2.gz IDEMKXITRIUBQV-UHFFFAOYSA-N 1 0 294.358 2.566 50 0 CFAARO CC1CC[NH+](Cc2ccc(CNC(=O)C3CC3)cc2)CC1 ZINC000031200974 372406183 /nfs/dbraw/zinc/40/61/83/372406183.db2.gz YFQDZAFHJOYFOE-UHFFFAOYSA-N 1 0 286.419 2.945 50 0 CFAARO C[NH+](C)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000032923557 372476333 /nfs/dbraw/zinc/47/63/33/372476333.db2.gz NXEJXJCCADXFAY-UHFFFAOYSA-N 1 0 296.374 2.906 50 0 CFAARO C[C@H]([NH2+]C[C@H](O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000032130763 372432808 /nfs/dbraw/zinc/43/28/08/372432808.db2.gz NLCJBDQRNTWMRV-WFASDCNBSA-N 1 0 285.343 2.800 50 0 CFAARO CSc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000032675843 372453268 /nfs/dbraw/zinc/45/32/68/372453268.db2.gz HQQFTINTKDZRSU-UHFFFAOYSA-N 1 0 278.421 2.575 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000032747850 372459714 /nfs/dbraw/zinc/45/97/14/372459714.db2.gz WHGOEQJRXVXRDO-GDBMZVCRSA-N 1 0 272.392 2.762 50 0 CFAARO Cc1ccccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000237731466 189888447 /nfs/dbraw/zinc/88/84/47/189888447.db2.gz ZHHOPGKJKPBFHJ-UHFFFAOYSA-N 1 0 282.391 2.862 50 0 CFAARO COc1ccc(/C=C\c2cccc[n+]2C)c(OC)c1OC ZINC000033713961 372499615 /nfs/dbraw/zinc/49/96/15/372499615.db2.gz HJKQOKWUMMPBJD-NTMALXAHSA-N 1 0 286.351 2.707 50 0 CFAARO Cc1cc(N2CCC(c3ccccc3)CC2)nc(N)[nH+]1 ZINC000034563434 372510305 /nfs/dbraw/zinc/51/03/05/372510305.db2.gz FWVWLBZYZZPNNG-UHFFFAOYSA-N 1 0 268.364 2.751 50 0 CFAARO C[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000034659418 372512740 /nfs/dbraw/zinc/51/27/40/372512740.db2.gz VRZIYURFWMFZLF-UHFFFAOYSA-N 1 0 258.159 2.956 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000034849592 372516521 /nfs/dbraw/zinc/51/65/21/372516521.db2.gz KIFANNPGXQUCEP-MRXNPFEDSA-N 1 0 275.323 2.658 50 0 CFAARO Cc1ccc(C[N@H+](C[C@@H](O)COCC(C)C)CC2CC2)o1 ZINC000036098011 372557862 /nfs/dbraw/zinc/55/78/62/372557862.db2.gz CJWSKCNPBKFAQY-MRXNPFEDSA-N 1 0 295.423 2.834 50 0 CFAARO [NH3+][C@H](C(=O)N(Cc1ccccc1)C1CC1)c1ccccc1 ZINC000036135184 372562708 /nfs/dbraw/zinc/56/27/08/372562708.db2.gz NQXGJJQZKQLNEU-KRWDZBQOSA-N 1 0 280.371 2.878 50 0 CFAARO CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000036182261 372566001 /nfs/dbraw/zinc/56/60/01/372566001.db2.gz KYTVOIVOMWCPRA-UHFFFAOYSA-N 1 0 289.375 2.763 50 0 CFAARO CCN(Cc1ccccc1C)C(=O)[C@H]([NH3+])CC(C)C ZINC000036199780 372566646 /nfs/dbraw/zinc/56/66/46/372566646.db2.gz UKYPLKRTARJUTH-OAHLLOKOSA-N 1 0 262.397 2.717 50 0 CFAARO Cc1n[nH]cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000036901572 372607986 /nfs/dbraw/zinc/60/79/86/372607986.db2.gz HONIAZFQJNPWIH-UHFFFAOYSA-N 1 0 254.337 2.532 50 0 CFAARO COC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036962638 372617004 /nfs/dbraw/zinc/61/70/04/372617004.db2.gz ZWLGNWKYBCLDNP-UHFFFAOYSA-N 1 0 261.365 2.504 50 0 CFAARO Cn1nccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000036968727 372618542 /nfs/dbraw/zinc/61/85/42/372618542.db2.gz JTBJWWZNSFZMHB-CYBMUJFWSA-N 1 0 277.368 2.886 50 0 CFAARO Cc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000037024057 372638016 /nfs/dbraw/zinc/63/80/16/372638016.db2.gz YAEZAILHLOWTJI-OAHLLOKOSA-N 1 0 255.365 2.896 50 0 CFAARO CCOc1ccc(-c2c[nH]c([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000036876484 372605895 /nfs/dbraw/zinc/60/58/95/372605895.db2.gz CVHJRVFWAWHPQH-ZDUSSCGKSA-N 1 0 271.364 2.942 50 0 CFAARO CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc1 ZINC000037898764 372733324 /nfs/dbraw/zinc/73/33/24/372733324.db2.gz NUHLVLAZKCXCMI-LLVKDONJSA-N 1 0 259.353 2.968 50 0 CFAARO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000037977719 372745058 /nfs/dbraw/zinc/74/50/58/372745058.db2.gz KJUUTGCCARMURB-LLVKDONJSA-N 1 0 266.772 2.613 50 0 CFAARO CCc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)o1 ZINC000039364415 372777981 /nfs/dbraw/zinc/77/79/81/372777981.db2.gz FRZCHKWBUJHZEP-CYBMUJFWSA-N 1 0 287.359 2.944 50 0 CFAARO CCCC[N@H+](CC)C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000042289304 372899671 /nfs/dbraw/zinc/89/96/71/372899671.db2.gz KYNXUQSUVYANNZ-CQSZACIVSA-N 1 0 279.380 2.613 50 0 CFAARO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C(C)C)no1 ZINC000239722333 189902048 /nfs/dbraw/zinc/90/20/48/189902048.db2.gz CCDVTDFQPUHCPC-UHFFFAOYSA-N 1 0 293.411 2.746 50 0 CFAARO CC(C)COCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000241371285 189903761 /nfs/dbraw/zinc/90/37/61/189903761.db2.gz MMDYUGGSOFGFSZ-GJZGRUSLSA-N 1 0 265.401 2.629 50 0 CFAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000042684506 372945449 /nfs/dbraw/zinc/94/54/49/372945449.db2.gz TUKGCVNJUUPUEN-OAHLLOKOSA-N 1 0 261.365 2.994 50 0 CFAARO CCc1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770591 372954006 /nfs/dbraw/zinc/95/40/06/372954006.db2.gz RLPRRAWEMGFMLU-LLVKDONJSA-N 1 0 284.197 3.000 50 0 CFAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(Cl)cc2F)C1 ZINC000046878892 373065283 /nfs/dbraw/zinc/06/52/83/373065283.db2.gz AVQOSYPKWBCQLL-NSHDSACASA-N 1 0 298.789 2.941 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1ccsc1 ZINC000046859527 373065894 /nfs/dbraw/zinc/06/58/94/373065894.db2.gz KQJKOISHNBZZGF-CYBMUJFWSA-N 1 0 280.437 2.671 50 0 CFAARO O[C@@H](C[NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000047496136 373099007 /nfs/dbraw/zinc/09/90/07/373099007.db2.gz SHCJQHYDVDLDJK-INIZCTEOSA-N 1 0 299.370 2.671 50 0 CFAARO CC(C)Oc1ccccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000048192812 373150513 /nfs/dbraw/zinc/15/05/13/373150513.db2.gz HGOYZDIZZDDSBH-UHFFFAOYSA-N 1 0 291.395 2.690 50 0 CFAARO Cc1ncsc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048268716 373156951 /nfs/dbraw/zinc/15/69/51/373156951.db2.gz KGLPYITZQDNVDT-VXGBXAGGSA-N 1 0 295.452 2.549 50 0 CFAARO c1coc(CCCN2CC[NH+](C3CCSCC3)CC2)c1 ZINC000244882801 189914299 /nfs/dbraw/zinc/91/42/99/189914299.db2.gz XZGDRLHESSCYPA-UHFFFAOYSA-N 1 0 294.464 2.725 50 0 CFAARO COc1ccc(C[C@@H]([NH3+])c2ccc(C)cn2)cc1OC ZINC000048622979 373208744 /nfs/dbraw/zinc/20/87/44/373208744.db2.gz PYDSGVQSZKYTIN-CYBMUJFWSA-N 1 0 272.348 2.650 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C[NH3+])cc2)C1 ZINC000049581923 373312314 /nfs/dbraw/zinc/31/23/14/373312314.db2.gz KEPYUGLRWGHYEC-AWEZNQCLSA-N 1 0 276.380 2.870 50 0 CFAARO CC[NH+]1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000054559779 373526742 /nfs/dbraw/zinc/52/67/42/373526742.db2.gz HYSAHYAYYHXALQ-BQYQJAHWSA-N 1 0 278.783 2.517 50 0 CFAARO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000053753420 373486209 /nfs/dbraw/zinc/48/62/09/373486209.db2.gz RNUKSOPVHKYAPR-LLVKDONJSA-N 1 0 297.349 2.818 50 0 CFAARO COc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000057353433 373589644 /nfs/dbraw/zinc/58/96/44/373589644.db2.gz DPZNELKYTYMWKG-UHFFFAOYSA-N 1 0 281.359 2.904 50 0 CFAARO CC[C@H](CO)[N@H+](Cc1cccc(O)c1)Cc1ccccn1 ZINC000055244079 373546750 /nfs/dbraw/zinc/54/67/50/373546750.db2.gz SXZLGXUGXOJFFI-MRXNPFEDSA-N 1 0 286.375 2.560 50 0 CFAARO Cc1ccsc1CN(CC(C)C)C(=O)[C@H]1CC[NH2+]C1 ZINC000055341832 373548880 /nfs/dbraw/zinc/54/88/80/373548880.db2.gz WDVOCJGEWDIADV-ZDUSSCGKSA-N 1 0 280.437 2.651 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc(F)c2)C1 ZINC000058174940 373629947 /nfs/dbraw/zinc/62/99/47/373629947.db2.gz ZGFCNPQARNLFEX-LBPRGKRZSA-N 1 0 296.361 2.815 50 0 CFAARO Cc1ccc2cc(C(=O)NC[C@@H]3CC[N@@H+](C(C)C)C3)[nH]c2c1 ZINC000058181387 373631435 /nfs/dbraw/zinc/63/14/35/373631435.db2.gz JJSGFJNESVTDTK-AWEZNQCLSA-N 1 0 299.418 2.936 50 0 CFAARO CC[N@H+](C)Cc1cccc(CNC(=O)C(C)(C)C)c1 ZINC000058210359 373634135 /nfs/dbraw/zinc/63/41/35/373634135.db2.gz XVWDWNDGFBCNQK-UHFFFAOYSA-N 1 0 262.397 2.801 50 0 CFAARO CCCCc1noc([C@@H](C)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000058431319 373658395 /nfs/dbraw/zinc/65/83/95/373658395.db2.gz LBUMCGWRANODOH-KGLIPLIRSA-N 1 0 292.427 2.643 50 0 CFAARO Cc1ccc([C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000058309895 373644844 /nfs/dbraw/zinc/64/48/44/373644844.db2.gz PYXHYHCLQAZLER-KDOFPFPSSA-N 1 0 296.418 2.974 50 0 CFAARO CCCCCNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000058307613 373644944 /nfs/dbraw/zinc/64/49/44/373644944.db2.gz GMGQCWXWLONKSL-UHFFFAOYSA-N 1 0 263.385 2.542 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3n2C)C1 ZINC000058343962 373648537 /nfs/dbraw/zinc/64/85/37/373648537.db2.gz IENFSTNEYKNHMP-CQSZACIVSA-N 1 0 299.418 2.638 50 0 CFAARO CC[N@H+](CCNC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000058341638 373648860 /nfs/dbraw/zinc/64/88/60/373648860.db2.gz UHDBGHRYMIFXPC-UHFFFAOYSA-N 1 0 281.787 2.946 50 0 CFAARO C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000057567449 373599661 /nfs/dbraw/zinc/59/96/61/373599661.db2.gz KPQDEQNQBXZXMQ-AWEZNQCLSA-N 1 0 292.398 2.749 50 0 CFAARO COc1c(C[NH2+]Cc2cccc3cccnc32)c(C)nn1C ZINC000058432774 373659425 /nfs/dbraw/zinc/65/94/25/373659425.db2.gz UNWRSXMMMBADGB-UHFFFAOYSA-N 1 0 296.374 2.575 50 0 CFAARO COCCC[N@H+](C)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000059487492 373681941 /nfs/dbraw/zinc/68/19/41/373681941.db2.gz CXBIKNOJKYZTCZ-CYBMUJFWSA-N 1 0 291.313 2.707 50 0 CFAARO Cc1ccsc1CN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611993 373721620 /nfs/dbraw/zinc/72/16/20/373721620.db2.gz GNCSQVCJHMJRRP-CQSZACIVSA-N 1 0 288.416 2.757 50 0 CFAARO COC(=O)CCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000062015333 373743321 /nfs/dbraw/zinc/74/33/21/373743321.db2.gz QQZRIHOSSPOWGO-NSHDSACASA-N 1 0 253.317 2.772 50 0 CFAARO OCC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000062350372 373759556 /nfs/dbraw/zinc/75/95/56/373759556.db2.gz FKACIXYDVJEAQW-HUUCEWRRSA-N 1 0 283.799 2.610 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000063710354 373813220 /nfs/dbraw/zinc/81/32/20/373813220.db2.gz SEBFOJGFKLCDEP-DVQDXYAYSA-N 1 0 286.419 2.936 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000064249743 373821684 /nfs/dbraw/zinc/82/16/84/373821684.db2.gz HRRSOELPVYTLSQ-UHFFFAOYSA-N 1 0 266.772 2.508 50 0 CFAARO Cc1c(C[N@H+]2CCC[C@H](C)C2)nnn1-c1ccc(F)cc1 ZINC000064543138 373826854 /nfs/dbraw/zinc/82/68/54/373826854.db2.gz UBUIAJUFVIVINH-LBPRGKRZSA-N 1 0 288.370 2.947 50 0 CFAARO O=C([C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC1 ZINC000064552835 373827992 /nfs/dbraw/zinc/82/79/92/373827992.db2.gz KHTYGAPTGUOOLG-ZDUSSCGKSA-N 1 0 278.421 2.583 50 0 CFAARO COc1ccccc1CCC[NH2+][C@H]1CCSC1 ZINC000065495515 373880214 /nfs/dbraw/zinc/88/02/14/373880214.db2.gz LUGQSNONBJCPEH-ZDUSSCGKSA-N 1 0 251.395 2.723 50 0 CFAARO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc2nonc2c1 ZINC000065509109 373882208 /nfs/dbraw/zinc/88/22/08/373882208.db2.gz LXORQAOOIVKMME-NSHDSACASA-N 1 0 268.320 2.811 50 0 CFAARO C[C@H](CNC(=O)c1ccc2cc[nH]c2c1)C[NH+]1CCCC1 ZINC000065522777 373883102 /nfs/dbraw/zinc/88/31/02/373883102.db2.gz DIWGQXUSJUOYQG-CYBMUJFWSA-N 1 0 285.391 2.630 50 0 CFAARO Cc1cc(-n2nc(C(C)C)nc2-c2cc(N)ccn2)cc[nH+]1 ZINC000065529389 373884888 /nfs/dbraw/zinc/88/48/88/373884888.db2.gz AGDUPWHBYJNZKL-UHFFFAOYSA-N 1 0 294.362 2.738 50 0 CFAARO CCOC(=O)c1ccoc1C[N@H+](C)[C@H](C)C1CC1 ZINC000065550865 373886808 /nfs/dbraw/zinc/88/68/08/373886808.db2.gz YNKYYOGQLMSHOV-SNVBAGLBSA-N 1 0 251.326 2.687 50 0 CFAARO C[NH+](C)CCCNC(=O)c1cc2ccccc2s1 ZINC000065563795 373887670 /nfs/dbraw/zinc/88/76/70/373887670.db2.gz IAEWKTWFPQXRSH-UHFFFAOYSA-N 1 0 262.378 2.583 50 0 CFAARO CC[NH+]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000065154860 373846836 /nfs/dbraw/zinc/84/68/36/373846836.db2.gz FTYOOAPPKQUEFB-UHFFFAOYSA-N 1 0 298.434 2.627 50 0 CFAARO CC(C)[N@H+](C/C=C/c1ccccc1)C[C@H]1CCC(=O)N1 ZINC000065374903 373861207 /nfs/dbraw/zinc/86/12/07/373861207.db2.gz OKRHBWYYXXCNDY-YXMGTMDOSA-N 1 0 272.392 2.689 50 0 CFAARO CC(=O)NCCCC1=CC[N@@H+]([C@@H]2C=CCCC2)CC1 ZINC000065381915 373861376 /nfs/dbraw/zinc/86/13/76/373861376.db2.gz FGQNJJYJQGCYCL-MRXNPFEDSA-N 1 0 262.397 2.644 50 0 CFAARO CCC[C@H]1C=CCN1C(=O)C1([NH+]2CCCC2)CCCC1 ZINC000065374833 373861510 /nfs/dbraw/zinc/86/15/10/373861510.db2.gz FESGIFVOKVUEAI-HNNXBMFYSA-N 1 0 276.424 2.962 50 0 CFAARO COc1cccc([C@@H](C)[N@H+](C)Cc2ccc(CO)o2)c1 ZINC000065387971 373863815 /nfs/dbraw/zinc/86/38/15/373863815.db2.gz TWKXUSPBLHFVDD-GFCCVEGCSA-N 1 0 275.348 2.974 50 0 CFAARO Cc1cc(F)ccc1NC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000065417657 373868641 /nfs/dbraw/zinc/86/86/41/373868641.db2.gz ZXJJQEDJTAPCKI-YWPYICTPSA-N 1 0 276.355 2.851 50 0 CFAARO C[N@H+](CCn1ccc2ccccc21)Cc1ccc(CO)o1 ZINC000065406425 373869018 /nfs/dbraw/zinc/86/90/18/373869018.db2.gz CKNZTOCSFNHKMC-UHFFFAOYSA-N 1 0 284.359 2.859 50 0 CFAARO CCc1ccccc1NC(=O)CC[NH2+][C@@H]1CCSC1 ZINC000065432018 373870243 /nfs/dbraw/zinc/87/02/43/373870243.db2.gz HDHCDXHOVBAKCD-CYBMUJFWSA-N 1 0 278.421 2.673 50 0 CFAARO CCc1nc(C)sc1CNC(=O)C[NH+]1CCCCCC1 ZINC000065466545 373876210 /nfs/dbraw/zinc/87/62/10/373876210.db2.gz AWHOHWNZBZZMNS-UHFFFAOYSA-N 1 0 295.452 2.506 50 0 CFAARO COc1c(C[NH2+][C@H]2C[C@H]2c2ccc(F)cc2)c(C)nn1C ZINC000065474465 373877149 /nfs/dbraw/zinc/87/71/49/373877149.db2.gz FRBCLZQHPYMCST-ZFWWWQNUSA-N 1 0 289.354 2.522 50 0 CFAARO Cc1nc(C)n(CCC[NH2+][C@@H]2CCCC(C)(C)C2)n1 ZINC000067725325 373995954 /nfs/dbraw/zinc/99/59/54/373995954.db2.gz PHBVTRAUEKTSOR-CQSZACIVSA-N 1 0 264.417 2.843 50 0 CFAARO Cc1nc(C)n(CCC[NH2+][C@H]2CCCC(C)(C)C2)n1 ZINC000067725328 373997247 /nfs/dbraw/zinc/99/72/47/373997247.db2.gz PHBVTRAUEKTSOR-AWEZNQCLSA-N 1 0 264.417 2.843 50 0 CFAARO Cc1nc(C[NH2+][C@@H](C)CCn2ccnc2C)cs1 ZINC000067740142 373997287 /nfs/dbraw/zinc/99/72/87/373997287.db2.gz KMVXMMZNQFQQIT-JTQLQIEISA-N 1 0 264.398 2.525 50 0 CFAARO CC[NH+](CC)CCn1ccnc1-c1cccc(O)c1 ZINC000067756427 373999293 /nfs/dbraw/zinc/99/92/93/373999293.db2.gz ZMKBIPNELSOUGS-UHFFFAOYSA-N 1 0 259.353 2.598 50 0 CFAARO CCc1nc(C)c(C[N@@H+]2CCCC[C@H]2CCOC)[nH]1 ZINC000067772513 374001085 /nfs/dbraw/zinc/00/10/85/374001085.db2.gz PBWJYKGAYZSWDG-ZDUSSCGKSA-N 1 0 265.401 2.672 50 0 CFAARO CCC[NH+]1CCC(Cc2noc([C@H]3CCCO3)n2)CC1 ZINC000067833912 374007439 /nfs/dbraw/zinc/00/74/39/374007439.db2.gz OZBYAIFMPSVYBL-CYBMUJFWSA-N 1 0 279.384 2.586 50 0 CFAARO C[NH+]1CCC(Cc2noc(-c3cccc4c3OCC4)n2)CC1 ZINC000067908234 374012554 /nfs/dbraw/zinc/01/25/54/374012554.db2.gz MWBLLLSCLDKIDA-UHFFFAOYSA-N 1 0 299.374 2.556 50 0 CFAARO CC(C)NC(=O)NCC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067935319 374015361 /nfs/dbraw/zinc/01/53/61/374015361.db2.gz GZFGYFSKPPLXCG-CQSZACIVSA-N 1 0 293.411 2.589 50 0 CFAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)c(F)c2C)C1 ZINC000067921005 374015806 /nfs/dbraw/zinc/01/58/06/374015806.db2.gz AZPPVBGUMYQEET-OAHLLOKOSA-N 1 0 292.398 2.791 50 0 CFAARO Cc1cccc(C)c1Oc1ncccc1C[NH2+][C@@H](C)CO ZINC000067908651 374015914 /nfs/dbraw/zinc/01/59/14/374015914.db2.gz VDWWWGIWEZEJFV-AWEZNQCLSA-N 1 0 286.375 2.961 50 0 CFAARO Cc1n[nH]c(C)c1CCC[NH2+][C@@H](C)CC(F)(F)F ZINC000067920806 374016124 /nfs/dbraw/zinc/01/61/24/374016124.db2.gz SPXFEYXQYQPIGN-QMMMGPOBSA-N 1 0 263.307 2.890 50 0 CFAARO [NH3+]C[C@@H]1Cc2cccc(-c3ccc(Cl)cn3)c2O1 ZINC000067965953 374017347 /nfs/dbraw/zinc/01/73/47/374017347.db2.gz PUBUBFWCLRLWTI-NSHDSACASA-N 1 0 260.724 2.664 50 0 CFAARO CCc1nc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)ncc1C ZINC000067946549 374017604 /nfs/dbraw/zinc/01/76/04/374017604.db2.gz VMUVIVCCNHFOEB-CYBMUJFWSA-N 1 0 283.375 2.585 50 0 CFAARO COc1cc(C)ccc1C(=O)Nc1cnc2n1CCCC2 ZINC000067965052 374018019 /nfs/dbraw/zinc/01/80/19/374018019.db2.gz IABMOOPVOPGHDB-UHFFFAOYSA-N 1 0 285.347 2.789 50 0 CFAARO COc1c(F)cc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000067946685 374018324 /nfs/dbraw/zinc/01/83/24/374018324.db2.gz PMYYVXDYKDMEIB-MRXNPFEDSA-N 1 0 296.361 2.549 50 0 CFAARO Cc1cc(Cl)ccc1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000067603715 373987039 /nfs/dbraw/zinc/98/70/39/373987039.db2.gz OCKHMOVHIQCSOU-UONOGXRCSA-N 1 0 292.810 2.957 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000069645149 374081063 /nfs/dbraw/zinc/08/10/63/374081063.db2.gz OTDBFALOTYPTPI-MRXNPFEDSA-N 1 0 286.375 2.521 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)cc1OC ZINC000069372114 374057922 /nfs/dbraw/zinc/05/79/22/374057922.db2.gz MYYHEOUBMQKYRX-STQMWFEESA-N 1 0 289.379 2.640 50 0 CFAARO C[N@@H+]1CCC[C@H]1CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000069385620 374058139 /nfs/dbraw/zinc/05/81/39/374058139.db2.gz ACYBJYCTBVXVNL-AWEZNQCLSA-N 1 0 292.810 2.582 50 0 CFAARO C[C@@H]1CCCCN1C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000069415794 374060206 /nfs/dbraw/zinc/06/02/06/374060206.db2.gz DFHXZDJCJQCUMW-GDBMZVCRSA-N 1 0 274.408 2.560 50 0 CFAARO CC(C)Oc1ccccc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000069417827 374061459 /nfs/dbraw/zinc/06/14/59/374061459.db2.gz PAYXOQCNESJZGV-HIFRSBDPSA-N 1 0 290.407 2.560 50 0 CFAARO C[C@@H](CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)[NH+](C)C ZINC000069451538 374063251 /nfs/dbraw/zinc/06/32/51/374063251.db2.gz ROUJOBNTOQRLOY-AWEZNQCLSA-N 1 0 299.418 2.681 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000069463842 374065765 /nfs/dbraw/zinc/06/57/65/374065765.db2.gz BTVNJVYNOLRHNI-OLZOCXBDSA-N 1 0 287.363 2.660 50 0 CFAARO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)N1CCC1 ZINC000069570236 374074668 /nfs/dbraw/zinc/07/46/68/374074668.db2.gz ICXSVNISWMULER-LBPRGKRZSA-N 1 0 280.799 2.955 50 0 CFAARO c1cc(CCN2CCC[C@@H]2C[NH+]2CCCCC2)ccn1 ZINC000069561732 374075304 /nfs/dbraw/zinc/07/53/04/374075304.db2.gz QWUGMEUPMJEYSJ-QGZVFWFLSA-N 1 0 273.424 2.574 50 0 CFAARO Fc1ccc([C@H]([NH2+]CCCn2cncn2)C2CCC2)cc1 ZINC000069950125 374111951 /nfs/dbraw/zinc/11/19/51/374111951.db2.gz OIYSWUDDQOGCLP-MRXNPFEDSA-N 1 0 288.370 2.938 50 0 CFAARO C[C@H]([C@H](C)[NH2+]CCOc1ccccc1F)n1cccn1 ZINC000069972410 374115107 /nfs/dbraw/zinc/11/51/07/374115107.db2.gz QURAZRVHPVUBQG-QWHCGFSZSA-N 1 0 277.343 2.640 50 0 CFAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000070020983 374116684 /nfs/dbraw/zinc/11/66/84/374116684.db2.gz PIPWJUQTLLYDKF-AUNFYEFLSA-N 1 0 282.391 2.704 50 0 CFAARO COc1ccccc1CC[N@H+](C)Cc1c(C)noc1C ZINC000069772925 374095603 /nfs/dbraw/zinc/09/56/03/374095603.db2.gz JRLIDGOMOJOZNP-UHFFFAOYSA-N 1 0 274.364 2.975 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]C[C@@H](O)c2ccccc2Cl)c1 ZINC000069810232 374100488 /nfs/dbraw/zinc/10/04/88/374100488.db2.gz CAXCGZZLOZDYGO-IUODEOHRSA-N 1 0 293.798 2.557 50 0 CFAARO CC(C)[C@H]([NH2+]C[C@@H]1CCOCO1)c1cccs1 ZINC000069895100 374107474 /nfs/dbraw/zinc/10/74/74/374107474.db2.gz YLJGRJNOYUJGBB-AAEUAGOBSA-N 1 0 255.383 2.798 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000070172599 374137993 /nfs/dbraw/zinc/13/79/93/374137993.db2.gz OQRFJHMTGVOCOM-KGLIPLIRSA-N 1 0 260.381 2.503 50 0 CFAARO C[C@H]1CCCN(C(=O)C2CCCCCC2)[C@@H]1C[NH3+] ZINC000070176715 374140953 /nfs/dbraw/zinc/14/09/53/374140953.db2.gz CPJWOUBAKSRLCF-GXTWGEPZSA-N 1 0 252.402 2.543 50 0 CFAARO [NH3+]C[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 ZINC000070434927 374173541 /nfs/dbraw/zinc/17/35/41/374173541.db2.gz JKHPXMVPJWQYGK-HNNXBMFYSA-N 1 0 252.317 2.805 50 0 CFAARO Cc1ccc([C@H](NC(=O)C2([NH3+])CC2)c2ccccc2)cc1 ZINC000071753716 374221506 /nfs/dbraw/zinc/22/15/06/374221506.db2.gz DPAKLVVINCWSLE-MRXNPFEDSA-N 1 0 280.371 2.692 50 0 CFAARO c1ccc2nc(N3CCC[C@H]([NH+]4CCCC4)C3)cnc2c1 ZINC000071816904 374226119 /nfs/dbraw/zinc/22/61/19/374226119.db2.gz RZVHWZACGRGPKZ-AWEZNQCLSA-N 1 0 282.391 2.694 50 0 CFAARO CC(C)[NH2+]C1CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000072606088 374268983 /nfs/dbraw/zinc/26/89/83/374268983.db2.gz CINWOBZPQHPAHH-UHFFFAOYSA-N 1 0 288.435 2.626 50 0 CFAARO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000072632875 374270905 /nfs/dbraw/zinc/27/09/05/374270905.db2.gz QMDOKPHRNDMSIK-NSHDSACASA-N 1 0 291.395 2.608 50 0 CFAARO COC(=O)CC(C)(C)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000072294901 374241869 /nfs/dbraw/zinc/24/18/69/374241869.db2.gz ADGYUZJDWGRCDQ-UHFFFAOYSA-N 1 0 291.391 2.831 50 0 CFAARO COC(=O)/C(C)=C/C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000072309073 374243125 /nfs/dbraw/zinc/24/31/25/374243125.db2.gz UODPEXMWVDODGJ-HBIYDYFMSA-N 1 0 259.349 2.725 50 0 CFAARO COC(=O)/C(C)=C/C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000072309074 374244277 /nfs/dbraw/zinc/24/42/77/374244277.db2.gz UODPEXMWVDODGJ-PABFRNLHSA-N 1 0 259.349 2.725 50 0 CFAARO CC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000073859525 374392665 /nfs/dbraw/zinc/39/26/65/374392665.db2.gz DJEUNLDTPJBFNV-ZDUSSCGKSA-N 1 0 295.452 2.831 50 0 CFAARO CCCn1ccc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc21 ZINC000074807499 374439588 /nfs/dbraw/zinc/43/95/88/374439588.db2.gz DKCIDUVMUARGCZ-AWEZNQCLSA-N 1 0 271.364 2.742 50 0 CFAARO c1ccc2c(c1)c1c(n2Cc2ccncc2)CC[NH2+]C1 ZINC000075567613 374493482 /nfs/dbraw/zinc/49/34/82/374493482.db2.gz MDLAYMMZLHJDFZ-UHFFFAOYSA-N 1 0 263.344 2.730 50 0 CFAARO c1ncn(CC[N@@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000075968339 374515448 /nfs/dbraw/zinc/51/54/48/374515448.db2.gz BDAKPPGTFUADFE-UHFFFAOYSA-N 1 0 262.401 2.715 50 0 CFAARO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000076040534 374525363 /nfs/dbraw/zinc/52/53/63/374525363.db2.gz BWZYZKZKNYDDJS-HOTGVXAUSA-N 1 0 263.381 2.529 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2SC)cc1 ZINC000076147385 374536934 /nfs/dbraw/zinc/53/69/34/374536934.db2.gz IZCUKMUINVPBRC-GJZGRUSLSA-N 1 0 292.448 2.762 50 0 CFAARO C[C@@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000078894853 374572931 /nfs/dbraw/zinc/57/29/31/374572931.db2.gz FHJRINOTVHZLKE-DOMZBBRYSA-N 1 0 292.398 2.512 50 0 CFAARO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947876 374577379 /nfs/dbraw/zinc/57/73/79/374577379.db2.gz HKULEZPUFWSDOV-KGLIPLIRSA-N 1 0 265.426 2.891 50 0 CFAARO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1)C(N)=O ZINC000079029469 374584728 /nfs/dbraw/zinc/58/47/28/374584728.db2.gz JBVYVHWCPPQPQT-HQJQHLMTSA-N 1 0 275.179 2.908 50 0 CFAARO CCc1nc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)cs1 ZINC000083830327 374757404 /nfs/dbraw/zinc/75/74/04/374757404.db2.gz YIHGFOGZAIWWJI-LBPRGKRZSA-N 1 0 290.436 2.878 50 0 CFAARO Cc1cc(NC(=O)c2ccc([C@H]3CCC[NH2+]3)s2)no1 ZINC000082039510 374724430 /nfs/dbraw/zinc/72/44/30/374724430.db2.gz FMQUCUGZNRAOOQ-SECBINFHSA-N 1 0 277.349 2.721 50 0 CFAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000082097912 374726335 /nfs/dbraw/zinc/72/63/35/374726335.db2.gz LGSDAHKEYZLAHI-HNNXBMFYSA-N 1 0 285.391 2.808 50 0 CFAARO c1ccc(OCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000084556828 374781110 /nfs/dbraw/zinc/78/11/10/374781110.db2.gz NQCQSUFEBHVVPU-KRWDZBQOSA-N 1 0 284.359 2.614 50 0 CFAARO c1cn2c(n1)[C@H](C[NH2+]Cc1csc(C3CC3)n1)CCC2 ZINC000084613349 374783913 /nfs/dbraw/zinc/78/39/13/374783913.db2.gz PSSMQUNESPHNEX-LBPRGKRZSA-N 1 0 288.420 2.884 50 0 CFAARO CC(=O)c1c(F)cccc1N[C@H](C)CC[NH+](C)C ZINC000084637215 374786039 /nfs/dbraw/zinc/78/60/39/374786039.db2.gz SUQBSKWOYPPVTM-SNVBAGLBSA-N 1 0 252.333 2.780 50 0 CFAARO COCCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000089410299 374901552 /nfs/dbraw/zinc/90/15/52/374901552.db2.gz SKAJACLTWZRVKA-AWEZNQCLSA-N 1 0 251.395 2.643 50 0 CFAARO Cc1ccc(C[NH2+]Cc2cnn(C)c2)c(OCC2CC2)c1 ZINC000088745615 374862570 /nfs/dbraw/zinc/86/25/70/374862570.db2.gz FFZLECLMCJDSGI-UHFFFAOYSA-N 1 0 285.391 2.807 50 0 CFAARO Cc1cccn2c(C[NH2+]C[C@@H]3CCCn4ccnc43)cnc12 ZINC000089700476 374939251 /nfs/dbraw/zinc/93/92/51/374939251.db2.gz AQZHEAFRHXJOEQ-AWEZNQCLSA-N 1 0 295.390 2.506 50 0 CFAARO CC(C)N1CC[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1=O ZINC000089728478 374942797 /nfs/dbraw/zinc/94/27/97/374942797.db2.gz OEEBVTCXUFMGFR-NEPJUHHUSA-N 1 0 272.458 2.506 50 0 CFAARO C[C@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000089894493 374965541 /nfs/dbraw/zinc/96/55/41/374965541.db2.gz CTKWVVYDDQWUAG-SNVBAGLBSA-N 1 0 292.379 2.908 50 0 CFAARO COc1ccc(C[N@H+](C)CC[C@@H](C)O)cc1Cl ZINC000089895447 374966696 /nfs/dbraw/zinc/96/66/96/374966696.db2.gz KVOHADLANLVMFK-SNVBAGLBSA-N 1 0 257.761 2.551 50 0 CFAARO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)C(C)(C)O1 ZINC000090801739 375030317 /nfs/dbraw/zinc/03/03/17/375030317.db2.gz PJGYASRRFIRTFZ-ZIAGYGMSSA-N 1 0 289.423 2.596 50 0 CFAARO COc1c(C[N@H+](C)[C@H](C)Cc2cccs2)c(C)nn1C ZINC000093706063 375301438 /nfs/dbraw/zinc/30/14/38/375301438.db2.gz FLGRXKOKDMFDSH-LLVKDONJSA-N 1 0 293.436 2.862 50 0 CFAARO CCSC[C@@H](C)[N@H+](C)Cc1cnc2nc(C)cc(C)n12 ZINC000093739421 375304899 /nfs/dbraw/zinc/30/48/99/375304899.db2.gz KJOHDYWHIZPTEB-CYBMUJFWSA-N 1 0 292.452 2.920 50 0 CFAARO COc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506959 375258000 /nfs/dbraw/zinc/25/80/00/375258000.db2.gz NGHYVUFFYNSIIJ-ZBFHGGJFSA-N 1 0 261.365 2.696 50 0 CFAARO CC(C)[NH+](CC(=O)NCC1CCCCC1)C(C)C ZINC000095459774 375456837 /nfs/dbraw/zinc/45/68/37/375456837.db2.gz NCCVHDSANQSZCN-UHFFFAOYSA-N 1 0 254.418 2.802 50 0 CFAARO Cc1ccc(CCN(Cc2ccco2)C(=O)[C@H](C)[NH3+])cc1 ZINC000095466788 375458066 /nfs/dbraw/zinc/45/80/66/375458066.db2.gz OTGGXVMYBWBOGM-AWEZNQCLSA-N 1 0 286.375 2.507 50 0 CFAARO CCCn1nc(-c2ccncc2)nc1[C@H]1CCC[NH2+]CC1 ZINC000096166271 375472822 /nfs/dbraw/zinc/47/28/22/375472822.db2.gz QFEBXNKEXZEQRU-AWEZNQCLSA-N 1 0 285.395 2.607 50 0 CFAARO CCN(CC[NH+](C)C)C(=O)Nc1ccc2ncccc2c1 ZINC000095500672 375461674 /nfs/dbraw/zinc/46/16/74/375461674.db2.gz DOVAIHYQHGNFRX-UHFFFAOYSA-N 1 0 286.379 2.650 50 0 CFAARO c1ccc(-c2nnc(SCC3CC[NH2+]CC3)o2)cc1 ZINC000095908618 375463491 /nfs/dbraw/zinc/46/34/91/375463491.db2.gz KYUMLKMQLPRQTQ-UHFFFAOYSA-N 1 0 275.377 2.828 50 0 CFAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cnccn1 ZINC000095978069 375464484 /nfs/dbraw/zinc/46/44/84/375464484.db2.gz PINBWMGEABGTND-WQGACYEGSA-N 1 0 289.354 2.779 50 0 CFAARO CC1CC[NH+](C2CCC(Nc3ncccn3)CC2)CC1 ZINC000095973090 375464568 /nfs/dbraw/zinc/46/45/68/375464568.db2.gz DCWLWWGROMCUBV-UHFFFAOYSA-N 1 0 274.412 2.932 50 0 CFAARO C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCSCC1 ZINC000095988259 375464609 /nfs/dbraw/zinc/46/46/09/375464609.db2.gz DKRZSJNMPSMZEY-CQSZACIVSA-N 1 0 278.465 2.992 50 0 CFAARO c1[nH]nc2c1cccc2C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000095988977 375466993 /nfs/dbraw/zinc/46/69/93/375466993.db2.gz WBEVGFVWKDAEJR-INIZCTEOSA-N 1 0 292.386 2.931 50 0 CFAARO C[C@@]1([NH2+]Cc2ccccc2C(F)(F)F)CCOC1 ZINC000095988512 375467120 /nfs/dbraw/zinc/46/71/20/375467120.db2.gz ZUKIQXLOGNQVEF-GFCCVEGCSA-N 1 0 259.271 2.974 50 0 CFAARO CC(C)C(=O)Nc1ccc(-c2c[nH+]ccc2N)cc1 ZINC000096136816 375468948 /nfs/dbraw/zinc/46/89/48/375468948.db2.gz RFWSFGHANKOFIH-UHFFFAOYSA-N 1 0 255.321 2.925 50 0 CFAARO CC[NH+]1CCC(CC(=O)N[C@H](C)Cc2ccsc2)CC1 ZINC000095352420 375418159 /nfs/dbraw/zinc/41/81/59/375418159.db2.gz RURGLQUMFIVQRH-CYBMUJFWSA-N 1 0 294.464 2.917 50 0 CFAARO Cc1ccnc(NCC2([NH+]3CCCC3)CCCC2)n1 ZINC000095358499 375419447 /nfs/dbraw/zinc/41/94/47/375419447.db2.gz CCWVVPCMBAAYHD-UHFFFAOYSA-N 1 0 260.385 2.606 50 0 CFAARO CCCCn1nc(C2CC2)nc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000096164990 375473616 /nfs/dbraw/zinc/47/36/16/375473616.db2.gz AKVKGPLCXJCCAW-OLZOCXBDSA-N 1 0 262.401 2.941 50 0 CFAARO CCCn1nc(CCOC)nc1[C@@H]([NH3+])CC1CCCCC1 ZINC000096166498 375473666 /nfs/dbraw/zinc/47/36/66/375473666.db2.gz MAPCJWIOVKXIDA-AWEZNQCLSA-N 1 0 294.443 2.847 50 0 CFAARO COc1cccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000095381376 375426363 /nfs/dbraw/zinc/42/63/63/375426363.db2.gz IQMPXMGBHZKNFU-HNNXBMFYSA-N 1 0 290.407 2.576 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(F)c1 ZINC000095382620 375426861 /nfs/dbraw/zinc/42/68/61/375426861.db2.gz QPVJTNKIMCPJBS-OAHLLOKOSA-N 1 0 278.371 2.706 50 0 CFAARO COc1cccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000095381375 375427351 /nfs/dbraw/zinc/42/73/51/375427351.db2.gz IQMPXMGBHZKNFU-OAHLLOKOSA-N 1 0 290.407 2.576 50 0 CFAARO C[C@@H](CCCC(C)(C)O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000095388073 375428071 /nfs/dbraw/zinc/42/80/71/375428071.db2.gz CWTCDHPXXZBULR-ZDUSSCGKSA-N 1 0 279.428 2.735 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](Cc1cccnc1)CC2 ZINC000095388597 375428276 /nfs/dbraw/zinc/42/82/76/375428276.db2.gz XVACKXOLRJGORT-UHFFFAOYSA-N 1 0 268.360 2.691 50 0 CFAARO c1cncc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)c1 ZINC000095388436 375428679 /nfs/dbraw/zinc/42/86/79/375428679.db2.gz VFQQYWFYOFHVIH-ZWKOTPCHSA-N 1 0 285.435 2.778 50 0 CFAARO CC(C)c1cc(N2CCC[C@]3(CC[N@H+](C)C3)C2)ncn1 ZINC000095388108 375428840 /nfs/dbraw/zinc/42/88/40/375428840.db2.gz UKTCJWKGPWOXOJ-MRXNPFEDSA-N 1 0 274.412 2.522 50 0 CFAARO COc1ccc([C@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000095419758 375439204 /nfs/dbraw/zinc/43/92/04/375439204.db2.gz KGRNMMCLMKNCSO-OLZOCXBDSA-N 1 0 292.423 2.692 50 0 CFAARO COc1ccc([C@@H](O)C[NH2+][C@@H](C(C)C)C2CC2)cc1 ZINC000095419750 375439353 /nfs/dbraw/zinc/43/93/53/375439353.db2.gz GRQIORXCBIUESR-HOTGVXAUSA-N 1 0 263.381 2.753 50 0 CFAARO CC[C@@H](COc1ccccc1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000095422430 375440386 /nfs/dbraw/zinc/44/03/86/375440386.db2.gz WRMHKQSBGPNDJG-HIFRSBDPSA-N 1 0 273.380 2.928 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000095422505 375440670 /nfs/dbraw/zinc/44/06/70/375440670.db2.gz NPPKQAQPXKIOEA-ZBFHGGJFSA-N 1 0 263.381 2.841 50 0 CFAARO C[C@@H](CCO)[NH2+][C@@H]1CCCSc2ccccc21 ZINC000095422781 375442906 /nfs/dbraw/zinc/44/29/06/375442906.db2.gz BPKNFAYAYPNBCW-WCQYABFASA-N 1 0 251.395 2.974 50 0 CFAARO COCc1cc(SCC[NH+](C)C)nc(C(C)(C)C)n1 ZINC000095433658 375446482 /nfs/dbraw/zinc/44/64/82/375446482.db2.gz GMDLKJLUPPSRHJ-UHFFFAOYSA-N 1 0 283.441 2.574 50 0 CFAARO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2cccc(O)c2)c1 ZINC000095448265 375453439 /nfs/dbraw/zinc/45/34/39/375453439.db2.gz ANVBCIQUIGNORE-UHFFFAOYSA-N 1 0 298.386 2.943 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000097159263 375531488 /nfs/dbraw/zinc/53/14/88/375531488.db2.gz SNVCCWMGLJLJAU-KRWDZBQOSA-N 1 0 298.434 2.781 50 0 CFAARO Cc1nc(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)cs1 ZINC000097159591 375533411 /nfs/dbraw/zinc/53/34/11/375533411.db2.gz VXRHSJVZHXQNQI-UHFFFAOYSA-N 1 0 299.403 2.569 50 0 CFAARO CCOc1ccc(CN2CC[C@H](C[NH3+])C2)c(OCC)c1C ZINC000097173314 375536786 /nfs/dbraw/zinc/53/67/86/375536786.db2.gz KQUVATHEJXTBAS-CQSZACIVSA-N 1 0 292.423 2.573 50 0 CFAARO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCN2CCOC2=O)C1 ZINC000096441535 375486293 /nfs/dbraw/zinc/48/62/93/375486293.db2.gz JWIACOQJQILTOG-WFASDCNBSA-N 1 0 292.354 2.661 50 0 CFAARO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cccn1C ZINC000097230196 375542784 /nfs/dbraw/zinc/54/27/84/375542784.db2.gz COLHJIRLWAMTOI-DGCLKSJQSA-N 1 0 264.394 2.688 50 0 CFAARO COCC(C)(C)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000097037651 375498068 /nfs/dbraw/zinc/49/80/68/375498068.db2.gz DGTMBZIGCLIYQM-SNVBAGLBSA-N 1 0 255.333 2.910 50 0 CFAARO CC(C)Cn1cc(N[C@@H](C)C2CC[NH+](C)CC2)cn1 ZINC000097038698 375498671 /nfs/dbraw/zinc/49/86/71/375498671.db2.gz HNLJKLVBZRGSNU-ZDUSSCGKSA-N 1 0 264.417 2.681 50 0 CFAARO O=C(Nc1ncccc1Cl)c1ccn2c[nH+]cc2c1 ZINC000097046964 375501180 /nfs/dbraw/zinc/50/11/80/375501180.db2.gz IRNBXGZWVGVYAW-UHFFFAOYSA-N 1 0 272.695 2.635 50 0 CFAARO CC(=O)N1CCC(C[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000097098882 375516338 /nfs/dbraw/zinc/51/63/38/375516338.db2.gz RCCNBDISHOJNAW-PBHICJAKSA-N 1 0 278.440 2.827 50 0 CFAARO CC(C)c1csc(CN2CCC[C@@H]([NH3+])CC2)n1 ZINC000097243959 375544774 /nfs/dbraw/zinc/54/47/74/375544774.db2.gz NXZGSCRNCPRVQI-LLVKDONJSA-N 1 0 253.415 2.580 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000097140108 375528819 /nfs/dbraw/zinc/52/88/19/375528819.db2.gz DTENZIZQEMKXPA-GOSISDBHSA-N 1 0 298.434 2.953 50 0 CFAARO C[S@](=O)C[C@@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000097143293 375529809 /nfs/dbraw/zinc/52/98/09/375529809.db2.gz JFYSNDCWVWBSKL-RDTXWAMCSA-N 1 0 279.430 2.958 50 0 CFAARO CCC(=O)N1CC[C@H](Nc2cc[nH+]c3c(C)cccc23)C1 ZINC000098020463 375591648 /nfs/dbraw/zinc/59/16/48/375591648.db2.gz HCVYCSZZBVRSQJ-ZDUSSCGKSA-N 1 0 283.375 2.966 50 0 CFAARO Cc1ccc(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)s1 ZINC000097376109 375554438 /nfs/dbraw/zinc/55/44/38/375554438.db2.gz KFSPDXHKTGJNKD-AWEZNQCLSA-N 1 0 278.421 2.547 50 0 CFAARO COC(=O)[C@@H](C)Cc1ccc(NC2CC[NH+](C)CC2)cc1 ZINC000097378090 375555559 /nfs/dbraw/zinc/55/55/59/375555559.db2.gz ZJBQFELXRKKWQH-ZDUSSCGKSA-N 1 0 290.407 2.544 50 0 CFAARO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC=CC1 ZINC000097378877 375556306 /nfs/dbraw/zinc/55/63/06/375556306.db2.gz PPQZYQWXXYHCCV-PBHICJAKSA-N 1 0 284.403 2.589 50 0 CFAARO C[N@@H+]1CCCC[C@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000097425683 375558660 /nfs/dbraw/zinc/55/86/60/375558660.db2.gz SLOLPXGMPAFNJL-KRWDZBQOSA-N 1 0 299.418 2.632 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC000097638052 375575515 /nfs/dbraw/zinc/57/55/15/375575515.db2.gz VDXCNTMALPYFDL-AWEZNQCLSA-N 1 0 299.374 2.556 50 0 CFAARO CNc1nc(NCCc2c[nH]c3ccccc23)cc(C)[nH+]1 ZINC000098086753 375602159 /nfs/dbraw/zinc/60/21/59/375602159.db2.gz ZHWVMOXAZGANGP-UHFFFAOYSA-N 1 0 281.363 2.963 50 0 CFAARO Cc1noc(C)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000098211878 375610013 /nfs/dbraw/zinc/61/00/13/375610013.db2.gz VNIJAXYDTCMPAF-UHFFFAOYSA-N 1 0 277.412 2.742 50 0 CFAARO CCCOCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103091979 375714045 /nfs/dbraw/zinc/71/40/45/375714045.db2.gz OUPIDFHKEVCPKG-MRXNPFEDSA-N 1 0 296.455 2.528 50 0 CFAARO Cn1cncc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000112340495 375906634 /nfs/dbraw/zinc/90/66/34/375906634.db2.gz XIKARMBRPOHWEB-WDEREUQCSA-N 1 0 261.291 2.631 50 0 CFAARO c1c[n+](COCc2ccccc2)cn1COC1CCCC1 ZINC000261492971 190039142 /nfs/dbraw/zinc/03/91/42/190039142.db2.gz RPEWBGKDKLRSGE-UHFFFAOYSA-N 1 0 287.383 2.867 50 0 CFAARO CCCOC[n+]1ccn(Cc2ccc(Cl)cc2)c1 ZINC000261492818 190039181 /nfs/dbraw/zinc/03/91/81/190039181.db2.gz GEMHFDDCCQZGLK-UHFFFAOYSA-N 1 0 265.764 2.861 50 0 CFAARO CC(C)COCn1cc[n+](COCc2ccccc2)c1 ZINC000261492918 190039308 /nfs/dbraw/zinc/03/93/08/190039308.db2.gz NQMYJWXGUAKDGO-UHFFFAOYSA-N 1 0 275.372 2.580 50 0 CFAARO CC(C)OC(=O)CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125537618 377168442 /nfs/dbraw/zinc/16/84/42/377168442.db2.gz HXVDMPFLQQVXAF-CQSZACIVSA-N 1 0 262.353 2.560 50 0 CFAARO CCCN(C(=O)c1cc(C)c(F)cc1F)C1CC[NH2+]CC1 ZINC000135289727 378112346 /nfs/dbraw/zinc/11/23/46/378112346.db2.gz RAIUEYWZNQRICS-UHFFFAOYSA-N 1 0 296.361 2.877 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCn1cnnc1C1CC1 ZINC000152588587 378430786 /nfs/dbraw/zinc/43/07/86/378430786.db2.gz BOGFYYRZCJJFCH-HIFRSBDPSA-N 1 0 274.412 2.738 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCn1cnnc1C1CC1 ZINC000152588691 378431633 /nfs/dbraw/zinc/43/16/33/378431633.db2.gz BOGFYYRZCJJFCH-ZFWWWQNUSA-N 1 0 274.412 2.738 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000157790470 378659678 /nfs/dbraw/zinc/65/96/78/378659678.db2.gz VEBHBCLKROWXDX-SNVBAGLBSA-N 1 0 278.739 2.650 50 0 CFAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccon1 ZINC000048343395 412903121 /nfs/dbraw/zinc/90/31/21/412903121.db2.gz TUKQVIJQXWUVMB-UHFFFAOYSA-N 1 0 271.320 2.523 50 0 CFAARO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CCCOc1ccc(F)cc1 ZINC000170595536 379124019 /nfs/dbraw/zinc/12/40/19/379124019.db2.gz MUJXQGJJZWUKBN-QWHCGFSZSA-N 1 0 297.370 2.772 50 0 CFAARO CC(C)COC[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000170599666 379124713 /nfs/dbraw/zinc/12/47/13/379124713.db2.gz PGFVWSUKTALBPE-OLZOCXBDSA-N 1 0 283.437 2.701 50 0 CFAARO CCN(CCC[NH+](C)C)c1ncnc2cc(F)c(F)cc21 ZINC000170604974 379126266 /nfs/dbraw/zinc/12/62/66/379126266.db2.gz ICYWAMANWHNHHH-UHFFFAOYSA-N 1 0 294.349 2.686 50 0 CFAARO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCOC2)cc1 ZINC000170605297 379127597 /nfs/dbraw/zinc/12/75/97/379127597.db2.gz OTMXDCHGIGJOEJ-AWEZNQCLSA-N 1 0 276.380 2.503 50 0 CFAARO CSc1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000171239712 379258245 /nfs/dbraw/zinc/25/82/45/379258245.db2.gz VRNULQOISMMISH-UHFFFAOYSA-N 1 0 293.432 2.993 50 0 CFAARO CN1C[C@@H](CC[N@H+]2CC=C(c3ccccc3)CC2)OC1=O ZINC000000000304 169502387 /nfs/dbraw/zinc/50/23/87/169502387.db2.gz YUORBURTMIUPMW-MRXNPFEDSA-N 1 0 286.375 2.616 50 0 in-man CFAARO Cc1ccccc1C(C)(C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000179218067 380519230 /nfs/dbraw/zinc/51/92/30/380519230.db2.gz KPKBBEBDEUAOPX-CABCVRRESA-N 1 0 288.435 2.858 50 0 CFAARO O[C@H](C[NH2+]C1CC1)Cn1c2ccccc2c2ccccc21 ZINC000000129528 169546721 /nfs/dbraw/zinc/54/67/21/169546721.db2.gz VRGIOLYGCLOIJI-CQSZACIVSA-N 1 0 280.371 2.907 50 0 CFAARO O=C1C[N+](=O)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000100553551 296313858 /nfs/dbraw/zinc/31/38/58/296313858.db2.gz UBVFTAANHVKCRX-OAHLLOKOSA-N 1 0 286.718 2.963 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000409420987 380959486 /nfs/dbraw/zinc/95/94/86/380959486.db2.gz RSKWHQSHRDDWIK-ZDUSSCGKSA-N 1 0 299.374 2.824 50 0 CFAARO CC(C)Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000408519130 380936251 /nfs/dbraw/zinc/93/62/51/380936251.db2.gz AUEVANPMWBAIHY-WMLDXEAASA-N 1 0 288.435 2.766 50 0 CFAARO COc1cc(C[C@H](C)[NH2+]Cc2ccccc2)ccn1 ZINC000408525887 380943004 /nfs/dbraw/zinc/94/30/04/380943004.db2.gz DIELZFDHLFUYCX-ZDUSSCGKSA-N 1 0 256.349 2.811 50 0 CFAARO O=C(c1ccco1)N1CC[NH+](C2CCCCCC2)CC1 ZINC000000239030 169583497 /nfs/dbraw/zinc/58/34/97/169583497.db2.gz CXTTZSXFPZCNPD-UHFFFAOYSA-N 1 0 276.380 2.760 50 0 CFAARO OC[C@H]1CCCC[N@H+](Cc2sccc2Cl)C1 ZINC000373256260 381962978 /nfs/dbraw/zinc/96/29/78/381962978.db2.gz AIFOJMSDHJAXMM-JTQLQIEISA-N 1 0 259.802 2.996 50 0 CFAARO Cc1ccccc1C[N@H+](CCn1cccn1)C[C@H]1CCCO1 ZINC000299766935 382044288 /nfs/dbraw/zinc/04/42/88/382044288.db2.gz DXMOXOPJPNBYDP-GOSISDBHSA-N 1 0 299.418 2.873 50 0 CFAARO C[C@@H](C[NH3+])Oc1cccc(CN(C)Cc2cscn2)c1 ZINC000299769182 382044775 /nfs/dbraw/zinc/04/47/75/382044775.db2.gz LCCLKUFUTSUYCB-LBPRGKRZSA-N 1 0 291.420 2.501 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCN1CC(Oc2ccccc2F)C1 ZINC000299780357 382046144 /nfs/dbraw/zinc/04/61/44/382046144.db2.gz KVRFQIRLZASICI-AWEZNQCLSA-N 1 0 292.398 2.763 50 0 CFAARO CC1=CC[N@H+](C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000299792627 382048274 /nfs/dbraw/zinc/04/82/74/382048274.db2.gz FYOITVLBQBTHAM-HNNXBMFYSA-N 1 0 270.376 2.692 50 0 CFAARO COCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299789482 382048889 /nfs/dbraw/zinc/04/88/89/382048889.db2.gz YCNOUBBPRXGTFF-ZNMIVQPWSA-N 1 0 299.374 2.909 50 0 CFAARO COC(=O)Nc1ccc2n(C)c(-c3ccccc3)c[n+]2c1 ZINC000000387374 169626389 /nfs/dbraw/zinc/62/63/89/169626389.db2.gz MKALUUJMYBNGDQ-UHFFFAOYSA-O 1 0 282.323 2.609 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2O)C1 ZINC000187879287 382286479 /nfs/dbraw/zinc/28/64/79/382286479.db2.gz URLDGLUOTOXKON-UBDQQSCGSA-N 1 0 288.435 2.715 50 0 CFAARO Cc1csc(SCCCN2CC[NH+](C(C)C)CC2)n1 ZINC000188242737 382375354 /nfs/dbraw/zinc/37/53/54/382375354.db2.gz AKCJHRRGGAFMHU-UHFFFAOYSA-N 1 0 299.509 2.960 50 0 CFAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188366259 382400454 /nfs/dbraw/zinc/40/04/54/382400454.db2.gz MNVVDOGSELCODT-SNVBAGLBSA-N 1 0 293.436 2.543 50 0 CFAARO CC1CC[NH+](C[C@H]2CCC[N@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC000188962020 382512280 /nfs/dbraw/zinc/51/22/80/382512280.db2.gz OHTMGXMSENDZNW-ROUUACIJSA-N 1 0 294.483 2.999 50 0 CFAARO O=C1OCCN1CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000189313477 382590044 /nfs/dbraw/zinc/59/00/44/382590044.db2.gz AXDNOQXRSXXTSF-MNOVXSKESA-N 1 0 294.317 2.539 50 0 CFAARO CC(C)[C@@H](c1ccc(F)cc1)N(C)Cc1ncnn1C ZINC000390835273 382619460 /nfs/dbraw/zinc/61/94/60/382619460.db2.gz ITOSPDKAEIGZFY-HNNXBMFYSA-N 1 0 276.359 2.783 50 0 CFAARO Cn1c(C[NH2+][C@H]2CCCC2(C)C)nnc1C1CCC1 ZINC000191303034 382698128 /nfs/dbraw/zinc/69/81/28/382698128.db2.gz WIKPQBZIFRHTJL-LBPRGKRZSA-N 1 0 262.401 2.751 50 0 CFAARO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000191619022 382701570 /nfs/dbraw/zinc/70/15/70/382701570.db2.gz JNKRBWQQWXERNM-KOLCDFICSA-N 1 0 288.185 2.683 50 0 CFAARO Cn1cc(Cl)cc1C[N@H+](C)CCO[C@H]1CCCCO1 ZINC000193065829 382715220 /nfs/dbraw/zinc/71/52/20/382715220.db2.gz RFDZLDOCUZOQQQ-AWEZNQCLSA-N 1 0 286.803 2.654 50 0 CFAARO CC(C)[NH2+]CCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000193483542 382720200 /nfs/dbraw/zinc/72/02/00/382720200.db2.gz INBQMVHICFJJQM-UHFFFAOYSA-N 1 0 294.414 2.805 50 0 CFAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000195529696 382768721 /nfs/dbraw/zinc/76/87/21/382768721.db2.gz RYBBGEILDAKLLE-ZWKOTPCHSA-N 1 0 294.398 2.573 50 0 CFAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000195535218 382769067 /nfs/dbraw/zinc/76/90/67/382769067.db2.gz URVHQZPJVOGIPC-FMTVUPSXSA-N 1 0 286.466 2.621 50 0 CFAARO [NH3+]CCCC(=O)N1CCC[C@@H]1[C@H]1CCCc2ccccc21 ZINC000195542486 382769353 /nfs/dbraw/zinc/76/93/53/382769353.db2.gz YCEHFSADVDDUHS-DLBZAZTESA-N 1 0 286.419 2.836 50 0 CFAARO COc1cc(Cl)ccc1C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000219894241 382794508 /nfs/dbraw/zinc/79/45/08/382794508.db2.gz KASHGKNKZUZXAF-GFCCVEGCSA-N 1 0 296.798 2.611 50 0 CFAARO CSc1ccc2c(c1)CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000214980363 382777387 /nfs/dbraw/zinc/77/73/87/382777387.db2.gz OEUQSXZFHIWQDL-ZDUSSCGKSA-N 1 0 276.449 2.766 50 0 CFAARO O[C@@H]1CC[N@H+](Cc2cnn(-c3ccc4ccccc4c3)c2)C1 ZINC000215810402 382780905 /nfs/dbraw/zinc/78/09/05/382780905.db2.gz HRGRBZLGALDAMB-GOSISDBHSA-N 1 0 293.370 2.592 50 0 CFAARO COc1cc2c(cc1C[N@H+](C)CCn1ccnc1)CCC2 ZINC000215874485 382780950 /nfs/dbraw/zinc/78/09/50/382780950.db2.gz GKBSFHRDAQBWER-UHFFFAOYSA-N 1 0 285.391 2.512 50 0 CFAARO CCCCSc1ncc(CN2CCC[C@H](OC)C2)cn1 ZINC000215999735 382781253 /nfs/dbraw/zinc/78/12/53/382781253.db2.gz UFZSKIRCWLOUHR-AWEZNQCLSA-N 1 0 295.452 2.980 50 0 CFAARO COC[C@H]1CC[N@H+](Cc2ccc3cccc(OC)c3n2)C1 ZINC000215957598 382781324 /nfs/dbraw/zinc/78/13/24/382781324.db2.gz DFZMJJJXTMTPDO-ZDUSSCGKSA-N 1 0 286.375 2.712 50 0 CFAARO CS[C@H](C)CC[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000216110801 382782210 /nfs/dbraw/zinc/78/22/10/382782210.db2.gz TWKNAEDZZKZSHV-GFCCVEGCSA-N 1 0 299.509 2.711 50 0 CFAARO CCc1ccc(C[N@@H+]2CC[C@@H](n3nc(C)cc3C)C2)nc1 ZINC000216239733 382782753 /nfs/dbraw/zinc/78/27/53/382782753.db2.gz JSWBSZYIBMAUGM-QGZVFWFLSA-N 1 0 284.407 2.904 50 0 CFAARO Cc1cc(C[N@H+](C)CC[C@@H](O)c2ccccc2)on1 ZINC000216375751 382783043 /nfs/dbraw/zinc/78/30/43/382783043.db2.gz HSGZSSURWLHSFZ-OAHLLOKOSA-N 1 0 260.337 2.539 50 0 CFAARO Oc1cccc(CN2CCCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000216397466 382783153 /nfs/dbraw/zinc/78/31/53/382783153.db2.gz QABIYOSCUBIUGF-MRXNPFEDSA-N 1 0 274.408 2.843 50 0 CFAARO Cc1c(CN(C)C(=O)C[NH+]2CCCC2)[nH]c2ccccc12 ZINC000219264716 382793228 /nfs/dbraw/zinc/79/32/28/382793228.db2.gz WFTZKEUKKRQXCC-UHFFFAOYSA-N 1 0 285.391 2.531 50 0 CFAARO OCC[NH+](CCO)Cc1ccc(C2CCCCC2)s1 ZINC000219279157 382793278 /nfs/dbraw/zinc/79/32/78/382793278.db2.gz OUEVMUAPMPFGKB-UHFFFAOYSA-N 1 0 283.437 2.582 50 0 CFAARO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc2c(c1)CCCC2 ZINC000221248702 382797726 /nfs/dbraw/zinc/79/77/26/382797726.db2.gz SZVFLHHOXPBQDC-KRWDZBQOSA-N 1 0 286.419 2.732 50 0 CFAARO Cc1cc(C)c(C[N@H+]2CCCN(C)CC2)c(-n2cccn2)c1 ZINC000223590646 382805746 /nfs/dbraw/zinc/80/57/46/382805746.db2.gz OPZFDTCRRWWQSG-UHFFFAOYSA-N 1 0 298.434 2.627 50 0 CFAARO CC[C@H]([NH2+]Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000225475417 382816712 /nfs/dbraw/zinc/81/67/12/382816712.db2.gz XFTWNZCWFWZDAM-KOLCDFICSA-N 1 0 288.185 2.947 50 0 CFAARO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CC1CC1)C(C)(C)C ZINC000225589425 382818704 /nfs/dbraw/zinc/81/87/04/382818704.db2.gz IBFDBQKJDDGXML-GFCCVEGCSA-N 1 0 270.417 2.925 50 0 CFAARO Cc1cnc(CN2CCN(c3ccccc3F)C[C@H]2C)o1 ZINC000225600669 382818855 /nfs/dbraw/zinc/81/88/55/382818855.db2.gz BHVDARCJDVJWTG-GFCCVEGCSA-N 1 0 289.354 2.833 50 0 CFAARO CCS[C@H]1CCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000233842562 382872349 /nfs/dbraw/zinc/87/23/49/382872349.db2.gz ATQCPKJYYGGPLX-OLZOCXBDSA-N 1 0 253.415 2.537 50 0 CFAARO CC[C@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237007808 382943635 /nfs/dbraw/zinc/94/36/35/382943635.db2.gz MJUIVTBTOXCHIM-HIFRSBDPSA-N 1 0 290.407 2.527 50 0 CFAARO CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000237088328 382949949 /nfs/dbraw/zinc/94/99/49/382949949.db2.gz RQAQOUVFHVZMPG-ZIAGYGMSSA-N 1 0 292.810 2.654 50 0 CFAARO NC(=O)CC[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000535083749 382952607 /nfs/dbraw/zinc/95/26/07/382952607.db2.gz ZCCXGUJHQOOWDA-BGGTVIOKSA-N 1 0 290.382 2.816 50 0 CFAARO CSCc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000237385577 382958927 /nfs/dbraw/zinc/95/89/27/382958927.db2.gz HLKPYTOSDACDGT-RISCZKNCSA-N 1 0 278.421 2.501 50 0 CFAARO CCCCc1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000236895837 382928334 /nfs/dbraw/zinc/92/83/34/382928334.db2.gz KDLALBXHWDPMFD-PBHICJAKSA-N 1 0 288.435 2.910 50 0 CFAARO COC1([C@@H](C)[NH2+]Cc2scnc2C)CCCC1 ZINC000421829515 382936261 /nfs/dbraw/zinc/93/62/61/382936261.db2.gz IFEBTZDMTUKHOR-LLVKDONJSA-N 1 0 254.399 2.889 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 ZINC000237925030 382974747 /nfs/dbraw/zinc/97/47/47/382974747.db2.gz PWOJVMWJJGSWLP-YEZKRMTDSA-N 1 0 285.174 2.566 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCSc1nc(=O)ccn1C1CC1 ZINC000242302078 382985610 /nfs/dbraw/zinc/98/56/10/382985610.db2.gz YPIWXGLXOPEAFO-LBPRGKRZSA-N 1 0 293.436 2.545 50 0 CFAARO O[C@@]1(c2ccccc2)CC[N@H+](CCCc2ccco2)C1 ZINC000244602107 382989723 /nfs/dbraw/zinc/98/97/23/382989723.db2.gz DXPQVKYKVPRUCH-KRWDZBQOSA-N 1 0 271.360 2.806 50 0 CFAARO CCn1ccc(C[N@H+](C)[C@H](C)Cc2ncccc2C)n1 ZINC000244719011 382990812 /nfs/dbraw/zinc/99/08/12/382990812.db2.gz LUYGLLLKFNYOJE-CQSZACIVSA-N 1 0 272.396 2.669 50 0 CFAARO COc1ccccc1OCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000244691849 382991843 /nfs/dbraw/zinc/99/18/43/382991843.db2.gz JKAJZAKJRFQJLP-CQSZACIVSA-N 1 0 279.380 2.575 50 0 CFAARO c1ccc2c(c1)[nH]c1c2CC[N@@H+](C[C@H]2CCOC2)C1 ZINC000244795115 382992817 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382968848 /nfs/dbraw/zinc/96/88/48/382968848.db2.gz JYVUXQUETHOYJZ-SCRDCRAPSA-N 1 0 280.437 2.513 50 0 CFAARO Cc1cccc(C)c1NC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000583651266 383091346 /nfs/dbraw/zinc/09/13/46/383091346.db2.gz JTBDOUIJVDPYID-BETUJISGSA-N 1 0 261.369 2.518 50 0 CFAARO CCOCC[N@@H+]1CCN(C/C=C/c2ccccc2)C[C@H]1C ZINC000247217754 383154217 /nfs/dbraw/zinc/15/42/17/383154217.db2.gz QGSPMAVROBEOBD-PYUISTEWSA-N 1 0 288.435 2.742 50 0 CFAARO COCCN1CC[N@@H+]([C@H](C)CCc2ccccc2)C[C@H]1C ZINC000247388755 383169116 /nfs/dbraw/zinc/16/91/16/383169116.db2.gz WVOWAMIWMAHPIN-IAGOWNOFSA-N 1 0 290.451 2.660 50 0 CFAARO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000249050955 383321973 /nfs/dbraw/zinc/32/19/73/383321973.db2.gz OHMOVNCMRHZCMP-UONOGXRCSA-N 1 0 292.448 2.519 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000249062791 383323517 /nfs/dbraw/zinc/32/35/17/383323517.db2.gz IEDCSKIRYDVMMG-UAGQMJEPSA-N 1 0 278.440 2.779 50 0 CFAARO COc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nn1C ZINC000426445661 383400132 /nfs/dbraw/zinc/40/01/32/383400132.db2.gz RNYPOSALLFKHPB-LBPRGKRZSA-N 1 0 286.379 2.648 50 0 CFAARO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(Cc1ccc(Cl)s1)C2 ZINC000426490692 383402968 /nfs/dbraw/zinc/40/29/68/383402968.db2.gz XEZBGJUBTPSFEM-GDGBQDQQSA-N 1 0 256.802 2.571 50 0 CFAARO OCCn1ccc([C@@H]2CCC[N@H+](CC3=CCCCC3)C2)n1 ZINC000426530553 383404139 /nfs/dbraw/zinc/40/41/39/383404139.db2.gz SYGFTLLKQLPSFZ-MRXNPFEDSA-N 1 0 289.423 2.555 50 0 CFAARO Cc1ccnc(C[C@H](C)[N@H+](C)CCn2cc(Cl)cn2)c1 ZINC000252479793 383410775 /nfs/dbraw/zinc/41/07/75/383410775.db2.gz BMWCLUNWLFOARS-ZDUSSCGKSA-N 1 0 292.814 2.803 50 0 CFAARO Cc1ccnc(C[C@@H](C)[N@H+](C)CCn2cc(Cl)cn2)c1 ZINC000252479792 383410880 /nfs/dbraw/zinc/41/08/80/383410880.db2.gz BMWCLUNWLFOARS-CYBMUJFWSA-N 1 0 292.814 2.803 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(Cl)c[nH]1 ZINC000249684613 383355986 /nfs/dbraw/zinc/35/59/86/383355986.db2.gz 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/nfs/dbraw/zinc/41/69/98/383416998.db2.gz DGDNJHLXHJNCQS-OALUTQOASA-N 1 0 297.398 2.825 50 0 CFAARO COC(=O)[C@@H]1CC[N@H+](C[C@H](c2ccccc2)C(C)C)C1 ZINC000252537377 383417932 /nfs/dbraw/zinc/41/79/32/383417932.db2.gz KZZJTMLMGYGYIT-CVEARBPZSA-N 1 0 275.392 2.921 50 0 CFAARO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1cccc2ccccc21 ZINC000261600930 383526344 /nfs/dbraw/zinc/52/63/44/383526344.db2.gz YTZORNHTBCBOFY-MRXNPFEDSA-N 1 0 284.403 2.872 50 0 CFAARO COc1ccc(Cl)c(CN2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000262080022 383603663 /nfs/dbraw/zinc/60/36/63/383603663.db2.gz DWNVAXBSOPDZRY-QWRGUYRKSA-N 1 0 268.788 2.518 50 0 CFAARO C[N@H+]([C@H](CC(N)=O)c1ccccc1)[C@H]1C=CCCC1 ZINC000280246321 384942257 /nfs/dbraw/zinc/94/22/57/384942257.db2.gz BFOLBTPTFZXOJN-LSDHHAIUSA-N 1 0 258.365 2.644 50 0 CFAARO c1ccc(N2CC[C@H](Nc3nc4ccccc4[nH]3)C2)nc1 ZINC000270562994 385147003 /nfs/dbraw/zinc/14/70/03/385147003.db2.gz KGMJTUYAKWUMRU-LBPRGKRZSA-N 1 0 279.347 2.649 50 0 CFAARO CCC[C@@]1(CO)CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000288876253 197184085 /nfs/dbraw/zinc/18/40/85/197184085.db2.gz QTROMKYGUCVWLZ-QGZVFWFLSA-N 1 0 293.407 2.559 50 0 CFAARO Cc1ncn(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1C ZINC000284166098 385543673 /nfs/dbraw/zinc/54/36/73/385543673.db2.gz QLMUVUDXBYDORH-SFHVURJKSA-N 1 0 299.418 2.791 50 0 CFAARO O=C1CC[C@H]([NH2+]Cc2ccc3occc3c2)C2(CCC2)N1 ZINC000286133472 385563394 /nfs/dbraw/zinc/56/33/94/385563394.db2.gz VGESGNJOIWXRJD-HNNXBMFYSA-N 1 0 284.359 2.724 50 0 CFAARO O=c1ccn(Nc2[nH+]cc(C(F)(F)F)cc2Cl)cc1 ZINC000001400468 285223121 /nfs/dbraw/zinc/22/31/21/285223121.db2.gz APLHZDGXKMMOFD-UHFFFAOYSA-N 1 0 289.644 2.791 50 0 CFAARO O[C@@H](c1ccccc1)C1(C[NH2+]Cc2ccccn2)CC1 ZINC000095434260 285309058 /nfs/dbraw/zinc/30/90/58/285309058.db2.gz MAUBHBHOFLCZAZ-INIZCTEOSA-N 1 0 268.360 2.685 50 0 CFAARO COc1ccc(C)cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000005578454 260018766 /nfs/dbraw/zinc/01/87/66/260018766.db2.gz BHYTZCHEZMHXBM-UHFFFAOYSA-N 1 0 291.395 2.611 50 0 CFAARO COC[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000096424235 256759200 /nfs/dbraw/zinc/75/92/00/256759200.db2.gz RNJRTBKRMXFGQN-INIZCTEOSA-N 1 0 277.408 2.986 50 0 CFAARO Clc1ccc(-c2nn3ccnc4[nH][nH+]cc2c43)cc1 ZINC000263615657 256804843 /nfs/dbraw/zinc/80/48/43/256804843.db2.gz DNIVNOVUPGIFCP-UHFFFAOYSA-N 1 0 269.695 2.926 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCc1ccc(Cl)s1 ZINC000237387885 256851818 /nfs/dbraw/zinc/85/18/18/256851818.db2.gz MGSJXSODLXIENC-NXEZZACHSA-N 1 0 286.828 2.672 50 0 CFAARO CC(C)(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236629170 256852900 /nfs/dbraw/zinc/85/29/00/256852900.db2.gz YLHNJBOWPHNYOF-XQQFMLRXSA-N 1 0 252.402 2.541 50 0 CFAARO Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccncc2)cc1F ZINC000095988563 256882554 /nfs/dbraw/zinc/88/25/54/256882554.db2.gz CQYONVVBGGXDLY-HOTGVXAUSA-N 1 0 290.313 2.980 50 0 CFAARO c1cc(-c2nc3c([nH]2)C[NH2+]CC3)ccc1OCC1CC1 ZINC000095373032 184956798 /nfs/dbraw/zinc/95/67/98/184956798.db2.gz UWBQHXVTQSOGDH-UHFFFAOYSA-N 1 0 269.348 2.511 50 0 CFAARO C[C@@H](Nc1cc[nH+]c2ccccc12)C(=O)NC(C)(C)C ZINC000095396948 184965688 /nfs/dbraw/zinc/96/56/88/184965688.db2.gz OAMWOZANULTBEA-LLVKDONJSA-N 1 0 271.364 2.950 50 0 CFAARO COc1ncc(Cl)c(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000095418324 184974457 /nfs/dbraw/zinc/97/44/57/184974457.db2.gz FTEFAPKFWPCGPL-FGWVZKOKSA-N 1 0 296.802 2.566 50 0 CFAARO COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000095419759 184975829 /nfs/dbraw/zinc/97/58/29/184975829.db2.gz KGRNMMCLMKNCSO-STQMWFEESA-N 1 0 292.423 2.692 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCCC[C@@H]1O)CCC2 ZINC000095422382 184976791 /nfs/dbraw/zinc/97/67/91/184976791.db2.gz AOHLEATVMUNFOS-LOWVWBTDSA-N 1 0 280.437 2.976 50 0 CFAARO Cc1cc(C)n2c(C[NH2+]CCNc3ccccc3)cnc2n1 ZINC000095430377 184982029 /nfs/dbraw/zinc/98/20/29/184982029.db2.gz JFDNADDFOPVOAR-UHFFFAOYSA-N 1 0 295.390 2.548 50 0 CFAARO C/C(=C\C(=O)N1CCCC[C@@H]1C[NH3+])c1cccc(F)c1 ZINC000269161687 533394970 /nfs/dbraw/zinc/39/49/70/533394970.db2.gz BQVZIGXVPWVFPR-SAAWKEMMSA-N 1 0 276.355 2.569 50 0 CFAARO COC(=O)[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000096489893 533433763 /nfs/dbraw/zinc/43/37/63/533433763.db2.gz WERDRQVZDPJYNB-INIZCTEOSA-N 1 0 296.370 2.744 50 0 CFAARO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cccc(CO)c1 ZINC000096493943 533457875 /nfs/dbraw/zinc/45/78/75/533457875.db2.gz GCJSNZKQMKVESO-GFCCVEGCSA-N 1 0 285.343 2.758 50 0 CFAARO C[C@@H](NC(=O)C1([NH3+])CC1)c1cccc(Cl)c1Cl ZINC000237489105 131036726 /nfs/dbraw/zinc/03/67/26/131036726.db2.gz MQCROKHAPZKYGI-SSDOTTSWSA-N 1 0 273.163 2.662 50 0 CFAARO O=C(NCCc1cccc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000237890739 131062976 /nfs/dbraw/zinc/06/29/76/131062976.db2.gz VTXNNOSVBUKARN-QGZVFWFLSA-N 1 0 282.387 2.641 50 0 CFAARO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(Oc2ccccc2)o1 ZINC000262545073 131232111 /nfs/dbraw/zinc/23/21/11/131232111.db2.gz ZYJYOYVMAFNDIW-GFCCVEGCSA-N 1 0 286.331 2.554 50 0 CFAARO Cc1ccc(CCC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000269257329 132144256 /nfs/dbraw/zinc/14/42/56/132144256.db2.gz IDDCXNKSVXITBB-WBVHZDCISA-N 1 0 288.435 2.822 50 0 CFAARO COc1c(Br)cc(C[NH3+])cc1Br ZINC000002524614 393453676 /nfs/dbraw/zinc/45/36/76/393453676.db2.gz KAAXCRLJZYGCHR-UHFFFAOYSA-N 1 0 294.974 2.679 50 0 CFAARO C[C@@H]1C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)C)CC(C)(C)C1 ZINC000005093550 393461043 /nfs/dbraw/zinc/46/10/43/393461043.db2.gz SYMRXAKJCMBHJY-MGPQQGTHSA-N 1 0 271.445 2.967 50 0 CFAARO Cc1cccc(NC2=NC3(CCCCC3)NC(=[NH2+])N2)c1C ZINC000006549719 393464079 /nfs/dbraw/zinc/46/40/79/393464079.db2.gz XFMAXWPDQDAEIZ-UHFFFAOYSA-N 1 0 285.395 2.650 50 0 CFAARO [NH3+]CCNC[C@@H]1COC2(CCCCCCCCCCC2)O1 ZINC000019287643 393483953 /nfs/dbraw/zinc/48/39/53/393483953.db2.gz LYESBOJVXBJVBZ-MRXNPFEDSA-N 1 0 298.471 2.951 50 0 CFAARO O[C@H](C[NH2+]Cc1ccccc1)COc1ccccc1Cl ZINC000032151743 393511590 /nfs/dbraw/zinc/51/15/90/393511590.db2.gz UNZUVLQKBIFXJL-CQSZACIVSA-N 1 0 291.778 2.870 50 0 CFAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@H]1CCCc3ccccc31)CN2 ZINC000065625482 393632721 /nfs/dbraw/zinc/63/27/21/393632721.db2.gz ACWZHVJHFOWKIF-PBHICJAKSA-N 1 0 296.418 2.900 50 0 CFAARO CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218954542 393759328 /nfs/dbraw/zinc/75/93/28/393759328.db2.gz OTLSLQGKRZCMHJ-IJLUTSLNSA-N 1 0 264.335 2.791 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])sc1C ZINC000087568440 393759716 /nfs/dbraw/zinc/75/97/16/393759716.db2.gz UHVFFWLXAIEMJF-BXKDBHETSA-N 1 0 266.410 2.564 50 0 CFAARO CCC[NH+](CCC)CCN1CCCC[C@@H]1C(=O)OCC ZINC000096012920 393814417 /nfs/dbraw/zinc/81/44/17/393814417.db2.gz CGCWAZQJGNQQNU-OAHLLOKOSA-N 1 0 284.444 2.526 50 0 CFAARO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCCCO2)C1 ZINC000248089408 393904872 /nfs/dbraw/zinc/90/48/72/393904872.db2.gz LFJKGOXLRFGBGR-BZUAXINKSA-N 1 0 296.455 2.572 50 0 CFAARO Cc1ccc(-c2nc3c([nH]2)C[NH2+]CC3)c2cccnc12 ZINC000097776249 393842340 /nfs/dbraw/zinc/84/23/40/393842340.db2.gz IHMMFTSVYZWWTG-UHFFFAOYSA-N 1 0 264.332 2.579 50 0 CFAARO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ncc[nH]1 ZINC000246047039 393844662 /nfs/dbraw/zinc/84/46/62/393844662.db2.gz SXFNDTUCIGICGY-HWWDLCQESA-N 1 0 298.434 2.656 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]CCn2ccnc2)c(C)c1OC ZINC000285505108 394144064 /nfs/dbraw/zinc/14/40/64/394144064.db2.gz CWGVSYQKLXROQL-CYBMUJFWSA-N 1 0 289.379 2.560 50 0 CFAARO Cc1ccccc1[C@H](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153411659 394283329 /nfs/dbraw/zinc/28/33/29/394283329.db2.gz COIKARZCTHFCFS-KFWWJZLASA-N 1 0 274.408 2.697 50 0 CFAARO c1ccc(CCC[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000069875079 134944453 /nfs/dbraw/zinc/94/44/53/134944453.db2.gz AZKVVARENFDHEP-QGZVFWFLSA-N 1 0 296.418 2.668 50 0 CFAARO C[NH+](C)C1CCN(c2cccnc2C(F)(F)F)CC1 ZINC000169725741 394370477 /nfs/dbraw/zinc/37/04/77/394370477.db2.gz BAYPCNHQVSBPSO-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO CCC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)C1CCCC1 ZINC000453429226 394402821 /nfs/dbraw/zinc/40/28/21/394402821.db2.gz QFKHRHLYBKCVEJ-UKRRQHHQSA-N 1 0 252.402 2.604 50 0 CFAARO O=C(CC1CCCC1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915935 543032296 /nfs/dbraw/zinc/03/22/96/543032296.db2.gz OBLAGZFHYOSJSH-HNNXBMFYSA-N 1 0 264.413 2.557 50 0 CFAARO CSCC[C@H]([NH3+])c1ncnn1Cc1ccc(Cl)cc1 ZINC000824912929 781999446 /nfs/dbraw/zinc/99/94/46/781999446.db2.gz SUSJFIXBCCGQLW-LBPRGKRZSA-N 1 0 296.827 2.733 50 0 CFAARO Cc1cccc(NC(=O)c2ccccc2OCC[NH+](C)C)n1 ZINC000047296968 397584788 /nfs/dbraw/zinc/58/47/88/397584788.db2.gz OASOWMOFZDXQOZ-UHFFFAOYSA-N 1 0 299.374 2.583 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(OC)OC ZINC000408514284 397564972 /nfs/dbraw/zinc/56/49/72/397564972.db2.gz NGYFKQPGERPGNO-HNNXBMFYSA-N 1 0 279.380 2.623 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000007811391 397537296 /nfs/dbraw/zinc/53/72/96/397537296.db2.gz SNKAHQFFCQFZRX-CHWSQXEVSA-N 1 0 294.826 2.934 50 0 CFAARO c1nc2ccccn2c1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000105444486 397596477 /nfs/dbraw/zinc/59/64/77/397596477.db2.gz NCCBWAOJMVKRHZ-AWEZNQCLSA-N 1 0 263.344 2.764 50 0 CFAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CCc1ccccn1 ZINC000107584910 397597508 /nfs/dbraw/zinc/59/75/08/397597508.db2.gz AVULZBVBSGDUSY-ZIAGYGMSSA-N 1 0 250.411 2.840 50 0 CFAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000107584906 397597545 /nfs/dbraw/zinc/59/75/45/397597545.db2.gz AVULZBVBSGDUSY-UONOGXRCSA-N 1 0 250.411 2.840 50 0 CFAARO Fc1ccc(-c2ccnc(C3CC[NH2+]CC3)n2)cc1 ZINC000205911020 397616669 /nfs/dbraw/zinc/61/66/69/397616669.db2.gz KDDZFNJRBUPOQZ-UHFFFAOYSA-N 1 0 257.312 2.750 50 0 CFAARO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCSC(C)(C)C)C1 ZINC000252486024 397628397 /nfs/dbraw/zinc/62/83/97/397628397.db2.gz HHFINGSCEZKMTE-CYBMUJFWSA-N 1 0 286.485 2.755 50 0 CFAARO Cc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000183573575 292337960 /nfs/dbraw/zinc/33/79/60/292337960.db2.gz KMZGESDMHJKROG-SQWLQELKSA-N 1 0 273.376 2.735 50 0 CFAARO Cn1cc(CC[N@@H+]2Cc3ccccc3C3(CCC3)C2)cn1 ZINC000375690947 157271427 /nfs/dbraw/zinc/27/14/27/157271427.db2.gz ROMFYKWJZRVHEY-UHFFFAOYSA-N 1 0 281.403 2.900 50 0 CFAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1O ZINC000001843588 169759392 /nfs/dbraw/zinc/75/93/92/169759392.db2.gz MTAGFKXNJKRAKR-UHFFFAOYSA-N 1 0 257.333 2.733 50 0 CFAARO CCCCC[n+]1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000003203295 169868033 /nfs/dbraw/zinc/86/80/33/169868033.db2.gz RFYPROOMFUCNMO-UHFFFAOYSA-N 1 0 295.362 2.965 50 0 CFAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000003328276 169879615 /nfs/dbraw/zinc/87/96/15/169879615.db2.gz WGHMQHVICUMPQB-JTQLQIEISA-N 1 0 252.745 2.763 50 0 CFAARO COCCC[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000003460947 169889853 /nfs/dbraw/zinc/88/98/53/169889853.db2.gz ZYWZVKZQGSMARN-UHFFFAOYSA-N 1 0 278.179 2.998 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000003683901 169907779 /nfs/dbraw/zinc/90/77/79/169907779.db2.gz JSASUZMVCVIJBP-CQSZACIVSA-N 1 0 251.370 2.548 50 0 CFAARO C[C@@H]1Cc2ccccc2N1C(=O)CC[NH+]1CCCCC1 ZINC000004594303 169988332 /nfs/dbraw/zinc/98/83/32/169988332.db2.gz MIQQBJMPCTZQIT-CQSZACIVSA-N 1 0 272.392 2.840 50 0 CFAARO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCCC1 ZINC000004745020 170010689 /nfs/dbraw/zinc/01/06/89/170010689.db2.gz DYBZXWAOEUFSKX-OAHLLOKOSA-N 1 0 290.382 2.660 50 0 CFAARO CC(C)Oc1ccc(/C=C2\[C@H](O)C3CC[NH+]2CC3)cc1 ZINC000004842355 170028411 /nfs/dbraw/zinc/02/84/11/170028411.db2.gz LDEBHZYOXTUQCH-ABPVARSCSA-N 1 0 273.376 2.901 50 0 CFAARO CC1(C)CC(NC(=O)Cc2cccs2)CC(C)(C)[NH2+]1 ZINC000004845563 170029472 /nfs/dbraw/zinc/02/94/72/170029472.db2.gz CWSQASOOOSYYAI-UHFFFAOYSA-N 1 0 280.437 2.716 50 0 CFAARO C[N@@H+]1CCC[C@@H](OC(=O)c2cccc(Cl)c2)C1 ZINC000004898485 170037797 /nfs/dbraw/zinc/03/77/97/170037797.db2.gz GOFCGLXPPQNPNI-GFCCVEGCSA-N 1 0 253.729 2.591 50 0 CFAARO C[N@@H+]1CCC[C@H](OC(=O)c2ccc(Br)cc2)C1 ZINC000004898900 170037924 /nfs/dbraw/zinc/03/79/24/170037924.db2.gz FPMRLLRMQAZJHO-LBPRGKRZSA-N 1 0 298.180 2.700 50 0 CFAARO COc1ccc(CC[N@H+](C)Cc2ccccn2)cc1OC ZINC000004981113 170048518 /nfs/dbraw/zinc/04/85/18/170048518.db2.gz XWIQNMXEQRAHJY-UHFFFAOYSA-N 1 0 286.375 2.773 50 0 CFAARO COc1ccc2ccccc2c1C[NH+]1CCC(O)CC1 ZINC000004988811 170049412 /nfs/dbraw/zinc/04/94/12/170049412.db2.gz OFJZFXNGLMNVIA-UHFFFAOYSA-N 1 0 271.360 2.805 50 0 CFAARO COc1cc(OC)c(OC)cc1C[NH2+]C1CCCC1 ZINC000005004991 170053791 /nfs/dbraw/zinc/05/37/91/170053791.db2.gz LYPZELGBTGNVDO-UHFFFAOYSA-N 1 0 265.353 2.745 50 0 CFAARO C[NH2+]CCOc1ccc(OCc2ccccc2)cc1 ZINC000005013517 170055172 /nfs/dbraw/zinc/05/51/72/170055172.db2.gz NTSIFAPFMHLCRP-UHFFFAOYSA-N 1 0 257.333 2.864 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000005023120 170057354 /nfs/dbraw/zinc/05/73/54/170057354.db2.gz CFMUYKXNSHGRPL-ZIAGYGMSSA-N 1 0 260.381 2.993 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+]C2CCCC2)cc1C ZINC000005050828 170061392 /nfs/dbraw/zinc/06/13/92/170061392.db2.gz IOPMSOCYEHUKKP-OAHLLOKOSA-N 1 0 263.381 2.575 50 0 CFAARO COc1ccc([C@H]([NH3+])Cc2ccccc2)cc1OC ZINC000005351502 170088693 /nfs/dbraw/zinc/08/86/93/170088693.db2.gz WAKRXOCPJKLWAS-CQSZACIVSA-N 1 0 257.333 2.946 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)c(OC)c1 ZINC000005513306 170106489 /nfs/dbraw/zinc/10/64/89/170106489.db2.gz VGVVCKXPXVZCQP-HUUCEWRRSA-N 1 0 279.380 2.751 50 0 CFAARO C[NH+](C)CCOC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000005554139 170112920 /nfs/dbraw/zinc/11/29/20/170112920.db2.gz WFYVZBALZLPYLG-UHFFFAOYSA-N 1 0 295.338 2.616 50 0 CFAARO COc1cccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000005573785 170115184 /nfs/dbraw/zinc/11/51/84/170115184.db2.gz UGOAGCAVPCSLHF-SOUVJXGZSA-N 1 0 293.407 2.698 50 0 CFAARO COc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000005674906 170126880 /nfs/dbraw/zinc/12/68/80/170126880.db2.gz PSKNANIPKWZEDL-HNNXBMFYSA-N 1 0 293.407 2.699 50 0 CFAARO [NH3+][C@H](Cc1ccccc1)C(=O)Sc1ccccc1 ZINC000005683442 170128276 /nfs/dbraw/zinc/12/82/76/170128276.db2.gz ISNZQDRWGVKGKX-CQSZACIVSA-N 1 0 257.358 2.875 50 0 CFAARO CC[NH+](CC)CCNc1nc2cc(Cl)ccc2[nH]1 ZINC000005686321 170129027 /nfs/dbraw/zinc/12/90/27/170129027.db2.gz UQTXYSJOFDTZTQ-UHFFFAOYSA-N 1 0 266.776 2.970 50 0 CFAARO COc1cc(NC(=O)C[NH+]2CCCCCC2)cc(OC)c1 ZINC000005938826 170159215 /nfs/dbraw/zinc/15/92/15/170159215.db2.gz ZXLOXYDCUJWYAK-UHFFFAOYSA-N 1 0 292.379 2.518 50 0 CFAARO CN(C)[C@@H](CNC1=[NH+]CCCCC1)c1ccccc1 ZINC000006007386 170167606 /nfs/dbraw/zinc/16/76/06/170167606.db2.gz FLUIRLDNBZKMGV-HNNXBMFYSA-N 1 0 259.397 2.851 50 0 CFAARO C[C@@H](O)c1cccc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc21 ZINC000006037144 170170399 /nfs/dbraw/zinc/17/03/99/170170399.db2.gz GTYMTYBCXVOBBB-MFKMUULPSA-N 1 0 277.364 2.908 50 0 in-vitro CFAARO CC(C)(C)OC[C@@H](O)C[NH2+]C1CCCCCCC1 ZINC000006186824 170181636 /nfs/dbraw/zinc/18/16/36/170181636.db2.gz UUCBCPFJHNHOIM-AWEZNQCLSA-N 1 0 257.418 2.865 50 0 CFAARO CC(C)[NH+]1CCC(NC(=S)NCc2ccccc2)CC1 ZINC000006549401 170212055 /nfs/dbraw/zinc/21/20/55/170212055.db2.gz HUPCJWJSTSFCBZ-UHFFFAOYSA-N 1 0 291.464 2.524 50 0 CFAARO CCOC(=O)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000006702986 170230332 /nfs/dbraw/zinc/23/03/32/170230332.db2.gz VUILWWLHMVLGCX-UHFFFAOYSA-N 1 0 291.391 2.731 50 0 CFAARO C[N@@H+]1CCCN(C(=O)c2csc3ccccc23)CC1 ZINC000006742172 170238104 /nfs/dbraw/zinc/23/81/04/170238104.db2.gz LEQPAVYKNWVNTM-UHFFFAOYSA-N 1 0 274.389 2.679 50 0 CFAARO NC(=O)COc1ccc(Cl)cc1C[NH2+]C1CCCCC1 ZINC000006743605 170238432 /nfs/dbraw/zinc/23/84/32/170238432.db2.gz NNRFOJDUMIYSAL-UHFFFAOYSA-N 1 0 296.798 2.626 50 0 CFAARO Cc1c(C)n(C)c2ccc(C(=O)NCC[NH+]3CCCC3)cc12 ZINC000006911049 170254288 /nfs/dbraw/zinc/25/42/88/170254288.db2.gz HPEDKJRZGPYAKJ-UHFFFAOYSA-N 1 0 299.418 2.621 50 0 CFAARO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccs1 ZINC000007459695 170286272 /nfs/dbraw/zinc/28/62/72/170286272.db2.gz NIXNRRFECSBQGS-LBPRGKRZSA-N 1 0 266.410 2.657 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)Cc2ccccc2C)cc1 ZINC000007996071 170312920 /nfs/dbraw/zinc/31/29/20/170312920.db2.gz XZBUJYSJBOIKBJ-UHFFFAOYSA-N 1 0 282.387 2.987 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)CO ZINC000008324479 170331110 /nfs/dbraw/zinc/33/11/10/170331110.db2.gz DDQSOEGJJZHPBF-UHFFFAOYSA-N 1 0 257.761 2.599 50 0 CFAARO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000008745229 170354021 /nfs/dbraw/zinc/35/40/21/170354021.db2.gz VUFDWMHLJOXADP-GOEBONIOSA-N 1 0 272.392 2.798 50 0 CFAARO Cn1c2ccccc2nc1C[C@@H]([NH3+])c1ccccc1 ZINC000009115521 170363885 /nfs/dbraw/zinc/36/38/85/170363885.db2.gz NTGWKDIUBUPPQE-CYBMUJFWSA-N 1 0 251.333 2.816 50 0 CFAARO Cc1ccccc1C[N@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000009316674 170371650 /nfs/dbraw/zinc/37/16/50/170371650.db2.gz PEOCDHVWXGCJBP-UHFFFAOYSA-N 1 0 293.370 2.635 50 0 CFAARO C[N@@H+](Cc1ccco1)C[C@@H](O)c1ccc2cc[nH]c2c1 ZINC000013366773 170547089 /nfs/dbraw/zinc/54/70/89/170547089.db2.gz QGAKFFDQLLINBD-MRXNPFEDSA-N 1 0 270.332 2.926 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(F)cc2)C1 ZINC000013646383 170572929 /nfs/dbraw/zinc/57/29/29/170572929.db2.gz SYZIZDJYIQBFPP-OKILXGFUSA-N 1 0 292.398 2.924 50 0 CFAARO Cc1ccc(C)c(NC(=O)CC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019888928 170909933 /nfs/dbraw/zinc/90/99/33/170909933.db2.gz YBAXGSAADMRPKZ-GJZGRUSLSA-N 1 0 290.407 2.741 50 0 CFAARO c1coc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000020294354 171134001 /nfs/dbraw/zinc/13/40/01/171134001.db2.gz WCMGYVUMSAZKQX-LBPRGKRZSA-N 1 0 273.336 2.920 50 0 CFAARO C1=C[C@H]2C[C@@H]1C[C@H]2CC[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000020389410 171178098 /nfs/dbraw/zinc/17/80/98/171178098.db2.gz OCAXAHHKXOHOPQ-IXDOHACOSA-N 1 0 298.434 2.591 50 0 CFAARO C[C@@H](c1ccc(-c2nc3c[nH]n(C)c-3n2)cc1)[NH+](C)C ZINC000020857420 171276249 /nfs/dbraw/zinc/27/62/49/171276249.db2.gz VXVDMUUCRQSZME-JTQLQIEISA-N 1 0 269.352 2.586 50 0 CFAARO CCCOc1c(Cl)cc(C[NH2+]CCO)cc1Cl ZINC000020926251 171280244 /nfs/dbraw/zinc/28/02/44/171280244.db2.gz JXHPMSPWCUNMQY-UHFFFAOYSA-N 1 0 278.179 2.864 50 0 CFAARO CCCOc1ccc(C[NH2+][C@H](CC)CO)cc1Cl ZINC000020925477 171280335 /nfs/dbraw/zinc/28/03/35/171280335.db2.gz GCRVOHKWFGZXCE-GFCCVEGCSA-N 1 0 271.788 2.989 50 0 CFAARO CCOCCC[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020927934 171280564 /nfs/dbraw/zinc/28/05/64/171280564.db2.gz GWLZKXJRKHJCAT-UHFFFAOYSA-N 1 0 257.761 2.865 50 0 CFAARO CCCOc1ccc(C[NH2+]C(C)(C)CO)cc1OCC ZINC000020933189 171280807 /nfs/dbraw/zinc/28/08/07/171280807.db2.gz SWVPHMANUKFWJD-UHFFFAOYSA-N 1 0 281.396 2.735 50 0 CFAARO Cc1cccnc1-c1noc([C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000020994540 171283580 /nfs/dbraw/zinc/28/35/80/171283580.db2.gz HSYPJDHYGYTMRJ-GFCCVEGCSA-N 1 0 272.352 2.638 50 0 CFAARO C[C@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021961658 171342550 /nfs/dbraw/zinc/34/25/50/171342550.db2.gz YLAUNYJPFWJQNB-YOEHRIQHSA-N 1 0 286.419 2.945 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)c(OC)c1 ZINC000022076146 171352111 /nfs/dbraw/zinc/35/21/11/171352111.db2.gz DBQDYBNGDKGIIW-MRXNPFEDSA-N 1 0 287.359 2.527 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000022113860 171352844 /nfs/dbraw/zinc/35/28/44/171352844.db2.gz ZOUFAXNJXMEHBE-UHFFFAOYSA-N 1 0 268.401 2.872 50 0 CFAARO Cc1ccsc1C[NH2+][C@H](C)[C@@H](O)c1ccc(O)cc1 ZINC000022356606 171385328 /nfs/dbraw/zinc/38/53/28/171385328.db2.gz SPTINGYTVHDLDY-IAQYHMDHSA-N 1 0 277.389 2.974 50 0 CFAARO [NH3+][C@H](Cn1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000022565260 171391762 /nfs/dbraw/zinc/39/17/62/171391762.db2.gz RWIKDCPUOUODDK-LLVKDONJSA-N 1 0 255.243 2.602 50 0 CFAARO Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)o1 ZINC000023157084 171415190 /nfs/dbraw/zinc/41/51/90/171415190.db2.gz MZPYWFKJRITLOE-UHFFFAOYSA-N 1 0 290.407 2.813 50 0 CFAARO COc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000035287325 172105099 /nfs/dbraw/zinc/10/50/99/172105099.db2.gz RVXZQGDVDNCHLI-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO C[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000035602979 172292048 /nfs/dbraw/zinc/29/20/48/172292048.db2.gz FFORVYYRQNVMFQ-QWRGUYRKSA-N 1 0 273.323 2.580 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]CCc2nc(C)c(C)s2)no1 ZINC000285300437 196244149 /nfs/dbraw/zinc/24/41/49/196244149.db2.gz RZPUTUIAWYMYOT-SNVBAGLBSA-N 1 0 265.382 2.950 50 0 CFAARO CC1(C)[C@H]([NH2+]CCc2cccc(C(N)=O)c2)[C@@H]2CCC[C@@H]21 ZINC000657913711 414051200 /nfs/dbraw/zinc/05/12/00/414051200.db2.gz LZIITLWSQAFIHA-OWCLPIDISA-N 1 0 286.419 2.742 50 0 CFAARO [NH3+]Cc1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000037222910 173043198 /nfs/dbraw/zinc/04/31/98/173043198.db2.gz UALUWRGVSASGFQ-UHFFFAOYSA-N 1 0 256.305 2.894 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000655857300 414484302 /nfs/dbraw/zinc/48/43/02/414484302.db2.gz RZHOLEWXNPIDNH-QWHCGFSZSA-N 1 0 265.426 2.558 50 0 CFAARO Brc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040574 174040844 /nfs/dbraw/zinc/04/08/44/174040844.db2.gz BQRJDKYBLYPKSY-UHFFFAOYSA-N 1 0 255.159 2.613 50 0 CFAARO CCCCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038049211 174059802 /nfs/dbraw/zinc/05/98/02/174059802.db2.gz ABANJWRFADNKTM-CVEARBPZSA-N 1 0 290.407 2.865 50 0 CFAARO CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000040120319 174192942 /nfs/dbraw/zinc/19/29/42/174192942.db2.gz DJQHEPRIZRJBTA-QGZVFWFLSA-N 1 0 286.419 2.836 50 0 CFAARO CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000040119891 174193008 /nfs/dbraw/zinc/19/30/08/174193008.db2.gz FUEOIXUMSLFEPB-UHFFFAOYSA-N 1 0 280.799 2.898 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)NCCCc1ccccc1 ZINC000040161501 174196298 /nfs/dbraw/zinc/19/62/98/174196298.db2.gz LXRDEKQXTFCQEO-HNNXBMFYSA-N 1 0 274.408 2.610 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1cccc(F)c1 ZINC000040266214 174217859 /nfs/dbraw/zinc/21/78/59/174217859.db2.gz NBKCFZMTICAELA-DOTOQJQBSA-N 1 0 282.318 2.750 50 0 CFAARO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)NC1CCCC1 ZINC000040479614 174283847 /nfs/dbraw/zinc/28/38/47/174283847.db2.gz WWWJRBJZJKTNFF-KRWDZBQOSA-N 1 0 272.392 2.786 50 0 CFAARO CC[C@H](CNC(=O)c1ccc(F)cc1F)[NH+]1CCCC1 ZINC000040522437 174311072 /nfs/dbraw/zinc/31/10/72/174311072.db2.gz WUOZMNPMJWPKIG-GFCCVEGCSA-N 1 0 282.334 2.569 50 0 CFAARO C[C@H]1CCC[C@@](CNCc2ccncc2)([NH+](C)C)C1 ZINC000040668179 174367598 /nfs/dbraw/zinc/36/75/98/174367598.db2.gz RZICBPDAFBPELA-GOEBONIOSA-N 1 0 261.413 2.682 50 0 CFAARO CCCOc1ccc(C[NH2+]C[C@H](C)O)cc1Cl ZINC000040743850 174391055 /nfs/dbraw/zinc/39/10/55/174391055.db2.gz SINPLCNEWIAQKC-JTQLQIEISA-N 1 0 257.761 2.599 50 0 CFAARO Cc1cc(OC[C@H]2CC[NH2+]C2)ccc1Br ZINC000042770621 174871119 /nfs/dbraw/zinc/87/11/19/174871119.db2.gz ZVXOIEGQRMYLRN-JTQLQIEISA-N 1 0 270.170 2.746 50 0 CFAARO Brc1cccc(CO[C@H]2CCC[NH2+]C2)c1 ZINC000042782959 174878976 /nfs/dbraw/zinc/87/89/76/174878976.db2.gz YAAPIEFXFHVHJX-LBPRGKRZSA-N 1 0 270.170 2.718 50 0 CFAARO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000043214570 174985010 /nfs/dbraw/zinc/98/50/10/174985010.db2.gz HTSCGVPJZSCYDO-KBPBESRZSA-N 1 0 276.380 2.514 50 0 CFAARO CCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000044292017 175160471 /nfs/dbraw/zinc/16/04/71/175160471.db2.gz WNLGCNGDLBEHNM-LBPRGKRZSA-N 1 0 256.349 2.627 50 0 CFAARO [NH3+]CC1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000044512647 175188286 /nfs/dbraw/zinc/18/82/86/175188286.db2.gz ANCQCKWLAZBROJ-UHFFFAOYSA-N 1 0 287.190 2.804 50 0 CFAARO FC(F)Oc1ccccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044684991 175230995 /nfs/dbraw/zinc/23/09/95/175230995.db2.gz BSOSWRDCWCHELF-GFCCVEGCSA-N 1 0 282.334 2.614 50 0 CFAARO CCOc1cc(C[N@H+](C)CCCO)ccc1OC(F)F ZINC000045944078 175387259 /nfs/dbraw/zinc/38/72/59/175387259.db2.gz JBVXGCMLSFZMPF-UHFFFAOYSA-N 1 0 289.322 2.501 50 0 CFAARO Brc1ccc(C[NH2+]CCc2c[nH]cn2)cc1 ZINC000045946205 175387972 /nfs/dbraw/zinc/38/79/72/175387972.db2.gz KSYCFJGJMBEEFE-UHFFFAOYSA-N 1 0 280.169 2.505 50 0 CFAARO Clc1cccc(C[NH2+]CCOc2ccccn2)c1 ZINC000045945473 175388155 /nfs/dbraw/zinc/38/81/55/175388155.db2.gz QRCOIZIIFHZEBI-UHFFFAOYSA-N 1 0 262.740 2.904 50 0 CFAARO OCC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000046091010 175392927 /nfs/dbraw/zinc/39/29/27/175392927.db2.gz CMUGLQKXJVBHDG-UHFFFAOYSA-N 1 0 272.348 2.546 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc(F)c1 ZINC000046858520 175399982 /nfs/dbraw/zinc/39/99/82/175399982.db2.gz GJVNXXFSNUQZHM-LLVKDONJSA-N 1 0 282.334 2.569 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1 ZINC000046995482 175402890 /nfs/dbraw/zinc/40/28/90/175402890.db2.gz ODFPTXGCNGHMSJ-UONOGXRCSA-N 1 0 278.783 2.697 50 0 CFAARO OC1CC[NH+](CCCCCn2cnc3ccccc32)CC1 ZINC000065577490 175751910 /nfs/dbraw/zinc/75/19/10/175751910.db2.gz PLIDOFYAGKJIAN-UHFFFAOYSA-N 1 0 287.407 2.663 50 0 CFAARO COc1ccc(CNC(=[NH2+])Nc2ccccc2)cc1F ZINC000069350440 175824131 /nfs/dbraw/zinc/82/41/31/175824131.db2.gz XGWLCUWTTPEYMJ-UHFFFAOYSA-N 1 0 273.311 2.971 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(Cl)o1)n1cccn1 ZINC000069368481 175825067 /nfs/dbraw/zinc/82/50/67/175825067.db2.gz ZPGCXGQWLOPAPB-VHSXEESVSA-N 1 0 253.733 2.869 50 0 CFAARO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C/c1nccs1 ZINC000069451763 175830293 /nfs/dbraw/zinc/83/02/93/175830293.db2.gz COKMXPIQPBTEPB-XEHSLEBBSA-N 1 0 295.452 2.783 50 0 CFAARO NC(=[NH2+])NCc1cccc(COC2CCCCC2)c1 ZINC000069736870 175849588 /nfs/dbraw/zinc/84/95/88/175849588.db2.gz IEHMVCOSQWQJGH-UHFFFAOYSA-N 1 0 261.369 2.519 50 0 CFAARO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)c(O)co2)cc1 ZINC000069743840 175851539 /nfs/dbraw/zinc/85/15/39/175851539.db2.gz NQUWVBSUMAVAHO-OAHLLOKOSA-N 1 0 285.343 2.991 50 0 CFAARO O=C(CCNc1cc[nH+]c2cc(F)ccc12)N1CCCC1 ZINC000069846221 175857640 /nfs/dbraw/zinc/85/76/40/175857640.db2.gz MFWKFYYKTHAGIH-UHFFFAOYSA-N 1 0 287.338 2.798 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070173114 175877954 /nfs/dbraw/zinc/87/79/54/175877954.db2.gz XLDDLBFCFXENOI-PWSUYJOCSA-N 1 0 266.410 2.510 50 0 CFAARO Cn1nc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)c2ccccc21 ZINC000071278871 176108202 /nfs/dbraw/zinc/10/82/02/176108202.db2.gz KPNCPUHUIIXEGC-LBPRGKRZSA-N 1 0 297.333 2.642 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCOc1ccc(Cl)cc1 ZINC000071819516 176270176 /nfs/dbraw/zinc/27/01/76/176270176.db2.gz STWBPAXRAMXICA-UHFFFAOYSA-N 1 0 279.771 2.849 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](C)COc1ccc(F)cc1F ZINC000071825370 176272143 /nfs/dbraw/zinc/27/21/43/176272143.db2.gz IOFYETUVQLQDHF-SECBINFHSA-N 1 0 281.306 2.553 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000071844493 176275325 /nfs/dbraw/zinc/27/53/25/176275325.db2.gz WJAVILKJCVJSKJ-OAHLLOKOSA-N 1 0 289.354 2.875 50 0 CFAARO Cc1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)s1 ZINC000071870422 176282819 /nfs/dbraw/zinc/28/28/19/176282819.db2.gz JLAMTFAVYZQOQM-CABCVRRESA-N 1 0 292.448 2.684 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000071880458 176287684 /nfs/dbraw/zinc/28/76/84/176287684.db2.gz MVOGMYJZMQVPMI-HOTGVXAUSA-N 1 0 292.448 2.766 50 0 CFAARO CCOCC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000071904350 176294982 /nfs/dbraw/zinc/29/49/82/176294982.db2.gz IYINBEKNABSQGN-UHFFFAOYSA-N 1 0 292.423 2.956 50 0 CFAARO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCCCO ZINC000071921064 176300230 /nfs/dbraw/zinc/30/02/30/176300230.db2.gz OERZQBYLBMNSHO-QGZVFWFLSA-N 1 0 290.451 2.745 50 0 CFAARO CC(C)Cn1cncc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072130976 176321568 /nfs/dbraw/zinc/32/15/68/176321568.db2.gz JOWDQQNRAHYWFP-GASCZTMLSA-N 1 0 259.397 2.937 50 0 CFAARO Cc1cc(CN2CC([N@H+]3CCCC[C@@H]3C)C2)oc1C ZINC000072139026 176322969 /nfs/dbraw/zinc/32/29/69/176322969.db2.gz CYSAJXJRDLCGFT-ZDUSSCGKSA-N 1 0 262.397 2.955 50 0 CFAARO Cc1ncsc1CN1CCCC[C@H]1CC[NH+](C)C ZINC000072153565 176328105 /nfs/dbraw/zinc/32/81/05/176328105.db2.gz AYIVOPFROLYKGN-ZDUSSCGKSA-N 1 0 267.442 2.758 50 0 CFAARO COc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072270615 176354700 /nfs/dbraw/zinc/35/47/00/176354700.db2.gz GEOABTIRDKJGJY-GFCCVEGCSA-N 1 0 289.354 2.937 50 0 CFAARO CC[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cc1)C(N)=O ZINC000072281399 176359118 /nfs/dbraw/zinc/35/91/18/176359118.db2.gz FKRBHNYZBUGZAH-KCJUWKMLSA-N 1 0 274.286 2.620 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H]1CCc1cc(Cl)ncn1 ZINC000072343866 176372051 /nfs/dbraw/zinc/37/20/51/176372051.db2.gz WJWYICPOXHNXFC-LBPRGKRZSA-N 1 0 253.777 2.935 50 0 CFAARO C[C@H](NC(=O)CCC[NH+]1CCCCC1)c1nccs1 ZINC000073451109 176472761 /nfs/dbraw/zinc/47/27/61/176472761.db2.gz PYWMFAGBWATDDT-LBPRGKRZSA-N 1 0 281.425 2.586 50 0 CFAARO Cc1nnc(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000076809467 177102046 /nfs/dbraw/zinc/10/20/46/177102046.db2.gz KRXPEHWZHYLIAU-GXFFZTMASA-N 1 0 275.327 2.895 50 0 CFAARO CCc1csc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000077300109 177250351 /nfs/dbraw/zinc/25/03/51/177250351.db2.gz SGBCBTPDNGZVAM-CYBMUJFWSA-N 1 0 296.436 2.523 50 0 CFAARO COc1ccccc1N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000077353759 177256461 /nfs/dbraw/zinc/25/64/61/177256461.db2.gz CNLLBCRPGKMKIH-AWEZNQCLSA-N 1 0 283.375 2.805 50 0 CFAARO OCC1([NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000191696750 227131037 /nfs/dbraw/zinc/13/10/37/227131037.db2.gz RYUFQSGPGIGLCV-UHFFFAOYSA-N 1 0 296.617 2.779 50 0 CFAARO FC1CC[NH+](Cc2cccc(Cn3cccn3)c2)CC1 ZINC000826537182 782024366 /nfs/dbraw/zinc/02/43/66/782024366.db2.gz QCYHUWKCLLHJSV-UHFFFAOYSA-N 1 0 273.355 2.865 50 0 CFAARO C[C@@H](O)c1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 ZINC000048159135 420503426 /nfs/dbraw/zinc/50/34/26/420503426.db2.gz MWICJWQJNUOKDF-CYBMUJFWSA-N 1 0 292.427 2.691 50 0 CFAARO Cc1oc(-c2ccc(NC(=O)c3ccoc3)cc2)nc1C[NH3+] ZINC000827469531 782036788 /nfs/dbraw/zinc/03/67/88/782036788.db2.gz XIQIBLGDKMZXDF-UHFFFAOYSA-N 1 0 297.314 2.954 50 0 CFAARO c1csc([C@@H]2CN(CCOc3ccccc3)CCO2)n1 ZINC000195521245 270254581 /nfs/dbraw/zinc/25/45/81/270254581.db2.gz WFALSLKNDYKXJO-AWEZNQCLSA-N 1 0 290.388 2.595 50 0 CFAARO CCc1ccc2c(C[N@H+](C)C(C)(C)CO)cc(=O)oc2c1 ZINC000408512947 261068385 /nfs/dbraw/zinc/06/83/85/261068385.db2.gz JAJNTPNKQCPIHQ-UHFFFAOYSA-N 1 0 289.375 2.558 50 0 CFAARO COc1ccccc1OCC[NH2+]Cc1ccccc1 ZINC000020275093 274162282 /nfs/dbraw/zinc/16/22/82/274162282.db2.gz SZDYRZVWNVIYGO-UHFFFAOYSA-N 1 0 257.333 2.864 50 0 in-vitro CFAARO C[C@@H]1CC[C@H]([NH2+]CC2(N(C)C)CCOCC2)C[C@@H]1C ZINC000097146603 287789241 /nfs/dbraw/zinc/78/92/41/287789241.db2.gz VPWWILHCIIOHIF-ILXRZTDVSA-N 1 0 268.445 2.512 50 0 CFAARO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3nccs3)c2O1 ZINC000067982896 274953439 /nfs/dbraw/zinc/95/34/39/274953439.db2.gz TZQOSIVOMPZMPZ-SECBINFHSA-N 1 0 266.753 2.726 50 0 CFAARO c1ccc2c(c1)CC[C@@]21C[N@H+](CCc2ccncc2)CCO1 ZINC000095435460 275069893 /nfs/dbraw/zinc/06/98/93/275069893.db2.gz OMVAFHZNALVFRJ-LJQANCHMSA-N 1 0 294.398 2.798 50 0 CFAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccncc2)CC1 ZINC000001495004 275822891 /nfs/dbraw/zinc/82/28/91/275822891.db2.gz KVEICFWHRVQJAL-UHFFFAOYSA-N 1 0 291.395 2.571 50 0 CFAARO CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000000317624 275884381 /nfs/dbraw/zinc/88/43/81/275884381.db2.gz SAZBROHXAAGVFN-AWEZNQCLSA-N 1 0 266.429 2.613 50 0 CFAARO CC(C)C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccn1 ZINC000245338751 275916596 /nfs/dbraw/zinc/91/65/96/275916596.db2.gz OIAKCPUYYUPIAR-CWRNSKLLSA-N 1 0 262.397 2.919 50 0 CFAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C)cc1F ZINC000043324537 276117162 /nfs/dbraw/zinc/11/71/62/276117162.db2.gz LBRWJRCNOPHSSI-GFCCVEGCSA-N 1 0 281.375 2.986 50 0 CFAARO CCS[C@H]1CCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000239527650 276401033 /nfs/dbraw/zinc/40/10/33/276401033.db2.gz ATQCPKJYYGGPLX-STQMWFEESA-N 1 0 253.415 2.537 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1c1nc(-c2cn3ccccc3n2)no1 ZINC000095384692 277042783 /nfs/dbraw/zinc/04/27/83/277042783.db2.gz ZVAGTSOZXZXJDM-CYBMUJFWSA-N 1 0 297.362 2.931 50 0 CFAARO C[N@@H+]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000020501509 277050441 /nfs/dbraw/zinc/05/04/41/277050441.db2.gz RUFPCCZREKTTIW-UHFFFAOYSA-N 1 0 268.360 2.618 50 0 CFAARO CN1CC[N@H+](Cc2ccncc2)Cc2ccccc21 ZINC000089382849 277109400 /nfs/dbraw/zinc/10/94/00/277109400.db2.gz SFMTYFIMHQQWMS-UHFFFAOYSA-N 1 0 253.349 2.534 50 0 CFAARO CC(C)(C)[NH2+]C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 ZINC000005439562 277173221 /nfs/dbraw/zinc/17/32/21/277173221.db2.gz SCKCXSZBBBPOIJ-QFQXCOSMSA-N 1 0 295.467 2.968 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)CCOCC1 ZINC000097146730 277188158 /nfs/dbraw/zinc/18/81/58/277188158.db2.gz UHBHLUOGFRGUDA-HZSPNIEDSA-N 1 0 255.402 2.596 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2sccc2C(C)C)C1 ZINC000133159271 277294996 /nfs/dbraw/zinc/29/49/96/277294996.db2.gz AMLAGWCHUXOAPJ-LLVKDONJSA-N 1 0 266.410 2.696 50 0 CFAARO CC(C)=CCN1CC[N@H+](CC2CCCCC2)C[C@H]1CCO ZINC000104517414 277324814 /nfs/dbraw/zinc/32/48/14/277324814.db2.gz QPCWDXVXZUJVOD-GOSISDBHSA-N 1 0 294.483 2.902 50 0 CFAARO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccccn1)C2 ZINC000090964699 277976149 /nfs/dbraw/zinc/97/61/49/277976149.db2.gz OEDCDHIJQSYBDY-OCCSQVGLSA-N 1 0 284.359 2.745 50 0 CFAARO COc1cccc([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1 ZINC000000089363 278022603 /nfs/dbraw/zinc/02/26/03/278022603.db2.gz YXWSSJFORTVBKI-GOSISDBHSA-N 1 0 299.370 2.948 50 0 CFAARO CC(=O)N1CC[n+]2c(-c3c(C)cc(C)cc3C)csc21 ZINC000008048446 278058316 /nfs/dbraw/zinc/05/83/16/278058316.db2.gz UCBXEGBODRNDNF-UHFFFAOYSA-N 1 0 287.408 2.994 50 0 CFAARO CSCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000237384815 278140537 /nfs/dbraw/zinc/14/05/37/278140537.db2.gz YNLKYWIBURNIOR-IUODEOHRSA-N 1 0 292.448 2.892 50 0 CFAARO CS[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000075921865 278163166 /nfs/dbraw/zinc/16/31/66/278163166.db2.gz QRJJLLHDFYKSKX-KBPBESRZSA-N 1 0 284.469 2.605 50 0 CFAARO CSc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000097370918 278176514 /nfs/dbraw/zinc/17/65/14/278176514.db2.gz XKPZZXVWQSTFRM-DOMZBBRYSA-N 1 0 297.489 2.797 50 0 CFAARO CC(C)(C)C1CCC([N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000757609 278301487 /nfs/dbraw/zinc/30/14/87/278301487.db2.gz VQQKVNXESJNLLB-IYXRBSQSSA-N 1 0 266.429 2.789 50 0 CFAARO C[C@@H]([NH2+]CC1(Sc2ccccc2)CCCC1)C(N)=O ZINC000096501961 278341349 /nfs/dbraw/zinc/34/13/49/278341349.db2.gz SAEHURIHLXCQGR-GFCCVEGCSA-N 1 0 278.421 2.555 50 0 CFAARO CC[C@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000182051162 288115068 /nfs/dbraw/zinc/11/50/68/288115068.db2.gz PIZVUHKMJMEDQM-DZGCQCFKSA-N 1 0 251.370 2.753 50 0 CFAARO ClC1=CC[C@H]2C[N@H+](CCN3CCCC3)C[C@H]2C1 ZINC000022045125 279289924 /nfs/dbraw/zinc/28/99/24/279289924.db2.gz QLOKZGCVMSPXQI-QWHCGFSZSA-N 1 0 254.805 2.547 50 0 CFAARO [NH3+]C1(c2nc(-c3ccc(O)cc3)no2)CCCCC1 ZINC000041032793 279618217 /nfs/dbraw/zinc/61/82/17/279618217.db2.gz SQMTVQBBZNBUAF-UHFFFAOYSA-N 1 0 259.309 2.560 50 0 CFAARO CCOC(=O)c1ccc2c(c1)c1c3n2C[NH2+]C[C@@H]3CCC1 ZINC000019925148 279636194 /nfs/dbraw/zinc/63/61/94/279636194.db2.gz VJECJMIOYCINST-LBPRGKRZSA-N 1 0 284.359 2.799 50 0 CFAARO CC[C@@H]([NH2+]Cc1cnnn1CC)c1cccs1 ZINC000459402530 281261396 /nfs/dbraw/zinc/26/13/96/281261396.db2.gz JXZFPTTXUVEXAM-LLVKDONJSA-N 1 0 250.371 2.600 50 0 CFAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)CC1CCCCC1 ZINC000090699768 289203509 /nfs/dbraw/zinc/20/35/09/289203509.db2.gz DDQYQLJJPQCUOH-OAHLLOKOSA-N 1 0 298.496 2.853 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)[C@@H]1COc2ccccc21 ZINC000195549053 290050699 /nfs/dbraw/zinc/05/06/99/290050699.db2.gz JBEYXVNBVLUBCJ-RCBQFDQVSA-N 1 0 297.402 2.952 50 0 CFAARO [NH3+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000019273557 295244208 /nfs/dbraw/zinc/24/42/08/295244208.db2.gz PVHXZRZDOGXTPE-AWEZNQCLSA-N 1 0 258.390 2.806 50 0 CFAARO [NH3+][C@H]1CN(C(=O)c2c(Cl)cccc2Cl)C[C@@H]1C1CC1 ZINC000091563282 295342471 /nfs/dbraw/zinc/34/24/71/295342471.db2.gz ZUPUWZGPIISDLD-SKDRFNHKSA-N 1 0 299.201 2.803 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092239355 298970620 /nfs/dbraw/zinc/97/06/20/298970620.db2.gz WMLUMAYVLRHNHA-YUTCNCBUSA-N 1 0 290.432 2.604 50 0 CFAARO CC[NH+](CC)CC1(NC(=O)c2c(C)cccc2OC)CC1 ZINC000534574463 328309532 /nfs/dbraw/zinc/30/95/32/328309532.db2.gz JIJQIDWOZWLCDU-UHFFFAOYSA-N 1 0 290.407 2.608 50 0 CFAARO CCN(C)C1(C[NH2+][C@@H]2CCCSC2)CCCC1 ZINC000534584220 328311956 /nfs/dbraw/zinc/31/19/56/328311956.db2.gz QDWNRGIPLOMTAM-CYBMUJFWSA-N 1 0 256.459 2.736 50 0 CFAARO Cc1ccc(CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000534585470 328315045 /nfs/dbraw/zinc/31/50/45/328315045.db2.gz KFVGNDLXTPQXAQ-INIZCTEOSA-N 1 0 286.419 2.671 50 0 CFAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)C[C@H]1CC1(F)F ZINC000534669356 328346679 /nfs/dbraw/zinc/34/66/79/328346679.db2.gz XSUPDTMTHQSCNL-LBPRGKRZSA-N 1 0 288.382 2.803 50 0 CFAARO C[C@@H](C(=O)N(C)CCC(F)(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000096486494 323617693 /nfs/dbraw/zinc/61/76/93/323617693.db2.gz HBDFAKOPWKXXOL-MXWKQRLJSA-N 1 0 280.334 2.659 50 0 CFAARO Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000191986239 324056180 /nfs/dbraw/zinc/05/61/80/324056180.db2.gz VBFHZDZELVOTAN-HNNXBMFYSA-N 1 0 285.391 2.792 50 0 CFAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C)o1 ZINC000195571208 324109750 /nfs/dbraw/zinc/10/97/50/324109750.db2.gz MQKHSYQWMAHBMZ-QWRGUYRKSA-N 1 0 255.387 2.532 50 0 CFAARO O[C@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000577639816 324762660 /nfs/dbraw/zinc/76/26/60/324762660.db2.gz XUFBAWQVGHKWPO-UMVBOHGHSA-N 1 0 279.355 2.933 50 0 CFAARO Cc1nc(CCOC(=O)C[C@@H](C[NH3+])CC(C)C)cs1 ZINC000521396588 326843953 /nfs/dbraw/zinc/84/39/53/326843953.db2.gz ZFHGSWXETTYLSQ-LBPRGKRZSA-N 1 0 284.425 2.548 50 0 CFAARO Cc1cc(C2=CC[NH2+]CC2)ncc1Br ZINC000536954668 330382942 /nfs/dbraw/zinc/38/29/42/330382942.db2.gz RWVHYDDSTHWWEB-UHFFFAOYSA-N 1 0 253.143 2.529 50 0 CFAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@H]2CO)o1 ZINC000828710938 782102871 /nfs/dbraw/zinc/10/28/71/782102871.db2.gz QFFWDZSLUXPINE-JSGCOSHPSA-N 1 0 251.370 2.928 50 0 CFAARO Cc1cc(C[NH2+][C@@H]2CCCSC2)ccc1-n1cncn1 ZINC000096452768 533718778 /nfs/dbraw/zinc/71/87/78/533718778.db2.gz NSYSVPLPAQPKCL-CQSZACIVSA-N 1 0 288.420 2.561 50 0 CFAARO CS[C@@]1(C)C[C@H]2[C@@H](C[C@@H]1[NH+]1CCOCC1)C2(C)C ZINC000096448104 534012956 /nfs/dbraw/zinc/01/29/56/534012956.db2.gz LZTQTTOSHLGSSO-OSFYFWSMSA-N 1 0 269.454 2.875 50 0 CFAARO CCCC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000068048839 520417526 /nfs/dbraw/zinc/41/75/26/520417526.db2.gz MMZLGOCCZMTCCB-ZDUSSCGKSA-N 1 0 271.788 2.812 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1 ZINC000019871915 521001540 /nfs/dbraw/zinc/00/15/40/521001540.db2.gz FGZGKHUZFAYJGU-HNNXBMFYSA-N 1 0 262.397 2.659 50 0 CFAARO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1 ZINC000019871891 521002372 /nfs/dbraw/zinc/00/23/72/521002372.db2.gz JBOCIVFYQFWXFJ-QGZVFWFLSA-N 1 0 271.360 2.909 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307946661 521726626 /nfs/dbraw/zinc/72/66/26/521726626.db2.gz KUZSPRQCDYDUIP-IVZWLZJFSA-N 1 0 271.348 2.564 50 0 CFAARO C[NH+](C)CC[C@H]1CN(C(=O)CCC2CCCCC2)CCO1 ZINC000012299607 521814747 /nfs/dbraw/zinc/81/47/47/521814747.db2.gz RJACCCFLDJTMCK-INIZCTEOSA-N 1 0 296.455 2.526 50 0 CFAARO Cc1cccc(C(C)(C)[NH2+]CC(=O)NCc2cccnc2)c1 ZINC000096491922 534636951 /nfs/dbraw/zinc/63/69/51/534636951.db2.gz WYMWJGVVHZQVSK-UHFFFAOYSA-N 1 0 297.402 2.531 50 0 CFAARO Clc1cccnc1N1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000096462948 534655754 /nfs/dbraw/zinc/65/57/54/534655754.db2.gz IVQZBFLIXQVALJ-GFCCVEGCSA-N 1 0 297.855 2.799 50 0 CFAARO CN(c1ccccc1)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000126218213 523648863 /nfs/dbraw/zinc/64/88/63/523648863.db2.gz DDJIPBTYSQOPHA-QGZVFWFLSA-N 1 0 274.408 2.766 50 0 CFAARO C[C@H](CNC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)c1cccs1 ZINC000221699770 524426649 /nfs/dbraw/zinc/42/66/49/524426649.db2.gz LOWZDVJSAOBSGV-JHJVBQTASA-N 1 0 295.452 2.634 50 0 CFAARO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000426407196 534853828 /nfs/dbraw/zinc/85/38/28/534853828.db2.gz YGLUQWJNWNKUMH-UHFFFAOYSA-N 1 0 254.337 2.831 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]CCOC[C@H]1CCCO1 ZINC000096477742 525887224 /nfs/dbraw/zinc/88/72/24/525887224.db2.gz PDCDRQRCVNTOGN-QWHCGFSZSA-N 1 0 269.410 2.903 50 0 CFAARO c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccn3)C2)cc1 ZINC000067948702 526471069 /nfs/dbraw/zinc/47/10/69/526471069.db2.gz LGCIACACYCTERW-OAHLLOKOSA-N 1 0 253.349 2.768 50 0 CFAARO CC[NH+](CC)CCCOc1c(C=O)cccc1OC ZINC000002845444 528114207 /nfs/dbraw/zinc/11/42/07/528114207.db2.gz WBWOAJIAEBVTPU-UHFFFAOYSA-N 1 0 265.353 2.618 50 0 CFAARO CC[NH2+]C(C)(C)CN1CCN(c2cccc(C)c2)CC1 ZINC000061299617 535451778 /nfs/dbraw/zinc/45/17/78/535451778.db2.gz FEAQBPHCOUUBJP-UHFFFAOYSA-N 1 0 275.440 2.505 50 0 CFAARO COc1cc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nc(OC)n1 ZINC000426359121 570359436 /nfs/dbraw/zinc/35/94/36/570359436.db2.gz UXFZUPBQBKDTLD-LLVKDONJSA-N 1 0 287.363 2.783 50 0 CFAARO CC(C)c1ccc(C[NH2+]CCN2CCCC[C@@H]2CO)cc1 ZINC000952979636 614310481 /nfs/dbraw/zinc/31/04/81/614310481.db2.gz DTTRBNLPFBCUSP-GOSISDBHSA-N 1 0 290.451 2.746 50 0 CFAARO CC1=C(C[NH2+][C@@H]2CC=CC[C@H]2C(N)=O)C(C)(C)CCC1 ZINC000952981755 614968585 /nfs/dbraw/zinc/96/85/85/614968585.db2.gz MRIUBUCMDDWAHZ-UKRRQHHQSA-N 1 0 276.424 2.923 50 0 CFAARO CC[C@H](C(=O)NC1(C2CCCC2)CC1)[N@H+](C)CC ZINC000952965658 615605545 /nfs/dbraw/zinc/60/55/45/615605545.db2.gz FTMNLNJVKRTQLA-CYBMUJFWSA-N 1 0 252.402 2.556 50 0 CFAARO CN(C)C1(C[NH2+]Cc2cccc3nonc32)CCCCC1 ZINC000952969098 615851498 /nfs/dbraw/zinc/85/14/98/615851498.db2.gz RSXVJOZCKDMNDI-UHFFFAOYSA-N 1 0 288.395 2.577 50 0 CFAARO CC[C@H]1C=CC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000952988749 615877160 /nfs/dbraw/zinc/87/71/60/615877160.db2.gz OVPAUSZRRQBGQG-HNNXBMFYSA-N 1 0 268.360 2.689 50 0 CFAARO CC[NH+](CC)C[C@H](C)[C@H](C)OC(=O)c1ccc(O)cc1 ZINC000002900291 618086539 /nfs/dbraw/zinc/08/65/39/618086539.db2.gz WGGFZEPTHKRXIN-STQMWFEESA-N 1 0 279.380 2.915 50 0 CFAARO COc1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000023115562 618118045 /nfs/dbraw/zinc/11/80/45/618118045.db2.gz FNSZQPPSWYDKHB-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO COCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000309929925 618253941 /nfs/dbraw/zinc/25/39/41/618253941.db2.gz YQEMASAGSKFWGW-UHFFFAOYSA-N 1 0 280.368 2.770 50 0 CFAARO CC(C)Oc1cncc(-c2ccc3c(c2)C[C@H]([NH3+])C3)c1 ZINC000935619473 618604612 /nfs/dbraw/zinc/60/46/12/618604612.db2.gz WWBBJPVQLFEXMH-MRXNPFEDSA-N 1 0 268.360 2.962 50 0 CFAARO Cc1c(-c2cccs2)[n+](=O)c2c(n1O)CCCCC2 ZINC000103655234 618922915 /nfs/dbraw/zinc/92/29/15/618922915.db2.gz JUXITHQJHKDGKA-UHFFFAOYSA-N 1 0 277.369 2.946 50 0 CFAARO c1coc(C[NH2+]CCOc2ccc3c(c2)CCC3)c1 ZINC000004841067 619057295 /nfs/dbraw/zinc/05/72/95/619057295.db2.gz WDPSUPGVWLWWTB-UHFFFAOYSA-N 1 0 257.333 2.937 50 0 CFAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@H](C)C1 ZINC000002499021 619093443 /nfs/dbraw/zinc/09/34/43/619093443.db2.gz XGSFSMOKZNRERD-IHRRRGAJSA-N 1 0 253.386 2.983 50 0 CFAARO O=C1C[C@@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098637 619132564 /nfs/dbraw/zinc/13/25/64/619132564.db2.gz MDXQXBPORFBZQZ-HOTGVXAUSA-N 1 0 272.392 2.786 50 0 CFAARO C[NH+](C)CC[C@H]1CCN(c2ncnc3c(F)cccc32)C1 ZINC000904217948 621552319 /nfs/dbraw/zinc/55/23/19/621552319.db2.gz XWUXYIPNZXDPQW-LBPRGKRZSA-N 1 0 288.370 2.547 50 0 CFAARO CC[NH+](CC)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000072557597 625684744 /nfs/dbraw/zinc/68/47/44/625684744.db2.gz UAIZKIHHHDUQKN-CQSZACIVSA-N 1 0 264.344 2.663 50 0 CFAARO COc1cccc2c1CCC[C@@H]2[NH2+]C1CCOCC1 ZINC000194858290 650731346 /nfs/dbraw/zinc/73/13/46/650731346.db2.gz WFUNIKYMOFHAEO-HNNXBMFYSA-N 1 0 261.365 2.841 50 0 CFAARO Cc1nccc(NCC2CC[NH+](C3CCCC3)CC2)n1 ZINC000952965820 650790105 /nfs/dbraw/zinc/79/01/05/650790105.db2.gz CEDCGHSHOKPYHL-UHFFFAOYSA-N 1 0 274.412 2.852 50 0 CFAARO Fc1ccc(N2CCC([NH+]3CCSCC3)CC2)cc1F ZINC000952969500 650790847 /nfs/dbraw/zinc/79/08/47/650790847.db2.gz AVDDDKQLWSXZIF-UHFFFAOYSA-N 1 0 298.402 2.982 50 0 CFAARO O=C(NCC1CC[NH+](CCC(F)(F)F)CC1)C1CCC1 ZINC000952971465 650790853 /nfs/dbraw/zinc/79/08/53/650790853.db2.gz ONEYJTCBYCVIIL-UHFFFAOYSA-N 1 0 292.345 2.567 50 0 CFAARO Fc1cnc(NC[C@H]2CCCC[C@@H]2[NH+]2CCCC2)cn1 ZINC000952992501 650791811 /nfs/dbraw/zinc/79/18/11/650791811.db2.gz GONSAQASKONWAB-OLZOCXBDSA-N 1 0 278.375 2.682 50 0 CFAARO OCc1cccc(C[NH2+]Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000952983057 650792005 /nfs/dbraw/zinc/79/20/05/650792005.db2.gz RGILERMDSRYZQP-UHFFFAOYSA-N 1 0 299.399 2.920 50 0 CFAARO C[N@@H+]1CCC[C@H]1CNc1nnc(-c2ccccc2)s1 ZINC000090083119 650864211 /nfs/dbraw/zinc/86/42/11/650864211.db2.gz DUDOHUKPQSSQON-LBPRGKRZSA-N 1 0 274.393 2.711 50 0 CFAARO O=C(CC1CC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012835235 651133141 /nfs/dbraw/zinc/13/31/41/651133141.db2.gz BKWABNXWHKRSII-INIZCTEOSA-N 1 0 278.440 2.947 50 0 CFAARO Cn1c2cc(Cl)ccc2cc(C[NH+]2CCCC2)c1=O ZINC000015069530 651184662 /nfs/dbraw/zinc/18/46/62/651184662.db2.gz PQVVDXGTQPJFCM-UHFFFAOYSA-N 1 0 276.767 2.788 50 0 CFAARO CC(C)=CCC/C(C)=C/C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000032533106 779024307 /nfs/dbraw/zinc/02/43/07/779024307.db2.gz KISRLNVIROEBQR-LULHVWEPSA-N 1 0 285.453 2.703 50 0 CFAARO CC/C=C\CCC[N@@H+]1CCC[C@@](CC)(C(N)=O)C1 ZINC000822293509 780887777 /nfs/dbraw/zinc/88/77/77/780887777.db2.gz CNKMNIKLBQQDTL-IYKSTZQJSA-N 1 0 252.402 2.710 50 0 CFAARO CC(C)c1noc(C2CC[NH+]([C@H]3CCSC3)CC2)n1 ZINC000822281427 781897550 /nfs/dbraw/zinc/89/75/50/781897550.db2.gz NRQCHKWOKHZVGA-LBPRGKRZSA-N 1 0 281.425 2.878 50 0 CFAARO CCCC[C@@H](NC(=O)CC[NH+]1CCCC1)c1cccnc1 ZINC000822830937 781910835 /nfs/dbraw/zinc/91/08/35/781910835.db2.gz SYPYFJPLEFJSHL-MRXNPFEDSA-N 1 0 289.423 2.915 50 0 CFAARO CCCC1(CO)CC[NH+](CC[C@H]2CC2(F)F)CC1 ZINC000822799648 781911670 /nfs/dbraw/zinc/91/16/70/781911670.db2.gz TUGLGOQLQOJYDB-LBPRGKRZSA-N 1 0 261.356 2.906 50 0 CFAARO CSc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1Cl ZINC000098016236 230391112 /nfs/dbraw/zinc/39/11/12/230391112.db2.gz OOPGFRTXCUUNES-SNVBAGLBSA-N 1 0 270.785 2.752 50 0 CFAARO Cc1ncccc1C[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000096501567 230385015 /nfs/dbraw/zinc/38/50/15/230385015.db2.gz APSPUQBZMMEQRM-UHFFFAOYSA-N 1 0 297.358 2.636 50 0 CFAARO O=C1OC2(CN1Cc1ccc(F)cc1Cl)CC[NH2+]CC2 ZINC000095528379 185004750 /nfs/dbraw/zinc/00/47/50/185004750.db2.gz AZLMPYTXXMGSLE-UHFFFAOYSA-N 1 0 298.745 2.554 50 0 CFAARO CC(C)[C@@H](C)SCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000095962052 185044539 /nfs/dbraw/zinc/04/45/39/185044539.db2.gz FLZNCPPFQHYZLJ-GFCCVEGCSA-N 1 0 284.469 2.507 50 0 CFAARO CSC[C@@](C)(O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000095968284 185046614 /nfs/dbraw/zinc/04/66/14/185046614.db2.gz UJERFHWRWFALCN-KBPBESRZSA-N 1 0 269.385 2.517 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)s1 ZINC000095968053 185046948 /nfs/dbraw/zinc/04/69/48/185046948.db2.gz JGDWDAMGKLPJSA-CHWSQXEVSA-N 1 0 269.410 2.903 50 0 CFAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)cc1F ZINC000095969051 185047555 /nfs/dbraw/zinc/04/75/55/185047555.db2.gz GANPCTVYBJTDBX-BXUZGUMPSA-N 1 0 289.354 2.759 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000095978186 185051948 /nfs/dbraw/zinc/05/19/48/185051948.db2.gz NJMWCDHHGJCNBB-ONGXEEELSA-N 1 0 266.366 2.646 50 0 CFAARO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000095978828 185052931 /nfs/dbraw/zinc/05/29/31/185052931.db2.gz VTIIUUBKLZEWLN-JKSUJKDBSA-N 1 0 277.408 2.572 50 0 CFAARO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1c(F)cccc1Cl ZINC000095985949 185056791 /nfs/dbraw/zinc/05/67/91/185056791.db2.gz KGYKYHZEYBOLED-SECBINFHSA-N 1 0 293.791 2.564 50 0 CFAARO COCc1nc(C[NH2+][C@@H]2CCO[C@@H](CC(C)C)C2)cs1 ZINC000095991114 185058557 /nfs/dbraw/zinc/05/85/57/185058557.db2.gz JCTLZRRRKVQZRA-OCCSQVGLSA-N 1 0 298.452 2.973 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000095995908 185060142 /nfs/dbraw/zinc/06/01/42/185060142.db2.gz NTNAGVAPIIEPCV-AAEUAGOBSA-N 1 0 264.369 2.526 50 0 CFAARO Cc1cc(C[NH2+]CCc2nccn2C)ccc1Cl ZINC000096002085 185062281 /nfs/dbraw/zinc/06/22/81/185062281.db2.gz XDWPFMUQYRUSHX-UHFFFAOYSA-N 1 0 263.772 2.714 50 0 CFAARO CC[C@@H](O)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000096014113 185066245 /nfs/dbraw/zinc/06/62/45/185066245.db2.gz MJFXLOMXQYKZLR-WCQYABFASA-N 1 0 260.337 2.763 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]CCn1cc(C)cn1 ZINC000096035660 185069329 /nfs/dbraw/zinc/06/93/29/185069329.db2.gz DXTBZZWMIXXVAH-GXDHUFHOSA-N 1 0 255.365 2.885 50 0 CFAARO COCc1[nH]nc(C)c1-c1ccc(C[NH+](C)C)cc1 ZINC000096140717 185105859 /nfs/dbraw/zinc/10/58/59/185105859.db2.gz KQXGPJAIJGOEBA-UHFFFAOYSA-N 1 0 259.353 2.593 50 0 CFAARO COc1ccc(C[NH2+]CCCn2ccnc2)cc1Cl ZINC000096871890 185119265 /nfs/dbraw/zinc/11/92/65/185119265.db2.gz ZPXFIKHSCLGQCT-UHFFFAOYSA-N 1 0 279.771 2.725 50 0 CFAARO CCOC[C@@H](O)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000097020508 185152594 /nfs/dbraw/zinc/15/25/94/185152594.db2.gz QICKMMJFQUVGMU-ZDUSSCGKSA-N 1 0 271.788 2.562 50 0 CFAARO CCc1sc([C@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1C ZINC000097033445 185155667 /nfs/dbraw/zinc/15/56/67/185155667.db2.gz VHZVODPBWVGMGD-MNOVXSKESA-N 1 0 289.466 2.703 50 0 CFAARO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2O)ccc1F ZINC000097032490 185156693 /nfs/dbraw/zinc/15/66/93/185156693.db2.gz WLUQUQJDNNPQAT-SUHUHFCYSA-N 1 0 267.344 2.646 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000097035000 185157479 /nfs/dbraw/zinc/15/74/79/185157479.db2.gz ZZIMSIYCKBUDFC-SRCQZFHVSA-N 1 0 291.439 2.592 50 0 CFAARO CN(C(=O)OC(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000069870227 346902109 /nfs/dbraw/zinc/90/21/09/346902109.db2.gz NTGDXBSMYOGMAM-UHFFFAOYSA-N 1 0 294.395 2.998 50 0 CFAARO O=C1N2CC[NH2+]C[C@H]2[C@H](c2ccccc2)N1C1CCCCC1 ZINC000072233678 346924076 /nfs/dbraw/zinc/92/40/76/346924076.db2.gz GGNMCQFOVFNIOU-IRXDYDNUSA-N 1 0 299.418 2.770 50 0 CFAARO Cc1cccn2cc(C[NH2+][C@@H](C)[C@@H](C)n3cccn3)nc12 ZINC000075606811 347086553 /nfs/dbraw/zinc/08/65/53/347086553.db2.gz WPGREUMKBZEQGF-UONOGXRCSA-N 1 0 283.379 2.579 50 0 CFAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000097146494 185549029 /nfs/dbraw/zinc/54/90/29/185549029.db2.gz AMKVLDQRYOCHOU-YWPYICTPSA-N 1 0 263.429 2.994 50 0 CFAARO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000075611503 347087568 /nfs/dbraw/zinc/08/75/68/347087568.db2.gz ZVFKYUTZGWWJMV-OAHLLOKOSA-N 1 0 255.365 2.925 50 0 CFAARO Cc1ccc(C[C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)cc1 ZINC000075611495 347087594 /nfs/dbraw/zinc/08/75/94/347087594.db2.gz ZVFKYUTZGWWJMV-HNNXBMFYSA-N 1 0 255.365 2.925 50 0 CFAARO Cc1cccnc1[C@H](C)NC(=O)CCC1CC[NH+](C)CC1 ZINC000097515049 185620009 /nfs/dbraw/zinc/62/00/09/185620009.db2.gz KQMBINDPLYMYHQ-AWEZNQCLSA-N 1 0 289.423 2.689 50 0 CFAARO Cc1cc(C)c(OCCCC[NH2+]CCO)c(Cl)c1 ZINC000002931344 346207255 /nfs/dbraw/zinc/20/72/55/346207255.db2.gz VMZAYJLOVSQSRO-UHFFFAOYSA-N 1 0 271.788 2.698 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)cc1C ZINC000006054462 346213338 /nfs/dbraw/zinc/21/33/38/346213338.db2.gz CGXFLSFZVZZFFI-HZPDHXFCSA-N 1 0 277.408 2.918 50 0 CFAARO Cc1ccc(OCCCC[NH+]2CCOCC2)c(C)c1 ZINC000019607417 346241969 /nfs/dbraw/zinc/24/19/69/346241969.db2.gz GHBQPEOLQLRJNR-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO C[N@@H+]1CCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020496257 346243823 /nfs/dbraw/zinc/24/38/23/346243823.db2.gz ICRZPJUBBOFWFZ-UHFFFAOYSA-N 1 0 290.451 2.757 50 0 CFAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(Br)o1 ZINC000022078340 346246980 /nfs/dbraw/zinc/24/69/80/346246980.db2.gz DTUDASASKRVRRY-PWSUYJOCSA-N 1 0 299.212 2.711 50 0 CFAARO COc1cc(OC)cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)c1 ZINC000022023015 346247156 /nfs/dbraw/zinc/24/71/56/346247156.db2.gz NMEBYIBYZUPXFM-YESZJQIVSA-N 1 0 291.391 2.660 50 0 CFAARO Cc1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2)c1 ZINC000032131628 346300792 /nfs/dbraw/zinc/30/07/92/346300792.db2.gz TVEJWFVHZHIXAX-QGZVFWFLSA-N 1 0 285.387 2.567 50 0 CFAARO CN(CCCCc1ccccc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368727 179038695 /nfs/dbraw/zinc/03/86/95/179038695.db2.gz JIQWYNKMCRVSCS-HOTGVXAUSA-N 1 0 274.408 2.595 50 0 CFAARO COc1ccc2nc(NCCC[NH+](C)C)sc2c1 ZINC000085436320 179063028 /nfs/dbraw/zinc/06/30/28/179063028.db2.gz FIJXLZIBNWLPQR-UHFFFAOYSA-N 1 0 265.382 2.669 50 0 CFAARO CC(C)(C)NC(=O)C[NH+]1CCC(c2cccs2)CC1 ZINC000085473459 179077859 /nfs/dbraw/zinc/07/78/59/179077859.db2.gz JWBAPJKDCBWUMN-UHFFFAOYSA-N 1 0 280.437 2.842 50 0 CFAARO c1ccc(CN(Cc2ccccc2)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000100059515 185703707 /nfs/dbraw/zinc/70/37/07/185703707.db2.gz KDGSINLHKLATBU-BWTSREIZSA-N 1 0 278.399 2.907 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000078897211 347278608 /nfs/dbraw/zinc/27/86/08/347278608.db2.gz WPPVMWJHVKSVRO-CMPLNLGQSA-N 1 0 284.787 2.670 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000078897195 347279092 /nfs/dbraw/zinc/27/90/92/347279092.db2.gz WPPVMWJHVKSVRO-PWSUYJOCSA-N 1 0 284.787 2.670 50 0 CFAARO CC[N@H+](C[C@H](O)c1cc(C)ccc1C)C[C@@H]1CCOC1 ZINC000078947564 347281049 /nfs/dbraw/zinc/28/10/49/347281049.db2.gz PNELGSQDNINNPI-RDJZCZTQSA-N 1 0 277.408 2.695 50 0 CFAARO CCOCCC[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000080327672 347353826 /nfs/dbraw/zinc/35/38/26/347353826.db2.gz YJQXOYMKUMQYOY-UHFFFAOYSA-N 1 0 277.393 2.721 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)[C@@H](C)C1 ZINC000084133226 347457330 /nfs/dbraw/zinc/45/73/30/347457330.db2.gz FHZMGHXXMSRIIY-WMLDXEAASA-N 1 0 274.408 2.650 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)C[N@@H+](C)C[C@H]1CC ZINC000095882803 347699236 /nfs/dbraw/zinc/69/92/36/347699236.db2.gz VFVRCUAINDTTOF-CZUORRHYSA-N 1 0 261.365 2.807 50 0 CFAARO C[C@@H]1Oc2ccccc2[C@@H]([NH2+]Cc2ccccc2)[C@H]1O ZINC000096027887 347700322 /nfs/dbraw/zinc/70/03/22/347700322.db2.gz BXDXXMHVUIZCKR-VUCTXSBTSA-N 1 0 269.344 2.659 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC1(C)OCCO1 ZINC000097098931 347706993 /nfs/dbraw/zinc/70/69/93/347706993.db2.gz FQMXAJMVZDUGTG-KGLIPLIRSA-N 1 0 253.386 2.722 50 0 CFAARO O[C@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)c1ccco1 ZINC000097371354 347708576 /nfs/dbraw/zinc/70/85/76/347708576.db2.gz WBJSQRCFEDUTMT-PESDSKBTSA-N 1 0 275.323 2.988 50 0 CFAARO C[C@H]1CCCC[C@H]1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000097373006 347708606 /nfs/dbraw/zinc/70/86/06/347708606.db2.gz FRRPKHYAGQYJEL-JSGCOSHPSA-N 1 0 262.401 2.810 50 0 CFAARO C[C@@H](CNC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccsc1 ZINC000097376400 347709244 /nfs/dbraw/zinc/70/92/44/347709244.db2.gz RMEAXPWSZONHEV-WFASDCNBSA-N 1 0 292.448 2.842 50 0 CFAARO COc1ccc(C)c(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)c1 ZINC000097376419 347709500 /nfs/dbraw/zinc/70/95/00/347709500.db2.gz WYNPLFFJDIRJCS-MRXNPFEDSA-N 1 0 288.391 2.817 50 0 CFAARO C[C@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)[C@@H]1CCCO1 ZINC000097374178 347709701 /nfs/dbraw/zinc/70/97/01/347709701.db2.gz XEEVDPXQXAJULD-DRZSPHRISA-N 1 0 282.409 2.652 50 0 CFAARO CC(C)C[N@@H+]1CCCC[C@H]1c1nncn1CC1CC1 ZINC000097941522 347711809 /nfs/dbraw/zinc/71/18/09/347711809.db2.gz BFQPPOHXLAXYKB-AWEZNQCLSA-N 1 0 262.401 2.871 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[C@H]2SC)o1 ZINC000110642500 347749431 /nfs/dbraw/zinc/74/94/31/347749431.db2.gz JSDFQMKOYPWYCF-WCQYABFASA-N 1 0 283.393 2.782 50 0 CFAARO [NH3+]Cc1cc(OCC(F)(F)F)ccc1Br ZINC000127942588 347845986 /nfs/dbraw/zinc/84/59/86/347845986.db2.gz KZBGQUFENDMDHX-UHFFFAOYSA-N 1 0 284.075 2.849 50 0 CFAARO C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000155241134 347985770 /nfs/dbraw/zinc/98/57/70/347985770.db2.gz MUNGMBFBZHIUFL-ZBFHGGJFSA-N 1 0 297.439 2.857 50 0 CFAARO C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000159272254 348011130 /nfs/dbraw/zinc/01/11/30/348011130.db2.gz NOMGQUVCSAJTAJ-HZPDHXFCSA-N 1 0 298.434 2.875 50 0 CFAARO Cc1cccc(C2CC([NH2+][C@H](C)CCS(C)(=O)=O)C2)c1 ZINC000154254942 347979155 /nfs/dbraw/zinc/97/91/55/347979155.db2.gz BQWUAUSGYGRZMI-IUDNXUCKSA-N 1 0 295.448 2.654 50 0 CFAARO COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)oc21 ZINC000170065716 348053623 /nfs/dbraw/zinc/05/36/23/348053623.db2.gz RIYGIZFKDOTZGR-MKXJDEKUSA-N 1 0 295.404 2.859 50 0 CFAARO CON(C)C(=O)CC[N@H+](Cc1ccoc1)C1CCCCC1 ZINC000170616858 348057506 /nfs/dbraw/zinc/05/75/06/348057506.db2.gz RIFDWCUVXOVKRI-UHFFFAOYSA-N 1 0 294.395 2.824 50 0 CFAARO CCCc1nc(C[NH2+][C@H](C)[C@H]2CCCO2)cs1 ZINC000183121041 348126160 /nfs/dbraw/zinc/12/61/60/348126160.db2.gz VNPQPSBOJZHYCA-ZYHUDNBSSA-N 1 0 254.399 2.753 50 0 CFAARO C[C@H](Cc1ccccc1F)[NH2+]CC1(CO)CCC1 ZINC000188452552 348132712 /nfs/dbraw/zinc/13/27/12/348132712.db2.gz YPQZQCFDXDEPSW-GFCCVEGCSA-N 1 0 251.345 2.509 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000195550771 348146331 /nfs/dbraw/zinc/14/63/31/348146331.db2.gz RTCUBHUNWOHCCM-NWDGAFQWSA-N 1 0 281.469 2.919 50 0 CFAARO COC(=O)[C@@H]1CCCCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000195568780 348146838 /nfs/dbraw/zinc/14/68/38/348146838.db2.gz NOPBGMLVGPHIET-VXGBXAGGSA-N 1 0 282.409 2.663 50 0 CFAARO COc1ccc([C@@H]2C[C@@H](C)C[N@@H+]2CCC2OCCO2)cc1 ZINC000195565955 348146881 /nfs/dbraw/zinc/14/68/81/348146881.db2.gz GMNKJOBJMRGVCS-CJNGLKHVSA-N 1 0 291.391 2.841 50 0 CFAARO Cc1cccc2nc(C[NH2+][C@H]3CCCC3(C)C)cc(=O)n12 ZINC000225570138 348178310 /nfs/dbraw/zinc/17/83/10/348178310.db2.gz HLKHVADLYABKME-AWEZNQCLSA-N 1 0 285.391 2.671 50 0 CFAARO COc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)ccc1O ZINC000225670936 348179265 /nfs/dbraw/zinc/17/92/65/348179265.db2.gz KNCJZYLCPLHTPV-CQSZACIVSA-N 1 0 284.359 2.785 50 0 CFAARO Cc1cc(C)n(-c2cccc(C[N@@H+](C)[C@H]3CCN(C)C3)c2)n1 ZINC000230496007 348206043 /nfs/dbraw/zinc/20/60/43/348206043.db2.gz GCAZFWWSFPTLBS-SFHVURJKSA-N 1 0 298.434 2.625 50 0 CFAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1 ZINC000245339360 348252141 /nfs/dbraw/zinc/25/21/41/348252141.db2.gz SFJOIDMOLHOWGR-MSQAHXEGSA-N 1 0 291.439 2.539 50 0 CFAARO CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000087121328 179396404 /nfs/dbraw/zinc/39/64/04/179396404.db2.gz MYXTVALRDZDKKO-ARFHVFGLSA-N 1 0 296.455 2.571 50 0 CFAARO CCC[C@@H](C)C(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1 ZINC000725264680 539621530 /nfs/dbraw/zinc/62/15/30/539621530.db2.gz GWYVHXCRZJTMNY-SNVBAGLBSA-N 1 0 280.334 2.552 50 0 CFAARO CCOc1ccc(-c2cc(C[NH2+]C(C)C)[nH]n2)cc1 ZINC000725264791 539622072 /nfs/dbraw/zinc/62/20/72/539622072.db2.gz XLDSDLLBHHZDFA-UHFFFAOYSA-N 1 0 259.353 2.973 50 0 CFAARO Cc1nc([C@@H](C)[NH2+]C2CSCCSC2)cs1 ZINC000584886529 348727633 /nfs/dbraw/zinc/72/76/33/348727633.db2.gz CLVWHTCPNNYRRV-MRVPVSSYSA-N 1 0 274.480 2.951 50 0 CFAARO Cc1nccn1CC[C@@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584891861 348729009 /nfs/dbraw/zinc/72/90/09/348729009.db2.gz GTKUOFMILGOLNG-CYBMUJFWSA-N 1 0 272.396 2.772 50 0 CFAARO CN(C[C@H]1CCCC[N@@H+]1C)c1nc(-c2ccccc2)no1 ZINC000584896435 348731042 /nfs/dbraw/zinc/73/10/42/348731042.db2.gz LYWHCFWMOYHTIR-CQSZACIVSA-N 1 0 286.379 2.657 50 0 CFAARO COC[C@@H](C)[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000584896413 348731380 /nfs/dbraw/zinc/73/13/80/348731380.db2.gz JHDYHKYLASTYNP-SNVBAGLBSA-N 1 0 281.787 2.773 50 0 CFAARO C[C@H](CCC(=O)N(C)Cc1cccc(O)c1)[NH+]1CCCC1 ZINC000584899410 348731820 /nfs/dbraw/zinc/73/18/20/348731820.db2.gz GDOIUXJONXSOJW-CQSZACIVSA-N 1 0 290.407 2.615 50 0 CFAARO CC[C@H](C[NH+](C)C)n1cnc2c(C)cc(C)cc2c1=O ZINC000584900763 348732286 /nfs/dbraw/zinc/73/22/86/348732286.db2.gz JXXOISLRDXBWFQ-CYBMUJFWSA-N 1 0 273.380 2.526 50 0 CFAARO C[C@H](Cn1cnc2cccc(Cl)c2c1=O)[NH+]1CCCC1 ZINC000584903065 348732758 /nfs/dbraw/zinc/73/27/58/348732758.db2.gz AMTVAMYRBDWTRJ-LLVKDONJSA-N 1 0 291.782 2.534 50 0 CFAARO C[NH2+]Cc1cn(Cc2c(C)ccc3ccccc32)nn1 ZINC000585134521 348735425 /nfs/dbraw/zinc/73/54/25/348735425.db2.gz XSSKNTVEVVPQMX-UHFFFAOYSA-N 1 0 266.348 2.507 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000585134879 348735603 /nfs/dbraw/zinc/73/56/03/348735603.db2.gz NQIGMLJVFFLZCX-WQVCFCJDSA-N 1 0 277.412 2.568 50 0 CFAARO Cc1ncc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)o1 ZINC000585140363 348736275 /nfs/dbraw/zinc/73/62/75/348736275.db2.gz CQPPSPVUHWTWTA-UHFFFAOYSA-N 1 0 299.418 2.910 50 0 CFAARO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000585141173 348737046 /nfs/dbraw/zinc/73/70/46/348737046.db2.gz QQGOSDIVRMIIEX-QWHCGFSZSA-N 1 0 295.452 2.660 50 0 CFAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)Nc1ccccc1 ZINC000090608912 180012218 /nfs/dbraw/zinc/01/22/18/180012218.db2.gz UYRUWCWPGMDITA-AWEZNQCLSA-N 1 0 293.436 2.588 50 0 CFAARO CC(C)C[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cnccn1 ZINC000090666952 180020076 /nfs/dbraw/zinc/02/00/76/180020076.db2.gz FIHYEKZTAVKWCH-GJZGRUSLSA-N 1 0 276.428 2.638 50 0 CFAARO C[C@@H]([NH2+]CCC1Cc2ccccc2C1)c1cnccn1 ZINC000090853863 180047399 /nfs/dbraw/zinc/04/73/99/180047399.db2.gz GPJYUMIRKYSZFE-CYBMUJFWSA-N 1 0 267.376 2.932 50 0 CFAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(Cl)c1)C2 ZINC000091381373 180144093 /nfs/dbraw/zinc/14/40/93/180144093.db2.gz HEDBYYJAVROJPH-BXUZGUMPSA-N 1 0 278.783 2.506 50 0 CFAARO CN(Cc1cccs1)c1nc(N)[nH+]c2c1CCCC2 ZINC000091563032 180192947 /nfs/dbraw/zinc/19/29/47/180192947.db2.gz RTEOEWXUURBFDI-UHFFFAOYSA-N 1 0 274.393 2.636 50 0 CFAARO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091541239 180183920 /nfs/dbraw/zinc/18/39/20/180183920.db2.gz FKAYAWDLQGGXEY-UWVGGRQHSA-N 1 0 284.762 2.565 50 0 CFAARO CCc1ccc(CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000091546318 180186815 /nfs/dbraw/zinc/18/68/15/180186815.db2.gz ZAYHDCBPOJWKJN-CVEARBPZSA-N 1 0 286.419 2.867 50 0 CFAARO [NH3+]Cc1ccccc1C[C@H]1COc2ccccc2C1 ZINC000091548039 180187687 /nfs/dbraw/zinc/18/76/87/180187687.db2.gz NANSRCPFPAXLLI-CYBMUJFWSA-N 1 0 253.345 2.939 50 0 CFAARO C[NH+](C)CCCNC(=O)c1ccc2sccc2c1 ZINC000091665459 180220758 /nfs/dbraw/zinc/22/07/58/180220758.db2.gz GBSWUYIINAXFAE-UHFFFAOYSA-N 1 0 262.378 2.583 50 0 CFAARO Cc1ccc(NC(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)cc1 ZINC000091769724 180249699 /nfs/dbraw/zinc/24/96/99/180249699.db2.gz ZYOHOWGIBJXUBG-UKRRQHHQSA-N 1 0 273.380 2.553 50 0 CFAARO Cc1csc([C@H](C)Nc2nc(N)[nH+]c(C)c2C)n1 ZINC000091877123 180278574 /nfs/dbraw/zinc/27/85/74/180278574.db2.gz SVZBIBOBZBOSFF-VIFPVBQESA-N 1 0 263.370 2.614 50 0 CFAARO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C(C)C)C2)cs1 ZINC000091894258 180282553 /nfs/dbraw/zinc/28/25/53/180282553.db2.gz JJBUFWIWCJBISV-KGLIPLIRSA-N 1 0 280.437 2.715 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000105754775 186070512 /nfs/dbraw/zinc/07/05/12/186070512.db2.gz LHIIWSZSBBRDDG-QWHCGFSZSA-N 1 0 269.410 2.500 50 0 CFAARO CCc1nc(C)sc1C[N@@H+]1CC[C@@](O)(C2CC2)[C@H](C)C1 ZINC000092065259 180316569 /nfs/dbraw/zinc/31/65/69/180316569.db2.gz IPFGJTXTXXZGAU-BZNIZROVSA-N 1 0 294.464 2.997 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccc(F)cn1 ZINC000092195370 180341346 /nfs/dbraw/zinc/34/13/46/180341346.db2.gz POOWIHJNMVMCGY-DGCLKSJQSA-N 1 0 288.322 2.711 50 0 CFAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cccn1 ZINC000106108026 186103246 /nfs/dbraw/zinc/10/32/46/186103246.db2.gz ILXBEWDZUNQOCC-CRAIPNDOSA-N 1 0 299.418 2.545 50 0 CFAARO c1cc2c(ncnc2N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000106826691 186138135 /nfs/dbraw/zinc/13/81/35/186138135.db2.gz VPYOQVZCKRQYCW-NEPJUHHUSA-N 1 0 274.393 2.730 50 0 CFAARO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2)on1 ZINC000107071307 186159256 /nfs/dbraw/zinc/15/92/56/186159256.db2.gz XTMZBNCWBWVNTL-VXGBXAGGSA-N 1 0 273.336 2.661 50 0 CFAARO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2)on1 ZINC000107070514 186159276 /nfs/dbraw/zinc/15/92/76/186159276.db2.gz XTMZBNCWBWVNTL-RYUDHWBXSA-N 1 0 273.336 2.661 50 0 CFAARO Cn1cncc1CNC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000109077215 186242605 /nfs/dbraw/zinc/24/26/05/186242605.db2.gz AYGBJTKJTBRPPA-MRXNPFEDSA-N 1 0 290.455 2.554 50 0 CFAARO FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000109543133 186260984 /nfs/dbraw/zinc/26/09/84/186260984.db2.gz KSXCODMGBXALLK-NSHDSACASA-N 1 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FSRNLNFGTHULGV-ZTFGCOKTSA-N 1 0 299.418 2.977 50 0 CFAARO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)[C@H]2CCO[C@H]21 ZINC000685939667 540020950 /nfs/dbraw/zinc/02/09/50/540020950.db2.gz FEVWOZLZEQKKFU-YVECIDJPSA-N 1 0 267.413 2.736 50 0 CFAARO C[C@H](C[NH3+])N(C)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000170048370 188667980 /nfs/dbraw/zinc/66/79/80/188667980.db2.gz OPKQTCSVNAYIHM-JLZZUVOBSA-N 1 0 282.387 2.749 50 0 CFAARO CC(=O)NC1CC[NH+](C[C@@H](C)c2ccc(C)cc2)CC1 ZINC000628158311 354451844 /nfs/dbraw/zinc/45/18/44/354451844.db2.gz KPGZTUICLLROND-CQSZACIVSA-N 1 0 274.408 2.699 50 0 CFAARO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000239654044 540042100 /nfs/dbraw/zinc/04/21/00/540042100.db2.gz BMLKPBJNXKZGNN-ORQFMDKSSA-N 1 0 277.408 2.903 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000630061462 354994160 /nfs/dbraw/zinc/99/41/60/354994160.db2.gz XMVJMJIRVMEINJ-CMPLNLGQSA-N 1 0 279.334 2.978 50 0 CFAARO CC(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000083815613 540184502 /nfs/dbraw/zinc/18/45/02/540184502.db2.gz UXNZQUHQVXKMPC-GFCCVEGCSA-N 1 0 283.318 2.740 50 0 CFAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2occc2C)cn1 ZINC000083843471 540185191 /nfs/dbraw/zinc/18/51/91/540185191.db2.gz YXNWYOKUVBAHIS-CZUORRHYSA-N 1 0 289.379 2.672 50 0 CFAARO Fc1ccccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083408196 540179519 /nfs/dbraw/zinc/17/95/19/540179519.db2.gz JWBNHWCFNNUJPR-MRXNPFEDSA-N 1 0 293.382 2.986 50 0 CFAARO FC(F)(F)CC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083414508 540179662 /nfs/dbraw/zinc/17/96/62/540179662.db2.gz VIHDKIMBSRXSKU-GFCCVEGCSA-N 1 0 281.318 2.599 50 0 CFAARO CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C)n1 ZINC000083476830 540180983 /nfs/dbraw/zinc/18/09/83/540180983.db2.gz SYKPMURMAYLKBA-LXIYXOSZSA-N 1 0 286.466 2.621 50 0 CFAARO Cc1ncc(C[NH2+]C[C@H](C)N(C)C2CC2)n1-c1ccccc1 ZINC000084022219 540191982 /nfs/dbraw/zinc/19/19/82/540191982.db2.gz AZIMCQWASXGDAX-AWEZNQCLSA-N 1 0 298.434 2.753 50 0 CFAARO Cc1nc(CN(Cc2ccccc2)[C@@H]2CC[N@@H+](C)C2)oc1C ZINC000084061342 540192407 /nfs/dbraw/zinc/19/24/07/540192407.db2.gz IFWHDZWXCZJTQJ-QGZVFWFLSA-N 1 0 299.418 2.998 50 0 CFAARO COc1ccc2nc(NC(=O)C(C)(C)[NH+](C)C)sc2c1 ZINC000084139908 540195425 /nfs/dbraw/zinc/19/54/25/540195425.db2.gz BBJKFVMRGBEOEI-UHFFFAOYSA-N 1 0 293.392 2.584 50 0 CFAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000002624181 169816220 /nfs/dbraw/zinc/81/62/20/169816220.db2.gz MCYLYLQVTSBYAN-PSKZRQQASA-N 1 0 293.407 2.856 50 0 CFAARO CC(C)[C@H]([NH2+]Cc1ccnn1C)c1ccc2c(c1)CCO2 ZINC000091284391 540393000 /nfs/dbraw/zinc/39/30/00/540393000.db2.gz HZXWXIDJVYKTBN-KRWDZBQOSA-N 1 0 285.391 2.842 50 0 CFAARO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cccnc1 ZINC000092747814 540413225 /nfs/dbraw/zinc/41/32/25/540413225.db2.gz JZQRZTQYJDFMCL-KDOFPFPSSA-N 1 0 282.387 2.956 50 0 CFAARO Cc1oc(C)c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1C ZINC000084061199 540681574 /nfs/dbraw/zinc/68/15/74/540681574.db2.gz ILSPRXIRTYJYNS-AWEZNQCLSA-N 1 0 276.380 2.515 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000311255136 283548380 /nfs/dbraw/zinc/54/83/80/283548380.db2.gz NBBPRCLVZCFWIG-PIZKADEWSA-N 1 0 278.783 2.564 50 0 CFAARO CC1(C)CN(c2cc[nH+]c3ccccc32)CC[S@]1=O ZINC000088756760 540715801 /nfs/dbraw/zinc/71/58/01/540715801.db2.gz COXBLBLJANYBRF-IBGZPJMESA-N 1 0 274.389 2.582 50 0 CFAARO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCC1(C)C ZINC000095423717 540724139 /nfs/dbraw/zinc/72/41/39/540724139.db2.gz AFLLYBHYYQLVLV-NEPJUHHUSA-N 1 0 262.401 2.844 50 0 CFAARO COC(=O)N1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000095420816 540724153 /nfs/dbraw/zinc/72/41/53/540724153.db2.gz JLZKKHAUMRETRC-WBMJQRKESA-N 1 0 288.391 2.740 50 0 CFAARO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCOCC1)CCO2 ZINC000095402998 540724645 /nfs/dbraw/zinc/72/46/45/540724645.db2.gz IYFDFWJKZOJDEZ-HNNXBMFYSA-N 1 0 261.365 2.896 50 0 CFAARO O[C@H]1C[C@H](C2CCCCC2)[N@H+](Cc2ccncc2)C1 ZINC000095401527 540725093 /nfs/dbraw/zinc/72/50/93/540725093.db2.gz XJAYRKLRCBTBSG-JKSUJKDBSA-N 1 0 260.381 2.597 50 0 CFAARO C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)c2ccccc21 ZINC000095971053 540725896 /nfs/dbraw/zinc/72/58/96/540725896.db2.gz JMIJFBYIZVXSID-CZUORRHYSA-N 1 0 280.371 2.707 50 0 CFAARO C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)c2ccccc21 ZINC000095971055 540726012 /nfs/dbraw/zinc/72/60/12/540726012.db2.gz JMIJFBYIZVXSID-CJNGLKHVSA-N 1 0 280.371 2.707 50 0 CFAARO [NH3+]Cc1cc(-c2ccc(Br)cc2Cl)n[nH]1 ZINC000135058929 540726622 /nfs/dbraw/zinc/72/66/22/540726622.db2.gz LYNQJHMFTLKWTJ-UHFFFAOYSA-N 1 0 286.560 2.951 50 0 CFAARO C[NH2+]Cc1cc(-c2cc(Br)ccc2F)n[nH]1 ZINC000132191304 540722736 /nfs/dbraw/zinc/72/27/36/540722736.db2.gz SOQYFFNAXNCBOC-UHFFFAOYSA-N 1 0 284.132 2.698 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 ZINC000178545583 189125691 /nfs/dbraw/zinc/12/56/91/189125691.db2.gz YXBRNDKIYNEZFA-YEZKRMTDSA-N 1 0 299.201 2.814 50 0 CFAARO Cc1c(C(=O)N2CC[C@H](C[NH3+])C2)sc2cccc(F)c12 ZINC000178577367 189128165 /nfs/dbraw/zinc/12/81/65/189128165.db2.gz MHBQAQDCJMOPOK-SNVBAGLBSA-N 1 0 292.379 2.770 50 0 CFAARO C/C(=C\C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000178580714 189128682 /nfs/dbraw/zinc/12/86/82/189128682.db2.gz JSPUJQPVLILTPM-OBIHZWKSSA-N 1 0 278.783 2.551 50 0 CFAARO C[C@@H](CO)[NH2+]Cc1cc(COc2ccccc2)cs1 ZINC000670433997 540992412 /nfs/dbraw/zinc/99/24/12/540992412.db2.gz LRIYZVMBXXIPIF-LBPRGKRZSA-N 1 0 277.389 2.798 50 0 CFAARO Cc1cccc(CC[N@@H+](C)CCC2(O)CCCC2)n1 ZINC000670437243 540993697 /nfs/dbraw/zinc/99/36/97/540993697.db2.gz ROTYUSDVUDLSKF-UHFFFAOYSA-N 1 0 262.397 2.560 50 0 CFAARO CS[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000670438243 540994440 /nfs/dbraw/zinc/99/44/40/540994440.db2.gz LWRKHGFJNJITPJ-CYBMUJFWSA-N 1 0 284.469 2.653 50 0 CFAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cn1 ZINC000670443398 540996258 /nfs/dbraw/zinc/99/62/58/540996258.db2.gz SRKIIWXAYUQUBV-CQSZACIVSA-N 1 0 286.379 2.583 50 0 CFAARO CCOc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cn1 ZINC000670443396 540996388 /nfs/dbraw/zinc/99/63/88/540996388.db2.gz SRKIIWXAYUQUBV-AWEZNQCLSA-N 1 0 286.379 2.583 50 0 CFAARO CCOC1CC[NH+]([C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000670458911 541002613 /nfs/dbraw/zinc/00/26/13/541002613.db2.gz UUGJFBUPSSHXQL-MRXNPFEDSA-N 1 0 292.398 2.905 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](Cc1cccc3nonc31)C2 ZINC000670449800 540998784 /nfs/dbraw/zinc/99/87/84/540998784.db2.gz QOUJEJLFBBXCAC-UHFFFAOYSA-N 1 0 295.342 2.790 50 0 CFAARO CCCc1nc(N(C)Cc2cccc(C[NH+](C)C)c2)no1 ZINC000670454443 541000948 /nfs/dbraw/zinc/00/09/48/541000948.db2.gz LMWRUKIEGXGOCR-UHFFFAOYSA-N 1 0 288.395 2.720 50 0 CFAARO C[C@@H](CCn1cccn1)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000670456843 541001426 /nfs/dbraw/zinc/00/14/26/541001426.db2.gz ZRCBIHRFAMXUOR-KRWDZBQOSA-N 1 0 298.434 2.874 50 0 CFAARO C[C@H](CCc1ncnn1-c1cccc(F)c1)[NH+]1CCCC1 ZINC000670461032 541003198 /nfs/dbraw/zinc/00/31/98/541003198.db2.gz KQCYLJHRKOPFKK-CYBMUJFWSA-N 1 0 288.370 2.823 50 0 CFAARO CCC[C@@]1(CO)CCC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC000670465568 541005842 /nfs/dbraw/zinc/00/58/42/541005842.db2.gz IVYPQURGRAPLBG-QGZVFWFLSA-N 1 0 287.407 2.938 50 0 CFAARO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000183795224 189368267 /nfs/dbraw/zinc/36/82/67/189368267.db2.gz XOSUMGNGDIMREY-CHWSQXEVSA-N 1 0 259.353 2.718 50 0 CFAARO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000188449539 189503318 /nfs/dbraw/zinc/50/33/18/189503318.db2.gz MWWHHDZPULCMKS-IAGOWNOFSA-N 1 0 284.407 2.768 50 0 CFAARO OCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000191619008 189601149 /nfs/dbraw/zinc/60/11/49/189601149.db2.gz JNKRBWQQWXERNM-MWLCHTKSSA-N 1 0 288.185 2.683 50 0 CFAARO C[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)CC1CCOCC1 ZINC000216207944 189702033 /nfs/dbraw/zinc/70/20/33/189702033.db2.gz KPJVGNWCOXAZNE-UHFFFAOYSA-N 1 0 291.420 2.997 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000230092432 189805329 /nfs/dbraw/zinc/80/53/29/189805329.db2.gz ZZIMSIYCKBUDFC-XGWLTEMNSA-N 1 0 291.439 2.592 50 0 CFAARO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237080410 189862632 /nfs/dbraw/zinc/86/26/32/189862632.db2.gz CIXNZFVTIDTMET-ABZNLYFFSA-N 1 0 284.359 2.568 50 0 CFAARO Fc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000000172166 371548137 /nfs/dbraw/zinc/54/81/37/371548137.db2.gz UMDZYKCPACDSCF-UHFFFAOYSA-N 1 0 259.280 2.844 50 0 CFAARO CCOc1ccc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000000174810 371549925 /nfs/dbraw/zinc/54/99/25/371549925.db2.gz SECVMSAYDWBWJD-MZBDJJRSSA-N 1 0 289.375 2.867 50 0 CFAARO CC(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000236099 371563705 /nfs/dbraw/zinc/56/37/05/371563705.db2.gz WJCDLIWIODIIKV-UHFFFAOYSA-N 1 0 292.398 2.810 50 0 CFAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2)cc1 ZINC000000267288 371573157 /nfs/dbraw/zinc/57/31/57/371573157.db2.gz DREJPPMSQIJNBY-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO CCOC(=O)C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000000279878 371576238 /nfs/dbraw/zinc/57/62/38/371576238.db2.gz VKDBEGHCCOXYLD-TZMCWYRMSA-N 1 0 253.386 2.840 50 0 CFAARO COc1ccccc1C(=O)O[C@H](C)C[NH+]1CCCCC1 ZINC000000375654 371599096 /nfs/dbraw/zinc/59/90/96/371599096.db2.gz AISGESNXKYSJCM-CYBMUJFWSA-N 1 0 277.364 2.726 50 0 CFAARO CCc1ccc(-c2c[n+]3c(s2)N(C(C)=O)CC3)cc1 ZINC000000392221 371603620 /nfs/dbraw/zinc/60/36/20/371603620.db2.gz SRIGVIWTIYYWSR-UHFFFAOYSA-N 1 0 273.381 2.632 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cccc(Cl)c2)N1 ZINC000001432853 371674584 /nfs/dbraw/zinc/67/45/84/371674584.db2.gz NLQVIGRBRSJTIX-CYBMUJFWSA-N 1 0 297.749 2.977 50 0 CFAARO CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000000564320 371640090 /nfs/dbraw/zinc/64/00/90/371640090.db2.gz YUAKFILGFPHOCL-UHFFFAOYSA-N 1 0 257.337 2.969 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1 ZINC000000806688 371650233 /nfs/dbraw/zinc/65/02/33/371650233.db2.gz SNERFWSYHDYSKC-LLVKDONJSA-N 1 0 250.317 2.639 50 0 CFAARO O=C(C[NH+]1CCCC1)Nc1ccc2ccccc2c1 ZINC000000811931 371650497 /nfs/dbraw/zinc/65/04/97/371650497.db2.gz CUELYOXKXXXOIO-UHFFFAOYSA-N 1 0 254.333 2.874 50 0 CFAARO CC[N@H+](CCCCO)[C@H](C)Cc1ccc(OC)cc1 ZINC000002019205 371713628 /nfs/dbraw/zinc/71/36/28/371713628.db2.gz ZGZAPRVKIAFOPL-CQSZACIVSA-N 1 0 265.397 2.721 50 0 in-vitro CFAARO COc1cc(C)ccc1OCCOCC[NH2+]C1CCCC1 ZINC000002191211 371720663 /nfs/dbraw/zinc/72/06/63/371720663.db2.gz NFQJQXJGKDTMKD-UHFFFAOYSA-N 1 0 293.407 2.931 50 0 CFAARO Cc1cc(NCC[NH+](C)C)n2ncc(-c3ccccc3)c2n1 ZINC000002395333 371725381 /nfs/dbraw/zinc/72/53/81/371725381.db2.gz ONRQZPLWIKKNBV-UHFFFAOYSA-N 1 0 295.390 2.678 50 0 CFAARO CC[C@H](C)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000002451876 371728365 /nfs/dbraw/zinc/72/83/65/371728365.db2.gz PIVHZCFAQJVQOQ-FZMZJTMJSA-N 1 0 271.788 2.606 50 0 CFAARO CCCSc1cc(OC)c(CC[NH3+])cc1OC ZINC000002513913 371731226 /nfs/dbraw/zinc/73/12/26/371731226.db2.gz OLEVEPDJOFPJTF-UHFFFAOYSA-N 1 0 255.383 2.707 50 0 in-man CFAARO COc1ccc([C@H](CNC(=O)c2ccccc2)[NH+](C)C)cc1 ZINC000003323798 371791334 /nfs/dbraw/zinc/79/13/34/371791334.db2.gz CWPTUQHSCDRCGE-KRWDZBQOSA-N 1 0 298.386 2.728 50 0 CFAARO CCc1ccc(OCCOCC[NH+]2CCCC2)cc1 ZINC000002895214 371762862 /nfs/dbraw/zinc/76/28/62/371762862.db2.gz CJFHKFMKRGYXOL-UHFFFAOYSA-N 1 0 263.381 2.740 50 0 CFAARO CCc1ccc(OCCCCCC[NH2+]CCO)cc1 ZINC000002897993 371763497 /nfs/dbraw/zinc/76/34/97/371763497.db2.gz BPECKOXNRZHSLV-UHFFFAOYSA-N 1 0 265.397 2.770 50 0 CFAARO CCCC[NH2+]CCOCCOc1cccc(OCC)c1 ZINC000003003276 371768732 /nfs/dbraw/zinc/76/87/32/371768732.db2.gz KFQHRLWYGHZLIX-UHFFFAOYSA-N 1 0 281.396 2.870 50 0 CFAARO Cc1cccc(NC(=S)N(C)C2CC[NH+](C)CC2)c1 ZINC000003260637 371784477 /nfs/dbraw/zinc/78/44/77/371784477.db2.gz HATRVLLZWVNUJS-UHFFFAOYSA-N 1 0 277.437 2.718 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C)c1 ZINC000003293201 371789496 /nfs/dbraw/zinc/78/94/96/371789496.db2.gz XPYXYWOAXWTHEN-CQSZACIVSA-N 1 0 277.437 2.766 50 0 CFAARO COC[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000003440326 371800205 /nfs/dbraw/zinc/80/02/05/371800205.db2.gz MYJQWHCBMZTOOS-CHWSQXEVSA-N 1 0 292.423 2.936 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000004005573 371827600 /nfs/dbraw/zinc/82/76/00/371827600.db2.gz ZGDSPWUIOQPUMI-UHFFFAOYSA-N 1 0 290.451 2.805 50 0 CFAARO COC(=O)[C@H]1CC[NH2+][C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000004237809 371843794 /nfs/dbraw/zinc/84/37/94/371843794.db2.gz LBFZVPWKURKLJQ-GZMMTYOYSA-N 1 0 274.147 2.817 50 0 CFAARO O=C(NCC[NH2+]Cc1cccc(Cl)c1)c1cccs1 ZINC000004498091 371859728 /nfs/dbraw/zinc/85/97/28/371859728.db2.gz OUDSFDMRSUSJMD-UHFFFAOYSA-N 1 0 294.807 2.921 50 0 CFAARO CCOC(=O)C1=C(C)N(Cc2ccccc2)C(C)=[NH+]C1 ZINC000004671488 371871844 /nfs/dbraw/zinc/87/18/44/371871844.db2.gz ZPDOYFJYQWXCJC-UHFFFAOYSA-N 1 0 272.348 2.758 50 0 CFAARO CC(C)c1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004680819 371874223 /nfs/dbraw/zinc/87/42/23/371874223.db2.gz ABMAMMUETRRKSL-UHFFFAOYSA-N 1 0 260.381 2.507 50 0 CFAARO CC[C@@H]1C[N@H+](C)CC[C@]1(OC(C)=O)c1ccccc1 ZINC000005008138 371877296 /nfs/dbraw/zinc/87/72/96/371877296.db2.gz LOWQPSFXEWFNSB-GDBMZVCRSA-N 1 0 261.365 2.807 50 0 CFAARO CC(=O)N(CC[NH+](C)C)c1nc2c(cc(C)cc2C)s1 ZINC000005121578 371879699 /nfs/dbraw/zinc/87/96/99/371879699.db2.gz RRZXTWNHJLDTDF-UHFFFAOYSA-N 1 0 291.420 2.828 50 0 CFAARO C1=CC[C@H]([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)CC1 ZINC000004124617 371836426 /nfs/dbraw/zinc/83/64/26/371836426.db2.gz NENUGJWNMCYKJE-SOUVJXGZSA-N 1 0 251.370 2.570 50 0 CFAARO CC[N@@H+]1CCC[C@@H](OC(=O)NC2CCCCC2)C1 ZINC000004184256 371839757 /nfs/dbraw/zinc/83/97/57/371839757.db2.gz IGLNKJQEANOIGR-CYBMUJFWSA-N 1 0 254.374 2.530 50 0 CFAARO CC(C)=CCC/C(C)=C/C[NH+](C[C@@H](C)O)C[C@@H](C)O ZINC000004197818 371840588 /nfs/dbraw/zinc/84/05/88/371840588.db2.gz RZZINQFSDGIYIW-BNSCMJDNSA-N 1 0 269.429 2.743 50 0 CFAARO CC[N@@H+]1CCC[C@H](OC(=O)NC2CCCCC2)C1 ZINC000004184253 371840887 /nfs/dbraw/zinc/84/08/87/371840887.db2.gz IGLNKJQEANOIGR-ZDUSSCGKSA-N 1 0 254.374 2.530 50 0 CFAARO CC[NH2+]CC[C@H]1CCC(=O)N1[C@H](C)c1ccc(OC)cc1 ZINC000011871515 371934539 /nfs/dbraw/zinc/93/45/39/371934539.db2.gz ACXQHNFDJRIACK-UKRRQHHQSA-N 1 0 290.407 2.747 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000009662010 371900336 /nfs/dbraw/zinc/90/03/36/371900336.db2.gz YQOVOYVJMBRRQX-XHSDSOJGSA-N 1 0 277.408 2.713 50 0 CFAARO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000010434838 371907579 /nfs/dbraw/zinc/90/75/79/371907579.db2.gz KSIMRCJXVNOUTP-OLMNPRSZSA-N 1 0 289.419 2.611 50 0 CFAARO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCCC1 ZINC000010434611 371907994 /nfs/dbraw/zinc/90/79/94/371907994.db2.gz AJPRSTUEGVYRIV-AWDGRILASA-N 1 0 293.451 2.819 50 0 CFAARO CC[NH+](CC)CCCC[C@H](C(N)=O)c1ccccc1 ZINC000012411614 371960081 /nfs/dbraw/zinc/96/00/81/371960081.db2.gz YCRITHOZOPVWKM-HNNXBMFYSA-N 1 0 262.397 2.768 50 0 CFAARO CCc1nc2c(c(C)c(C)n2CC[NH+](C)C)c(N)c1C ZINC000012407395 371961214 /nfs/dbraw/zinc/96/12/14/371961214.db2.gz OCJOJBPBFDAASQ-UHFFFAOYSA-N 1 0 274.412 2.668 50 0 CFAARO CCn1ncc(C[NH2+]CCc2cccc(OC)c2)c1C ZINC000012398122 371961388 /nfs/dbraw/zinc/96/13/88/371961388.db2.gz HGMSQVLJXFVSAH-UHFFFAOYSA-N 1 0 273.380 2.552 50 0 CFAARO CCC[NH2+]CC[C@@H]1CCC(=O)N1C1Cc2ccccc2C1 ZINC000012453283 371964596 /nfs/dbraw/zinc/96/45/96/371964596.db2.gz RTVFNAIYFXFHNN-INIZCTEOSA-N 1 0 286.419 2.535 50 0 CFAARO CCCC[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000012938309 372001896 /nfs/dbraw/zinc/00/18/96/372001896.db2.gz VTBZTETWBHNJOO-GFCCVEGCSA-N 1 0 294.395 2.721 50 0 CFAARO C[NH+](C)C[C@@H](NC(=O)c1ccsc1)c1ccccc1 ZINC000012730608 371982781 /nfs/dbraw/zinc/98/27/81/371982781.db2.gz FPHPSJSBMFPPHZ-CQSZACIVSA-N 1 0 274.389 2.781 50 0 CFAARO C[C@H](NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccs1 ZINC000012787189 371986883 /nfs/dbraw/zinc/98/68/83/371986883.db2.gz YRHUUZVOZRYUGB-XQQFMLRXSA-N 1 0 280.437 2.903 50 0 CFAARO CCc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000012882052 371993668 /nfs/dbraw/zinc/99/36/68/371993668.db2.gz MFJHWSGGACIUQY-ZBFHGGJFSA-N 1 0 277.408 2.721 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000012139858 371946255 /nfs/dbraw/zinc/94/62/55/371946255.db2.gz CRZVQVZEELAJAD-RHSMWYFYSA-N 1 0 289.419 2.789 50 0 CFAARO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+](C)C)cc1 ZINC000012223528 371948277 /nfs/dbraw/zinc/94/82/77/371948277.db2.gz ATOOTUTXXSKTOR-CQSZACIVSA-N 1 0 263.385 2.703 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]2CO)cc1C ZINC000012317666 371950778 /nfs/dbraw/zinc/95/07/78/371950778.db2.gz RZNQXRKQXCDPRL-INIZCTEOSA-N 1 0 285.391 2.650 50 0 CFAARO O=C(c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013154411 372018061 /nfs/dbraw/zinc/01/80/61/372018061.db2.gz GZVLNSKPUMFTFP-UHFFFAOYSA-N 1 0 272.392 2.777 50 0 CFAARO C[NH+](C)CCNC(=O)c1cc2c(ccc3ccccc23)o1 ZINC000013668568 372039594 /nfs/dbraw/zinc/03/95/94/372039594.db2.gz PHVINPXYMLNDTP-UHFFFAOYSA-N 1 0 282.343 2.877 50 0 CFAARO CNC(=S)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000013732221 372046084 /nfs/dbraw/zinc/04/60/84/372046084.db2.gz OVGSCNHNTDJNQN-CQSZACIVSA-N 1 0 283.485 2.611 50 0 CFAARO OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1O ZINC000014007968 372056985 /nfs/dbraw/zinc/05/69/85/372056985.db2.gz JPLSIBRFAFEEDC-RDJZCZTQSA-N 1 0 283.371 2.600 50 0 CFAARO C[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000016605073 372112901 /nfs/dbraw/zinc/11/29/01/372112901.db2.gz MNJQGGOLSXVNSG-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO Cc1ccccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016604451 372113612 /nfs/dbraw/zinc/11/36/12/372113612.db2.gz JDMCTNAGFRWUFM-UHFFFAOYSA-N 1 0 260.381 2.598 50 0 CFAARO CCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016606683 372113626 /nfs/dbraw/zinc/11/36/26/372113626.db2.gz JAVTUWWBUHAWDY-UHFFFAOYSA-N 1 0 280.799 2.688 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccccc1 ZINC000014194710 372064791 /nfs/dbraw/zinc/06/47/91/372064791.db2.gz LJBOGAMUOAVIJC-CQSZACIVSA-N 1 0 260.381 2.740 50 0 CFAARO Cc1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000014631853 372072264 /nfs/dbraw/zinc/07/22/64/372072264.db2.gz WEMGTNQNEPZEEF-NSHDSACASA-N 1 0 270.170 2.888 50 0 CFAARO CC(C)(C)c1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000019280998 372154900 /nfs/dbraw/zinc/15/49/00/372154900.db2.gz WLXCBZJAZCSTCK-ZDUSSCGKSA-N 1 0 274.408 2.714 50 0 CFAARO Oc1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019537365 372174020 /nfs/dbraw/zinc/17/40/20/372174020.db2.gz WMAGEFBUJAVGMR-UHFFFAOYSA-N 1 0 282.387 2.710 50 0 CFAARO CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100518 372230870 /nfs/dbraw/zinc/23/08/70/372230870.db2.gz TWYDMIKGGAQALQ-UHFFFAOYSA-N 1 0 292.398 2.952 50 0 CFAARO CC(C)(C)c1cc(Cl)ccc1OCCC[NH2+]CCN ZINC000020118581 372233000 /nfs/dbraw/zinc/23/30/00/372233000.db2.gz PFPMWHTUZAPYDW-UHFFFAOYSA-N 1 0 284.831 2.955 50 0 CFAARO C[NH+]1CCC(Nc2ccc(Br)cc2)CC1 ZINC000019772266 372184916 /nfs/dbraw/zinc/18/49/16/372184916.db2.gz DEKGLRDTPBZZBL-UHFFFAOYSA-N 1 0 269.186 2.955 50 0 CFAARO C[NH2+]Cc1cc(Br)c(OC(C)C)c(OC)c1 ZINC000019776952 372186020 /nfs/dbraw/zinc/18/60/20/372186020.db2.gz ORMGNVRIMMMWDF-UHFFFAOYSA-N 1 0 288.185 2.964 50 0 CFAARO Cc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019850799 372200595 /nfs/dbraw/zinc/20/05/95/372200595.db2.gz LRAIVZSSYJVWOC-GOSISDBHSA-N 1 0 266.388 2.990 50 0 CFAARO c1ccc(COC[C@H]2CN(Cc3ccccc3)CC[NH2+]2)cc1 ZINC000019851325 372200666 /nfs/dbraw/zinc/20/06/66/372200666.db2.gz RDGPQHCJHZWORQ-LJQANCHMSA-N 1 0 296.414 2.677 50 0 CFAARO C[C@H]1C[NH+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000019853738 372200912 /nfs/dbraw/zinc/20/09/12/372200912.db2.gz VDYXTVZTXYQWHW-RYUDHWBXSA-N 1 0 296.798 2.778 50 0 CFAARO Cc1ccc(C)c(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000019888925 372204387 /nfs/dbraw/zinc/20/43/87/372204387.db2.gz YBAXGSAADMRPKZ-HUUCEWRRSA-N 1 0 290.407 2.741 50 0 CFAARO c1cncc(CN2CC[NH+](C3CCCCC3)CC2)c1 ZINC000019889600 372204471 /nfs/dbraw/zinc/20/44/71/372204471.db2.gz HHFXINLSAXEKJH-UHFFFAOYSA-N 1 0 259.397 2.532 50 0 CFAARO C=C1c2ccccc2NC(=O)N1C[C@H]1CCC[N@H+]1CC ZINC000025062551 372289243 /nfs/dbraw/zinc/28/92/43/372289243.db2.gz OGSVSUAQJTYSCF-CYBMUJFWSA-N 1 0 271.364 2.989 50 0 CFAARO ClC1=CC[C@@H]2C[N@H+](CCN3CCCCC3)C[C@H]2C1 ZINC000022456132 372246053 /nfs/dbraw/zinc/24/60/53/372246053.db2.gz VBAVWASTSFNHBO-ZIAGYGMSSA-N 1 0 268.832 2.937 50 0 CFAARO C[NH+]1CCC(CNC(=O)c2cccc3ccccc32)CC1 ZINC000023013728 372250809 /nfs/dbraw/zinc/25/08/09/372250809.db2.gz ANGGIOXIYMFISG-UHFFFAOYSA-N 1 0 282.387 2.911 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023280117 372255896 /nfs/dbraw/zinc/25/58/96/372255896.db2.gz BYUQNZUEIVXXEE-UPJWGTAASA-N 1 0 251.345 2.866 50 0 CFAARO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000023281285 372256036 /nfs/dbraw/zinc/25/60/36/372256036.db2.gz QEMBANSDAFYAQF-AWEZNQCLSA-N 1 0 298.386 2.546 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023280112 372257067 /nfs/dbraw/zinc/25/70/67/372257067.db2.gz BYUQNZUEIVXXEE-RWMBFGLXSA-N 1 0 251.345 2.866 50 0 CFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccccc1F)C2 ZINC000023366988 372257931 /nfs/dbraw/zinc/25/79/31/372257931.db2.gz KJQDRZAKGHNTOM-CQSZACIVSA-N 1 0 287.334 2.928 50 0 CFAARO Cc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)c(C)c1 ZINC000023471810 372260460 /nfs/dbraw/zinc/26/04/60/372260460.db2.gz RUNNMQWVTBLAMJ-NVXWUHKLSA-N 1 0 258.409 2.972 50 0 CFAARO Cc1cc(N2CC[NH+](C)CC2)nc2cc(Cl)ccc12 ZINC000023634770 372262902 /nfs/dbraw/zinc/26/29/02/372262902.db2.gz UAHZDVZVUKETCO-UHFFFAOYSA-N 1 0 275.783 2.948 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000025420250 372301211 /nfs/dbraw/zinc/30/12/11/372301211.db2.gz HNWMEYRANUDLRA-CVEARBPZSA-N 1 0 272.392 2.762 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC=CCC1 ZINC000024084219 372270931 /nfs/dbraw/zinc/27/09/31/372270931.db2.gz BGCDGUTXHUVZDU-CQSZACIVSA-N 1 0 272.392 2.721 50 0 CFAARO Cc1cc(C)nc(NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000024053557 372271488 /nfs/dbraw/zinc/27/14/88/372271488.db2.gz WNPMAKCCBQRTOY-LBPRGKRZSA-N 1 0 276.409 2.870 50 0 CFAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccnc1 ZINC000024115144 372272357 /nfs/dbraw/zinc/27/23/57/372272357.db2.gz KMZWOUQAXTXQHC-UHFFFAOYSA-N 1 0 295.386 2.607 50 0 CFAARO C[C@@H](CNC(=O)[C@@H]1CC=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025632474 372305282 /nfs/dbraw/zinc/30/52/82/372305282.db2.gz QLKATBRDSZLUFA-DOTOQJQBSA-N 1 0 298.430 2.906 50 0 CFAARO CCC[NH+](CCC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000026152503 372314021 /nfs/dbraw/zinc/31/40/21/372314021.db2.gz ICDLQIQONROJHQ-UHFFFAOYSA-N 1 0 259.353 2.545 50 0 CFAARO c1csc(-c2nnc([C@H]3CCC[NH2+]C3)s2)c1 ZINC000026424294 372319931 /nfs/dbraw/zinc/31/99/31/372319931.db2.gz XSMUCURBBUOSLP-QMMMGPOBSA-N 1 0 251.380 2.734 50 0 CFAARO O=C(NCc1cccnc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000027979770 372354784 /nfs/dbraw/zinc/35/47/84/372354784.db2.gz YPGZHNMMSGRMNN-UHFFFAOYSA-N 1 0 299.374 2.591 50 0 CFAARO CCN1C[C@@H](C[N@H+](C)C[C@@H](C)c2ccccc2)CC1=O ZINC000032581006 372446326 /nfs/dbraw/zinc/44/63/26/372446326.db2.gz LYWFJQXOQYQPTH-HUUCEWRRSA-N 1 0 274.408 2.590 50 0 CFAARO C[NH+]1CCC(Oc2ccccc2NC[C@H]2CCOC2)CC1 ZINC000032597991 372447612 /nfs/dbraw/zinc/44/76/12/372447612.db2.gz XWBXMICAXIHWJP-CQSZACIVSA-N 1 0 290.407 2.608 50 0 CFAARO C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000032611229 372450581 /nfs/dbraw/zinc/45/05/81/372450581.db2.gz IBIODXRBIPGNBP-RDJZCZTQSA-N 1 0 286.419 2.910 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccsc1)c1cccc(F)c1 ZINC000032729071 372457619 /nfs/dbraw/zinc/45/76/19/372457619.db2.gz MPYWSWQCSFFAML-CQSZACIVSA-N 1 0 292.379 2.920 50 0 CFAARO Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+]C(C)(C)C ZINC000032753225 372458916 /nfs/dbraw/zinc/45/89/16/372458916.db2.gz GVSDJEYKCBLTAM-UHFFFAOYSA-N 1 0 289.423 2.922 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)Cc1ccccc1 ZINC000032744906 372459537 /nfs/dbraw/zinc/45/95/37/372459537.db2.gz XISDNXHJMDYMRK-UHFFFAOYSA-N 1 0 282.387 2.607 50 0 CFAARO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000032870879 372470409 /nfs/dbraw/zinc/47/04/09/372470409.db2.gz GWMHXVCEYOXNMH-AWEZNQCLSA-N 1 0 283.375 2.894 50 0 CFAARO C[N@H+](CCNC(=O)c1cc2ccccn2c1)C1CCCCC1 ZINC000033138746 372484505 /nfs/dbraw/zinc/48/45/05/372484505.db2.gz VYROUTSZYSGYHD-UHFFFAOYSA-N 1 0 299.418 2.934 50 0 CFAARO Brc1cccc(C[NH2+]CCCn2ccnc2)c1 ZINC000034778549 372514238 /nfs/dbraw/zinc/51/42/38/372514238.db2.gz ZPJHYCJWBVKEEF-UHFFFAOYSA-N 1 0 294.196 2.826 50 0 CFAARO Cc1ccc(C(=O)NC2CCCC2)c(C2CC[NH2+]CC2)n1 ZINC000034723513 372514957 /nfs/dbraw/zinc/51/49/57/372514957.db2.gz REQZHIOFLQJIMV-UHFFFAOYSA-N 1 0 287.407 2.529 50 0 CFAARO CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000034996083 372527046 /nfs/dbraw/zinc/52/70/46/372527046.db2.gz LCBWUIXCEQKQKD-CYBMUJFWSA-N 1 0 260.381 2.657 50 0 CFAARO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)CC ZINC000036095251 372558209 /nfs/dbraw/zinc/55/82/09/372558209.db2.gz ZMHWVCSPNJNJAA-AWEZNQCLSA-N 1 0 251.370 2.678 50 0 CFAARO NNc1[nH+]nc(-c2ccc(F)cc2)c2ccccc21 ZINC000036293722 372570019 /nfs/dbraw/zinc/57/00/19/372570019.db2.gz IBXDLBXKIXWOMK-UHFFFAOYSA-N 1 0 254.268 2.722 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1c(C)nc2sc(C)cn12 ZINC000036820533 372599619 /nfs/dbraw/zinc/59/96/19/372599619.db2.gz CMGIJEVAXIBGMO-ZDUSSCGKSA-N 1 0 292.452 2.587 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000036901564 372608573 /nfs/dbraw/zinc/60/85/73/372608573.db2.gz DPKYPWJMZHMYFJ-KRWDZBQOSA-N 1 0 284.407 2.645 50 0 CFAARO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(C)sc1C ZINC000037002194 372624541 /nfs/dbraw/zinc/62/45/41/372624541.db2.gz COSDZQKJZSTTGD-SKDRFNHKSA-N 1 0 254.399 2.670 50 0 CFAARO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000037020913 372634988 /nfs/dbraw/zinc/63/49/88/372634988.db2.gz VXYGDOHMIGHOGC-SFYZADRCSA-N 1 0 260.790 2.706 50 0 CFAARO COc1ccc(F)cc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000037089738 372647276 /nfs/dbraw/zinc/64/72/76/372647276.db2.gz PLEAWPZYQXMBFZ-NSHDSACASA-N 1 0 266.360 2.579 50 0 CFAARO CN(Cc1ccccc1Cl)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000037798655 372713217 /nfs/dbraw/zinc/71/32/17/372713217.db2.gz VBWAJINGEBCFCY-OAHLLOKOSA-N 1 0 288.778 2.998 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000041028687 372804250 /nfs/dbraw/zinc/80/42/50/372804250.db2.gz NLEVRLDGJFDTPV-VIFPVBQESA-N 1 0 273.163 2.557 50 0 CFAARO C[NH+](C)C1(CNC(=O)CCc2ccccc2F)CCCC1 ZINC000042763322 372952441 /nfs/dbraw/zinc/95/24/41/372952441.db2.gz NEHYQQDNUFJBKJ-UHFFFAOYSA-N 1 0 292.398 2.749 50 0 CFAARO COCC[N@H+](Cc1ccc(F)c2cccnc12)C1CC1 ZINC000044975468 373012242 /nfs/dbraw/zinc/01/22/42/373012242.db2.gz GVJNTFMWJSJFPM-UHFFFAOYSA-N 1 0 274.339 2.985 50 0 CFAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc2c(c1)CCCC2 ZINC000048275301 373158242 /nfs/dbraw/zinc/15/82/42/373158242.db2.gz GMIUUGBXDSNFRF-CQSZACIVSA-N 1 0 298.430 2.780 50 0 CFAARO c1ccc2oc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000048336911 373165194 /nfs/dbraw/zinc/16/51/94/373165194.db2.gz IHURGJULAVSZMF-DGCLKSJQSA-N 1 0 257.337 2.867 50 0 CFAARO O[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000051999262 373429335 /nfs/dbraw/zinc/42/93/35/373429335.db2.gz ZSTFUORUQQNTBB-OCCSQVGLSA-N 1 0 289.404 2.598 50 0 CFAARO O[C@H]1CCC[N@H+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000051203926 373389517 /nfs/dbraw/zinc/38/95/17/373389517.db2.gz VSIPJRKEEBBXHO-LBPRGKRZSA-N 1 0 276.767 2.845 50 0 CFAARO COc1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1OC ZINC000052172281 373439259 /nfs/dbraw/zinc/43/92/59/373439259.db2.gz WXBBNRHYQKRAJY-LBPRGKRZSA-N 1 0 279.380 2.781 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000053202154 373469743 /nfs/dbraw/zinc/46/97/43/373469743.db2.gz NSFGZFJHOBNLIP-VIFPVBQESA-N 1 0 287.190 2.817 50 0 CFAARO CC(C)c1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000054148076 373499915 /nfs/dbraw/zinc/49/99/15/373499915.db2.gz WTPPMMIXECTQFZ-UHFFFAOYSA-N 1 0 288.435 2.953 50 0 CFAARO c1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000057353422 373589772 /nfs/dbraw/zinc/58/97/72/373589772.db2.gz AJTQHFGJMFZCJI-UHFFFAOYSA-N 1 0 251.333 2.895 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1ccc2ccccc21 ZINC000055208665 373544058 /nfs/dbraw/zinc/54/40/58/373544058.db2.gz PYZQDWAOWWHKFK-MRXNPFEDSA-N 1 0 299.418 2.632 50 0 CFAARO C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccco1 ZINC000055166163 373544869 /nfs/dbraw/zinc/54/48/69/373544869.db2.gz GPIAKSDQGFWDLD-UHFFFAOYSA-N 1 0 278.377 2.545 50 0 CFAARO Cc1ccc(OCC[N@@H+](C)Cc2ccc(CO)o2)c(C)c1 ZINC000055211980 373546515 /nfs/dbraw/zinc/54/65/15/373546515.db2.gz XDYXDLSVRASUDJ-UHFFFAOYSA-N 1 0 289.375 2.900 50 0 CFAARO C[C@@H]1CCC[C@](CNC(=O)Nc2cccnc2)([NH+](C)C)C1 ZINC000058055746 373625302 /nfs/dbraw/zinc/62/53/02/373625302.db2.gz SIJGSXDRQNKOMV-CJNGLKHVSA-N 1 0 290.411 2.714 50 0 CFAARO C[NH+](C)C[C@@H](NC(=O)CC1CCCC1)c1ccccc1 ZINC000058174139 373629819 /nfs/dbraw/zinc/62/98/19/373629819.db2.gz GQDBTTXXACZIFL-MRXNPFEDSA-N 1 0 274.408 2.986 50 0 CFAARO CCn1c(C[NH2+]CC2(O)CCCCC2)nc2ccccc21 ZINC000058163175 373630194 /nfs/dbraw/zinc/63/01/94/373630194.db2.gz BSDIIQULRPGPQG-UHFFFAOYSA-N 1 0 287.407 2.841 50 0 CFAARO Cc1ccc(C)c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000058283264 373640111 /nfs/dbraw/zinc/64/01/11/373640111.db2.gz POGFOPIFLSURNG-UHFFFAOYSA-N 1 0 274.408 2.604 50 0 CFAARO O=C(Nc1ccccc1F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000058310682 373644779 /nfs/dbraw/zinc/64/47/79/373644779.db2.gz AUTAHHDYAYDJGM-GFCCVEGCSA-N 1 0 277.343 2.528 50 0 CFAARO CCC[NH+]1CCC(CNC(=O)c2ccccc2C)CC1 ZINC000058440392 373658712 /nfs/dbraw/zinc/65/87/12/373658712.db2.gz HMGWTVJFQRXZFE-UHFFFAOYSA-N 1 0 274.408 2.847 50 0 CFAARO Oc1ccc(N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000057830373 373614499 /nfs/dbraw/zinc/61/44/99/373614499.db2.gz LDMZMPHXJWYHKZ-UHFFFAOYSA-N 1 0 298.386 2.593 50 0 CFAARO CN(C)C(=O)CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000060041729 373689003 /nfs/dbraw/zinc/68/90/03/373689003.db2.gz QQQBOHREVDQBCZ-UHFFFAOYSA-N 1 0 274.408 2.767 50 0 CFAARO Cn1c2ccc(Br)cc2c2c1CC[NH2+]C2 ZINC000062540170 373761822 /nfs/dbraw/zinc/76/18/22/373761822.db2.gz TUYSRUXQZQDUNC-UHFFFAOYSA-N 1 0 265.154 2.587 50 0 CFAARO C[NH2+]CC1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000063159620 373788671 /nfs/dbraw/zinc/78/86/71/373788671.db2.gz WITNRBCEICNOAL-UHFFFAOYSA-N 1 0 284.762 2.551 50 0 CFAARO C[N@H+](CCC[C@H]1CCCO1)Cc1ccc2c(c1)OCCO2 ZINC000065492664 373879903 /nfs/dbraw/zinc/87/99/03/373879903.db2.gz TZOPVDZVVLLTCH-HNNXBMFYSA-N 1 0 291.391 2.849 50 0 CFAARO O[C@]12CCCC[C@H]1C[N@H+](Cc1cccc3c1OCO3)CC2 ZINC000065528749 373882413 /nfs/dbraw/zinc/88/24/13/373882413.db2.gz ASFQNGMXMGVHDQ-YOEHRIQHSA-N 1 0 289.375 2.542 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000065512372 373883163 /nfs/dbraw/zinc/88/31/63/373883163.db2.gz DEPYWNBOZZUTRG-AWEZNQCLSA-N 1 0 279.771 2.503 50 0 CFAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000065541187 373885168 /nfs/dbraw/zinc/88/51/68/373885168.db2.gz UZBYHYUNHZQZFA-KRWDZBQOSA-N 1 0 297.402 2.644 50 0 CFAARO O=C1CCCN1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065393732 373863165 /nfs/dbraw/zinc/86/31/65/373863165.db2.gz DUHZSUYMXZBYSH-MRXNPFEDSA-N 1 0 272.392 2.521 50 0 CFAARO C[C@H](Cc1ccccn1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000065395417 373863569 /nfs/dbraw/zinc/86/35/69/373863569.db2.gz SIZUKBPZUGRNPC-CQSZACIVSA-N 1 0 298.386 2.916 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1C ZINC000065396963 373866287 /nfs/dbraw/zinc/86/62/87/373866287.db2.gz JOMMRXFHGSTTFT-GFCCVEGCSA-N 1 0 296.386 2.866 50 0 CFAARO CCCc1cc(NC[C@]2([NH+](C)C)CCSC2)nc(C)n1 ZINC000065398455 373866430 /nfs/dbraw/zinc/86/64/30/373866430.db2.gz RQGPZMNCTNGHLC-OAHLLOKOSA-N 1 0 294.468 2.587 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@H](C)COc1ccccc1 ZINC000065396601 373867212 /nfs/dbraw/zinc/86/72/12/373867212.db2.gz WRNMNIFYNHVZEZ-NSHDSACASA-N 1 0 260.337 2.849 50 0 CFAARO Cn1ccnc1C[N@H+](C[C@H]1CCOC(C)(C)C1)C1CC1 ZINC000065433090 373870682 /nfs/dbraw/zinc/87/06/82/373870682.db2.gz STJQVIXNGIGYBC-ZDUSSCGKSA-N 1 0 277.412 2.590 50 0 CFAARO C[C@@H](CCc1ccccc1)[NH2+]CCSc1nc[nH]n1 ZINC000065434466 373872197 /nfs/dbraw/zinc/87/21/97/373872197.db2.gz FIQOFWGSFCHGBS-LBPRGKRZSA-N 1 0 276.409 2.508 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2CO)o1 ZINC000065474981 373877107 /nfs/dbraw/zinc/87/71/07/373877107.db2.gz DRYLKHVZQZTYIT-UHFFFAOYSA-N 1 0 297.358 2.760 50 0 CFAARO COC(=O)c1cccn1C1CC[NH+](Cc2cccnc2)CC1 ZINC000065477457 373877770 /nfs/dbraw/zinc/87/77/70/373877770.db2.gz ZUUFZEJUCXNINP-UHFFFAOYSA-N 1 0 299.374 2.507 50 0 CFAARO Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CCCCC2)no1 ZINC000065983605 373906845 /nfs/dbraw/zinc/90/68/45/373906845.db2.gz CBSDXYUYHDNQGI-UHFFFAOYSA-N 1 0 294.399 2.711 50 0 CFAARO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CCCC1 ZINC000066318085 373923591 /nfs/dbraw/zinc/92/35/91/373923591.db2.gz LNIGAKZKQMKDNP-HZPDHXFCSA-N 1 0 286.419 2.781 50 0 CFAARO CC(C)CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000066407008 373930349 /nfs/dbraw/zinc/93/03/49/373930349.db2.gz NNARRNMSMRZNPJ-AWEZNQCLSA-N 1 0 254.418 2.659 50 0 CFAARO Cc1oc(-c2cccc(C)c2)nc1C[N@@H+]1CCC[C@H]1CO ZINC000067787997 374002152 /nfs/dbraw/zinc/00/21/52/374002152.db2.gz QJNWZVJFTRVNJP-HNNXBMFYSA-N 1 0 286.375 2.915 50 0 CFAARO Cc1cc(C(=O)N2CC[N@@H+](C(C)C)[C@@H](C)C2)ccc1F ZINC000067817666 374004944 /nfs/dbraw/zinc/00/49/44/374004944.db2.gz DQOQXFZMIRVFSL-ZDUSSCGKSA-N 1 0 278.371 2.689 50 0 CFAARO Cc1c2cc(C)ccc2[nH]c1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000067854942 374008456 /nfs/dbraw/zinc/00/84/56/374008456.db2.gz IYPSFBMEUPHEBT-INIZCTEOSA-N 1 0 297.402 2.609 50 0 CFAARO c1nn2cc(C[NH+]3CCCC3)cnc2c1-c1ccccc1 ZINC000067855009 374008882 /nfs/dbraw/zinc/00/88/82/374008882.db2.gz ADMBXFOVSBRFGE-UHFFFAOYSA-N 1 0 278.359 2.992 50 0 CFAARO CC(=O)Nc1cccc(-c2ccc3c(c2)C[NH2+]CC3)c1 ZINC000067855292 374011423 /nfs/dbraw/zinc/01/14/23/374011423.db2.gz DEGXONQMSAYAJX-UHFFFAOYSA-N 1 0 266.344 2.958 50 0 CFAARO COCc1cc(C[NH2+][C@@H]2CCCC(C)(C)C2)[nH]n1 ZINC000067935098 374015507 /nfs/dbraw/zinc/01/55/07/374015507.db2.gz BAMQQDUEWBPRNB-LLVKDONJSA-N 1 0 251.374 2.615 50 0 CFAARO CCc1cnc(C)nc1N[C@@H](C)c1c(C)n[nH]c1C ZINC000067447194 373979498 /nfs/dbraw/zinc/97/94/98/373979498.db2.gz RPDSJUUHHFNSCK-QMMMGPOBSA-N 1 0 259.357 2.860 50 0 CFAARO [NH3+]C[C@H]1Cc2c(ccc3cc(-c4cnccn4)ccc23)O1 ZINC000067514810 373980888 /nfs/dbraw/zinc/98/08/88/373980888.db2.gz VZDHDXOTUDNVSJ-CYBMUJFWSA-N 1 0 277.327 2.559 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CCNC(=O)c2ncoc2C(C)C)C1 ZINC000067491227 373982048 /nfs/dbraw/zinc/98/20/48/373982048.db2.gz LZGQOKNYVQVKGX-ZDUSSCGKSA-N 1 0 293.411 2.650 50 0 CFAARO CCNc1ncc(C[NH+]2CCC(c3ccncc3)CC2)cn1 ZINC000067675679 373991998 /nfs/dbraw/zinc/99/19/98/373991998.db2.gz BYDPDTBTUZOJLB-UHFFFAOYSA-N 1 0 297.406 2.683 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000069600198 374078598 /nfs/dbraw/zinc/07/85/98/374078598.db2.gz JEDLBLQHYQCWCQ-OAHLLOKOSA-N 1 0 295.390 2.556 50 0 CFAARO Cc1ccc([C@H](C)[N@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000069597299 374079464 /nfs/dbraw/zinc/07/94/64/374079464.db2.gz LEBYHMRFHRPOSR-HNNXBMFYSA-N 1 0 297.402 2.699 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000069368662 374055707 /nfs/dbraw/zinc/05/57/07/374055707.db2.gz WQQSMKWRAMPAMJ-ZDUSSCGKSA-N 1 0 282.347 2.716 50 0 CFAARO Clc1ccc(OCCN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000069370016 374057568 /nfs/dbraw/zinc/05/75/68/374057568.db2.gz NZZXDNKKRSQUGE-OAHLLOKOSA-N 1 0 294.826 2.889 50 0 CFAARO COc1cccc(-c2noc(C[N@H+](C)[C@@H](C)C3CC3)n2)c1 ZINC000069415195 374059508 /nfs/dbraw/zinc/05/95/08/374059508.db2.gz RWNMHLDGHNNVTE-NSHDSACASA-N 1 0 287.363 2.976 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000069490048 374067627 /nfs/dbraw/zinc/06/76/27/374067627.db2.gz BPXLILJPJKGVNN-OAHLLOKOSA-N 1 0 295.390 2.556 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000069489677 374068344 /nfs/dbraw/zinc/06/83/44/374068344.db2.gz KPZKKQMSCCAWDR-SJORKVTESA-N 1 0 297.402 2.867 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069491692 374068561 /nfs/dbraw/zinc/06/85/61/374068561.db2.gz BTNVJXOYUPKCPZ-GJZGRUSLSA-N 1 0 276.355 2.525 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@@H](C)[C@H](C)n2cc(C)cn2)c1C ZINC000069511624 374070659 /nfs/dbraw/zinc/07/06/59/374070659.db2.gz JRGJRRPPLOPTEZ-JSGCOSHPSA-N 1 0 289.427 2.764 50 0 CFAARO Fc1ccc([C@@H]([NH2+]CCCn2cncn2)C2CCC2)cc1 ZINC000069950127 374111980 /nfs/dbraw/zinc/11/19/80/374111980.db2.gz OIYSWUDDQOGCLP-INIZCTEOSA-N 1 0 288.370 2.938 50 0 CFAARO Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cn1 ZINC000069974969 374115202 /nfs/dbraw/zinc/11/52/02/374115202.db2.gz ZHNLRZDTCMLABE-INIZCTEOSA-N 1 0 289.423 2.517 50 0 CFAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2c(C)noc2C)c1 ZINC000070040805 374119548 /nfs/dbraw/zinc/11/95/48/374119548.db2.gz YESADRWKWXJXHD-HNNXBMFYSA-N 1 0 288.395 2.851 50 0 CFAARO [NH3+]CC[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000070073980 374121204 /nfs/dbraw/zinc/12/12/04/374121204.db2.gz UQRYBSNSHPAMPR-JTQLQIEISA-N 1 0 273.302 2.666 50 0 CFAARO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000070149046 374129447 /nfs/dbraw/zinc/12/94/47/374129447.db2.gz GHTMSHHHXIMMHD-LLVKDONJSA-N 1 0 284.762 2.823 50 0 CFAARO COc1ccc(C[NH2+]C2CCSCC2)c(OC)c1 ZINC000069782976 374097397 /nfs/dbraw/zinc/09/73/97/374097397.db2.gz BRLBUCBZBFYQOA-UHFFFAOYSA-N 1 0 267.394 2.689 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@H+](CC3CCCC3)C2)n1 ZINC000069842263 374102285 /nfs/dbraw/zinc/10/22/85/374102285.db2.gz ABPWSXFXKYBWIZ-INIZCTEOSA-N 1 0 276.428 2.797 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000069818304 374103069 /nfs/dbraw/zinc/10/30/69/374103069.db2.gz SUTGPXWJDWWWHH-KBPBESRZSA-N 1 0 289.427 2.882 50 0 CFAARO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)cn1 ZINC000069848137 374104372 /nfs/dbraw/zinc/10/43/72/374104372.db2.gz RTYMKITXVZVRGJ-HNNXBMFYSA-N 1 0 259.328 2.896 50 0 CFAARO Cc1ccc(F)cc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069843122 374104959 /nfs/dbraw/zinc/10/49/59/374104959.db2.gz XQWHOQGWVLLDJR-CVEARBPZSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1ccc(F)cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069843120 374105825 /nfs/dbraw/zinc/10/58/25/374105825.db2.gz XQWHOQGWVLLDJR-HZPDHXFCSA-N 1 0 290.382 2.833 50 0 CFAARO Cc1nc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cs1 ZINC000069877230 374107083 /nfs/dbraw/zinc/10/70/83/374107083.db2.gz WTBXKRYLAQDFJK-CQSZACIVSA-N 1 0 295.452 2.578 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000069895016 374107362 /nfs/dbraw/zinc/10/73/62/374107362.db2.gz JHWPZHBZCMOKRN-NSHDSACASA-N 1 0 286.335 2.618 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000070172793 374138965 /nfs/dbraw/zinc/13/89/65/374138965.db2.gz JMYXMEZWQQVDQF-UWVGGRQHSA-N 1 0 284.762 2.679 50 0 CFAARO C[C@H](c1ccccn1)[NH+]1CCN(c2ccccc2)CC1 ZINC000071711676 374219943 /nfs/dbraw/zinc/21/99/43/374219943.db2.gz KYYBRXDFBGRIOH-OAHLLOKOSA-N 1 0 267.376 2.965 50 0 CFAARO C[NH+](C)[C@@H]1CCN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072448182 374253178 /nfs/dbraw/zinc/25/31/78/374253178.db2.gz YZPKZQDEVQNUJZ-QGZVFWFLSA-N 1 0 290.451 2.526 50 0 CFAARO Nc1ccnc(N[C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000072434891 374253709 /nfs/dbraw/zinc/25/37/09/374253709.db2.gz FJBMCAPAETYHKC-AWEZNQCLSA-N 1 0 289.427 2.515 50 0 CFAARO Cc1nn2c(nc(C)cc2NCCC[NH+]2CCCC2)c1C ZINC000072473728 374255436 /nfs/dbraw/zinc/25/54/36/374255436.db2.gz LMUQKYMYUMXKOK-UHFFFAOYSA-N 1 0 287.411 2.552 50 0 CFAARO CC[C@@](C)([NH2+]CCN1CCCCC1)c1nccs1 ZINC000072684963 374277419 /nfs/dbraw/zinc/27/74/19/374277419.db2.gz KRJMFBPHUWSJSW-CQSZACIVSA-N 1 0 267.442 2.844 50 0 CFAARO Cc1csc([C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)n1 ZINC000072273900 374239573 /nfs/dbraw/zinc/23/95/73/374239573.db2.gz OFGNJHAWOFEUIB-CYBMUJFWSA-N 1 0 295.452 2.845 50 0 CFAARO CCSCCC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000072304835 374243571 /nfs/dbraw/zinc/24/35/71/374243571.db2.gz MSTWOBHHHSGDKZ-UHFFFAOYSA-N 1 0 294.464 2.960 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)NC(C)(C)C1CC1)c1cccs1 ZINC000072312629 374244490 /nfs/dbraw/zinc/24/44/90/374244490.db2.gz LNMYPCJSSNCGQJ-GFCCVEGCSA-N 1 0 295.452 2.839 50 0 CFAARO Cc1csc([C@H](C)NC(=O)CCC[NH+]2CCCCC2)n1 ZINC000073313033 374336294 /nfs/dbraw/zinc/33/62/94/374336294.db2.gz YTORVWQMAONPMA-ZDUSSCGKSA-N 1 0 295.452 2.895 50 0 CFAARO CC(C)[C@H](NC(=O)CCC[NH+]1CCCC1)c1ccccn1 ZINC000073845206 374391517 /nfs/dbraw/zinc/39/15/17/374391517.db2.gz SDYKCRWVGSHXJX-KRWDZBQOSA-N 1 0 289.423 2.771 50 0 CFAARO CS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2)C1 ZINC000075921672 374512581 /nfs/dbraw/zinc/51/25/81/374512581.db2.gz KYGBQECUITXZHO-KGLIPLIRSA-N 1 0 278.421 2.841 50 0 CFAARO c1cncc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000078890676 374573453 /nfs/dbraw/zinc/57/34/53/374573453.db2.gz OMPZJUQMMVBJGV-CQSZACIVSA-N 1 0 284.363 2.722 50 0 CFAARO Cc1ncsc1C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000084066523 374763063 /nfs/dbraw/zinc/76/30/63/374763063.db2.gz PGFXVWADMGZLRH-UHFFFAOYSA-N 1 0 299.440 2.844 50 0 CFAARO Cc1nn(C)c2ncc(C[N@@H+]3CCc4ccccc4C3)cc12 ZINC000084067805 374762646 /nfs/dbraw/zinc/76/26/46/374762646.db2.gz JUCSIRADDXRGLX-UHFFFAOYSA-N 1 0 292.386 2.835 50 0 CFAARO Cc1cccc(-c2nc(CC[NH3+])n3ccccc23)c1 ZINC000084588763 374783026 /nfs/dbraw/zinc/78/30/26/374783026.db2.gz FBZDNGAWPXTRCG-UHFFFAOYSA-N 1 0 251.333 2.811 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC(C2CC2)C2CC2)C1 ZINC000084597486 374784107 /nfs/dbraw/zinc/78/41/07/374784107.db2.gz GKARATYDYVGKNL-CYBMUJFWSA-N 1 0 293.455 2.595 50 0 CFAARO COCCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000089410297 374901950 /nfs/dbraw/zinc/90/19/50/374901950.db2.gz SKAJACLTWZRVKA-CQSZACIVSA-N 1 0 251.395 2.643 50 0 CFAARO Cc1noc(CC[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000089517682 374917158 /nfs/dbraw/zinc/91/71/58/374917158.db2.gz LLMMJVPURLYJFV-LBPRGKRZSA-N 1 0 275.377 2.747 50 0 CFAARO Fc1cccc(F)c1N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000089768169 374947917 /nfs/dbraw/zinc/94/79/17/374947917.db2.gz FYLLWWIIMFTFLB-CYBMUJFWSA-N 1 0 289.329 2.728 50 0 CFAARO O=C(Nc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000089845662 374959986 /nfs/dbraw/zinc/95/99/86/374959986.db2.gz OENVISWBWPFZOV-HNNXBMFYSA-N 1 0 273.380 2.779 50 0 CFAARO OCC[N@H+](Cc1ccncc1)[C@H]1CCc2ccccc21 ZINC000089858127 374961251 /nfs/dbraw/zinc/96/12/51/374961251.db2.gz LHUITZQCIBUTAB-KRWDZBQOSA-N 1 0 268.360 2.563 50 0 CFAARO C[C@H](Cc1ccccc1Br)[NH2+]Cc1cc[nH]n1 ZINC000089904213 374966769 /nfs/dbraw/zinc/96/67/69/374966769.db2.gz WHSVCBHPKADUCG-SNVBAGLBSA-N 1 0 294.196 2.893 50 0 CFAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000089949056 374974600 /nfs/dbraw/zinc/97/46/00/374974600.db2.gz CDQGVPDTFGVGMW-WMLDXEAASA-N 1 0 299.418 2.905 50 0 CFAARO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000089942801 374974968 /nfs/dbraw/zinc/97/49/68/374974968.db2.gz ODHMIEBZJPOPHE-HOCLYGCPSA-N 1 0 287.407 2.768 50 0 CFAARO NC(=O)c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000090179871 374998950 /nfs/dbraw/zinc/99/89/50/374998950.db2.gz QEEANSHLJWUMCM-UHFFFAOYSA-N 1 0 250.342 2.581 50 0 CFAARO C[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000253370556 189987006 /nfs/dbraw/zinc/98/70/06/189987006.db2.gz SKJMCQFHCJMJCI-VNQPRFMTSA-N 1 0 295.448 2.593 50 0 CFAARO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000092757349 375150143 /nfs/dbraw/zinc/15/01/43/375150143.db2.gz UCPIDVGBQMJVFA-AWEZNQCLSA-N 1 0 278.371 2.504 50 0 CFAARO Oc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812826 375158982 /nfs/dbraw/zinc/15/89/82/375158982.db2.gz FVZXIMHQGKPNBA-OAHLLOKOSA-N 1 0 283.375 2.721 50 0 CFAARO C[N@H+](Cc1ccc2c(c1)OCCO2)C1CCSCC1 ZINC000092871906 375166019 /nfs/dbraw/zinc/16/60/19/375166019.db2.gz PTZWICCHVJOESX-UHFFFAOYSA-N 1 0 279.405 2.785 50 0 CFAARO COc1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1O ZINC000092540693 375122103 /nfs/dbraw/zinc/12/21/03/375122103.db2.gz GFRPEDIKWVUEPY-GHMZBOCLSA-N 1 0 267.394 2.727 50 0 CFAARO Cc1cscc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000253420418 189990937 /nfs/dbraw/zinc/99/09/37/189990937.db2.gz WXHWYPRVRKVTLU-NSHDSACASA-N 1 0 254.399 2.515 50 0 CFAARO CSC[C@H]1CCC[N@@H+]1Cc1cccc2c[nH]nc21 ZINC000093760989 375308180 /nfs/dbraw/zinc/30/81/80/375308180.db2.gz RGZMTMBYMZXYSP-CYBMUJFWSA-N 1 0 261.394 2.890 50 0 CFAARO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1N(C)C ZINC000093941916 375332491 /nfs/dbraw/zinc/33/24/91/375332491.db2.gz OBSWWRDZDPWWRZ-SWLSCSKDSA-N 1 0 274.364 2.730 50 0 CFAARO CCOC(C[N@H+](C)Cc1cccc(OC)c1)OCC ZINC000095470429 375459348 /nfs/dbraw/zinc/45/93/48/375459348.db2.gz 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ICYHSLXYKCEBEI-UHFFFAOYSA-N 1 0 292.427 2.867 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](CCCn1cc(C)cn1)CC2 ZINC000095354185 375417666 /nfs/dbraw/zinc/41/76/66/375417666.db2.gz SFNVFTVRHORNMQ-UHFFFAOYSA-N 1 0 299.418 2.691 50 0 CFAARO CCOC(=O)/C=C1/CCC[N@H+](Cc2ccccc2)C1 ZINC000095348138 375418176 /nfs/dbraw/zinc/41/81/76/375418176.db2.gz BKZNISJDCQIXKP-PTNGSMBKSA-N 1 0 259.349 2.772 50 0 CFAARO Cc1cc(CNC(=O)CCC[NH+]2CCCCC2)cc(C)n1 ZINC000095356532 375419522 /nfs/dbraw/zinc/41/95/22/375419522.db2.gz VAPBACQDODMXDL-UHFFFAOYSA-N 1 0 289.423 2.581 50 0 CFAARO CCc1noc(CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000095358197 375419813 /nfs/dbraw/zinc/41/98/13/375419813.db2.gz WYXUZKBRQBCHIE-QWHCGFSZSA-N 1 0 263.385 2.829 50 0 CFAARO Cc1ccnc(NCC2CC[NH+](C3CCCC3)CC2)n1 ZINC000095380463 375425739 /nfs/dbraw/zinc/42/57/39/375425739.db2.gz FQJOXAKMJHNUFN-UHFFFAOYSA-N 1 0 274.412 2.852 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(F)c1 ZINC000095382621 375426878 /nfs/dbraw/zinc/42/68/78/375426878.db2.gz 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375439479 /nfs/dbraw/zinc/43/94/79/375439479.db2.gz PJHZEFPWOSJAHC-NEPJUHHUSA-N 1 0 290.329 2.827 50 0 CFAARO C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(-n2ccnc2)cc1 ZINC000095420553 375440728 /nfs/dbraw/zinc/44/07/28/375440728.db2.gz UQYILAFGXZGSKJ-RDTXWAMCSA-N 1 0 298.434 2.863 50 0 CFAARO C1CCC([NH+]2CCC(c3nc([C@H]4CCOC4)no3)CC2)C1 ZINC000096163562 375471576 /nfs/dbraw/zinc/47/15/76/375471576.db2.gz RXEFHBCUAHSFRC-ZDUSSCGKSA-N 1 0 291.395 2.696 50 0 CFAARO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000095427564 375443410 /nfs/dbraw/zinc/44/34/10/375443410.db2.gz TUFQBPWSIQDLEQ-JOYOIKCWSA-N 1 0 252.383 2.515 50 0 CFAARO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000095426364 375443875 /nfs/dbraw/zinc/44/38/75/375443875.db2.gz PAPBWLBFFVLBHD-KGLIPLIRSA-N 1 0 288.439 2.695 50 0 CFAARO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cnn(C)c1C ZINC000097145315 375530262 /nfs/dbraw/zinc/53/02/62/375530262.db2.gz KFIQJIAPZDSHRN-OAHLLOKOSA-N 1 0 299.418 2.947 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000097159139 375532220 /nfs/dbraw/zinc/53/22/20/375532220.db2.gz ICQPTMJKVCLDKZ-OAHLLOKOSA-N 1 0 284.407 2.643 50 0 CFAARO OC1(C(F)(F)F)CC[NH+](Cc2cccs2)CC1 ZINC000097162249 375533390 /nfs/dbraw/zinc/53/33/90/375533390.db2.gz VBXBAKWLJJZKLS-UHFFFAOYSA-N 1 0 265.300 2.637 50 0 CFAARO Cc1ccc(C[N@H+](C[C@@H](O)COC(C)C)CC2CC2)o1 ZINC000096212210 375476918 /nfs/dbraw/zinc/47/69/18/375476918.db2.gz NNSTWPCZXAVEIR-OAHLLOKOSA-N 1 0 281.396 2.586 50 0 CFAARO CC(=O)N[C@H]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000096501980 375488838 /nfs/dbraw/zinc/48/88/38/375488838.db2.gz GSWVOWDTIOWZTL-HNNXBMFYSA-N 1 0 297.402 2.957 50 0 CFAARO COC[C@@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000097099672 375516837 /nfs/dbraw/zinc/51/68/37/375516837.db2.gz JNRQQBRGVOMEQV-OAHLLOKOSA-N 1 0 275.392 2.926 50 0 CFAARO CCOC(=O)c1nc(C[NH2+][C@@H]2CCCC[C@H]2C)cs1 ZINC000097096328 375516929 /nfs/dbraw/zinc/51/69/29/375516929.db2.gz UALUALPCLLRTNG-ZYHUDNBSSA-N 1 0 282.409 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286.419 2.659 50 0 CFAARO CC(C)CCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000097427867 375557903 /nfs/dbraw/zinc/55/79/03/375557903.db2.gz MYWPYUHQCUCSDF-CQSZACIVSA-N 1 0 271.449 2.698 50 0 CFAARO CCOc1ccccc1CNC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000097575095 375568244 /nfs/dbraw/zinc/56/82/44/375568244.db2.gz OWOACSNAMIPAKW-OAHLLOKOSA-N 1 0 290.407 2.576 50 0 CFAARO C[N@H+](Cc1cnccn1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000097618990 375575704 /nfs/dbraw/zinc/57/57/04/375575704.db2.gz QSXZCIJPERBBJZ-ZFWWWQNUSA-N 1 0 257.381 2.901 50 0 CFAARO Clc1cncc(Cl)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097675486 375577594 /nfs/dbraw/zinc/57/75/94/375577594.db2.gz HPEWJRUYZXXZBR-ZJUUUORDSA-N 1 0 286.206 2.715 50 0 CFAARO Nc1cncc(-c2ccc(C[NH+]3CCCCC3)cn2)c1 ZINC000097713475 375579333 /nfs/dbraw/zinc/57/93/33/375579333.db2.gz AATKQMJDOMAHOM-UHFFFAOYSA-N 1 0 268.364 2.712 50 0 CFAARO COc1cc2c(cc1O)[C@@H](Cc1ccccc1)[N@H+](C)C[C@H]2O ZINC000103214921 375720551 /nfs/dbraw/zinc/72/05/51/375720551.db2.gz 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377920988 /nfs/dbraw/zinc/92/09/88/377920988.db2.gz QZSUINDZCCUFLC-CQSZACIVSA-N 1 0 290.407 2.686 50 0 CFAARO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)Nc1ccncc1 ZINC000133673651 377948843 /nfs/dbraw/zinc/94/88/43/377948843.db2.gz XOTJZZMDEOELST-SJORKVTESA-N 1 0 295.386 2.946 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC000133237910 377916038 /nfs/dbraw/zinc/91/60/38/377916038.db2.gz HVUJCCHNZHZPJR-CQSZACIVSA-N 1 0 277.412 2.510 50 0 CFAARO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)N2CCCC2)cc1 ZINC000135715820 378159430 /nfs/dbraw/zinc/15/94/30/378159430.db2.gz ZKCLFPGGSCMWJJ-AWEZNQCLSA-N 1 0 290.407 2.747 50 0 CFAARO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)Cc1cccs1 ZINC000137752033 378228022 /nfs/dbraw/zinc/22/80/22/378228022.db2.gz BFHUIIQLKWLPLL-NSHDSACASA-N 1 0 268.426 2.560 50 0 CFAARO CCC(CC)(C[NH3+])C(=O)N[C@H](C)Cc1cccs1 ZINC000137752128 378228510 /nfs/dbraw/zinc/22/85/10/378228510.db2.gz BFHUIIQLKWLPLL-LLVKDONJSA-N 1 0 268.426 2.560 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000152307446 378408310 /nfs/dbraw/zinc/40/83/10/378408310.db2.gz DTLSWDNHRIJEAC-JTQLQIEISA-N 1 0 278.739 2.568 50 0 CFAARO Cc1cccc(N2CC[C@@H](C)[C@H](n3ccnc3)C2)n1 ZINC000157995050 378662648 /nfs/dbraw/zinc/66/26/48/378662648.db2.gz HOWORNQVRLHNIS-TZMCWYRMSA-N 1 0 256.353 2.674 50 0 CFAARO C[C@@H](CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499335 194014076 /nfs/dbraw/zinc/01/40/76/194014076.db2.gz NGHNZZFELNBHNY-GOEBONIOSA-N 1 0 295.448 2.689 50 0 CFAARO OC1(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CCOCC1 ZINC000162597038 378921054 /nfs/dbraw/zinc/92/10/54/378921054.db2.gz RJDJLNDPZRNWSN-IRXDYDNUSA-N 1 0 289.419 2.844 50 0 CFAARO c1ccc(-c2noc(-c3ccccc3OC3C[NH2+]C3)n2)cc1 ZINC000169676369 379107294 /nfs/dbraw/zinc/10/72/94/379107294.db2.gz DYNMSNLAWPOVIP-UHFFFAOYSA-N 1 0 293.326 2.754 50 0 CFAARO O=C1N(C2CC[NH2+]CC2)[C@@H](c2ccccc2)C12CCCC2 ZINC000169676539 379107529 /nfs/dbraw/zinc/10/75/29/379107529.db2.gz HZJLBALZWIAQMK-INIZCTEOSA-N 1 0 284.403 2.882 50 0 CFAARO CC[NH+](CC)Cc1ccc(NC(=O)c2cc[nH]n2)cc1 ZINC000170605637 379126774 /nfs/dbraw/zinc/12/67/74/379126774.db2.gz BHXLONXQOQOZPB-UHFFFAOYSA-N 1 0 272.352 2.504 50 0 CFAARO NC(=O)c1ccc(C[NH2+]CC2(c3ccccc3)CC2)cc1 ZINC000048710327 412915347 /nfs/dbraw/zinc/91/53/47/412915347.db2.gz MXEGXQXGRYDWHK-UHFFFAOYSA-N 1 0 280.371 2.607 50 0 CFAARO CC(C)[C@H]([NH2+][C@H](C)C1CCOCC1)C(=O)OC(C)(C)C ZINC000347119619 380951774 /nfs/dbraw/zinc/95/17/74/380951774.db2.gz BSCJTIPCMSWDEQ-OCCSQVGLSA-N 1 0 285.428 2.757 50 0 CFAARO C[C@H](CCc1ccccc1F)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000408519198 380935999 /nfs/dbraw/zinc/93/59/99/380935999.db2.gz QNMUBXFCLRYKOX-NFAWXSAZSA-N 1 0 292.398 2.733 50 0 CFAARO CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CC2CCCCCC2)C1 ZINC000408516319 380936014 /nfs/dbraw/zinc/93/60/14/380936014.db2.gz DXUHTXWXUOHJMG-CABCVRRESA-N 1 0 292.427 2.845 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000408519217 380938489 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ZINC000299750492 382041537 /nfs/dbraw/zinc/04/15/37/382041537.db2.gz NOQLSNKRQQMYNW-HBUWYVDXSA-N 1 0 286.419 2.827 50 0 CFAARO CCC[n+]1c2ccc(NC(C)=O)cc2n2ccccc21 ZINC000000387483 169626386 /nfs/dbraw/zinc/62/63/86/169626386.db2.gz KEGKTFIMANTLMG-UHFFFAOYSA-O 1 0 268.340 2.748 50 0 CFAARO Fc1ccc2ncnc(NCC[NH+]3CCCCC3)c2c1 ZINC000301151635 382092302 /nfs/dbraw/zinc/09/23/02/382092302.db2.gz KQLKMFGQGQKBAO-UHFFFAOYSA-N 1 0 274.343 2.667 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2F)C1 ZINC000189134002 382551338 /nfs/dbraw/zinc/55/13/38/382551338.db2.gz RZGDENCVMOKFQR-LBPRGKRZSA-N 1 0 298.789 2.779 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccnc1 ZINC000190034798 382651090 /nfs/dbraw/zinc/65/10/90/382651090.db2.gz WUQVNBKGUMLCDU-QWHCGFSZSA-N 1 0 253.415 2.537 50 0 CFAARO Cc1cc(C)c(C[N@@H+](C)C2(CO)CCOCC2)c(C)c1 ZINC000190987284 382687449 /nfs/dbraw/zinc/68/74/49/382687449.db2.gz WMEVSYLIVZXSNU-UHFFFAOYSA-N 1 0 277.408 2.585 50 0 CFAARO COc1cccc(CNc2c[nH+]ccc2-n2cc(C)cn2)n1 ZINC000191477206 382700918 /nfs/dbraw/zinc/70/09/18/382700918.db2.gz YJYSHGYFJKQFBL-UHFFFAOYSA-N 1 0 295.346 2.591 50 0 CFAARO COC(=O)C1CCC([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000192441554 382708764 /nfs/dbraw/zinc/70/87/64/382708764.db2.gz IJZIDPVXKGSXHB-UNXYVOJBSA-N 1 0 282.409 2.834 50 0 CFAARO [NH3+][C@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1 ZINC000192770759 382712128 /nfs/dbraw/zinc/71/21/28/382712128.db2.gz BUROFBSKYVBNLJ-MRXNPFEDSA-N 1 0 291.354 2.743 50 0 CFAARO CC[C@H](C)N(C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194018648 382733252 /nfs/dbraw/zinc/73/32/52/382733252.db2.gz HRFBMPZCSBIENV-ZJIFWQFVSA-N 1 0 280.456 2.654 50 0 CFAARO CC(C)NC(=O)C[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC000195539398 382769070 /nfs/dbraw/zinc/76/90/70/382769070.db2.gz ITBAJOXNODVGLO-JTQLQIEISA-N 1 0 286.778 2.872 50 0 CFAARO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000195535221 382769370 /nfs/dbraw/zinc/76/93/70/382769370.db2.gz URVHQZPJVOGIPC-SOZUMNATSA-N 1 0 286.466 2.621 50 0 CFAARO CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1F ZINC000195553581 382769502 /nfs/dbraw/zinc/76/95/02/382769502.db2.gz YOOYSCQODXIZLZ-MRXNPFEDSA-N 1 0 294.414 2.977 50 0 CFAARO O=C(NC1CC1)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000195545016 382769541 /nfs/dbraw/zinc/76/95/41/382769541.db2.gz ZHQPKEDKFNJVMT-FMKPAKJESA-N 1 0 276.424 2.770 50 0 CFAARO Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000195553477 382769757 /nfs/dbraw/zinc/76/97/57/382769757.db2.gz OSZVITADHTWBQW-INIZCTEOSA-N 1 0 290.382 2.721 50 0 CFAARO Cc1ccccc1-c1cccc(C[N@@H+](C)[C@H]2COC[C@@H]2O)c1 ZINC000215071653 382777381 /nfs/dbraw/zinc/77/73/81/382777381.db2.gz WKJZJIULOCGMLJ-OALUTQOASA-N 1 0 297.398 2.854 50 0 CFAARO COc1ccc(/C=C/CN(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000215069968 382777440 /nfs/dbraw/zinc/77/74/40/382777440.db2.gz ICZQKKDLJMANNP-NBUZRDOWSA-N 1 0 274.408 2.734 50 0 CFAARO Clc1cccc2c1CC[N@H+](C[C@H]1CCOC1)C2 ZINC000215441439 382778850 /nfs/dbraw/zinc/77/88/50/382778850.db2.gz NUYVLMPJSPEGBX-LLVKDONJSA-N 1 0 251.757 2.735 50 0 CFAARO C[N@H+](CCn1cccn1)Cc1ccc([C@@H]2CCCO2)s1 ZINC000215734620 382780178 /nfs/dbraw/zinc/78/01/78/382780178.db2.gz NAPUUPZNNRYNFD-AWEZNQCLSA-N 1 0 291.420 2.928 50 0 CFAARO C[NH+](C)[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1 ZINC000215663909 382780484 /nfs/dbraw/zinc/78/04/84/382780484.db2.gz OZDBIPUYBPYNGD-JTQLQIEISA-N 1 0 291.782 2.597 50 0 CFAARO Cn1cc(CC[N@H+](C)Cc2ccc(F)cc2Cl)cn1 ZINC000215865848 382780765 /nfs/dbraw/zinc/78/07/65/382780765.db2.gz RSQAVNKHQYKIRG-UHFFFAOYSA-N 1 0 281.762 2.887 50 0 CFAARO Cc1nccn1CC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000215837223 382780940 /nfs/dbraw/zinc/78/09/40/382780940.db2.gz AGEXNNVHENSWQQ-AWEZNQCLSA-N 1 0 257.381 2.927 50 0 CFAARO CO[C@H]1CCC[N@H+](Cc2ccc3ccn(C)c3c2)C1 ZINC000215976543 382781442 /nfs/dbraw/zinc/78/14/42/382781442.db2.gz QWFGKRYLMOBPMM-HNNXBMFYSA-N 1 0 258.365 2.789 50 0 CFAARO Cc1ccc(-c2ccc(CN3CC[C@H]([NH3+])C3)cc2)o1 ZINC000216122627 382782051 /nfs/dbraw/zinc/78/20/51/382782051.db2.gz HUDSTUFWKDTTAP-HNNXBMFYSA-N 1 0 256.349 2.788 50 0 CFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cccc3ncccc13)C2 ZINC000216308538 382782949 /nfs/dbraw/zinc/78/29/49/382782949.db2.gz OMEIFLXKTGCPAW-GOEBONIOSA-N 1 0 281.403 2.761 50 0 CFAARO CCCn1cc(CN(C)C[C@H]2CCCC[N@@H+]2C)c(C)n1 ZINC000216412333 382783614 /nfs/dbraw/zinc/78/36/14/382783614.db2.gz IWZARZZHMDJRIH-MRXNPFEDSA-N 1 0 278.444 2.518 50 0 CFAARO CSc1ccc(C(=O)N(C)C[C@@]2(C)CC[N@H+](C)C2)cc1 ZINC000218812975 382790863 /nfs/dbraw/zinc/79/08/63/382790863.db2.gz VPRCTMUGZSNBHB-INIZCTEOSA-N 1 0 292.448 2.822 50 0 CFAARO CSc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000194377282 382742760 /nfs/dbraw/zinc/74/27/60/382742760.db2.gz CCWZZFNCHWTIDA-TZMCWYRMSA-N 1 0 290.432 2.575 50 0 CFAARO COc1cc(NC(=O)N2CCC[N@H+](C)CC2)ccc1Cl ZINC000194406339 382743281 /nfs/dbraw/zinc/74/32/81/382743281.db2.gz SDLHDAZVPMXFFK-UHFFFAOYSA-N 1 0 297.786 2.518 50 0 CFAARO C=Cn1cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cn1 ZINC000194675840 382751760 /nfs/dbraw/zinc/75/17/60/382751760.db2.gz CSYWEWOHDQMPAE-BBRMVZONSA-N 1 0 268.364 2.962 50 0 CFAARO C=Cn1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cn1 ZINC000194675803 382751801 /nfs/dbraw/zinc/75/18/01/382751801.db2.gz CSYWEWOHDQMPAE-XJKSGUPXSA-N 1 0 268.364 2.962 50 0 CFAARO CC(C)(C)SCCNc1cc(C2CC([NH3+])C2)ncn1 ZINC000220461944 382796175 /nfs/dbraw/zinc/79/61/75/382796175.db2.gz SOAJGICRCCEAHP-UHFFFAOYSA-N 1 0 280.441 2.625 50 0 CFAARO C[C@H](C[N@@H+]1CC[C@@H](CO)C1)c1cccc(Cl)c1 ZINC000221919848 382800373 /nfs/dbraw/zinc/80/03/73/382800373.db2.gz MMFRHRRTGDGTNL-VXGBXAGGSA-N 1 0 253.773 2.758 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)C12CCCC2 ZINC000222113460 382800823 /nfs/dbraw/zinc/80/08/23/382800823.db2.gz UWXAJPDRJCFLFO-XUWVNRHRSA-N 1 0 280.456 2.797 50 0 CFAARO OC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccccc1Cl ZINC000225330679 382814379 /nfs/dbraw/zinc/81/43/79/382814379.db2.gz XRNKENKDBGWPOU-CQDKDKBSSA-N 1 0 283.799 2.514 50 0 CFAARO CCC1CCC([N@H+](CCO)Cc2cncs2)CC1 ZINC000225414008 382815998 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ZINC000225785893 382821512 /nfs/dbraw/zinc/82/15/12/382821512.db2.gz ZHZBSMOHGWAUKG-ROUUACIJSA-N 1 0 298.386 2.922 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC000229405625 382851592 /nfs/dbraw/zinc/85/15/92/382851592.db2.gz WIKKCNHOYZSCNF-UKRRQHHQSA-N 1 0 284.359 2.845 50 0 CFAARO Cc1cccc(C2(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000229394957 382851608 /nfs/dbraw/zinc/85/16/08/382851608.db2.gz YBMDOAUFRURFGB-IRXDYDNUSA-N 1 0 298.430 2.770 50 0 CFAARO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](C)C1 ZINC000229694934 382853253 /nfs/dbraw/zinc/85/32/53/382853253.db2.gz KHKHBMOJXSMUPN-LSDHHAIUSA-N 1 0 298.471 2.676 50 0 CFAARO O=C(O[C@@H]1CC[NH2+][C@H]2CCCC[C@@H]12)c1ccccc1 ZINC000229892844 382854044 /nfs/dbraw/zinc/85/40/44/382854044.db2.gz MHURPUBOKOVYBH-QLFBSQMISA-N 1 0 259.349 2.764 50 0 CFAARO O=c1cc(C[N@@H+]2C[C@@H]3CCCCC[C@H]32)nc2sccn21 ZINC000230173270 382857144 /nfs/dbraw/zinc/85/71/44/382857144.db2.gz WANMWISPJBPVNA-WCQYABFASA-N 1 0 289.404 2.521 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+]Cc2ccno2)C12CCCCC2 ZINC000231880568 382867438 /nfs/dbraw/zinc/86/74/38/382867438.db2.gz CQBGIHRBXMSRDT-KGLIPLIRSA-N 1 0 264.369 2.892 50 0 CFAARO CCS[C@H]1CCC[C@H]1[NH2+]Cc1nccc(OC)c1OC ZINC000233850406 382872277 /nfs/dbraw/zinc/87/22/77/382872277.db2.gz VZBOYSHMEGXNAX-RISCZKNCSA-N 1 0 296.436 2.863 50 0 CFAARO CC1(C)CC(NCc2cnc3ccccn23)CC(C)(C)[NH2+]1 ZINC000236738921 382912171 /nfs/dbraw/zinc/91/21/71/382912171.db2.gz VFLUCIPLTGRZQC-UHFFFAOYSA-N 1 0 286.423 2.733 50 0 CFAARO CCc1ccc([C@H](NC(=O)[C@H]2CC[NH2+]C2)C(C)(C)C)o1 ZINC000236986081 382940212 /nfs/dbraw/zinc/94/02/12/382940212.db2.gz UFCZMMMYGPFJIT-FZMZJTMJSA-N 1 0 278.396 2.655 50 0 CFAARO C[C@H](Cc1ccc(F)cc1Cl)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000421844954 382942743 /nfs/dbraw/zinc/94/27/43/382942743.db2.gz PECRBQFUCCAWAN-UHIISALHSA-N 1 0 283.774 2.937 50 0 CFAARO Cc1ccc2cccc(C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)c2n1 ZINC000237443606 382961352 /nfs/dbraw/zinc/96/13/52/382961352.db2.gz IDFOIYALIHALJY-ZFWWWQNUSA-N 1 0 297.402 2.743 50 0 CFAARO CC(C)c1cccc(OCC(=O)N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000236795080 382918291 /nfs/dbraw/zinc/91/82/91/382918291.db2.gz DNWGXADNNGRNIF-HIFRSBDPSA-N 1 0 290.407 2.527 50 0 CFAARO CC[C@@H](Oc1ccccc1C(C)C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000236878873 382926165 /nfs/dbraw/zinc/92/61/65/382926165.db2.gz MJUIVTBTOXCHIM-DZGCQCFKSA-N 1 0 290.407 2.527 50 0 CFAARO Cc1ccc2cc(C(=O)N3CCC(C[NH3+])CC3)c(C)nc2c1 ZINC000237887685 382973130 /nfs/dbraw/zinc/97/31/30/382973130.db2.gz WHXWBDSSKXORIC-UHFFFAOYSA-N 1 0 297.402 2.663 50 0 CFAARO CC(C)COCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000241371287 382983522 /nfs/dbraw/zinc/98/35/22/382983522.db2.gz MMDYUGGSOFGFSZ-LSDHHAIUSA-N 1 0 265.401 2.629 50 0 CFAARO CC[N@H+](C)[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 ZINC000241644680 382983921 /nfs/dbraw/zinc/98/39/21/382983921.db2.gz PSQUPPMMUBMSFA-LLVKDONJSA-N 1 0 273.302 2.631 50 0 CFAARO CC(C)COCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000241371286 382983928 /nfs/dbraw/zinc/98/39/28/382983928.db2.gz MMDYUGGSOFGFSZ-HUUCEWRRSA-N 1 0 265.401 2.629 50 0 CFAARO CCc1cc2c(ncnc2N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000242389616 382986180 /nfs/dbraw/zinc/98/61/80/382986180.db2.gz ZYUPFFVHIXMUKZ-NSHDSACASA-N 1 0 288.420 2.538 50 0 CFAARO [NH3+][C@H]1CC[C@@H]([C@H]2CC(=O)Nc3cc4n[nH]cc4cc32)CC1 ZINC000243914674 382988102 /nfs/dbraw/zinc/98/81/02/382988102.db2.gz BJHRHIRUCZDYHK-ADEWGFFLSA-N 1 0 284.363 2.506 50 0 CFAARO C[N@H+](CCCn1cccn1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000244691736 382989455 /nfs/dbraw/zinc/98/94/55/382989455.db2.gz JIGDRYLBTZIZHT-KRWDZBQOSA-N 1 0 298.434 2.732 50 0 CFAARO C[N@H+](CCC[C@@H]1CCCO1)CCn1cnc2ccccc21 ZINC000244633554 382989861 /nfs/dbraw/zinc/98/98/61/382989861.db2.gz GEVQCIQMHJEYBP-OAHLLOKOSA-N 1 0 287.407 2.927 50 0 CFAARO C[C@@H](C(=O)Nc1ccccn1)[N@H+](C)C1Cc2ccccc2C1 ZINC000244734289 382990841 /nfs/dbraw/zinc/99/08/41/382990841.db2.gz NCTWTSNKKSJGBV-ZDUSSCGKSA-N 1 0 295.386 2.508 50 0 CFAARO [NH3+][C@H]1C[C@@H](c2cc(NCC3CCCCC3)ncn2)C1 ZINC000244701019 382991223 /nfs/dbraw/zinc/99/12/23/382991223.db2.gz JYOVBCBOULYWIR-BETUJISGSA-N 1 0 260.385 2.674 50 0 CFAARO Cc1cc(C)n([C@@H]2CC[N@@H+](CCc3csc(C)n3)C2)n1 ZINC000244723694 382991612 /nfs/dbraw/zinc/99/16/12/382991612.db2.gz MFPSIWHJOPQPDI-OAHLLOKOSA-N 1 0 290.436 2.754 50 0 CFAARO CSCC[N@H+](C)CCC(=O)Nc1cc(F)ccc1F ZINC000244898804 382994053 /nfs/dbraw/zinc/99/40/53/382994053.db2.gz ZBXKGGDWBVXEKJ-UHFFFAOYSA-N 1 0 288.363 2.588 50 0 CFAARO CN(Cc1cnccn1)C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000244874988 382994338 /nfs/dbraw/zinc/99/43/38/382994338.db2.gz XKOYSRXYKWQXKN-GOSISDBHSA-N 1 0 296.418 2.573 50 0 CFAARO C[N@H+](CCn1ccc2ccccc21)C[C@H]1CCOC1 ZINC000244873004 382994388 /nfs/dbraw/zinc/99/43/88/382994388.db2.gz WIFUAAFMVFCXGE-CQSZACIVSA-N 1 0 258.365 2.610 50 0 CFAARO Cc1ccc(-c2nnc([C@H]3CC[C@H](C[NH3+])CC3)o2)cn1 ZINC000245204525 382996232 /nfs/dbraw/zinc/99/62/32/382996232.db2.gz CTFNUOBRMISUAN-HAQNSBGRSA-N 1 0 272.352 2.673 50 0 CFAARO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237596960 382966305 /nfs/dbraw/zinc/96/63/05/382966305.db2.gz PTWHZCLKKZBZHQ-QLFBSQMISA-N 1 0 274.408 2.827 50 0 CFAARO C[C@@H]([NH2+]C1CCC(=C2CCC2)CC1)c1ncn(C)n1 ZINC000583651301 383092020 /nfs/dbraw/zinc/09/20/20/383092020.db2.gz KJEHJGMSTJYPLY-LLVKDONJSA-N 1 0 260.385 2.889 50 0 CFAARO FCCCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000585123540 383116293 /nfs/dbraw/zinc/11/62/93/383116293.db2.gz PEQSHPDZSMCFAT-UHFFFAOYSA-N 1 0 264.388 2.596 50 0 CFAARO Cc1ccccc1N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000248125111 383213448 /nfs/dbraw/zinc/21/34/48/383213448.db2.gz UMTBBLMYQMIVBJ-MRXNPFEDSA-N 1 0 274.408 2.544 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000248032408 383207606 /nfs/dbraw/zinc/20/76/06/383207606.db2.gz MDALECPGBHVTDH-QWHCGFSZSA-N 1 0 293.436 2.540 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000248113019 383211782 /nfs/dbraw/zinc/21/17/82/383211782.db2.gz HXCSZFBHJUHVJO-HUUCEWRRSA-N 1 0 294.345 2.664 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H]2CCCC[C@H]2C)C1 ZINC000248498303 383251193 /nfs/dbraw/zinc/25/11/93/383251193.db2.gz ROOYBKJWKRKOHG-FVQBIDKESA-N 1 0 266.429 2.613 50 0 CFAARO Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248757438 383288323 /nfs/dbraw/zinc/28/83/23/383288323.db2.gz VMAMOKVKDSNLMQ-WCQYABFASA-N 1 0 253.773 2.851 50 0 CFAARO COCc1nnc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)[nH]1 ZINC000426436561 383399696 /nfs/dbraw/zinc/39/96/96/383399696.db2.gz OABKWCBUEPBNIO-GFCCVEGCSA-N 1 0 286.379 2.775 50 0 CFAARO Cc1nc2ncc(-c3ccc([C@@H](C)[NH+](C)C)cc3)cn2n1 ZINC000426517807 383403757 /nfs/dbraw/zinc/40/37/57/383403757.db2.gz HOZXWSFIZPVPLR-LLVKDONJSA-N 1 0 281.363 2.722 50 0 CFAARO CC1(C)C[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C[C@@H]1c1ccccc1 ZINC000426668275 383408759 /nfs/dbraw/zinc/40/87/59/383408759.db2.gz IASQXXYOJKRDKF-CQSZACIVSA-N 1 0 299.374 2.513 50 0 CFAARO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCO ZINC000252513072 383416361 /nfs/dbraw/zinc/41/63/61/383416361.db2.gz XDMCTKREUFRIEM-NVXWUHKLSA-N 1 0 290.451 2.505 50 0 CFAARO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000252477594 383410424 /nfs/dbraw/zinc/41/04/24/383410424.db2.gz RBEWWLMOEZDQGL-WUPYBSFASA-N 1 0 281.440 2.673 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)nc1 ZINC000252481596 383411499 /nfs/dbraw/zinc/41/14/99/383411499.db2.gz COYFQBKHCVHTAC-AWEZNQCLSA-N 1 0 270.380 2.747 50 0 CFAARO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@H]1n1ccnc1 ZINC000252802296 383435943 /nfs/dbraw/zinc/43/59/43/383435943.db2.gz LBUXPBUYIHWUKQ-RHSMWYFYSA-N 1 0 297.402 2.901 50 0 CFAARO COc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c(F)c1 ZINC000253369782 383451762 /nfs/dbraw/zinc/45/17/62/383451762.db2.gz IBOCODXXPZJIMU-IJLUTSLNSA-N 1 0 267.344 2.788 50 0 CFAARO CC(C)(C)OC(=O)C1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000253428989 383459722 /nfs/dbraw/zinc/45/97/22/383459722.db2.gz GFBIJFFJLIPYJW-AWEZNQCLSA-N 1 0 297.439 2.998 50 0 CFAARO CSC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000252584375 383420194 /nfs/dbraw/zinc/42/01/94/383420194.db2.gz AAZMJNHTSXNLAW-QLFBSQMISA-N 1 0 265.422 2.984 50 0 CFAARO Fc1ccc(-c2ncc3c(n2)C[C@@H]2CC[C@H]3[NH2+]2)cc1 ZINC000257184481 383491753 /nfs/dbraw/zinc/49/17/53/383491753.db2.gz UVAIQRZFUUFYEL-WCQYABFASA-N 1 0 255.296 2.632 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000269186972 384734137 /nfs/dbraw/zinc/73/41/37/384734137.db2.gz CSDCENNYPLVDQY-LLVKDONJSA-N 1 0 278.352 2.604 50 0 CFAARO CCc1sc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1C ZINC000289160134 197249896 /nfs/dbraw/zinc/24/98/96/197249896.db2.gz GXVJSBUTQLQBDU-MRXNPFEDSA-N 1 0 292.448 2.835 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)nc1 ZINC000645077816 385176432 /nfs/dbraw/zinc/17/64/32/385176432.db2.gz HEGWZEBJZVHQMJ-CQSZACIVSA-N 1 0 270.380 2.747 50 0 CFAARO CN(C)[C@@H]1CCC[N@H+](Cc2cccc3cc[nH]c32)C1 ZINC000271162554 385357660 /nfs/dbraw/zinc/35/76/60/385357660.db2.gz QNCMDHHFODENMW-OAHLLOKOSA-N 1 0 257.381 2.694 50 0 CFAARO C[N@H+](CCc1cccs1)[C@H]1Cc2ccccc2[C@H]1O ZINC000271901298 385396764 /nfs/dbraw/zinc/39/67/64/385396764.db2.gz GVFKIVFMTIHTFR-JKSUJKDBSA-N 1 0 273.401 2.881 50 0 CFAARO OC1(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000162597167 285240588 /nfs/dbraw/zinc/24/05/88/285240588.db2.gz RJDJLNDPZRNWSN-SJORKVTESA-N 1 0 289.419 2.844 50 0 CFAARO COC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000221860639 285273064 /nfs/dbraw/zinc/27/30/64/285273064.db2.gz WRLCGEFUOINNKD-GDBMZVCRSA-N 1 0 291.391 2.568 50 0 CFAARO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000097370989 285289307 /nfs/dbraw/zinc/28/93/07/285289307.db2.gz YVIHVRGHTQYCSH-NJZAAPMLSA-N 1 0 277.339 2.566 50 0 CFAARO CCOC(=O)N1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000000279791 259999461 /nfs/dbraw/zinc/99/94/61/259999461.db2.gz RIOABTFIOCQRDS-STQMWFEESA-N 1 0 268.401 2.585 50 0 CFAARO C(C[NH+]1CCC(OC2CCCC2)CC1)OC[C@@H]1CCCO1 ZINC000096421096 256789259 /nfs/dbraw/zinc/78/92/59/256789259.db2.gz DJASWXQUBRBOPI-KRWDZBQOSA-N 1 0 297.439 2.606 50 0 CFAARO CCc1cccc2c1N(C(=O)[C@@H]([NH3+])c1ccccc1)CC2 ZINC000095972163 256881428 /nfs/dbraw/zinc/88/14/28/256881428.db2.gz XIWAFKPRUOEQMH-INIZCTEOSA-N 1 0 280.371 2.838 50 0 CFAARO C[C@@H](c1cccc(-c2ccc(=O)n(C)n2)c1)[NH+]1CCCC1 ZINC000096137473 256883340 /nfs/dbraw/zinc/88/33/40/256883340.db2.gz LOBDVJKHFBXQBA-ZDUSSCGKSA-N 1 0 283.375 2.604 50 0 CFAARO Cc1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)s1 ZINC000093646099 184700774 /nfs/dbraw/zinc/70/07/74/184700774.db2.gz KMWVRYPEVBASEE-UHFFFAOYSA-N 1 0 262.382 2.554 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](CC[C@H]1CCOC1)CC2 ZINC000095366565 184954559 /nfs/dbraw/zinc/95/45/59/184954559.db2.gz POIYVOXQZMNEAJ-AWEZNQCLSA-N 1 0 275.392 2.522 50 0 CFAARO CCC(CC)C[NH2+]Cc1ccc(S(C)(=O)=O)c(C)c1 ZINC000095434112 184983432 /nfs/dbraw/zinc/98/34/32/184983432.db2.gz UIYLXYJQUVZMDW-UHFFFAOYSA-N 1 0 283.437 2.924 50 0 CFAARO COCC1(C)CC[NH+](Cc2nc(C)cs2)CC1 ZINC000095459560 184992833 /nfs/dbraw/zinc/99/28/33/184992833.db2.gz QAVNQABJJFZCLC-UHFFFAOYSA-N 1 0 254.399 2.700 50 0 CFAARO C[C@@H]([NH2+]Cc1ccnc(Br)c1)[C@@H]1CCCOC1 ZINC000408518055 533462705 /nfs/dbraw/zinc/46/27/05/533462705.db2.gz SMQIGNWGCCKBTG-ZYHUDNBSSA-N 1 0 299.212 2.749 50 0 CFAARO COc1cc(C)c(C[N@H+](C)C2CCOCC2)cc1C ZINC000097743040 533568403 /nfs/dbraw/zinc/56/84/03/533568403.db2.gz DPOBJGHAZHDTLM-UHFFFAOYSA-N 1 0 263.381 2.923 50 0 CFAARO C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccco1 ZINC000096476325 533625162 /nfs/dbraw/zinc/62/51/62/533625162.db2.gz OTFAWDSTSPBOAS-CYBMUJFWSA-N 1 0 264.369 2.550 50 0 CFAARO Cc1[nH]ccc1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000175876069 533645993 /nfs/dbraw/zinc/64/59/93/533645993.db2.gz VHIONLQCSOMSTN-INIZCTEOSA-N 1 0 285.391 2.664 50 0 CFAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1C ZINC000020560850 542642679 /nfs/dbraw/zinc/64/26/79/542642679.db2.gz XYJWJMNIRLYLTQ-CQSZACIVSA-N 1 0 287.411 2.623 50 0 CFAARO C[C@H](NC(=O)C1([NH3+])CC1)c1cccc(Cl)c1Cl ZINC000237547990 131040879 /nfs/dbraw/zinc/04/08/79/131040879.db2.gz MQCROKHAPZKYGI-ZETCQYMHSA-N 1 0 273.163 2.662 50 0 CFAARO c1cn(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@H]43)cc2)cn1 ZINC000245338713 131085658 /nfs/dbraw/zinc/08/56/58/131085658.db2.gz NZJMBOSCGSHZHF-SJORKVTESA-N 1 0 283.375 2.626 50 0 CFAARO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000269213398 132133058 /nfs/dbraw/zinc/13/30/58/132133058.db2.gz IUAIFQMJLHDHSC-HACGYAERSA-N 1 0 290.382 2.530 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000269288141 132149683 /nfs/dbraw/zinc/14/96/83/132149683.db2.gz SXUPTQXTIAZSII-ZCDTZLGTSA-N 1 0 290.382 2.515 50 0 CFAARO c1ccc2c(c1)C[C@@H](C[NH2+]C1CSCCSC1)CO2 ZINC000095524487 285514324 /nfs/dbraw/zinc/51/43/24/285514324.db2.gz BPOFICDASSKJIH-LBPRGKRZSA-N 1 0 295.473 2.676 50 0 CFAARO C[NH+](C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1 ZINC000002525885 393454204 /nfs/dbraw/zinc/45/42/04/393454204.db2.gz KYYIDSXMWOZKMP-HNNXBMFYSA-N 1 0 263.381 2.733 50 0 fda CFAARO CC(C)CO[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000040520870 393542834 /nfs/dbraw/zinc/54/28/34/393542834.db2.gz MABZHSKZPRCYRE-STQMWFEESA-N 1 0 298.452 2.528 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+]CCCc2ccncc2)cc1C ZINC000065528607 393631816 /nfs/dbraw/zinc/63/18/16/393631816.db2.gz KUHKKCGNDKEQSF-UHFFFAOYSA-N 1 0 297.402 2.859 50 0 CFAARO CCc1ccc(CNC(=O)CC[C@H](C)[NH+]2CCCC2)nc1 ZINC000222269822 393762912 /nfs/dbraw/zinc/76/29/12/393762912.db2.gz IGEITVHWKFOFIZ-AWEZNQCLSA-N 1 0 289.423 2.525 50 0 CFAARO OC[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000218899578 393759258 /nfs/dbraw/zinc/75/92/58/393759258.db2.gz HCSUCLBRKZHRTF-ZDUSSCGKSA-N 1 0 274.389 2.767 50 0 CFAARO CC(C)c1ccc([C@@H](C)[N@@H+]2CCCN(C(N)=O)CC2)cc1 ZINC000096501971 393834720 /nfs/dbraw/zinc/83/47/20/393834720.db2.gz NWSNLKFCOBAPNK-CQSZACIVSA-N 1 0 289.423 2.957 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1cccs1)CCC2 ZINC000089702136 393769124 /nfs/dbraw/zinc/76/91/24/393769124.db2.gz RAHFEHQTRYLIBR-LBPRGKRZSA-N 1 0 261.394 2.920 50 0 CFAARO CCOC[C@@H]1CCC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000093419283 393798621 /nfs/dbraw/zinc/79/86/21/393798621.db2.gz FFEIMICWGSUBMK-OAHLLOKOSA-N 1 0 287.407 2.891 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]C1CCSCC1)CCC2 ZINC000095402075 393811567 /nfs/dbraw/zinc/81/15/67/393811567.db2.gz FJGVTKZCEHVHIB-LBPRGKRZSA-N 1 0 265.426 2.554 50 0 CFAARO Cc1n[nH]cc1C[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095522731 393813019 /nfs/dbraw/zinc/81/30/19/393813019.db2.gz QYPLVBXOVZSWDT-AWEZNQCLSA-N 1 0 285.391 2.791 50 0 CFAARO Cc1ccc(CNC2CC[NH+](C)CC2)c(Br)c1 ZINC000095973511 393814754 /nfs/dbraw/zinc/81/47/54/393814754.db2.gz UQPLYSMFHBAGKA-UHFFFAOYSA-N 1 0 297.240 2.941 50 0 CFAARO c1ccc(SCC[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000096410320 393824049 /nfs/dbraw/zinc/82/40/49/393824049.db2.gz XGBCLKIRBGUILM-AWEZNQCLSA-N 1 0 293.432 2.864 50 0 CFAARO C(C[N@@H+]1CCCN(C2CCOCC2)CC1)C1CCCC1 ZINC000096424483 393829864 /nfs/dbraw/zinc/82/98/64/393829864.db2.gz OMRGPMUQDVNNFR-UHFFFAOYSA-N 1 0 280.456 2.753 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(OC(F)F)cc1 ZINC000246589478 393876448 /nfs/dbraw/zinc/87/64/48/393876448.db2.gz ZGXDTOVDBZMQAX-ZWKOPEQDSA-N 1 0 271.307 2.852 50 0 CFAARO CC1(C)Cc2cccc(C[NH2+][C@H]3CCc4n[nH]cc4C3)c2O1 ZINC000119344184 393918135 /nfs/dbraw/zinc/91/81/35/393918135.db2.gz IKHBUZIAKRVNDQ-HNNXBMFYSA-N 1 0 297.402 2.770 50 0 CFAARO Cc1ccccc1Cn1c[n+](CCc2ccccc2)cn1 ZINC000252496438 393936081 /nfs/dbraw/zinc/93/60/81/393936081.db2.gz PIEJWNOUQIPQBE-UHFFFAOYSA-N 1 0 278.379 2.770 50 0 CFAARO CC(C)N(Cc1cn(C)nn1)[C@H](C)c1ccccc1 ZINC000428864321 393919713 /nfs/dbraw/zinc/91/97/13/393919713.db2.gz SWOAANNWFIGPDL-CYBMUJFWSA-N 1 0 258.369 2.787 50 0 CFAARO CSC1(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000367382208 394255165 /nfs/dbraw/zinc/25/51/65/394255165.db2.gz QWQLWVXEAULQDG-OAHLLOKOSA-N 1 0 276.449 2.871 50 0 CFAARO C[C@H]1CN(C(=O)CCc2ccc(Cl)s2)C[C@H](C)[NH2+]1 ZINC000153531829 394285606 /nfs/dbraw/zinc/28/56/06/394285606.db2.gz LIYZLANDFXWLLE-UWVGGRQHSA-N 1 0 286.828 2.543 50 0 CFAARO CN(Cc1cc2ccccc2o1)C(=O)C1(C[NH3+])CCCC1 ZINC000170048985 394371237 /nfs/dbraw/zinc/37/12/37/394371237.db2.gz SEJKXRVRMOXWOU-UHFFFAOYSA-N 1 0 286.375 2.910 50 0 CFAARO COc1ccc([C@@H](Cc2ccccc2)[C@@H](C[NH3+])CO)cc1 ZINC000524734038 394381845 /nfs/dbraw/zinc/38/18/45/394381845.db2.gz QBOGGFBEPLHVAD-FUHWJXTLSA-N 1 0 285.387 2.589 50 0 CFAARO Fc1ccc(F)c(N2CCN(Cc3ccccn3)CC2)c1 ZINC000089883727 135060857 /nfs/dbraw/zinc/06/08/57/135060857.db2.gz OFOVVKRERABZHP-UHFFFAOYSA-N 1 0 289.329 2.682 50 0 CFAARO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000047298355 397584799 /nfs/dbraw/zinc/58/47/99/397584799.db2.gz XFASWBDYVSDHCO-HNNXBMFYSA-N 1 0 290.382 2.564 50 0 CFAARO [NH3+]C[C@H]1CCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426359644 397573340 /nfs/dbraw/zinc/57/33/40/397573340.db2.gz OYIJVTWKBPOEKC-SNVBAGLBSA-N 1 0 263.772 2.602 50 0 CFAARO CN1CCC[C@@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1=O ZINC000012072458 397537983 /nfs/dbraw/zinc/53/79/83/397537983.db2.gz TVPBRNLWOJIDEC-INIZCTEOSA-N 1 0 292.810 2.784 50 0 CFAARO COC[C@@H]1CCC[N@H+](C[C@H](C)n2cnc3ccccc32)C1 ZINC000104642166 397596236 /nfs/dbraw/zinc/59/62/36/397596236.db2.gz QTJRTZZZOZKBGA-LSDHHAIUSA-N 1 0 287.407 2.956 50 0 CFAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000108119151 397598069 /nfs/dbraw/zinc/59/80/69/397598069.db2.gz PAPBWLBFFVLBHD-ZIAGYGMSSA-N 1 0 288.439 2.695 50 0 CFAARO Cc1nc[nH]c1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000825277410 782008944 /nfs/dbraw/zinc/00/89/44/782008944.db2.gz LJCQCGVFBPOTSK-UHFFFAOYSA-N 1 0 270.380 2.568 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCCC1(C)C)C(=O)Nc1nccs1 ZINC000191293465 287066807 /nfs/dbraw/zinc/06/68/07/287066807.db2.gz VVAPRPSRSMZULM-ZJUUUORDSA-N 1 0 267.398 2.638 50 0 CFAARO CCOP(=O)(CCC[NH+](CC)CC)OCC ZINC000002904946 169843716 /nfs/dbraw/zinc/84/37/16/169843716.db2.gz OCKNQNYVCLPHCI-UHFFFAOYSA-N 1 0 251.307 2.984 50 0 CFAARO Cc1cccc(C)c1OCCOCC[NH2+]C(C)C ZINC000002975025 169846590 /nfs/dbraw/zinc/84/65/90/169846590.db2.gz PVFFZZLFEQIPMJ-UHFFFAOYSA-N 1 0 251.370 2.697 50 0 CFAARO O[C@H](COCc1cccs1)C[NH+]1CCCCCC1 ZINC000003264578 169873657 /nfs/dbraw/zinc/87/36/57/169873657.db2.gz YGFIQIOMLFMCKG-ZDUSSCGKSA-N 1 0 269.410 2.502 50 0 CFAARO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C)CC1 ZINC000004718020 170004554 /nfs/dbraw/zinc/00/45/54/170004554.db2.gz IRPVWJATQJJTSH-CQSZACIVSA-N 1 0 272.392 2.696 50 0 CFAARO C[C@H](O)C[NH2+]CCOc1ccc2ccccc2c1Cl ZINC000004833183 170026043 /nfs/dbraw/zinc/02/60/43/170026043.db2.gz JJVQJJAASQFFJI-NSHDSACASA-N 1 0 279.767 2.842 50 0 CFAARO C[C@@H](O)C[NH2+]CCOc1ccc2ccccc2c1Cl ZINC000004833184 170026142 /nfs/dbraw/zinc/02/61/42/170026142.db2.gz JJVQJJAASQFFJI-LLVKDONJSA-N 1 0 279.767 2.842 50 0 CFAARO CC(C)Oc1ccc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc1 ZINC000004842356 170028356 /nfs/dbraw/zinc/02/83/56/170028356.db2.gz LDEBHZYOXTUQCH-YTBHAWNYSA-N 1 0 273.376 2.901 50 0 CFAARO CCOc1cc(C[NH2+]CCO)c(Cl)cc1OC(C)C ZINC000004868368 170034079 /nfs/dbraw/zinc/03/40/79/170034079.db2.gz QRZWTSPPPSLNJV-UHFFFAOYSA-N 1 0 287.787 2.608 50 0 CFAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(F)c(F)c1 ZINC000004968561 170046998 /nfs/dbraw/zinc/04/69/98/170046998.db2.gz WDDODNRGPOEYAM-UHFFFAOYSA-N 1 0 268.307 2.779 50 0 CFAARO Fc1ccc(C[NH2+]CCCSc2ncccn2)cc1 ZINC000004984070 170048858 /nfs/dbraw/zinc/04/88/58/170048858.db2.gz CAWYHPSBJKSMKE-UHFFFAOYSA-N 1 0 277.368 2.888 50 0 CFAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000005219180 170077007 /nfs/dbraw/zinc/07/70/07/170077007.db2.gz NTTXUYBGMSYHFV-MRXNPFEDSA-N 1 0 274.364 2.696 50 0 CFAARO C[NH+](C)CCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000005325163 170085772 /nfs/dbraw/zinc/08/57/72/170085772.db2.gz ZSNCQRZIKWHQBX-UHFFFAOYSA-N 1 0 279.771 2.503 50 0 CFAARO COc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000005674914 170126858 /nfs/dbraw/zinc/12/68/58/170126858.db2.gz PSKNANIPKWZEDL-OAHLLOKOSA-N 1 0 293.407 2.699 50 0 CFAARO COc1ccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000005722063 170133198 /nfs/dbraw/zinc/13/31/98/170133198.db2.gz OXMWHERAWFMKDW-ZNMIVQPWSA-N 1 0 293.407 2.698 50 0 CFAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1 ZINC000006432382 170201089 /nfs/dbraw/zinc/20/10/89/170201089.db2.gz WUSJXFUVDVFZLS-OAHLLOKOSA-N 1 0 284.359 2.847 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000007636288 170294351 /nfs/dbraw/zinc/29/43/51/170294351.db2.gz YFADKVPPSMOCDV-MRXNPFEDSA-N 1 0 277.408 2.999 50 0 CFAARO Cc1nc(CNCc2ccc(C[NH+](C)C)cc2)cs1 ZINC000007736229 170299627 /nfs/dbraw/zinc/29/96/27/170299627.db2.gz GRAMFZWXLPTEDT-UHFFFAOYSA-N 1 0 275.421 2.803 50 0 CFAARO COCC[C@H]([NH2+]CCO)c1ccc(Cl)c(Cl)c1 ZINC000284356469 196037163 /nfs/dbraw/zinc/03/71/63/196037163.db2.gz DDPRVKBSWMNEMK-LBPRGKRZSA-N 1 0 278.179 2.653 50 0 CFAARO CCCCOC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000008844774 170357334 /nfs/dbraw/zinc/35/73/34/170357334.db2.gz YSFRYRBWSCCMKY-ZDUSSCGKSA-N 1 0 259.434 2.968 50 0 CFAARO Cc1csc2nc(C[NH+]3CCCCCCC3)cc(=O)n12 ZINC000009254079 170368765 /nfs/dbraw/zinc/36/87/65/170368765.db2.gz FZQZPLVOVPWVHU-UHFFFAOYSA-N 1 0 291.420 2.831 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH2+]Cc2ccco2)ccc1Cl ZINC000009970650 170392587 /nfs/dbraw/zinc/39/25/87/170392587.db2.gz OESMPHAWTODMIG-GFCCVEGCSA-N 1 0 295.766 2.771 50 0 CFAARO COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000012383432 170482923 /nfs/dbraw/zinc/48/29/23/170482923.db2.gz NRQSMLWHXBQLBA-XJKSGUPXSA-N 1 0 263.381 2.785 50 0 CFAARO Cc1cccc(NC(=O)NCCC[NH+]2CCCCC2)c1 ZINC000014236114 170627390 /nfs/dbraw/zinc/62/73/90/170627390.db2.gz MSUNCQGBPOECAM-UHFFFAOYSA-N 1 0 275.396 2.993 50 0 CFAARO Cc1ccc(COC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000016578583 170702336 /nfs/dbraw/zinc/70/23/36/170702336.db2.gz CTVNKDWSXDCUMW-JFIYKMOQSA-N 1 0 291.435 2.850 50 0 CFAARO CN1CCC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000019537205 170826596 /nfs/dbraw/zinc/82/65/96/170826596.db2.gz LBYSAHLSOCYWOF-UHFFFAOYSA-N 1 0 254.377 2.977 50 0 CFAARO COc1ccc(CC[C@H](C)[N@H+](C)CCN(C)C)cc1 ZINC000019636667 170832991 /nfs/dbraw/zinc/83/29/91/170832991.db2.gz HAZUIYBYHVIOTO-AWEZNQCLSA-N 1 0 264.413 2.510 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccncc2)cc1OC ZINC000020140459 171027294 /nfs/dbraw/zinc/02/72/94/171027294.db2.gz IQKFAGDMHIHGOL-ZDUSSCGKSA-N 1 0 286.375 2.820 50 0 CFAARO COc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000020221655 171082939 /nfs/dbraw/zinc/08/29/39/171082939.db2.gz KWEOPFDILWIDDB-SNVBAGLBSA-N 1 0 255.745 2.727 50 0 CFAARO Clc1ccc(SCCCN2CC[NH2+]CC2)cc1 ZINC000020272573 171127507 /nfs/dbraw/zinc/12/75/07/171127507.db2.gz UZXFNYIGCRABIJ-UHFFFAOYSA-N 1 0 270.829 2.727 50 0 CFAARO Fc1cccc(-c2ccc(CN3CC[NH2+]CC3)s2)c1 ZINC000020282689 171132642 /nfs/dbraw/zinc/13/26/42/171132642.db2.gz NBPPEKAUGDVWRK-UHFFFAOYSA-N 1 0 276.380 2.959 50 0 CFAARO Fc1ccccc1-c1ccc(CN2CC[NH2+]CC2)s1 ZINC000020281470 171132918 /nfs/dbraw/zinc/13/29/18/171132918.db2.gz MAFYHQLPVBHQDK-UHFFFAOYSA-N 1 0 276.380 2.959 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020476877 171221247 /nfs/dbraw/zinc/22/12/47/171221247.db2.gz OOKIPXSHAWRULY-OAHLLOKOSA-N 1 0 294.826 2.923 50 0 CFAARO Brc1ccc(OCCC[NH2+]C2CC2)cc1 ZINC000020525171 171238117 /nfs/dbraw/zinc/23/81/17/171238117.db2.gz XFCOUGAEHQUTNI-UHFFFAOYSA-N 1 0 270.170 2.970 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000020573074 171255497 /nfs/dbraw/zinc/25/54/97/171255497.db2.gz RXKVMYQGUBFFJG-UHFFFAOYSA-N 1 0 287.407 2.781 50 0 CFAARO c1ccc(C[N@@H+]2CC[C@@H](Nc3cccnc3)C2)cc1 ZINC000020595765 171264591 /nfs/dbraw/zinc/26/45/91/171264591.db2.gz DJGWRASYZQYGLL-MRXNPFEDSA-N 1 0 253.349 2.768 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000020927916 171280228 /nfs/dbraw/zinc/28/02/28/171280228.db2.gz LGCPURRMYKWZHM-NSHDSACASA-N 1 0 255.745 2.617 50 0 CFAARO CCCOc1ccc(C[NH2+]CCN(C)C)cc1Cl ZINC000020967404 171282354 /nfs/dbraw/zinc/28/23/54/171282354.db2.gz NDYSFNCFNOWRLY-UHFFFAOYSA-N 1 0 270.804 2.780 50 0 CFAARO c1cc([C@H]2CCC[N@@H+](Cc3cccc4c3OCO4)C2)n[nH]1 ZINC000020992247 171283838 /nfs/dbraw/zinc/28/38/38/171283838.db2.gz BVJMONLBXWTBKK-LBPRGKRZSA-N 1 0 285.347 2.518 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccn1)c1ccccc1 ZINC000022752124 171397354 /nfs/dbraw/zinc/39/73/54/171397354.db2.gz XYWNTULSNWHVCC-QGZVFWFLSA-N 1 0 297.402 2.895 50 0 CFAARO COc1cccc2cc(C[NH2+][C@@H](C)Cn3cccn3)oc21 ZINC000035272282 172092753 /nfs/dbraw/zinc/09/27/53/172092753.db2.gz NVPKDRAUAJIHOI-LBPRGKRZSA-N 1 0 285.347 2.816 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cc2ccccc2o1 ZINC000035272293 172092926 /nfs/dbraw/zinc/09/29/26/172092926.db2.gz GXCXDHMZQPFFPX-LBPRGKRZSA-N 1 0 255.321 2.808 50 0 CFAARO Cc1cc([C@H](C)[NH2+]CCc2nc(C)c(C)s2)no1 ZINC000285300434 196244772 /nfs/dbraw/zinc/24/47/72/196244772.db2.gz RZPUTUIAWYMYOT-JTQLQIEISA-N 1 0 265.382 2.950 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000651927694 413718073 /nfs/dbraw/zinc/71/80/73/413718073.db2.gz CSQORLVQQUZHDB-AWEZNQCLSA-N 1 0 266.410 2.746 50 0 CFAARO CNC(=O)c1cccc(C[NH2+][C@H](C)C(C)(C)C(F)F)c1 ZINC000657849262 413999912 /nfs/dbraw/zinc/99/99/12/413999912.db2.gz FDNQRRNNFOXVBV-SNVBAGLBSA-N 1 0 284.350 2.816 50 0 CFAARO O=C(C[NH2+]CC1CCC1)Nc1ccccc1Cl ZINC000037180630 173012705 /nfs/dbraw/zinc/01/27/05/173012705.db2.gz LUKLVRANDCZGDB-UHFFFAOYSA-N 1 0 252.745 2.668 50 0 CFAARO Brc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000038580770 174148099 /nfs/dbraw/zinc/14/80/99/174148099.db2.gz FAGHCQBPMAMGDL-SECBINFHSA-N 1 0 256.143 2.580 50 0 CFAARO Fc1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580882 174148803 /nfs/dbraw/zinc/14/88/03/174148803.db2.gz RICQKZNXLZRCNN-VIFPVBQESA-N 1 0 288.160 2.967 50 0 CFAARO CC(C)(C)CN1CC[N@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039509390 174169370 /nfs/dbraw/zinc/16/93/70/174169370.db2.gz OGYSBXYIQUDCJG-QGZVFWFLSA-N 1 0 296.499 2.981 50 0 CFAARO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000039985796 174181842 /nfs/dbraw/zinc/18/18/42/174181842.db2.gz JGXQUBWGDFGNCM-CQSZACIVSA-N 1 0 262.397 2.822 50 0 CFAARO CCC[NH+]1CCC(NC(=O)CCc2ccccc2F)CC1 ZINC000039984974 174181999 /nfs/dbraw/zinc/18/19/99/174181999.db2.gz YMDXEERWOLTIKS-UHFFFAOYSA-N 1 0 292.398 2.749 50 0 CFAARO CCc1ccc(CCC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000040025520 174183564 /nfs/dbraw/zinc/18/35/64/174183564.db2.gz MKUQEFFZGAAOSZ-UHFFFAOYSA-N 1 0 290.451 2.886 50 0 CFAARO CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000040120320 174193085 /nfs/dbraw/zinc/19/30/85/174193085.db2.gz DJQHEPRIZRJBTA-KRWDZBQOSA-N 1 0 286.419 2.836 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@]23c2ccccc2NC3=O)cc1 ZINC000040312593 174231765 /nfs/dbraw/zinc/23/17/65/174231765.db2.gz NGFAHQNBKATQCJ-WMZOPIPTSA-N 1 0 294.354 2.620 50 0 CFAARO Oc1cccc(C[NH2+]Cc2ccccc2-n2cccn2)c1 ZINC000040495470 174294288 /nfs/dbraw/zinc/29/42/88/174294288.db2.gz YRZUTAIIGTUTFF-UHFFFAOYSA-N 1 0 279.343 2.868 50 0 CFAARO CC[C@H](C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040498965 174295862 /nfs/dbraw/zinc/29/58/62/174295862.db2.gz RMOGPGTUBUZGIC-CMPLNLGQSA-N 1 0 254.399 2.513 50 0 CFAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000040513558 174305769 /nfs/dbraw/zinc/30/57/69/174305769.db2.gz YMADLJHYTNWWMW-NSHDSACASA-N 1 0 293.798 2.946 50 0 CFAARO CC[C@H](CNC(=O)c1sccc1C)[NH+]1CCCC1 ZINC000040522388 174311130 /nfs/dbraw/zinc/31/11/30/174311130.db2.gz GPHGANJWDRQUDZ-GFCCVEGCSA-N 1 0 266.410 2.661 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C[C@H](C)O ZINC000040743938 174391307 /nfs/dbraw/zinc/39/13/07/174391307.db2.gz IXJFXIAROUZVSA-JTQLQIEISA-N 1 0 257.761 2.598 50 0 CFAARO OCCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000040744134 174391555 /nfs/dbraw/zinc/39/15/55/174391555.db2.gz WEEFFNSNLFQAED-UHFFFAOYSA-N 1 0 263.312 2.948 50 0 CFAARO Brc1cccc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043324237 175006338 /nfs/dbraw/zinc/00/63/38/175006338.db2.gz XYCSVEITIBYJMS-LLVKDONJSA-N 1 0 255.159 2.613 50 0 CFAARO Cc1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000045945481 175388185 /nfs/dbraw/zinc/38/81/85/175388185.db2.gz AOFIYZUZDONRBE-UHFFFAOYSA-N 1 0 256.349 2.949 50 0 CFAARO CC(C)=CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239057 175394957 /nfs/dbraw/zinc/39/49/57/175394957.db2.gz XRHJODLRNXRYQI-UHFFFAOYSA-N 1 0 272.392 2.517 50 0 CFAARO CC(C)(C)[NH2+]CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000048324824 175427221 /nfs/dbraw/zinc/42/72/21/175427221.db2.gz VMQLEVBMJLRQSX-UHFFFAOYSA-N 1 0 288.313 2.710 50 0 CFAARO Cc1cc2n(n1)C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)CN2 ZINC000058381151 175622070 /nfs/dbraw/zinc/62/20/70/175622070.db2.gz PNMNEOPWTUXSCD-KSSFIOAISA-N 1 0 296.418 2.974 50 0 CFAARO C[NH2+][C@H](C(=O)c1ccccc1)[C@H](OC)c1ccccc1 ZINC000059866363 175634421 /nfs/dbraw/zinc/63/44/21/175634421.db2.gz UZMATHAVBHQGGQ-NVXWUHKLSA-N 1 0 269.344 2.845 50 0 CFAARO CC(=O)Nc1ccc(-c2ccccc2CC[NH3+])cc1 ZINC000067975741 175805606 /nfs/dbraw/zinc/80/56/06/175805606.db2.gz JHOAVHXYSJEUCM-UHFFFAOYSA-N 1 0 254.333 2.813 50 0 CFAARO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000068577478 175811570 /nfs/dbraw/zinc/81/15/70/175811570.db2.gz BCUFIZDAINPDHF-LSDHHAIUSA-N 1 0 276.380 2.786 50 0 CFAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000069772827 175852722 /nfs/dbraw/zinc/85/27/22/175852722.db2.gz BBMHDZOZLOFFKC-CYBMUJFWSA-N 1 0 298.415 2.906 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000071143288 176040705 /nfs/dbraw/zinc/04/07/05/176040705.db2.gz TZAIKNPDQIRNEV-VIFPVBQESA-N 1 0 287.190 2.675 50 0 CFAARO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000071376011 176141302 /nfs/dbraw/zinc/14/13/02/176141302.db2.gz ADQVPTVCHMSGJQ-HUUCEWRRSA-N 1 0 274.408 2.822 50 0 CFAARO Cc1noc(-c2ccc(-c3cccc4c3CC[NH2+]C4)nc2)n1 ZINC000071439889 176170280 /nfs/dbraw/zinc/17/02/80/176170280.db2.gz ZZIZRBNABFPSMA-UHFFFAOYSA-N 1 0 292.342 2.753 50 0 CFAARO CC[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071746485 176257910 /nfs/dbraw/zinc/25/79/10/176257910.db2.gz SAISRPOALMAIFK-MRXNPFEDSA-N 1 0 292.398 2.905 50 0 CFAARO Nc1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)ncn1 ZINC000071750255 176259773 /nfs/dbraw/zinc/25/97/73/176259773.db2.gz IOBWDIHIENKXLM-CQSZACIVSA-N 1 0 298.390 2.506 50 0 CFAARO CCC(CC)CC(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000071761070 176261412 /nfs/dbraw/zinc/26/14/12/176261412.db2.gz QSLCGVUICZLQOV-ZDUSSCGKSA-N 1 0 266.429 2.898 50 0 CFAARO C[C@@H]1CCC[C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000071803447 176266645 /nfs/dbraw/zinc/26/66/45/176266645.db2.gz IJAAWNWLOOADRG-ZBFHGGJFSA-N 1 0 295.471 2.796 50 0 CFAARO O[C@H]1CCC[N@H+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000071804911 176267138 /nfs/dbraw/zinc/26/71/38/176267138.db2.gz LUADSEZKTGIBCY-AWEZNQCLSA-N 1 0 276.767 2.845 50 0 CFAARO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3C(C)C)nc12 ZINC000071828283 176272338 /nfs/dbraw/zinc/27/23/38/176272338.db2.gz OPKZJJFJMNBAPI-OAHLLOKOSA-N 1 0 285.391 2.623 50 0 CFAARO Cc1n[nH]c(C)c1CNC1CC[NH+](CC2CCCC2)CC1 ZINC000071842075 176274962 /nfs/dbraw/zinc/27/49/62/176274962.db2.gz PWEPCOWSQCLVOL-UHFFFAOYSA-N 1 0 290.455 2.771 50 0 CFAARO [NH3+]Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC000071867328 176282121 /nfs/dbraw/zinc/28/21/21/176282121.db2.gz LYWSEMAXLWKKLQ-UHFFFAOYSA-N 1 0 270.048 2.806 50 0 CFAARO COc1cccc(N2CC[C@@H](C[NH2+]Cc3ccco3)C2)c1 ZINC000071924603 176301775 /nfs/dbraw/zinc/30/17/75/176301775.db2.gz SQJWPKGTQJHELP-AWEZNQCLSA-N 1 0 286.375 2.904 50 0 CFAARO COc1ccc(OC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000072125447 176320509 /nfs/dbraw/zinc/32/05/09/176320509.db2.gz NFKFTJBCZKOLJS-CQSZACIVSA-N 1 0 291.391 2.575 50 0 CFAARO COc1ccc(OC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000072125446 176320584 /nfs/dbraw/zinc/32/05/84/176320584.db2.gz NFKFTJBCZKOLJS-AWEZNQCLSA-N 1 0 291.391 2.575 50 0 CFAARO O=c1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)cc[nH]1 ZINC000072138727 176322591 /nfs/dbraw/zinc/32/25/91/176322591.db2.gz GYTHNPCLFHDPCX-MRXNPFEDSA-N 1 0 298.386 2.822 50 0 CFAARO Cc1nnsc1C[N@@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000072162054 176329718 /nfs/dbraw/zinc/32/97/18/176329718.db2.gz PAFQPJAYPDZFCQ-BPNZPQAUSA-N 1 0 263.410 2.715 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000072161464 176329874 /nfs/dbraw/zinc/32/98/74/176329874.db2.gz MWRCWHYZEZDASI-GFCCVEGCSA-N 1 0 297.349 2.913 50 0 CFAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccsc3)C2)cc(=O)[nH]1 ZINC000072171462 176332841 /nfs/dbraw/zinc/33/28/41/176332841.db2.gz KJGWLHNGRXQEJB-CYBMUJFWSA-N 1 0 289.404 2.519 50 0 CFAARO Cc1cnn(CCC[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000072171393 176333296 /nfs/dbraw/zinc/33/32/96/176333296.db2.gz HHMFXRSOLUEIEL-INIZCTEOSA-N 1 0 270.380 2.814 50 0 CFAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072272802 176355086 /nfs/dbraw/zinc/35/50/86/176355086.db2.gz UXUSCXCCMLCGJF-OCCSQVGLSA-N 1 0 256.353 2.745 50 0 CFAARO CC(=O)N1CCC[N@H+](CCCc2ccc(Cl)cc2)CC1 ZINC000077247957 177239342 /nfs/dbraw/zinc/23/93/42/177239342.db2.gz DUJHGCUSAIPKQR-UHFFFAOYSA-N 1 0 294.826 2.827 50 0 CFAARO CC[N@@H+](Cc1ccno1)C[C@H](O)c1ccc(C)cc1 ZINC000072828555 260164595 /nfs/dbraw/zinc/16/45/95/260164595.db2.gz ODWLUECRUDWJBZ-HNNXBMFYSA-N 1 0 260.337 2.539 50 0 CFAARO O[C@@H](C(c1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000077028713 260295485 /nfs/dbraw/zinc/29/54/85/260295485.db2.gz VSYNDOLFWJVQNK-FUHWJXTLSA-N 1 0 267.372 2.931 50 0 CFAARO CC[NH+]1CCN(c2nc(C)nc3c4ccccc4oc32)CC1 ZINC000005156555 273666921 /nfs/dbraw/zinc/66/69/21/273666921.db2.gz NPQBBWDAQTUFEB-UHFFFAOYSA-N 1 0 296.374 2.826 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000095973393 274127292 /nfs/dbraw/zinc/12/72/92/274127292.db2.gz VNJAGSNRPJBAFT-CVEARBPZSA-N 1 0 275.392 2.711 50 0 CFAARO C[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H](C)O ZINC000000757486 274267054 /nfs/dbraw/zinc/26/70/54/274267054.db2.gz PFJLXTCPXDZCLR-AOOOYVTPSA-N 1 0 292.206 2.557 50 0 CFAARO Clc1cccc(Cl)c1CN[C@H]1CCC[NH2+]C1 ZINC000072203575 274883933 /nfs/dbraw/zinc/88/39/33/274883933.db2.gz WNQJCRHNHVUNGJ-VIFPVBQESA-N 1 0 259.180 2.835 50 0 CFAARO O=C1c2ccccc2C(=O)N1C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000002944516 275031237 /nfs/dbraw/zinc/03/12/37/275031237.db2.gz IJHKXSCEURLJGJ-BBRMVZONSA-N 1 0 298.386 2.547 50 0 CFAARO Brc1cccc(-c2csc3[n+]2CCN3)c1 ZINC000095918075 275373237 /nfs/dbraw/zinc/37/32/37/275373237.db2.gz JZTLOFSUWFDBFE-UHFFFAOYSA-O 1 0 282.186 2.891 50 0 CFAARO Brc1ccc(NN2CCCCC2)[nH+]c1 ZINC000095081446 275712528 /nfs/dbraw/zinc/71/25/28/275712528.db2.gz QIDUBVCDNAULRA-UHFFFAOYSA-N 1 0 256.147 2.657 50 0 CFAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(F)ccc1C ZINC000043277205 276117049 /nfs/dbraw/zinc/11/70/49/276117049.db2.gz WJCNOGYDPKPZHS-GFCCVEGCSA-N 1 0 281.375 2.986 50 0 CFAARO CCN(C[C@H]1CCCCO1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000299793268 276352603 /nfs/dbraw/zinc/35/26/03/276352603.db2.gz IFHDGHYFTSQJIQ-OAHLLOKOSA-N 1 0 291.395 2.568 50 0 CFAARO CCSCC[N@@H+]1CCC=C([C@H]2CCCCN2C(C)=O)C1 ZINC000065456942 276394786 /nfs/dbraw/zinc/39/47/86/276394786.db2.gz KTYRCCVFTMRDOY-MRXNPFEDSA-N 1 0 296.480 2.773 50 0 CFAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000096455610 276400842 /nfs/dbraw/zinc/40/08/42/276400842.db2.gz UZCMSMGTJXNRRK-GJZGRUSLSA-N 1 0 292.448 2.939 50 0 CFAARO CC(C)(C)[C@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069627803 277253817 /nfs/dbraw/zinc/25/38/17/277253817.db2.gz AUXNMCHUNKTRFJ-MRXNPFEDSA-N 1 0 282.472 2.591 50 0 CFAARO CC(C)CN1CCC[C@H]1C[NH2+][C@@H](C)C1CCOCC1 ZINC000090854041 277399062 /nfs/dbraw/zinc/39/90/62/277399062.db2.gz UCXJCNYHDPZORX-HOCLYGCPSA-N 1 0 268.445 2.512 50 0 CFAARO COc1cc2c(cc1OC)[C@H](Cc1ccc(O)cc1)[NH2+]CC2 ZINC000024717722 277855355 /nfs/dbraw/zinc/85/53/55/277855355.db2.gz NKBBUUNAVOMVER-INIZCTEOSA-N 1 0 299.370 2.839 50 0 CFAARO CC(C)(C)OC(=O)N1CCC2(CCC([NH3+])CC2)CC1 ZINC000066054932 278383582 /nfs/dbraw/zinc/38/35/82/278383582.db2.gz XLCNOLSVIODXPX-UHFFFAOYSA-N 1 0 268.401 2.905 50 0 CFAARO CC1=C[C@@H](C)C(=O)N(C[C@H](C)[NH+]2CCCC2)C(C)=C1 ZINC000001721919 278503913 /nfs/dbraw/zinc/50/39/13/278503913.db2.gz SJFGMTIVTZSZIV-HIFRSBDPSA-N 1 0 262.397 2.799 50 0 CFAARO CC(C)C[C@H](C)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000045769757 279102809 /nfs/dbraw/zinc/10/28/09/279102809.db2.gz PWEHIKPFADXMAN-ZDUSSCGKSA-N 1 0 288.391 2.649 50 0 CFAARO C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237599248 279132754 /nfs/dbraw/zinc/13/27/54/279132754.db2.gz SIEAAFCKJYVUHJ-VHDGCEQUSA-N 1 0 272.392 2.650 50 0 CFAARO C[C@H]([NH3+])C(=O)N1CCC[C@@H]1Cc1ccc2ccccc2c1 ZINC000095426487 279392097 /nfs/dbraw/zinc/39/20/97/279392097.db2.gz DPKSXBBGCUWHPO-SUMWQHHRSA-N 1 0 282.387 2.721 50 0 CFAARO Cc1c2cccc(C)c2[nH]c1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000067820761 280267667 /nfs/dbraw/zinc/26/76/67/280267667.db2.gz AQXCKHGZTRBRMN-MRXNPFEDSA-N 1 0 266.348 2.743 50 0 CFAARO c1ccc(C2(c3ccccc3)C[C@@H]2C2=[NH+]CCN2)cc1 ZINC000000000145 280478836 /nfs/dbraw/zinc/47/88/36/280478836.db2.gz IPOBOOXFSRWSHL-MRXNPFEDSA-N 1 0 262.356 2.994 50 0 in-man CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@]2(C)CCCO2)o1 ZINC000094797195 280578612 /nfs/dbraw/zinc/57/86/12/280578612.db2.gz ALYROPYJUZKNBL-HNNXBMFYSA-N 1 0 275.352 2.637 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc(C)c(Cl)c2)C1 ZINC000255026878 281084596 /nfs/dbraw/zinc/08/45/96/281084596.db2.gz QWLJLWBWWPQYMB-GEXIGZQTSA-N 1 0 292.810 2.730 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1cnn(C)c1)N(C)C)CC2 ZINC000095422648 281119983 /nfs/dbraw/zinc/11/99/83/281119983.db2.gz LZRHHLIRALFAPR-QZTJIDSGSA-N 1 0 298.434 2.608 50 0 CFAARO Cc1cc[n+]2cc(-c3ccc(C=O)cc3)n(C)c2c1 ZINC000000337596 281435903 /nfs/dbraw/zinc/43/59/03/281435903.db2.gz AFZPMTHGZUSRRC-UHFFFAOYSA-N 1 0 251.309 2.552 50 0 CFAARO Cc1csc2nc(C[NH+]3[C@@H](C)CCC[C@@H]3C)cc(=O)n12 ZINC000065479386 281752645 /nfs/dbraw/zinc/75/26/45/281752645.db2.gz SUPKGANDADDWPD-QWRGUYRKSA-N 1 0 291.420 2.827 50 0 CFAARO C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccccn1 ZINC000000000242 289171912 /nfs/dbraw/zinc/17/19/12/289171912.db2.gz HCFDWZZGGLSKEP-KRWDZBQOSA-N 1 0 270.376 2.923 50 0 fda CFAARO C[C@@]1(C[NH2+][C@@H]2CCCCC23CCCC3)CCC(=O)N1 ZINC000335223355 289174165 /nfs/dbraw/zinc/17/41/65/289174165.db2.gz YPDGTTDTZMXHOR-HIFRSBDPSA-N 1 0 264.413 2.748 50 0 CFAARO CN1C[C@@H]([NH2+][C@H]2CC(C)(C)Cc3occc32)CCC1=O ZINC000095968246 290278390 /nfs/dbraw/zinc/27/83/90/290278390.db2.gz CVSXWBFDWFDPHF-AAEUAGOBSA-N 1 0 276.380 2.504 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000069454087 293004226 /nfs/dbraw/zinc/00/42/26/293004226.db2.gz ZUNKISPTOVBZNX-OLZOCXBDSA-N 1 0 289.427 2.951 50 0 CFAARO Fc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)c(F)c1 ZINC000022125650 294748237 /nfs/dbraw/zinc/74/82/37/294748237.db2.gz FLARRGJTZCPWEX-KRWDZBQOSA-N 1 0 288.341 2.959 50 0 CFAARO C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccsc2S1 ZINC000095422835 300437432 /nfs/dbraw/zinc/43/74/32/300437432.db2.gz OJRXNHUYCJQIAE-HOSYDEDBSA-N 1 0 296.461 2.884 50 0 CFAARO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+](C)C)n1C(F)F ZINC000534591434 328318339 /nfs/dbraw/zinc/31/83/39/328318339.db2.gz MLBGVGCVGRVVPE-GFCCVEGCSA-N 1 0 287.354 2.508 50 0 CFAARO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+](C)C)n1C(F)F ZINC000534591435 328318353 /nfs/dbraw/zinc/31/83/53/328318353.db2.gz MLBGVGCVGRVVPE-LBPRGKRZSA-N 1 0 287.354 2.508 50 0 CFAARO COc1cc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)nc(N)n1 ZINC000534590696 328317823 /nfs/dbraw/zinc/31/78/23/328317823.db2.gz PBXNCHMSPVVGIK-LBPRGKRZSA-N 1 0 298.390 2.722 50 0 CFAARO Clc1ccc(C2(C[NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000534633021 328332273 /nfs/dbraw/zinc/33/22/73/328332273.db2.gz GCFIIRVASZOBSL-CYBMUJFWSA-N 1 0 251.757 2.750 50 0 CFAARO O=C1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)CCN1 ZINC000534648623 328343599 /nfs/dbraw/zinc/34/35/99/328343599.db2.gz LDOYNXMWWAXABY-LLVKDONJSA-N 1 0 278.783 2.587 50 0 CFAARO C[C@H](C(=O)NC1(c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000534655197 328339437 /nfs/dbraw/zinc/33/94/37/328339437.db2.gz NEOBMIAJSXYGKZ-GFCCVEGCSA-N 1 0 292.810 2.930 50 0 CFAARO C[C@@H](CCO)[NH2+]CC1(c2ccccc2F)CCCC1 ZINC000534655246 328339660 /nfs/dbraw/zinc/33/96/60/328339660.db2.gz RZHOGRIUYWFMLO-ZDUSSCGKSA-N 1 0 265.372 2.998 50 0 CFAARO O=C(NCCc1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000534667456 328345803 /nfs/dbraw/zinc/34/58/03/328345803.db2.gz VTEGTEDNENXYAI-QGZVFWFLSA-N 1 0 296.414 2.888 50 0 CFAARO COCC1(C[NH2+]C2CSCCSC2)CCCC1 ZINC000534675404 328356006 /nfs/dbraw/zinc/35/60/06/328356006.db2.gz KOQILJCCSXEMDS-UHFFFAOYSA-N 1 0 275.483 2.631 50 0 CFAARO O=C(Nc1cnc(-c2ccccc2)s1)C1CC[NH2+]CC1 ZINC000195555010 324108546 /nfs/dbraw/zinc/10/85/46/324108546.db2.gz MJUZDDMOTZAANR-UHFFFAOYSA-N 1 0 287.388 2.748 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1nnc2ccccn21 ZINC000195568442 324109113 /nfs/dbraw/zinc/10/91/13/324109113.db2.gz AURXDHXIJGTNIW-KBPBESRZSA-N 1 0 270.380 2.811 50 0 CFAARO C[N@@H+]1CC[C@H]2CN(Cc3ccc4c(c3)CC(C)(C)O4)C[C@H]21 ZINC000077421062 327132166 /nfs/dbraw/zinc/13/21/66/327132166.db2.gz HVUAJJCRUOGUDO-GOEBONIOSA-N 1 0 286.419 2.536 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[C@@H]([NH3+])C2 ZINC000095876167 327203352 /nfs/dbraw/zinc/20/33/52/327203352.db2.gz VFQDVULOICIHJT-RISCZKNCSA-N 1 0 254.374 2.515 50 0 CFAARO CCSC[C@H](C)[NH2+]CCc1nc2ccccc2[nH]1 ZINC000067872759 521716670 /nfs/dbraw/zinc/71/66/70/521716670.db2.gz PTWQQZKVARAWHR-NSHDSACASA-N 1 0 263.410 2.837 50 0 CFAARO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccncc1F ZINC000096451805 533870013 /nfs/dbraw/zinc/87/00/13/533870013.db2.gz WFHVKEIOFTUIRX-UHFFFAOYSA-N 1 0 287.338 2.843 50 0 CFAARO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000096476949 533978155 /nfs/dbraw/zinc/97/81/55/533978155.db2.gz MLAUCBIEPJLWHD-MNOVXSKESA-N 1 0 268.382 2.630 50 0 CFAARO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000096479377 533978811 /nfs/dbraw/zinc/97/88/11/533978811.db2.gz JDFOKOZGFBCKMX-MNOVXSKESA-N 1 0 289.828 2.814 50 0 CFAARO Cc1nc(C[N@@H+](C[C@H](C)O)C2CCCCC2)cs1 ZINC000120645223 534350708 /nfs/dbraw/zinc/35/07/08/534350708.db2.gz MXFBETZOQWZWFI-NSHDSACASA-N 1 0 268.426 2.967 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000067872342 520194275 /nfs/dbraw/zinc/19/42/75/520194275.db2.gz RCBDBQRKSBJTAA-GUNGLEHYSA-N 1 0 266.429 2.827 50 0 CFAARO CC/C=C(\C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000067872341 520194521 /nfs/dbraw/zinc/19/45/21/520194521.db2.gz 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/nfs/dbraw/zinc/93/93/33/617939333.db2.gz ALDVPIHLUBBLNN-JLJPHGGASA-N 1 0 291.391 2.660 50 0 CFAARO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSC(N)=[NH2+] ZINC000022015268 617939955 /nfs/dbraw/zinc/93/99/55/617939955.db2.gz UULDNRPGJFTOQX-MXWKQRLJSA-N 1 0 272.414 2.617 50 0 CFAARO CCN(CC[NH+](CC)CC)Cc1ccccc1F ZINC000022027578 617941270 /nfs/dbraw/zinc/94/12/70/617941270.db2.gz JKCCMPVWANFETI-UHFFFAOYSA-N 1 0 252.377 2.989 50 0 CFAARO COc1ccc(OCCOCC[NH+]2CCC(C)CC2)cc1 ZINC000002957386 618101541 /nfs/dbraw/zinc/10/15/41/618101541.db2.gz XCDFQQOHKHPUBE-UHFFFAOYSA-N 1 0 293.407 2.823 50 0 CFAARO CC[NH+](CC)CCN(C)Cc1cc(F)ccc1F ZINC000022455243 618184968 /nfs/dbraw/zinc/18/49/68/618184968.db2.gz XRSKGLZEMKPERO-UHFFFAOYSA-N 1 0 256.340 2.738 50 0 CFAARO CCc1noc([C@@H](C)N[C@H](C)Cc2ccc(C)cn2)n1 ZINC000020209026 618801154 /nfs/dbraw/zinc/80/11/54/618801154.db2.gz QKDKHIIQWPMDNY-VXGBXAGGSA-N 1 0 274.368 2.617 50 0 CFAARO CO[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000179750233 618855607 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O[C@@H]1CCC[N@H+](CCc2c[nH]c3ccccc23)CC1 ZINC000670449183 626408289 /nfs/dbraw/zinc/40/82/89/626408289.db2.gz WTEXVLBGGIXVES-CQSZACIVSA-N 1 0 258.365 2.557 50 0 CFAARO COC1([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)CCCC1 ZINC000817578403 632668859 /nfs/dbraw/zinc/66/88/59/632668859.db2.gz VOTRLEZALDDTCG-JSGCOSHPSA-N 1 0 283.437 2.893 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000863983141 637833284 /nfs/dbraw/zinc/83/32/84/637833284.db2.gz CITIMNDQHKMZOP-LAQFHYBYSA-N 1 0 287.407 2.605 50 0 CFAARO Cc1ccc2[nH+]ccc(N[C@H]3CCN(C)C(=O)C3)c2c1 ZINC000192856213 650603214 /nfs/dbraw/zinc/60/32/14/650603214.db2.gz MQCOOXWICHOMKX-LBPRGKRZSA-N 1 0 269.348 2.576 50 0 CFAARO COC[C@@H](C)N(Cc1[nH]cnc1C)Cc1cccc(F)c1 ZINC000952984395 650791964 /nfs/dbraw/zinc/79/19/64/650791964.db2.gz UTSPMNRQBVBYCU-GFCCVEGCSA-N 1 0 291.370 2.894 50 0 CFAARO COC1(OC)CC2(C[N@H+](Cc3cc(C)no3)[C@H]2C(C)C)C1 ZINC000877871604 643613522 /nfs/dbraw/zinc/61/35/22/643613522.db2.gz STJWNJCWBPLSBK-AWEZNQCLSA-N 1 0 294.395 2.593 50 0 CFAARO C[NH+](C)[C@H]1CN(c2ncccc2Cl)C[C@@H]1C1CC1 ZINC000091966674 650912788 /nfs/dbraw/zinc/91/27/88/650912788.db2.gz NDWLRMIWWLKCDT-YPMHNXCESA-N 1 0 265.788 2.511 50 0 CFAARO CN(Cc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000000237753 651102071 /nfs/dbraw/zinc/10/20/71/651102071.db2.gz IUHPZEKGUNBWDK-UHFFFAOYSA-N 1 0 252.789 2.866 50 0 CFAARO CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 ZINC000015003465 651184795 /nfs/dbraw/zinc/18/47/95/651184795.db2.gz GABCPZYCRVEBAE-AWEZNQCLSA-N 1 0 280.799 2.831 50 0 CFAARO OC1(c2ccccn2)CC[NH+](CCCc2ccco2)CC1 ZINC000020453652 651298998 /nfs/dbraw/zinc/29/89/98/651298998.db2.gz SHTDUDRDYPVMOE-UHFFFAOYSA-N 1 0 286.375 2.591 50 0 CFAARO C(C1CCCCC1)[C@@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000020774056 651300746 /nfs/dbraw/zinc/30/07/46/651300746.db2.gz ZGHJKJCNZUQEOW-MRXNPFEDSA-N 1 0 267.413 2.837 50 0 CFAARO C[NH+]1CCC(Oc2cc(C(F)(F)F)ccn2)CC1 ZINC000585654091 775251634 /nfs/dbraw/zinc/25/16/34/775251634.db2.gz CNCBDSVZMJSXJM-UHFFFAOYSA-N 1 0 260.259 2.573 50 0 CFAARO O=C(Nc1ccccn1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023478830 775449912 /nfs/dbraw/zinc/44/99/12/775449912.db2.gz YVWIVISBBGPGAS-JTQLQIEISA-N 1 0 273.361 2.820 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cccc(Cl)c2Cl)C1 ZINC000328596395 775754300 /nfs/dbraw/zinc/75/43/00/775754300.db2.gz MUAYERPIBZMMKC-YEZKRMTDSA-N 1 0 299.201 2.814 50 0 CFAARO CO[C@@H](C)c1ccc(-c2cccc(N3CC[NH2+]CC3)n2)cc1 ZINC000032523841 779023695 /nfs/dbraw/zinc/02/36/95/779023695.db2.gz HCVUBHMKIUJMBQ-AWEZNQCLSA-N 1 0 297.402 2.866 50 0 CFAARO Cc1cc(C)c(C[NH2+][C@H](CO)C(C)(C)C)c(C)c1CO ZINC000032576290 779064370 /nfs/dbraw/zinc/06/43/70/779064370.db2.gz KBILZPABZFPOPL-MRXNPFEDSA-N 1 0 279.424 2.601 50 0 CFAARO C=CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000709619555 781315939 /nfs/dbraw/zinc/31/59/39/781315939.db2.gz QPOFVZRQWYSCLL-INIZCTEOSA-N 1 0 272.392 2.733 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](CO)C(C)(C)C ZINC000200522041 781810022 /nfs/dbraw/zinc/81/00/22/781810022.db2.gz 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/nfs/dbraw/zinc/38/00/06/230380006.db2.gz FXNGIJUYEQBCHK-DOTOQJQBSA-N 1 0 271.360 2.634 50 0 CFAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(CO)c2)cc1 ZINC000096493936 230383577 /nfs/dbraw/zinc/38/35/77/230383577.db2.gz RQJBDZCBZMYZIC-RDTXWAMCSA-N 1 0 285.387 2.872 50 0 CFAARO O[C@@H](COC1C2CC3CC(C2)CC1C3)C[NH+]1CCCCC1 ZINC000000289785 230365871 /nfs/dbraw/zinc/36/58/71/230365871.db2.gz IWOXKQDSRLCHQE-SVXFNXITSA-N 1 0 293.451 2.675 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(F)c(F)c1 ZINC000095508414 185000442 /nfs/dbraw/zinc/00/04/42/185000442.db2.gz AUAJURVHPRPSGW-LLVKDONJSA-N 1 0 283.322 2.571 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(F)c(F)c1 ZINC000095508415 185000576 /nfs/dbraw/zinc/00/05/76/185000576.db2.gz AUAJURVHPRPSGW-NSHDSACASA-N 1 0 283.322 2.571 50 0 CFAARO CCC(=O)N1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095518663 185002290 /nfs/dbraw/zinc/00/22/90/185002290.db2.gz YURBUZQBYOZMSV-MRXNPFEDSA-N 1 0 286.419 2.877 50 0 CFAARO CC[C@@H](NC(=O)CC1CC[NH+](CC)CC1)c1nccs1 ZINC000095517099 185002445 /nfs/dbraw/zinc/00/24/45/185002445.db2.gz CKGHQQXWIYVNCE-CYBMUJFWSA-N 1 0 295.452 2.832 50 0 CFAARO Fc1cc(CC[NH2+]C2CCSCC2)c2c(c1)COCO2 ZINC000105438668 230393752 /nfs/dbraw/zinc/39/37/52/230393752.db2.gz ISWWNJAOCRBEAE-UHFFFAOYSA-N 1 0 297.395 2.720 50 0 CFAARO Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3C(N)=O)cc2)o1 ZINC000222821990 230398513 /nfs/dbraw/zinc/39/85/13/230398513.db2.gz QDZAPWJJQDEEOX-HNNXBMFYSA-N 1 0 284.359 2.705 50 0 CFAARO CCOC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000095911219 185030614 /nfs/dbraw/zinc/03/06/14/185030614.db2.gz JJZRERDJXSZNIT-UONOGXRCSA-N 1 0 265.328 2.647 50 0 CFAARO CCc1nncn1CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000095968737 185047704 /nfs/dbraw/zinc/04/77/04/185047704.db2.gz GJTWPFBHBFQUSY-AWEZNQCLSA-N 1 0 290.798 2.771 50 0 CFAARO CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCc2ccccc2C1 ZINC000095971129 185048764 /nfs/dbraw/zinc/04/87/64/185048764.db2.gz HZPYQRUWTYKZIS-GOSISDBHSA-N 1 0 294.398 2.775 50 0 CFAARO Cc1csc(C[NH2+][C@H](C)C[C@@H](O)c2ccco2)n1 ZINC000095978185 185052057 /nfs/dbraw/zinc/05/20/57/185052057.db2.gz CPPJVQHEZOFSOH-MWLCHTKSSA-N 1 0 266.366 2.646 50 0 CFAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cccn1C ZINC000095978195 185052187 /nfs/dbraw/zinc/05/21/87/185052187.db2.gz ZIOWPWLIRYYBSP-MLGOLLRUSA-N 1 0 276.355 2.766 50 0 CFAARO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)o1 ZINC000095985383 185054855 /nfs/dbraw/zinc/05/48/55/185054855.db2.gz AUKDNUBRQCZHTD-GHMZBOCLSA-N 1 0 281.352 2.532 50 0 CFAARO CCS[C@H]1CC[C@@H]([NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000095990116 185057858 /nfs/dbraw/zinc/05/78/58/185057858.db2.gz LIMOVWBGTKVSEZ-OLZOCXBDSA-N 1 0 267.442 2.801 50 0 CFAARO COCc1nc(C[NH2+][C@H]2CCO[C@H](CC(C)C)C2)cs1 ZINC000095991115 185058290 /nfs/dbraw/zinc/05/82/90/185058290.db2.gz JCTLZRRRKVQZRA-GXTWGEPZSA-N 1 0 298.452 2.973 50 0 CFAARO CN(C)C(=O)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000096007635 185063888 /nfs/dbraw/zinc/06/38/88/185063888.db2.gz MVZNNYLRYYWHTO-UHFFFAOYSA-N 1 0 292.379 2.612 50 0 CFAARO CC[C@@H](C(=O)NCc1c(F)cccc1Cl)[N@H+](C)CC ZINC000823061314 781919395 /nfs/dbraw/zinc/91/93/95/781919395.db2.gz DDFQQMULRIDURG-ZDUSSCGKSA-N 1 0 286.778 2.826 50 0 CFAARO Clc1ccccc1O[C@@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000125176687 187173488 /nfs/dbraw/zinc/17/34/88/187173488.db2.gz SAKKTNHKPSOQMK-GFCCVEGCSA-N 1 0 297.782 2.556 50 0 CFAARO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000096951877 185139935 /nfs/dbraw/zinc/13/99/35/185139935.db2.gz XZWLUFYTSDZIQZ-GFCCVEGCSA-N 1 0 257.337 2.552 50 0 CFAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cccnc1Cl ZINC000097019660 185152515 /nfs/dbraw/zinc/15/25/15/185152515.db2.gz DBVWCAGVOUOHHP-UHFFFAOYSA-N 1 0 287.750 2.633 50 0 CFAARO CSC(C)(C)COC(=O)c1ccn2c[nH+]cc2c1 ZINC000097034379 185156869 /nfs/dbraw/zinc/15/68/69/185156869.db2.gz KFZCCOUXNCKUQQ-UHFFFAOYSA-N 1 0 264.350 2.633 50 0 CFAARO CC(C)[NH2+]CC1(N[C@H](C)c2ccccc2)CCOCC1 ZINC000097034560 185157287 /nfs/dbraw/zinc/15/72/87/185157287.db2.gz WTQCVHIUEUJMEY-OAHLLOKOSA-N 1 0 276.424 2.884 50 0 CFAARO C[NH2+]C1(c2nnnn2-c2c(C)cccc2C)CCCCC1 ZINC000046078059 290637271 /nfs/dbraw/zinc/63/72/71/290637271.db2.gz LUKVVMPOYYDJAK-UHFFFAOYSA-N 1 0 285.395 2.658 50 0 CFAARO CCC(CC)N(CC(C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000093310771 282176495 /nfs/dbraw/zinc/17/64/95/282176495.db2.gz DHEFNHHAJBRKQK-OLZOCXBDSA-N 1 0 254.418 2.787 50 0 CFAARO CC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490608 529697336 /nfs/dbraw/zinc/69/73/36/529697336.db2.gz URWBSVFZEIGXOS-KBPBESRZSA-N 1 0 287.407 2.822 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000299738440 539357554 /nfs/dbraw/zinc/35/75/54/539357554.db2.gz ATCACFKYFYDCKK-ZENOOKHLSA-N 1 0 292.398 2.590 50 0 CFAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCSCC1 ZINC000097742627 529982051 /nfs/dbraw/zinc/98/20/51/529982051.db2.gz SEKVOONOAUMHEX-UHFFFAOYSA-N 1 0 277.393 2.997 50 0 CFAARO CN1CCC([NH2+]CCc2cccc(Cl)c2)CC1 ZINC000000757578 530050431 /nfs/dbraw/zinc/05/04/31/530050431.db2.gz QREDUTUHUHXYAO-UHFFFAOYSA-N 1 0 252.789 2.566 50 0 CFAARO CC(=O)N1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000076093760 539529754 /nfs/dbraw/zinc/52/97/54/539529754.db2.gz HBFOTCYGQVXUCL-QGZVFWFLSA-N 1 0 272.392 2.618 50 0 CFAARO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085305535 179012135 /nfs/dbraw/zinc/01/21/35/179012135.db2.gz SLWATFJHLABMAO-NVGCLXPQSA-N 1 0 253.411 2.948 50 0 CFAARO CCN1CC[NH+]([C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000019637652 346242462 /nfs/dbraw/zinc/24/24/62/346242462.db2.gz JFYUXPZOHQKXGW-OAHLLOKOSA-N 1 0 276.424 2.654 50 0 CFAARO [NH3+]CC[C@@H]1Cc2ccccc2C(=O)c2ccccc21 ZINC000019865879 346243024 /nfs/dbraw/zinc/24/30/24/346243024.db2.gz RVQFRQQMKWATCG-CYBMUJFWSA-N 1 0 251.329 2.906 50 0 CFAARO Cc1ccccc1O[C@H](C)CC[C@H](C)[N@H+](C)CCO ZINC000022064895 346247578 /nfs/dbraw/zinc/24/75/78/346247578.db2.gz CCWAVEMRPJAESV-LSDHHAIUSA-N 1 0 265.397 2.855 50 0 CFAARO CC[NH2+][C@](C)(CO)Cc1ccc(Cl)c(Cl)c1 ZINC000034196732 346314843 /nfs/dbraw/zinc/31/48/43/346314843.db2.gz ALFKVDDNYUNAFZ-LBPRGKRZSA-N 1 0 262.180 2.896 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)C12CCCCC2 ZINC000098018786 185674223 /nfs/dbraw/zinc/67/42/23/185674223.db2.gz MALMSKCPICUOCR-JKSUJKDBSA-N 1 0 293.407 2.989 50 0 CFAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071443 347117818 /nfs/dbraw/zinc/11/78/18/347117818.db2.gz MNXXRKRFBYKUSJ-CHWSQXEVSA-N 1 0 286.485 2.897 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000084714940 347470145 /nfs/dbraw/zinc/47/01/45/347470145.db2.gz ZQLOZYFKAZASNI-GUYCJALGSA-N 1 0 297.402 2.581 50 0 CFAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000084736329 347470282 /nfs/dbraw/zinc/47/02/82/347470282.db2.gz ARXAIHWOFVIZCM-BBRMVZONSA-N 1 0 290.407 2.715 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3cccnc32)[C@@H](C)C1 ZINC000084714943 347470645 /nfs/dbraw/zinc/47/06/45/347470645.db2.gz ZQLOZYFKAZASNI-SUMWQHHRSA-N 1 0 297.402 2.581 50 0 CFAARO COc1cc([C@@H](C)[NH2+]Cc2cc[nH]c2)cc(OC)c1OC ZINC000086251002 179255494 /nfs/dbraw/zinc/25/54/94/179255494.db2.gz PWPRJBREKWTDIS-LLVKDONJSA-N 1 0 290.363 2.891 50 0 CFAARO COc1ccc(OCC[N@H+](C)C2CCSCC2)cc1 ZINC000092873147 347649006 /nfs/dbraw/zinc/64/90/06/347649006.db2.gz QFGDISOZSLUCAX-UHFFFAOYSA-N 1 0 281.421 2.901 50 0 CFAARO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)cc2F)CC[N@H+]1C ZINC000095457654 347698247 /nfs/dbraw/zinc/69/82/47/347698247.db2.gz KDWYFUNTXYPQJE-ZJUUUORDSA-N 1 0 283.322 2.521 50 0 CFAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095423633 347698372 /nfs/dbraw/zinc/69/83/72/347698372.db2.gz PVRFPIAGPKRJRC-VPWXQRGCSA-N 1 0 291.460 2.823 50 0 CFAARO CC(C)(C)OC1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000095987303 347699559 /nfs/dbraw/zinc/69/95/59/347699559.db2.gz JTSGKUCIMRKQHK-SJORKVTESA-N 1 0 289.419 2.924 50 0 CFAARO CC(C)Cn1nccc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000097231966 347707834 /nfs/dbraw/zinc/70/78/34/347707834.db2.gz QRFMJNXCCSCJFW-CHWSQXEVSA-N 1 0 262.401 2.576 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CC2(N(C)C)CCOCC2)[C@H](C)C1 ZINC000097373210 347708374 /nfs/dbraw/zinc/70/83/74/347708374.db2.gz TZXCUUSMWXWNFY-KFWWJZLASA-N 1 0 268.445 2.512 50 0 CFAARO C[C@@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccsc1 ZINC000097376398 347709327 /nfs/dbraw/zinc/70/93/27/347709327.db2.gz RMEAXPWSZONHEV-SWLSCSKDSA-N 1 0 292.448 2.842 50 0 CFAARO CC(C)N1CC[C@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000101630946 347715637 /nfs/dbraw/zinc/71/56/37/347715637.db2.gz ICBHPSKIKLGCED-QWHCGFSZSA-N 1 0 256.752 2.962 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2)C[N@@H+](C)C[C@@H]1CC ZINC000102190438 347716694 /nfs/dbraw/zinc/71/66/94/347716694.db2.gz VFVRCUAINDTTOF-BBRMVZONSA-N 1 0 261.365 2.807 50 0 CFAARO Cc1cccc(C2CC([NH2+][C@@H](C)CCS(C)(=O)=O)C2)c1 ZINC000154254869 347978923 /nfs/dbraw/zinc/97/89/23/347978923.db2.gz BQWUAUSGYGRZMI-JEYLPNPQSA-N 1 0 295.448 2.654 50 0 CFAARO CC(C)c1ccc([C@H]2C[C@H]2NC(=O)C(C)(C)C[NH3+])cc1 ZINC000170048961 348053346 /nfs/dbraw/zinc/05/33/46/348053346.db2.gz DKZYOGBJDDRYLJ-HUUCEWRRSA-N 1 0 274.408 2.767 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@H](CO)c1ccccc1 ZINC000170593120 348055154 /nfs/dbraw/zinc/05/51/54/348055154.db2.gz FHVRVJRDUPUABC-QGZVFWFLSA-N 1 0 295.386 2.668 50 0 CFAARO COC1CCC([NH2+]C/C=C/CNC(=O)OC(C)(C)C)CC1 ZINC000170616179 348057531 /nfs/dbraw/zinc/05/75/31/348057531.db2.gz SDNCKYQJCKSHRE-AATRIKPKSA-N 1 0 298.427 2.615 50 0 CFAARO C[C@@H](O)CC[NH2+][C@H](C)C(C)(C)c1ccc(F)cc1 ZINC000185456258 348128997 /nfs/dbraw/zinc/12/89/97/348128997.db2.gz RQHYJMVOVCFXCY-VXGBXAGGSA-N 1 0 253.361 2.852 50 0 CFAARO CC[C@@H]([NH2+]C[C@](C)(O)c1cnn(C)c1)c1ccccc1F ZINC000195553621 348145970 /nfs/dbraw/zinc/14/59/70/348145970.db2.gz IZVGYOJIBOBNFI-CVEARBPZSA-N 1 0 291.370 2.508 50 0 CFAARO C[C@H](C[NH2+][C@@H](C1CC1)C1CCCCC1)[S@@](C)=O ZINC000195558169 348146318 /nfs/dbraw/zinc/14/63/18/348146318.db2.gz WDSKGVLFJKKSIW-JDSLSITLSA-N 1 0 257.443 2.702 50 0 CFAARO c1nn(CC[NH+]2CCCCC2)cc1N[C@H]1CCCSC1 ZINC000195562119 348146911 /nfs/dbraw/zinc/14/69/11/348146911.db2.gz VHNKUOCJIDVPMU-AWEZNQCLSA-N 1 0 294.468 2.677 50 0 CFAARO CC(C)(C)CC[NH2+]Cc1cccnc1-n1ccnc1 ZINC000187656336 348131026 /nfs/dbraw/zinc/13/10/26/348131026.db2.gz SILIIGFXBGNUKL-UHFFFAOYSA-N 1 0 258.369 2.793 50 0 CFAARO C[C@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229647509 348202874 /nfs/dbraw/zinc/20/28/74/348202874.db2.gz QHJVVSCIOFLWDT-TZMCWYRMSA-N 1 0 256.353 2.745 50 0 CFAARO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000253370338 348300972 /nfs/dbraw/zinc/30/09/72/348300972.db2.gz POALPRIWFLZQLE-QJPTWQEYSA-N 1 0 294.361 2.952 50 0 CFAARO Cc1ccsc1C[NH+]1CCC(F)(C(=O)NC2CC2)CC1 ZINC000409421157 348600283 /nfs/dbraw/zinc/60/02/83/348600283.db2.gz SCNVUJYYFHNTAU-UHFFFAOYSA-N 1 0 296.411 2.639 50 0 CFAARO CC(=O)N1CCC(n2c(C)c[nH+]c2C2CCC2)CC1 ZINC000409421105 348600452 /nfs/dbraw/zinc/60/04/52/348600452.db2.gz ILGDOQZYZWEAJZ-UHFFFAOYSA-N 1 0 261.369 2.642 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000409421110 348600556 /nfs/dbraw/zinc/60/05/56/348600556.db2.gz KIODGYBQLGSPJZ-HNNXBMFYSA-N 1 0 275.396 2.854 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000409421111 348600594 /nfs/dbraw/zinc/60/05/94/348600594.db2.gz KIODGYBQLGSPJZ-OAHLLOKOSA-N 1 0 275.396 2.854 50 0 CFAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000409421030 348600769 /nfs/dbraw/zinc/60/07/69/348600769.db2.gz ZMIZLZVUYUBTNK-CYBMUJFWSA-N 1 0 287.407 2.718 50 0 CFAARO CC(C)(C)OC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000575451850 348670273 /nfs/dbraw/zinc/67/02/73/348670273.db2.gz NAYHRIFSHVNAOZ-UHFFFAOYSA-N 1 0 264.325 2.516 50 0 CFAARO N=C(NC(N)=[NH2+])Nc1ccccc1Sc1ccccc1 ZINC000575602410 348670317 /nfs/dbraw/zinc/67/03/17/348670317.db2.gz JWGVJZJELFNVIA-UHFFFAOYSA-N 1 0 285.376 2.668 50 0 CFAARO CN1CC[C@@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC000584884368 348726505 /nfs/dbraw/zinc/72/65/05/348726505.db2.gz HDDDADWSBOUWOE-CQSZACIVSA-N 1 0 293.842 2.603 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]C2CSCCSC2)cn1 ZINC000584887047 348727154 /nfs/dbraw/zinc/72/71/54/348727154.db2.gz SYSJOANGMVBMRV-NSHDSACASA-N 1 0 268.451 2.889 50 0 CFAARO C[C@@H](CCn1cccn1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000584890790 348729372 /nfs/dbraw/zinc/72/93/72/348729372.db2.gz ACXJLPPLGNWKOU-HNNXBMFYSA-N 1 0 277.412 2.554 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584894436 348729964 /nfs/dbraw/zinc/72/99/64/348729964.db2.gz VLQCSRJPEFKHKH-LBPRGKRZSA-N 1 0 250.386 2.992 50 0 CFAARO CCC[C@@H](Cn1cnc2cc(Cl)ccc2c1=O)[NH+](C)C ZINC000584894466 348730227 /nfs/dbraw/zinc/73/02/27/348730227.db2.gz JSFOGSPHANXCCA-LBPRGKRZSA-N 1 0 293.798 2.780 50 0 CFAARO Fc1ccc2[nH]c(C[NH2+]C3CSCCSC3)nc2c1 ZINC000584896508 348730788 /nfs/dbraw/zinc/73/07/88/348730788.db2.gz VQKSJEPWGCNJHQ-UHFFFAOYSA-N 1 0 297.424 2.640 50 0 CFAARO Cc1n[nH]c(C)c1[C@H](C)[NH2+]C1CSCCSC1 ZINC000584900271 348731756 /nfs/dbraw/zinc/73/17/56/348731756.db2.gz OFRAQEABVZONGA-QMMMGPOBSA-N 1 0 271.455 2.526 50 0 CFAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C1CSCCSC1 ZINC000584903092 348732651 /nfs/dbraw/zinc/73/26/51/348732651.db2.gz AZARKEFTJWHARC-SECBINFHSA-N 1 0 285.482 2.536 50 0 CFAARO C[C@@H]1CCC[C@H](C)N1CC[NH2+]C1CSCCSC1 ZINC000584901942 348733074 /nfs/dbraw/zinc/73/30/74/348733074.db2.gz DKQVSNNWNCZKEL-BETUJISGSA-N 1 0 288.526 2.688 50 0 CFAARO Oc1ccccc1-c1ccc([C@@H]2COCC[NH2+]2)cc1 ZINC000585133947 348734437 /nfs/dbraw/zinc/73/44/37/348734437.db2.gz GJCHMWZNHMTBQL-HNNXBMFYSA-N 1 0 255.317 2.720 50 0 CFAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CCSC1 ZINC000091366857 180143339 /nfs/dbraw/zinc/14/33/39/180143339.db2.gz KYNYMFUVAJHYMY-SMDDNHRTSA-N 1 0 285.840 2.729 50 0 CFAARO Cc1cccc(C[N@@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)n1 ZINC000091320280 180134059 /nfs/dbraw/zinc/13/40/59/180134059.db2.gz GBHNPGQUSVQIKL-SFHVURJKSA-N 1 0 296.414 2.947 50 0 CFAARO OCC[NH2+]Cc1ccc(C[C@@H]2COc3ccccc3C2)cc1 ZINC000091434421 180154168 /nfs/dbraw/zinc/15/41/68/180154168.db2.gz XIQUHIUYUOWXOW-KRWDZBQOSA-N 1 0 297.398 2.562 50 0 CFAARO COCC[C@@]1(CO)CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000091474573 180165743 /nfs/dbraw/zinc/16/57/43/180165743.db2.gz YWHWUPSISKQPBQ-KRWDZBQOSA-N 1 0 295.398 2.745 50 0 CFAARO CC(C)(CNc1ncccn1)[N@@H+]1CCc2ccccc2C1 ZINC000091475540 180166323 /nfs/dbraw/zinc/16/63/23/180166323.db2.gz SYDFOLUMVJLHLA-UHFFFAOYSA-N 1 0 282.391 2.725 50 0 CFAARO Cc1c(F)cccc1CN1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091486974 180167781 /nfs/dbraw/zinc/16/77/81/180167781.db2.gz PUGWTLWOMKPPEA-DZGCQCFKSA-N 1 0 262.372 2.660 50 0 CFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(C)o1)C2 ZINC000091382232 180143825 /nfs/dbraw/zinc/14/38/25/180143825.db2.gz SBRJUWLYOYBJNA-LSDHHAIUSA-N 1 0 262.397 2.894 50 0 CFAARO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)[nH]c2c1c(C)ccc2C ZINC000091620056 180208542 /nfs/dbraw/zinc/20/85/42/180208542.db2.gz JFHWOJPIDCGPBV-CQSZACIVSA-N 1 0 299.418 2.869 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cc3cc(F)ccc3n2C)CC[C@]1(C)O ZINC000091550857 180188901 /nfs/dbraw/zinc/18/89/01/180188901.db2.gz ZVELYFGGEKQYIX-PXAZEXFGSA-N 1 0 290.382 2.910 50 0 CFAARO C[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CC[C@]1(C)O ZINC000091951990 180291833 /nfs/dbraw/zinc/29/18/33/180291833.db2.gz NTTHCNGMLZAIPS-DNKIIHMASA-N 1 0 263.356 2.932 50 0 CFAARO Cc1ncnc(NC2CC[NH+](Cc3ccncc3)CC2)c1C ZINC000091973683 180296729 /nfs/dbraw/zinc/29/67/29/180296729.db2.gz HFNSZYCJKBRPHU-UHFFFAOYSA-N 1 0 297.406 2.565 50 0 CFAARO Fc1ccccc1[C@@H](CNc1ccncn1)[NH+]1CCCC1 ZINC000092001835 180303649 /nfs/dbraw/zinc/30/36/49/180303649.db2.gz ZHYXYWIYOFMYQJ-OAHLLOKOSA-N 1 0 286.354 2.865 50 0 CFAARO CCC[C@@]1(CO)CCC[N@H+](Cc2cncn2CC(C)C)C1 ZINC000092028707 180309516 /nfs/dbraw/zinc/30/95/16/180309516.db2.gz VSZJFYORHKCJFB-QGZVFWFLSA-N 1 0 293.455 2.914 50 0 CFAARO COc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000106026552 186098459 /nfs/dbraw/zinc/09/84/59/186098459.db2.gz FSQPZQITBAXHQI-QWHCGFSZSA-N 1 0 276.380 2.754 50 0 CFAARO C[C@@H]([N@@H+](C)CC(=O)N[C@@H](C)c1ccco1)C(C)(C)C ZINC000106586048 186128649 /nfs/dbraw/zinc/12/86/49/186128649.db2.gz RVQXOCUAEIUFDP-NWDGAFQWSA-N 1 0 266.385 2.823 50 0 CFAARO [NH3+]CCOc1ccccc1CCc1ccc2c(c1)OCCO2 ZINC000601008676 350644833 /nfs/dbraw/zinc/64/48/33/350644833.db2.gz KSZJVWGIZKRWHM-UHFFFAOYSA-N 1 0 299.370 2.581 50 0 CFAARO O=C(CC1CCCCC1)NCC[NH2+]Cc1cccc(O)c1 ZINC000113354640 186572993 /nfs/dbraw/zinc/57/29/93/186572993.db2.gz KQRNMAKQBNZOBZ-UHFFFAOYSA-N 1 0 290.407 2.568 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)C1 ZINC000606441842 351270161 /nfs/dbraw/zinc/27/01/61/351270161.db2.gz MUAYERPIBZMMKC-UMCURTJPSA-N 1 0 299.201 2.814 50 0 CFAARO CC(C)c1ccc(CC[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000123116486 187072089 /nfs/dbraw/zinc/07/20/89/187072089.db2.gz LCFUFTCCBALQRV-MRXNPFEDSA-N 1 0 295.448 2.519 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC000133237735 187673456 /nfs/dbraw/zinc/67/34/56/187673456.db2.gz HVUJCCHNZHZPJR-AWEZNQCLSA-N 1 0 277.412 2.510 50 0 CFAARO COc1ccccc1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000200415621 539916482 /nfs/dbraw/zinc/91/64/82/539916482.db2.gz KSBUFPOYFRNOMA-AWEZNQCLSA-N 1 0 275.392 2.911 50 0 CFAARO COc1cc(Cl)cc(CN2CC[C@H]([NH3+])C2)c1OC(C)C ZINC000215084749 539965418 /nfs/dbraw/zinc/96/54/18/539965418.db2.gz HKARRSQXTUBCKN-ZDUSSCGKSA-N 1 0 298.814 2.669 50 0 CFAARO C[C@@H](CNC(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000157217833 188304153 /nfs/dbraw/zinc/30/41/53/188304153.db2.gz OZQVAGJMIFHLKM-NSHDSACASA-N 1 0 296.361 2.574 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2ccccc2Cc2ccccc2)C1 ZINC000158175718 188361503 /nfs/dbraw/zinc/36/15/03/188361503.db2.gz FTFRLSIQUSKQFN-QGZVFWFLSA-N 1 0 294.398 2.841 50 0 CFAARO FC(F)(F)c1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000112792956 282925496 /nfs/dbraw/zinc/92/54/96/282925496.db2.gz OXFSANKFBWCECA-NSHDSACASA-N 1 0 259.271 2.974 50 0 CFAARO FC(F)(F)c1cnc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000020366845 282931342 /nfs/dbraw/zinc/93/13/42/282931342.db2.gz IMONJLGSBFYJPU-UHFFFAOYSA-N 1 0 299.218 2.529 50 0 CFAARO COC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000685940247 540020791 /nfs/dbraw/zinc/02/07/91/540020791.db2.gz ADHQZZNBARODSS-VXNVDRBHSA-N 1 0 296.169 2.790 50 0 CFAARO [NH3+]C[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000170677140 188682283 /nfs/dbraw/zinc/68/22/83/188682283.db2.gz CBHHEACMYNTDDS-QGZVFWFLSA-N 1 0 296.370 2.946 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000630061464 354994321 /nfs/dbraw/zinc/99/43/21/354994321.db2.gz XMVJMJIRVMEINJ-PWSUYJOCSA-N 1 0 279.334 2.978 50 0 CFAARO Cc1nc(C)c(C[NH2+]C[C@H]2CCCn3ccnc32)s1 ZINC000084062482 540192685 /nfs/dbraw/zinc/19/26/85/540192685.db2.gz DCAZKJMSNNYITK-GFCCVEGCSA-N 1 0 276.409 2.624 50 0 CFAARO Cc1ccc(C[NH2+]C[C@H]2CCO[C@H]2c2cnn(C)c2)s1 ZINC000084205559 540197555 /nfs/dbraw/zinc/19/75/55/540197555.db2.gz YGEFLFZURLWQLO-IUODEOHRSA-N 1 0 291.420 2.657 50 0 CFAARO NC(=O)C1([NH2+]Cc2ccccc2C(F)(F)F)CCCC1 ZINC000084504941 540199906 /nfs/dbraw/zinc/19/99/06/540199906.db2.gz TXWZBUOKBPOCTB-UHFFFAOYSA-N 1 0 286.297 2.593 50 0 CFAARO C[N@@H+]1CC[C@](O)(c2ccccc2)[C@H]([C@H](O)c2ccccc2)C1 ZINC000004683931 283165573 /nfs/dbraw/zinc/16/55/73/283165573.db2.gz BGKCTMYJKSVGSD-OTWHNJEPSA-N 1 0 297.398 2.560 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCC[C@H]1CO)CCC2 ZINC000248201439 540262398 /nfs/dbraw/zinc/26/23/98/540262398.db2.gz YUVGCNFXSMGTCW-SGMGOOAPSA-N 1 0 280.437 2.970 50 0 CFAARO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(F)c(CO)c2)cn1 ZINC000090779580 540379257 /nfs/dbraw/zinc/37/92/57/540379257.db2.gz WPOHSHUQOOWOEW-GFCCVEGCSA-N 1 0 291.370 2.946 50 0 CFAARO C[C@H](CCc1ccco1)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000090801332 540379976 /nfs/dbraw/zinc/37/99/76/540379976.db2.gz VOFSUVJUCVJWCW-CABCVRRESA-N 1 0 285.391 2.864 50 0 CFAARO Cn1nc(C(F)(F)F)c(C[NH3+])c1Oc1ccccc1 ZINC000006452528 540397476 /nfs/dbraw/zinc/39/74/76/540397476.db2.gz AXLMQUTULSEHDT-UHFFFAOYSA-N 1 0 271.242 2.690 50 0 CFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)C1CSCCSC1 ZINC000823672282 781935803 /nfs/dbraw/zinc/93/58/03/781935803.db2.gz WVFIIBSRJBJRJQ-UHFFFAOYSA-N 1 0 299.509 2.740 50 0 CFAARO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cccnc1 ZINC000092747812 540412756 /nfs/dbraw/zinc/41/27/56/540412756.db2.gz JZQRZTQYJDFMCL-KSSFIOAISA-N 1 0 282.387 2.956 50 0 CFAARO Cc1cnccc1CC[NH2+][C@@H]1CCCSCC1 ZINC000585093621 540462124 /nfs/dbraw/zinc/46/21/24/540462124.db2.gz OTEVTGFFNBMIMD-CQSZACIVSA-N 1 0 250.411 2.808 50 0 CFAARO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCC1(C)C ZINC000095423715 540724410 /nfs/dbraw/zinc/72/44/10/540724410.db2.gz AFLLYBHYYQLVLV-VXGBXAGGSA-N 1 0 262.401 2.844 50 0 CFAARO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2ccccc2S1 ZINC000095422830 540724420 /nfs/dbraw/zinc/72/44/20/540724420.db2.gz JXDLMNARVYJALB-BZPMIXESSA-N 1 0 290.432 2.822 50 0 CFAARO CC(C)(O)C[NH2+][C@@H]1CCCSc2ccccc21 ZINC000095422256 540724488 /nfs/dbraw/zinc/72/44/88/540724488.db2.gz UDTZJDYQMLNAIU-GFCCVEGCSA-N 1 0 251.395 2.974 50 0 CFAARO c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000093590796 540723332 /nfs/dbraw/zinc/72/33/32/540723332.db2.gz ZRUIAJUSVBZHRI-GASCZTMLSA-N 1 0 280.375 2.870 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000178523171 189123984 /nfs/dbraw/zinc/12/39/84/189123984.db2.gz DSWGUPWWRPEHQM-AWEZNQCLSA-N 1 0 296.370 2.900 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C(\C)c2cccc(Cl)c2)C1 ZINC000178993201 189159871 /nfs/dbraw/zinc/15/98/71/189159871.db2.gz RKBHNMJUDAMBNQ-YQCJOKCJSA-N 1 0 292.810 2.811 50 0 CFAARO Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000098013130 540883595 /nfs/dbraw/zinc/88/35/95/540883595.db2.gz RTRGTKAPYXMOEE-USXIJHARSA-N 1 0 299.418 2.943 50 0 CFAARO COC(C)(C)CC[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000670436792 540994429 /nfs/dbraw/zinc/99/44/29/540994429.db2.gz QMYHUBYHXOQTSK-CQSZACIVSA-N 1 0 280.387 2.809 50 0 CFAARO Cc1[nH]c2c(ccc(C)c2C)c1CC[NH2+][C@@H](C)CO ZINC000670442144 540996544 /nfs/dbraw/zinc/99/65/44/540996544.db2.gz HDNJIBVNDADONW-NSHDSACASA-N 1 0 260.381 2.606 50 0 CFAARO CC(=O)NC(C)(C)C[C@@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000670444043 540996773 /nfs/dbraw/zinc/99/67/73/540996773.db2.gz XZMCBZWNJRRCOU-CYBMUJFWSA-N 1 0 266.429 2.946 50 0 CFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(C)n1 ZINC000670451170 540999472 /nfs/dbraw/zinc/99/94/72/540999472.db2.gz FHLQMBYXOLRIMT-ZSHCYNCHSA-N 1 0 260.381 2.574 50 0 CFAARO CC/C=C\CCC[N@@H+]1CCC[C@H](CCC(=O)NC)C1 ZINC000670455612 541000967 /nfs/dbraw/zinc/00/09/67/541000967.db2.gz QKQUXYIULRTDLL-FOSCPCJNSA-N 1 0 266.429 2.971 50 0 CFAARO COCCOCC[N@H+](C)Cc1[nH]c2ccccc2c1C ZINC000670458837 541002214 /nfs/dbraw/zinc/00/22/14/541002214.db2.gz XWKPEWHNIVYDBU-UHFFFAOYSA-N 1 0 276.380 2.571 50 0 CFAARO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000670460971 541003118 /nfs/dbraw/zinc/00/31/18/541003118.db2.gz YEPDCSXGMBNLGJ-AWEZNQCLSA-N 1 0 258.365 2.761 50 0 CFAARO O=C1CC[C@@H]([N@@H+]2CCC3(C2)CCCCCC3)CCN1 ZINC000670462326 541003643 /nfs/dbraw/zinc/00/36/43/541003643.db2.gz IVRJHFKZFVZRAP-CQSZACIVSA-N 1 0 264.413 2.701 50 0 CFAARO CCC1(CC)C[N@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000670463534 541005170 /nfs/dbraw/zinc/00/51/70/541005170.db2.gz YOPRIMQTNUOFTB-UHFFFAOYSA-N 1 0 273.380 2.954 50 0 CFAARO COc1ccc(CC[C@H](C)[N@H+](C)CC2(C)COC2)cc1 ZINC000670467521 541006889 /nfs/dbraw/zinc/00/68/89/541006889.db2.gz JMRRKUAWFIZWEP-AWEZNQCLSA-N 1 0 277.408 2.985 50 0 CFAARO CCc1nccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)n1 ZINC000670470868 541009963 /nfs/dbraw/zinc/00/99/63/541009963.db2.gz AAPIELFPRPDZPH-INIZCTEOSA-N 1 0 283.375 2.692 50 0 CFAARO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1ccc2ccccc2c1 ZINC000181507656 189298677 /nfs/dbraw/zinc/29/86/77/189298677.db2.gz FJQMOSMNJOJJOC-KSSFIOAISA-N 1 0 295.386 2.748 50 0 CFAARO Cc1cccn2cc(C[NH2+][C@H]3CCCSC3)nc12 ZINC000183609535 189364038 /nfs/dbraw/zinc/36/40/38/189364038.db2.gz RIJHMYMEKDHFAT-LBPRGKRZSA-N 1 0 261.394 2.628 50 0 CFAARO CCCn1ncc(C[N@H+](C)C[C@H](O)c2ccccc2)c1C ZINC000215703703 189696641 /nfs/dbraw/zinc/69/66/41/189696641.db2.gz PLLHARMIDSTDHI-KRWDZBQOSA-N 1 0 287.407 2.767 50 0 CFAARO C[C@@H]([NH2+]C1(CCO)CCOCC1)c1cc(F)ccc1F ZINC000097037909 296112629 /nfs/dbraw/zinc/11/26/29/296112629.db2.gz UOQSVPSAXFDJFN-LLVKDONJSA-N 1 0 285.334 2.547 50 0 CFAARO CCC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)C1CCCC1 ZINC000453429225 243577903 /nfs/dbraw/zinc/57/79/03/243577903.db2.gz QFKHRHLYBKCVEJ-HIFRSBDPSA-N 1 0 252.402 2.604 50 0 CFAARO OC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000000200405 371556292 /nfs/dbraw/zinc/55/62/92/371556292.db2.gz RGCJRCWSAFYTDK-UHFFFAOYSA-N 1 0 259.271 2.662 50 0 CFAARO COc1cccc([C@]2(O)CCCC[C@H]2C[NH+](C)C)c1 ZINC000000002200 371507528 /nfs/dbraw/zinc/50/75/28/371507528.db2.gz TVYLLZQTGLZFBW-GOEBONIOSA-N 1 0 263.381 2.635 50 0 in-man CFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000000087329 371527219 /nfs/dbraw/zinc/52/72/19/371527219.db2.gz XUJMDQBYCUHWQE-UHFFFAOYSA-N 1 0 272.392 2.567 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000118206 371534120 /nfs/dbraw/zinc/53/41/20/371534120.db2.gz JKSSCVRQSVZARB-UHFFFAOYSA-N 1 0 274.286 2.986 50 0 CFAARO C[NH+](C)CCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000000245975 371568530 /nfs/dbraw/zinc/56/85/30/371568530.db2.gz DUHVHRGNHUTXDR-UHFFFAOYSA-N 1 0 283.371 2.923 50 0 CFAARO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000251344 371569804 /nfs/dbraw/zinc/56/98/04/371569804.db2.gz QXJZZICYZZKPMO-WMLDXEAASA-N 1 0 288.435 2.841 50 0 CFAARO CC[C@]1(C)N(O)C(C)(C)C(c2ccc(F)cc2)[N+]1=O ZINC000000269111 371573321 /nfs/dbraw/zinc/57/33/21/371573321.db2.gz KIXXHLWVEHZYAI-AWEZNQCLSA-N 1 0 266.316 2.735 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000000275534 371574276 /nfs/dbraw/zinc/57/42/76/371574276.db2.gz LOIYEWCWRYTAQB-SECBINFHSA-N 1 0 258.159 2.574 50 0 CFAARO [NH3+]CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2 ZINC000000287373 371577773 /nfs/dbraw/zinc/57/77/73/371577773.db2.gz YAENRSAIJLBRNF-CQSZACIVSA-N 1 0 255.317 2.896 50 0 CFAARO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000000292710 371579496 /nfs/dbraw/zinc/57/94/96/371579496.db2.gz QEYYWHAWYAVLKO-LSDHHAIUSA-N 1 0 251.345 2.915 50 0 CFAARO C[N@@H+]1CCC[C@@H](OC(=O)c2ccccc2Cl)C1 ZINC000000316625 371586072 /nfs/dbraw/zinc/58/60/72/371586072.db2.gz QHKYGRMPOPQKTQ-SNVBAGLBSA-N 1 0 253.729 2.591 50 0 CFAARO CC(=O)N1CC[n+]2cc(-c3ccc(C)cc3C)sc21 ZINC000000392220 371604098 /nfs/dbraw/zinc/60/40/98/371604098.db2.gz DOJAICXHCNDHID-UHFFFAOYSA-N 1 0 273.381 2.686 50 0 CFAARO CCOC(=O)Cc1cccc[n+]1Cc1cccc(Cl)c1 ZINC000001383687 371669151 /nfs/dbraw/zinc/66/91/51/371669151.db2.gz ISYOIAPLTOPMSJ-UHFFFAOYSA-N 1 0 290.770 2.781 50 0 CFAARO Cc1[nH]c2cc(C)ccc2c1C(=O)CNC1=[NH+]CCS1 ZINC000000497640 371631542 /nfs/dbraw/zinc/63/15/42/371631542.db2.gz QMSGPMOWFWPUKY-UHFFFAOYSA-N 1 0 287.388 2.660 50 0 CFAARO c1ccc(CN2CCC([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000000757851 371648605 /nfs/dbraw/zinc/64/86/05/371648605.db2.gz FVZSWYBJWJQBOE-INIZCTEOSA-N 1 0 276.449 2.746 50 0 CFAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccco1 ZINC000000808168 371651020 /nfs/dbraw/zinc/65/10/20/371651020.db2.gz ISBCEVPZIPFBSV-CYBMUJFWSA-N 1 0 273.332 2.957 50 0 CFAARO C[NH+](C)CCCNc1ncnc2sc3c(c21)CCCC3 ZINC000001749522 371705016 /nfs/dbraw/zinc/70/50/16/371705016.db2.gz FJNUFFOINRUNQI-UHFFFAOYSA-N 1 0 290.436 2.934 50 0 CFAARO CC(C)=CCC[C@@H](C)N(CCC[NH+](C)C)C(C)=O ZINC000002139596 371717328 /nfs/dbraw/zinc/71/73/28/371717328.db2.gz JIIGUTTXPVYNLF-CQSZACIVSA-N 1 0 254.418 2.922 50 0 CFAARO CC[NH+](CC)CCOC(=O)Nc1cccc(OC)c1 ZINC000002171896 371718918 /nfs/dbraw/zinc/71/89/18/371718918.db2.gz RJWSOCVGEXCSMN-UHFFFAOYSA-N 1 0 266.341 2.586 50 0 CFAARO c1ccc2c(c1)cccc2OCC[NH2+]C[C@@H]1CCCO1 ZINC000002269553 371722600 /nfs/dbraw/zinc/72/26/00/371722600.db2.gz NQCORJLIRINAPL-HNNXBMFYSA-N 1 0 271.360 2.987 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000002451111 371727216 /nfs/dbraw/zinc/72/72/16/371727216.db2.gz PIANUSMCKHEMFQ-HNNXBMFYSA-N 1 0 259.349 2.578 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000002497505 371729676 /nfs/dbraw/zinc/72/96/76/371729676.db2.gz OBVOCZTXJINSPD-GXTWGEPZSA-N 1 0 283.799 2.812 50 0 CFAARO COc1ccc(C(=O)CC[NH+](C)C)c2ccccc12 ZINC000001628191 371689698 /nfs/dbraw/zinc/68/96/98/371689698.db2.gz PWCBAQSOVHUXHK-UHFFFAOYSA-N 1 0 257.333 2.983 50 0 aggregator,in-vitro CFAARO COc1cccc(C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000002750291 371750083 /nfs/dbraw/zinc/75/00/83/371750083.db2.gz WOUOCCUMRCCFOJ-UHFFFAOYSA-N 1 0 285.343 2.756 50 0 CFAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(C)cc1 ZINC000002822393 371757487 /nfs/dbraw/zinc/75/74/87/371757487.db2.gz LTKSIEXKOGMXBM-CQSZACIVSA-N 1 0 251.370 2.779 50 0 CFAARO CCOc1cc(C[NH2+]CCCO)ccc1OC1CCCC1 ZINC000002883114 371763092 /nfs/dbraw/zinc/76/30/92/371763092.db2.gz NEVOWKLXECAGAI-UHFFFAOYSA-N 1 0 293.407 2.879 50 0 CFAARO Cc1cccc(OCCCCCC[NH2+]CCO)c1 ZINC000002901812 371763480 /nfs/dbraw/zinc/76/34/80/371763480.db2.gz GNHDFGAYPOJBFX-UHFFFAOYSA-N 1 0 251.370 2.516 50 0 CFAARO CCOc1cccc(OCCOCC[NH+]2CCCCC2)c1 ZINC000003003691 371768857 /nfs/dbraw/zinc/76/88/57/371768857.db2.gz SNTUOYMMHSKEAR-UHFFFAOYSA-N 1 0 293.407 2.967 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C)c1 ZINC000003293198 371789291 /nfs/dbraw/zinc/78/92/91/371789291.db2.gz XPYXYWOAXWTHEN-AWEZNQCLSA-N 1 0 277.437 2.766 50 0 CFAARO COc1ccc(NC(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000003308137 371789957 /nfs/dbraw/zinc/78/99/57/371789957.db2.gz WGAQBMUMAWTVRC-UHFFFAOYSA-N 1 0 295.452 2.569 50 0 CFAARO COc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+](C)C)cc1 ZINC000003323800 371790736 /nfs/dbraw/zinc/79/07/36/371790736.db2.gz CWPTUQHSCDRCGE-QGZVFWFLSA-N 1 0 298.386 2.728 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)C(C)C)c1C ZINC000003396117 371797302 /nfs/dbraw/zinc/79/73/02/371797302.db2.gz PZGUUPIVIMKQBV-CVEARBPZSA-N 1 0 279.424 2.986 50 0 CFAARO CCC[C@]1(c2cccc(OC(C)=O)c2)CC[N@H+](C)C1 ZINC000003640268 371814373 /nfs/dbraw/zinc/81/43/73/371814373.db2.gz JSVPVVXSCRJFAT-INIZCTEOSA-N 1 0 261.365 2.985 50 0 CFAARO CC(=O)N(CCC[NH+](C)C)c1nc2c(cccc2F)s1 ZINC000004359748 371852514 /nfs/dbraw/zinc/85/25/14/371852514.db2.gz QDBJDRZPCMSFGV-UHFFFAOYSA-N 1 0 295.383 2.740 50 0 CFAARO CCOc1c(C[NH2+]Cc2cccnc2)cccc1OC ZINC000004413455 371855703 /nfs/dbraw/zinc/85/57/03/371855703.db2.gz LAGKVIDWLGJHCN-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO c1[nH]c2ccccc2c1CC[n+]1cccc(C2OCCO2)c1 ZINC000004566048 371864413 /nfs/dbraw/zinc/86/44/13/371864413.db2.gz OLVHMAFCCMSTIF-UHFFFAOYSA-N 1 0 295.362 2.744 50 0 CFAARO [NH3+][C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 ZINC000004632302 371869367 /nfs/dbraw/zinc/86/93/67/371869367.db2.gz JADRDLCJAMHPII-GFCCVEGCSA-N 1 0 253.305 2.511 50 0 CFAARO CC(C)(C)NC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004679526 371871618 /nfs/dbraw/zinc/87/16/18/371871618.db2.gz DKRADOWFLKQPDA-CQSZACIVSA-N 1 0 278.440 2.969 50 0 CFAARO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000004133195 371836617 /nfs/dbraw/zinc/83/66/17/371836617.db2.gz JPZYFSXOLMVJBX-ZIAGYGMSSA-N 1 0 277.364 2.505 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccn2)no1 ZINC000011873288 371934207 /nfs/dbraw/zinc/93/42/07/371934207.db2.gz XOGJDGLHUZSSOF-LLVKDONJSA-N 1 0 258.325 2.506 50 0 CFAARO C[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000011957860 371938103 /nfs/dbraw/zinc/93/81/03/371938103.db2.gz QQFOVBPDQOFZLV-NSHDSACASA-N 1 0 256.305 2.765 50 0 CFAARO O=C(C1CCC1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000011933090 371939308 /nfs/dbraw/zinc/93/93/08/371939308.db2.gz PNYXRRZXRMIPBH-KRWDZBQOSA-N 1 0 276.424 2.511 50 0 CFAARO Clc1ccc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000012114634 371945158 /nfs/dbraw/zinc/94/51/58/371945158.db2.gz ROGHUOMPUVCGAA-SNVBAGLBSA-N 1 0 263.728 2.857 50 0 in-vitro CFAARO CC1CC[NH+](CCCNC(=O)c2ccccc2)CC1 ZINC000010540208 371910297 /nfs/dbraw/zinc/91/02/97/371910297.db2.gz JGQYZMDXVDMQPE-UHFFFAOYSA-N 1 0 260.381 2.538 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2)C1 ZINC000010542827 371912240 /nfs/dbraw/zinc/91/22/40/371912240.db2.gz WNSFLYVCUYPJMP-GASCZTMLSA-N 1 0 274.408 2.784 50 0 CFAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)n3ccccc3n2)cc1 ZINC000012933317 372001268 /nfs/dbraw/zinc/00/12/68/372001268.db2.gz KFLBGYHOIFAHNG-UHFFFAOYSA-N 1 0 293.370 2.635 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COC1CCCC1 ZINC000012419907 371962968 /nfs/dbraw/zinc/96/29/68/371962968.db2.gz NEIQOMXRXOKOES-HZSPNIEDSA-N 1 0 255.402 2.569 50 0 CFAARO O=C(NCCC[NH+]1CCCCC1)Nc1ccccc1F ZINC000012768309 371985779 /nfs/dbraw/zinc/98/57/79/371985779.db2.gz QMDMPZVNCNFUDF-UHFFFAOYSA-N 1 0 279.359 2.823 50 0 CFAARO Cc1cc(C)cc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000012850984 371990893 /nfs/dbraw/zinc/99/08/93/371990893.db2.gz JETBGTJTRKQVEM-UHFFFAOYSA-N 1 0 274.408 2.906 50 0 CFAARO Cc1occc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012909078 371997705 /nfs/dbraw/zinc/99/77/05/371997705.db2.gz OHVUJJBCCXPZRG-UHFFFAOYSA-N 1 0 298.386 2.982 50 0 CFAARO Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)o1 ZINC000012274745 371950760 /nfs/dbraw/zinc/95/07/60/371950760.db2.gz ZRYHJOJXCJVWIC-UHFFFAOYSA-N 1 0 278.396 2.935 50 0 CFAARO CC(C)NC(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000012382580 371956915 /nfs/dbraw/zinc/95/69/15/371956915.db2.gz XYYZNDDMLQGDHD-UHFFFAOYSA-N 1 0 266.429 2.803 50 0 CFAARO CC(C)COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000012382361 371956946 /nfs/dbraw/zinc/95/69/46/371956946.db2.gz XIAYPWUZLKGIQV-UHFFFAOYSA-N 1 0 290.407 2.545 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000012382529 371957003 /nfs/dbraw/zinc/95/70/03/371957003.db2.gz FJEVXOJWHWKHTG-UHFFFAOYSA-N 1 0 282.334 2.567 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000014137463 372060842 /nfs/dbraw/zinc/06/08/42/372060842.db2.gz HWRMCJKIBFUVMA-UHFFFAOYSA-N 1 0 258.321 2.570 50 0 CFAARO O=C(NCc1ccco1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013678451 372040100 /nfs/dbraw/zinc/04/01/00/372040100.db2.gz GKOQVZSUXYKIEX-UHFFFAOYSA-N 1 0 284.359 2.805 50 0 CFAARO COc1ccccc1[C@H](CC(=O)NCC[NH+](C)C)C(C)C ZINC000013686226 372041667 /nfs/dbraw/zinc/04/16/67/372041667.db2.gz KOJTWCMZLMRZKK-OAHLLOKOSA-N 1 0 292.423 2.503 50 0 CFAARO CC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717648 372043106 /nfs/dbraw/zinc/04/31/06/372043106.db2.gz YZMFHNAYMWAYEM-UHFFFAOYSA-N 1 0 295.346 2.564 50 0 CFAARO COc1ccc(C(=O)O[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000013756377 372048179 /nfs/dbraw/zinc/04/81/79/372048179.db2.gz DXLIAGZRNHJCQN-YWPYICTPSA-N 1 0 277.364 2.581 50 0 CFAARO C[N@H+](CC(=O)N1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000012986647 372008221 /nfs/dbraw/zinc/00/82/21/372008221.db2.gz WKVOHIGTOSLXBR-MRXNPFEDSA-N 1 0 272.392 2.618 50 0 CFAARO NC(=[NH2+])SCCOc1ccc(Cl)cc1Cl ZINC000013069252 372012784 /nfs/dbraw/zinc/01/27/84/372012784.db2.gz KWAJFUKOEVQFKW-UHFFFAOYSA-N 1 0 265.165 2.999 50 0 CFAARO C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccccc1 ZINC000016352036 372105584 /nfs/dbraw/zinc/10/55/84/372105584.db2.gz ORKGYARBWMBFNX-HNNXBMFYSA-N 1 0 285.343 2.581 50 0 CFAARO C[NH+]1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000016580330 372111946 /nfs/dbraw/zinc/11/19/46/372111946.db2.gz XLQNBOOXYQTRSD-UHFFFAOYSA-N 1 0 268.360 2.664 50 0 CFAARO C[NH+]1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000016580265 372111979 /nfs/dbraw/zinc/11/19/79/372111979.db2.gz URSDXPAGZURZLY-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO C[NH+]1CCC(NC(=O)c2c(Cl)cccc2Cl)CC1 ZINC000016605847 372113602 /nfs/dbraw/zinc/11/36/02/372113602.db2.gz AFMVEFXMVSARQL-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO CC(C)Sc1ccccc1C(=O)NCCC[NH+](C)C ZINC000016651721 372115990 /nfs/dbraw/zinc/11/59/90/372115990.db2.gz HUDOFGBZJSURAK-UHFFFAOYSA-N 1 0 280.437 2.869 50 0 CFAARO CCC[N@H+](CCO)Cc1coc2ccc(Cl)cc2c1=O ZINC000016662717 372116769 /nfs/dbraw/zinc/11/67/69/372116769.db2.gz CFPLDJVWJLTPSM-UHFFFAOYSA-N 1 0 295.766 2.651 50 0 CFAARO Fc1cc(Br)ccc1OC1CC[NH2+]CC1 ZINC000014631968 372072052 /nfs/dbraw/zinc/07/20/52/372072052.db2.gz ZOGOUWPDPDQLQG-UHFFFAOYSA-N 1 0 274.133 2.719 50 0 CFAARO Nc1cc(N)[nH+]c(SCc2coc(-c3ccccc3)n2)n1 ZINC000014807259 372073614 /nfs/dbraw/zinc/07/36/14/372073614.db2.gz ZNVJHHPDIJOWJL-UHFFFAOYSA-N 1 0 299.359 2.588 50 0 CFAARO CC[NH2+]CC[C@@H]1CCC(=O)N1C[C@H](C)c1ccccc1 ZINC000014967653 372076462 /nfs/dbraw/zinc/07/64/62/372076462.db2.gz WMGSOPJTXJGKJJ-HOCLYGCPSA-N 1 0 274.408 2.781 50 0 CFAARO O=C1C[C@H]([NH2+]C2CCCCC2)CN1CCc1ccccc1 ZINC000015064937 372079120 /nfs/dbraw/zinc/07/91/20/372079120.db2.gz CBPSEXNWOWVEKN-KRWDZBQOSA-N 1 0 286.419 2.752 50 0 CFAARO Oc1cccc([C@@H](O)C[NH2+]C/C=C/c2ccccc2)c1 ZINC000015416530 372083157 /nfs/dbraw/zinc/08/31/57/372083157.db2.gz LRZWHSLIYLGAOB-JZLODUJNSA-N 1 0 269.344 2.729 50 0 CFAARO O=C(CC1CC[NH2+]CC1)N1CCCC[C@H]1c1cccnc1 ZINC000019686312 372180750 /nfs/dbraw/zinc/18/07/50/372180750.db2.gz IOHLLLCHEMGXLT-INIZCTEOSA-N 1 0 287.407 2.525 50 0 CFAARO Fc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019735232 372182052 /nfs/dbraw/zinc/18/20/52/372182052.db2.gz KKMSCNTZDCYNSC-QGZVFWFLSA-N 1 0 270.351 2.820 50 0 CFAARO C[N@@H+]1CCCN(Cc2ccccc2Br)CC1 ZINC000019537614 372174586 /nfs/dbraw/zinc/17/45/86/372174586.db2.gz AUBPAHGOPMKHON-UHFFFAOYSA-N 1 0 283.213 2.587 50 0 CFAARO CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000019634638 372177604 /nfs/dbraw/zinc/17/76/04/372177604.db2.gz ODJUAKKLJZXSBW-UHFFFAOYSA-N 1 0 256.752 2.617 50 0 CFAARO C[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000019636610 372179113 /nfs/dbraw/zinc/17/91/13/372179113.db2.gz FWYRCAYEZAECOT-HOTGVXAUSA-N 1 0 288.435 2.760 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000017008131 372125451 /nfs/dbraw/zinc/12/54/51/372125451.db2.gz CQFVKFMTQYEFIO-UHFFFAOYSA-N 1 0 279.359 2.820 50 0 CFAARO CCOCC[N@@H+]1CC[C@@H](OC(=O)c2ccccc2)[C@@H](C)C1 ZINC000017246551 372131512 /nfs/dbraw/zinc/13/15/12/372131512.db2.gz WMAVWZGHPBTWHI-GOEBONIOSA-N 1 0 291.391 2.590 50 0 CFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccco1 ZINC000021319783 372241429 /nfs/dbraw/zinc/24/14/29/372241429.db2.gz NHZHDAKGGXXTTJ-UHFFFAOYSA-N 1 0 299.374 2.592 50 0 CFAARO C[N@H+](CCOC(=O)COc1ccccc1)Cc1ccccc1 ZINC000020058142 372225447 /nfs/dbraw/zinc/22/54/47/372225447.db2.gz VJYVWTYPAGIYQA-UHFFFAOYSA-N 1 0 299.370 2.741 50 0 CFAARO C[C@H]([NH2+]Cc1ccccc1)c1ccc2c(c1)NC(=O)CO2 ZINC000020086617 372226898 /nfs/dbraw/zinc/22/68/98/372226898.db2.gz LQZSICWGYHLAQG-LBPRGKRZSA-N 1 0 282.343 2.868 50 0 CFAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OC(C)C ZINC000020092406 372228468 /nfs/dbraw/zinc/22/84/68/372228468.db2.gz GIMOSMNXAWVFMX-AWEZNQCLSA-N 1 0 279.380 2.751 50 0 CFAARO COc1ccc(OCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020118009 372232168 /nfs/dbraw/zinc/23/21/68/372232168.db2.gz JVWRRBCVSDUHFD-KBPBESRZSA-N 1 0 279.380 2.573 50 0 CFAARO CC[C@H](C)c1ccccc1OCCC[NH2+]CCN ZINC000020118670 372232786 /nfs/dbraw/zinc/23/27/86/372232786.db2.gz GGBSNMSACQWJFC-ZDUSSCGKSA-N 1 0 250.386 2.517 50 0 CFAARO COc1ccc2oc(-c3ccc(C[NH3+])cc3)nc2c1 ZINC000020156622 372235570 /nfs/dbraw/zinc/23/55/70/372235570.db2.gz SFYNDFIBMVRHCW-UHFFFAOYSA-N 1 0 254.289 2.962 50 0 CFAARO O[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000019785091 372186602 /nfs/dbraw/zinc/18/66/02/372186602.db2.gz WGKAEQNBTHBDPF-SFHVURJKSA-N 1 0 282.387 2.542 50 0 CFAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC000019789920 372187799 /nfs/dbraw/zinc/18/77/99/372187799.db2.gz QUJMCKIWJMBVEL-WBVHZDCISA-N 1 0 273.424 2.778 50 0 CFAARO Cc1ccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)cc1 ZINC000019789392 372187807 /nfs/dbraw/zinc/18/78/07/372187807.db2.gz QZUZILAQYPEBEU-SFHVURJKSA-N 1 0 290.451 2.520 50 0 CFAARO CCc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000019842373 372197897 /nfs/dbraw/zinc/19/78/97/372197897.db2.gz KWJABDGVKBQOFW-UHFFFAOYSA-N 1 0 295.430 2.962 50 0 CFAARO c1ccc(C[NH+]2CCN(CCOc3ccccc3)CC2)cc1 ZINC000019881256 372201816 /nfs/dbraw/zinc/20/18/16/372201816.db2.gz QYPYISONPBFBFD-UHFFFAOYSA-N 1 0 296.414 2.883 50 0 CFAARO Fc1cccc(Cl)c1C[NH2+][C@H]1CN2CCC1CC2 ZINC000019871708 372202331 /nfs/dbraw/zinc/20/23/31/372202331.db2.gz FHOOZZXBUVNTSV-AWEZNQCLSA-N 1 0 268.763 2.663 50 0 CFAARO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019894192 372204527 /nfs/dbraw/zinc/20/45/27/372204527.db2.gz FATIUBIUGZJMGT-UHFFFAOYSA-N 1 0 291.395 2.571 50 0 CFAARO Cc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)o1 ZINC000025328839 372296512 /nfs/dbraw/zinc/29/65/12/372296512.db2.gz OQKNTONDLLPOFW-LBPRGKRZSA-N 1 0 278.377 2.682 50 0 CFAARO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC000025407785 372299526 /nfs/dbraw/zinc/29/95/26/372299526.db2.gz DMPZGEFLMQQTBP-CQSZACIVSA-N 1 0 290.407 2.576 50 0 CFAARO C[NH+](C)CCN1C[C@H]2c3c4ccccc4[nH]c3CC[C@@H]2C1 ZINC000022023369 372243991 /nfs/dbraw/zinc/24/39/91/372243991.db2.gz XRNHNPCQILWJPN-UKRRQHHQSA-N 1 0 283.419 2.691 50 0 CFAARO ClC1=CC[C@@H]2C[N@H+](CCN3CCCC3)C[C@H]2C1 ZINC000022588963 372246656 /nfs/dbraw/zinc/24/66/56/372246656.db2.gz QLOKZGCVMSPXQI-CHWSQXEVSA-N 1 0 254.805 2.547 50 0 CFAARO c1coc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000022934161 372247654 /nfs/dbraw/zinc/24/76/54/372247654.db2.gz XSDGSCXXPPKFII-CQSZACIVSA-N 1 0 260.337 2.799 50 0 CFAARO CCOc1cccc(C[NH2+]C[C@@H]2CCCN2CC)c1 ZINC000022936404 372248311 /nfs/dbraw/zinc/24/83/11/372248311.db2.gz YAMQVRDTOKUMFQ-HNNXBMFYSA-N 1 0 262.397 2.659 50 0 CFAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000023016738 372250883 /nfs/dbraw/zinc/25/08/83/372250883.db2.gz XJRZEZGMXGRXIZ-UHFFFAOYSA-N 1 0 298.386 2.922 50 0 CFAARO OC[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000023115123 372251775 /nfs/dbraw/zinc/25/17/75/372251775.db2.gz KPBJBDRGPFJSLV-NSHDSACASA-N 1 0 273.298 2.910 50 0 CFAARO C[NH+]1CCC(c2cc(=O)[nH]c(CC3=CCCCC3)n2)CC1 ZINC000023250711 372255682 /nfs/dbraw/zinc/25/56/82/372255682.db2.gz KQKQZXSAHMQVBG-UHFFFAOYSA-N 1 0 287.407 2.622 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC=CCC1 ZINC000024084216 372271299 /nfs/dbraw/zinc/27/12/99/372271299.db2.gz BGCDGUTXHUVZDU-AWEZNQCLSA-N 1 0 272.392 2.721 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)NCc1ccccc1)c1ccccc1 ZINC000025531207 372303446 /nfs/dbraw/zinc/30/34/46/372303446.db2.gz CQFDEAVZQNKFAY-QGZVFWFLSA-N 1 0 297.402 2.789 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000029608575 372383366 /nfs/dbraw/zinc/38/33/66/372383366.db2.gz GCFUHSZJXAYJFK-UHFFFAOYSA-N 1 0 284.762 2.693 50 0 CFAARO COc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2C ZINC000030908623 372401378 /nfs/dbraw/zinc/40/13/78/372401378.db2.gz CWBFCYNKLJVUME-AWEZNQCLSA-N 1 0 271.364 2.596 50 0 CFAARO COc1ccc(NC(=O)NCCC[N@H+](C)C(C)C)cc1 ZINC000031087258 372404263 /nfs/dbraw/zinc/40/42/63/372404263.db2.gz FXDFRNADVFONAM-UHFFFAOYSA-N 1 0 279.384 2.547 50 0 CFAARO COc1ccc(C[NH2+]Cc2ccc3nccnc3c2)cc1 ZINC000033048168 372483376 /nfs/dbraw/zinc/48/33/76/372483376.db2.gz HAENIDPKBLGRIK-UHFFFAOYSA-N 1 0 279.343 2.928 50 0 CFAARO COc1ccc(N(Cc2ccccc2)C(=O)CC[NH3+])cc1 ZINC000032129856 372431414 /nfs/dbraw/zinc/43/14/14/372431414.db2.gz YRZANJDVZLDDCN-UHFFFAOYSA-N 1 0 284.359 2.577 50 0 CFAARO C[C@H](CCCC(C)(C)O)CC[NH2+]CC1(CO)CCC1 ZINC000032603510 372449312 /nfs/dbraw/zinc/44/93/12/372449312.db2.gz KUSGAMCBYRDTSC-CQSZACIVSA-N 1 0 271.445 2.706 50 0 CFAARO C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000032611231 372450561 /nfs/dbraw/zinc/45/05/61/372450561.db2.gz IBIODXRBIPGNBP-DOTOQJQBSA-N 1 0 286.419 2.910 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC000032747848 372458755 /nfs/dbraw/zinc/45/87/55/372458755.db2.gz WHGOEQJRXVXRDO-GOEBONIOSA-N 1 0 272.392 2.762 50 0 CFAARO C[C@@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)[NH+](C)C ZINC000032818617 372466586 /nfs/dbraw/zinc/46/65/86/372466586.db2.gz XUCPMIZVGBPAEZ-LBPRGKRZSA-N 1 0 297.402 2.792 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc2c(c1)CCCC2 ZINC000035055254 372535231 /nfs/dbraw/zinc/53/52/31/372535231.db2.gz RBKXDYYZRCZAQQ-GUYCJALGSA-N 1 0 286.419 2.885 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COC1CCCC1 ZINC000035074992 372535248 /nfs/dbraw/zinc/53/52/48/372535248.db2.gz NEIQOMXRXOKOES-MCIONIFRSA-N 1 0 255.402 2.569 50 0 CFAARO [NH3+][C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000034676234 372512443 /nfs/dbraw/zinc/51/24/43/372512443.db2.gz JMJFHAQBHWEMLC-AWEZNQCLSA-N 1 0 274.751 2.656 50 0 CFAARO C[C@@H](CNC(=O)c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000036077100 372555582 /nfs/dbraw/zinc/55/55/82/372555582.db2.gz BLFATNVYNIJBKI-JTQLQIEISA-N 1 0 284.762 2.693 50 0 CFAARO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)CC ZINC000036095250 372557801 /nfs/dbraw/zinc/55/78/01/372557801.db2.gz ZMHWVCSPNJNJAA-CQSZACIVSA-N 1 0 251.370 2.678 50 0 CFAARO FC(F)(F)Oc1ccccc1C[NH2+]C1CCOCC1 ZINC000036319236 372571897 /nfs/dbraw/zinc/57/18/97/372571897.db2.gz CSSZZLWYISUWGY-UHFFFAOYSA-N 1 0 275.270 2.854 50 0 CFAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1CCCC1 ZINC000035132853 372545582 /nfs/dbraw/zinc/54/55/82/372545582.db2.gz NJALAZMPNRCEFH-WDEREUQCSA-N 1 0 266.410 2.846 50 0 CFAARO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccccc1OC ZINC000036995206 372624438 /nfs/dbraw/zinc/62/44/38/372624438.db2.gz WFDMXXPFMUSFFK-CQSZACIVSA-N 1 0 259.353 2.968 50 0 CFAARO FC(F)(F)C1CCC([NH2+]C2CCOCC2)CC1 ZINC000037092483 372647868 /nfs/dbraw/zinc/64/78/68/372647868.db2.gz CCDWGFHHTMWYTF-UHFFFAOYSA-N 1 0 251.292 2.876 50 0 CFAARO CC(=O)N1CCC([NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC000037138353 372654279 /nfs/dbraw/zinc/65/42/79/372654279.db2.gz LRWXBCJVYCGNCU-JTQLQIEISA-N 1 0 282.334 2.626 50 0 CFAARO Nc1[nH+]c2cc(Cl)ccc2n1CCCn1ccnc1 ZINC000036889606 372606283 /nfs/dbraw/zinc/60/62/83/372606283.db2.gz UTMYQTYKDWLZJM-UHFFFAOYSA-N 1 0 275.743 2.559 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](C)Cc1c(F)cccc1F ZINC000037776099 372706755 /nfs/dbraw/zinc/70/67/55/372706755.db2.gz VEUQNICEUSRNLY-VIFPVBQESA-N 1 0 265.307 2.717 50 0 CFAARO CC[C@H]([NH3+])C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000037801867 372715310 /nfs/dbraw/zinc/71/53/10/372715310.db2.gz KIKOKYQSRBVHMC-ZDUSSCGKSA-N 1 0 284.762 2.707 50 0 CFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cc(C)c(C)o1)C2 ZINC000039388173 372777571 /nfs/dbraw/zinc/77/75/71/372777571.db2.gz MUMWNQKOTCQDPD-CQSZACIVSA-N 1 0 287.359 2.998 50 0 CFAARO CCOC(=O)c1oc2ccc(C[NH+](C)C)cc2c1C ZINC000041195226 372826306 /nfs/dbraw/zinc/82/63/06/372826306.db2.gz VUCSONUXWBTSEG-UHFFFAOYSA-N 1 0 261.321 2.980 50 0 CFAARO CCOc1ccc2nc(C)cc(SCC[NH3+])c2c1 ZINC000041105091 372813877 /nfs/dbraw/zinc/81/38/77/372813877.db2.gz RQYQKJVQAOWKHA-UHFFFAOYSA-N 1 0 262.378 2.993 50 0 CFAARO CN(C)C(C)(C)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000041635487 372855005 /nfs/dbraw/zinc/85/50/05/372855005.db2.gz SEQAUNFBGSZEDT-UHFFFAOYSA-N 1 0 272.396 2.507 50 0 CFAARO O=C(NCCC[NH+]1CCCCCC1)c1c(F)cccc1F ZINC000041800427 372861536 /nfs/dbraw/zinc/86/15/36/372861536.db2.gz ZCPBMNDSVSOLDM-UHFFFAOYSA-N 1 0 296.361 2.961 50 0 CFAARO Fc1cc(F)cc(COCCC2CC[NH2+]CC2)c1 ZINC000042774005 372953693 /nfs/dbraw/zinc/95/36/93/372953693.db2.gz UYKOQCLKDWPXGX-UHFFFAOYSA-N 1 0 255.308 2.871 50 0 CFAARO Fc1ccc(COCC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000042773930 372953769 /nfs/dbraw/zinc/95/37/69/372953769.db2.gz ZNPCLHKQSABSJQ-NSHDSACASA-N 1 0 255.308 2.871 50 0 CFAARO c1ccc2sc(N[C@@H]3CC[N@@H+](C4CC4)C3)nc2c1 ZINC000044411772 373004000 /nfs/dbraw/zinc/00/40/00/373004000.db2.gz KXAXAJJOFYVLSS-SNVBAGLBSA-N 1 0 259.378 2.945 50 0 CFAARO C[C@H]1CCC[N@H+](CCNC(=O)CCc2ccsc2)C1 ZINC000046878470 373064203 /nfs/dbraw/zinc/06/42/03/373064203.db2.gz IGWUJRPJLJDDKZ-ZDUSSCGKSA-N 1 0 280.437 2.529 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccsc1 ZINC000048309414 373161335 /nfs/dbraw/zinc/16/13/35/373161335.db2.gz PFJJJQSEIDDEDT-OCCSQVGLSA-N 1 0 278.421 2.823 50 0 CFAARO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)N1CCCCC1 ZINC000048332883 373163398 /nfs/dbraw/zinc/16/33/98/373163398.db2.gz CSXZNJDZXZUKBB-KRWDZBQOSA-N 1 0 286.419 2.706 50 0 CFAARO Cc1[nH]c2ccccc2c1C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000048364564 373171176 /nfs/dbraw/zinc/17/11/76/373171176.db2.gz PTULEAAPRCBBJK-LBPRGKRZSA-N 1 0 285.391 2.530 50 0 CFAARO C[NH+](C)CCSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000048438966 373182511 /nfs/dbraw/zinc/18/25/11/373182511.db2.gz PBSKJHZQJKAXLH-UHFFFAOYSA-N 1 0 288.376 2.872 50 0 CFAARO COc1ccccc1C[C@@H](C)[N@H+](C)CCc1cn[nH]c1 ZINC000244900011 189915574 /nfs/dbraw/zinc/91/55/74/189915574.db2.gz ZUJAKBWPILTSCC-CYBMUJFWSA-N 1 0 273.380 2.524 50 0 CFAARO CC(C)[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000049398481 373292627 /nfs/dbraw/zinc/29/26/27/373292627.db2.gz PBTXGGARZDSOQY-UHFFFAOYSA-N 1 0 278.396 2.968 50 0 CFAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cccn1 ZINC000051876692 373415828 /nfs/dbraw/zinc/41/58/28/373415828.db2.gz ILXBEWDZUNQOCC-YJBOKZPZSA-N 1 0 299.418 2.545 50 0 CFAARO CC[N@@H+](Cc1cccc(F)c1F)C[C@@H]1CCOC1 ZINC000052071031 373435565 /nfs/dbraw/zinc/43/55/65/373435565.db2.gz QNBQFERVBUCXQR-NSHDSACASA-N 1 0 255.308 2.823 50 0 CFAARO CS[C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000054223118 373506829 /nfs/dbraw/zinc/50/68/29/373506829.db2.gz ZPBLWIULTWRPQZ-NFAWXSAZSA-N 1 0 292.448 2.690 50 0 CFAARO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1 ZINC000053753424 373485545 /nfs/dbraw/zinc/48/55/45/373485545.db2.gz RNUKSOPVHKYAPR-NSHDSACASA-N 1 0 297.349 2.818 50 0 CFAARO CC[N@H+](Cc1cccs1)Cc1ccc(C(N)=O)cc1 ZINC000057327289 373587523 /nfs/dbraw/zinc/58/75/23/373587523.db2.gz JMPLNJBOWNCFOI-UHFFFAOYSA-N 1 0 274.389 2.869 50 0 CFAARO OCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000057353069 373588459 /nfs/dbraw/zinc/58/84/59/373588459.db2.gz OSABOPQFIUDVMQ-UHFFFAOYSA-N 1 0 280.371 2.772 50 0 CFAARO CCCSc1ncc(C[NH2+]C[C@@H]2CC(CC)=NO2)cn1 ZINC000055090096 373538978 /nfs/dbraw/zinc/53/89/78/373538978.db2.gz IVXQEKAYGANYDY-ZDUSSCGKSA-N 1 0 294.424 2.623 50 0 CFAARO C[NH+](C)CCN(Cc1ccsc1)Cc1cccnc1 ZINC000055211184 373543843 /nfs/dbraw/zinc/54/38/43/373543843.db2.gz QXVMUAMIRPMOSA-UHFFFAOYSA-N 1 0 275.421 2.707 50 0 CFAARO CC[C@@H](CO)[N@H+](Cc1cccc(O)c1)Cc1ccccn1 ZINC000055244075 373546716 /nfs/dbraw/zinc/54/67/16/373546716.db2.gz SXZLGXUGXOJFFI-INIZCTEOSA-N 1 0 286.375 2.560 50 0 CFAARO COc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000055422076 373552541 /nfs/dbraw/zinc/55/25/41/373552541.db2.gz VPFDTGPLBQAZNC-ZDUSSCGKSA-N 1 0 284.359 2.812 50 0 CFAARO COC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000056908331 373574480 /nfs/dbraw/zinc/57/44/80/373574480.db2.gz GKWRJFGLFSVXCR-LBPRGKRZSA-N 1 0 296.798 2.637 50 0 CFAARO Oc1cccc(C[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000058195436 373631217 /nfs/dbraw/zinc/63/12/17/373631217.db2.gz GXUSPRSDFVLDLY-UHFFFAOYSA-N 1 0 279.343 2.868 50 0 CFAARO CC[N@H+](C)Cc1cccc(CNC(=O)CC(C)C)c1 ZINC000058201649 373631236 /nfs/dbraw/zinc/63/12/36/373631236.db2.gz VIWNJZWRQMKIES-UHFFFAOYSA-N 1 0 262.397 2.801 50 0 CFAARO [NH2+]=C(NCCCOCc1ccco1)NCc1ccccc1 ZINC000058213969 373634102 /nfs/dbraw/zinc/63/41/02/373634102.db2.gz NOXNLCGHAUMSLL-UHFFFAOYSA-N 1 0 287.363 2.500 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000058275662 373641014 /nfs/dbraw/zinc/64/10/14/373641014.db2.gz NEQUDIWDUYHBBD-HNNXBMFYSA-N 1 0 288.435 2.812 50 0 CFAARO Cc1ccc([C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C2CC2)cc1 ZINC000058309890 373644475 /nfs/dbraw/zinc/64/44/75/373644475.db2.gz PYXHYHCLQAZLER-KSSFIOAISA-N 1 0 296.418 2.974 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2F)C1 ZINC000058307054 373644773 /nfs/dbraw/zinc/64/47/73/373644773.db2.gz INDQVHVKMFUTKW-LBPRGKRZSA-N 1 0 296.361 2.815 50 0 CFAARO Cc1csc(NC(=O)C2CC[NH+](C(C)C)CC2)n1 ZINC000058340898 373645695 /nfs/dbraw/zinc/64/56/95/373645695.db2.gz AGXSDSYOHWAGSG-UHFFFAOYSA-N 1 0 267.398 2.510 50 0 CFAARO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000058357935 373650042 /nfs/dbraw/zinc/65/00/42/373650042.db2.gz WVLSDLBKPADHKT-CQSZACIVSA-N 1 0 290.407 2.545 50 0 CFAARO COc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000058357936 373650198 /nfs/dbraw/zinc/65/01/98/373650198.db2.gz WVLSDLBKPADHKT-AWEZNQCLSA-N 1 0 290.407 2.545 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000058402081 373654702 /nfs/dbraw/zinc/65/47/02/373654702.db2.gz ZPXDTOQLZMHLKQ-KRWDZBQOSA-N 1 0 298.434 2.962 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(C)cc1 ZINC000057828837 373614660 /nfs/dbraw/zinc/61/46/60/373614660.db2.gz SROIJSDDJLMTGV-MRXNPFEDSA-N 1 0 274.408 2.876 50 0 CFAARO NC(=[NH2+])NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000057887582 373616357 /nfs/dbraw/zinc/61/63/57/373616357.db2.gz JBWGTEKTEITIPP-UHFFFAOYSA-N 1 0 259.284 2.601 50 0 CFAARO [NH2+]=C(NCc1ccccc1)NCc1ccc(F)cc1 ZINC000057887262 373617051 /nfs/dbraw/zinc/61/70/51/373617051.db2.gz MMUSRVYCFNVJID-UHFFFAOYSA-N 1 0 257.312 2.640 50 0 CFAARO Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)c(Cl)c1 ZINC000058466943 373661325 /nfs/dbraw/zinc/66/13/25/373661325.db2.gz IRDBEQKGFSQDMG-UHFFFAOYSA-N 1 0 281.787 2.864 50 0 CFAARO Cc1ccsc1CN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611991 373721223 /nfs/dbraw/zinc/72/12/23/373721223.db2.gz GNCSQVCJHMJRRP-AWEZNQCLSA-N 1 0 288.416 2.757 50 0 CFAARO c1cnn(CC[NH2+]Cc2nc(-c3ccccc3)cs2)c1 ZINC000061680947 373722697 /nfs/dbraw/zinc/72/26/97/373722697.db2.gz NJAJYSWKZWDUII-UHFFFAOYSA-N 1 0 284.388 2.796 50 0 CFAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc[nH]1 ZINC000062228643 373754790 /nfs/dbraw/zinc/75/47/90/373754790.db2.gz UCVBDSCMNMFVEU-MRXNPFEDSA-N 1 0 297.402 2.799 50 0 CFAARO Cc1cc(CN(CC[NH+](C)C)Cc2ccccc2C)[nH]n1 ZINC000063870360 373817665 /nfs/dbraw/zinc/81/76/65/373817665.db2.gz FZPVLQHXQFJRTH-UHFFFAOYSA-N 1 0 286.423 2.590 50 0 CFAARO COc1ccnc(NC[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000064114216 373819417 /nfs/dbraw/zinc/81/94/17/373819417.db2.gz SCFOESPOGZSSQE-CQSZACIVSA-N 1 0 286.379 2.508 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000063022330 373782650 /nfs/dbraw/zinc/78/26/50/373782650.db2.gz DMDHVKUYRQYDCO-GFCCVEGCSA-N 1 0 280.799 2.720 50 0 CFAARO c1c2ccccc2oc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065493996 373878908 /nfs/dbraw/zinc/87/89/08/373878908.db2.gz BEVDBQUDRRHAEJ-KGLIPLIRSA-N 1 0 256.349 2.759 50 0 CFAARO CC(C)[N@H+](CCC(N)=O)Cc1cc2ccccc2o1 ZINC000065507366 373878948 /nfs/dbraw/zinc/87/89/48/373878948.db2.gz CHRILDSBGNMTQM-UHFFFAOYSA-N 1 0 260.337 2.519 50 0 CFAARO CC[C@H](c1cccnc1)[N@H+](C)C1CCN(CC)CC1 ZINC000065497440 373879098 /nfs/dbraw/zinc/87/90/98/373879098.db2.gz PACKGWOANMLRMC-MRXNPFEDSA-N 1 0 261.413 2.949 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNc1cc(C)nc(-c2cccnc2)n1 ZINC000065507450 373879927 /nfs/dbraw/zinc/87/99/27/373879927.db2.gz GJJYKZJVWNBSQH-HNNXBMFYSA-N 1 0 297.406 2.743 50 0 CFAARO Cc1[nH+]c(N(C)C)nc(N[C@H](C)Cc2cccnc2)c1C ZINC000065508896 373881667 /nfs/dbraw/zinc/88/16/67/373881667.db2.gz IOKNRNOABZCVHN-LLVKDONJSA-N 1 0 285.395 2.598 50 0 CFAARO CC[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2F)CC1 ZINC000065592069 373891833 /nfs/dbraw/zinc/89/18/33/373891833.db2.gz SRAVUJNEFKWEKK-UHFFFAOYSA-N 1 0 292.398 2.704 50 0 CFAARO CCC[N@H+](Cc1cccs1)Cc1ccn(C)c(=O)c1 ZINC000065285992 373852409 /nfs/dbraw/zinc/85/24/09/373852409.db2.gz GTVOVFYAAUJWFP-UHFFFAOYSA-N 1 0 276.405 2.859 50 0 CFAARO CC(=O)NCCC1=CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000065372323 373859030 /nfs/dbraw/zinc/85/90/30/373859030.db2.gz JDZFZTNIKOCKFS-WEVVVXLNSA-N 1 0 284.403 2.858 50 0 CFAARO Cc1cc(C)nc(N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000065382761 373861339 /nfs/dbraw/zinc/86/13/39/373861339.db2.gz UJNIQWWQWGVBRT-OAHLLOKOSA-N 1 0 270.380 2.808 50 0 CFAARO c1sc(-c2ccncc2)nc1CC[NH2+][C@H]1CCSC1 ZINC000065396430 373865941 /nfs/dbraw/zinc/86/59/41/373865941.db2.gz UEIDAQNIRDEMJB-LBPRGKRZSA-N 1 0 291.445 2.843 50 0 CFAARO c1ncn(CC[C@@H]([NH2+]C2CCCC2)c2ccccc2)n1 ZINC000065396114 373866130 /nfs/dbraw/zinc/86/61/30/373866130.db2.gz SGTJXPOVUVKHOR-MRXNPFEDSA-N 1 0 270.380 2.942 50 0 CFAARO Cc1cc(Cc2nc(C3CC3)nn2-c2cc[nH+]cc2C)on1 ZINC000065469054 373875317 /nfs/dbraw/zinc/87/53/17/373875317.db2.gz DPLIPEGMLVPIEE-UHFFFAOYSA-N 1 0 295.346 2.735 50 0 CFAARO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065474560 373877226 /nfs/dbraw/zinc/87/72/26/373877226.db2.gz DOTFKDGMWLAAAI-CQSZACIVSA-N 1 0 278.371 2.564 50 0 CFAARO O=C(NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000065979454 373906252 /nfs/dbraw/zinc/90/62/52/373906252.db2.gz MSZAUHQWZHFFTI-UHFFFAOYSA-N 1 0 260.381 2.729 50 0 CFAARO C(=C/c1ccccc1)\CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066156649 373917384 /nfs/dbraw/zinc/91/73/84/373917384.db2.gz FOOKWTGDDDQOCZ-RCMYXZNBSA-N 1 0 256.393 2.870 50 0 CFAARO [NH3+]Cc1cc(Br)ccc1OC(F)(F)F ZINC000066325568 373924847 /nfs/dbraw/zinc/92/48/47/373924847.db2.gz NJQPNUQKZRXPOS-UHFFFAOYSA-N 1 0 270.048 2.806 50 0 CFAARO c1nc2c([nH]1)[C@@H](c1ccc(Oc3ccccc3)nc1)NCC2 ZINC000067713435 373994427 /nfs/dbraw/zinc/99/44/27/373994427.db2.gz QENROQOJFFTOBN-MRXNPFEDSA-N 1 0 292.342 2.832 50 0 CFAARO OCCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000067697254 373995176 /nfs/dbraw/zinc/99/51/76/373995176.db2.gz QIIWMHPJBJLKMO-UHFFFAOYSA-N 1 0 299.418 2.697 50 0 CFAARO Cn1ccnc1-c1nccn1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000067713264 373995387 /nfs/dbraw/zinc/99/53/87/373995387.db2.gz QYBMXIYAPIEMJQ-LSDHHAIUSA-N 1 0 299.422 2.548 50 0 CFAARO Cc1ccccc1SCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000067757961 373999493 /nfs/dbraw/zinc/99/94/93/373999493.db2.gz VQDMTQHJCPQWIN-CQSZACIVSA-N 1 0 292.448 2.545 50 0 CFAARO CC(C)=CC[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067774973 374001732 /nfs/dbraw/zinc/00/17/32/374001732.db2.gz CEXDKUUVFAAPAY-LSDHHAIUSA-N 1 0 289.375 2.532 50 0 CFAARO O=C(CCCc1cccs1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067773142 374001807 /nfs/dbraw/zinc/00/18/07/374001807.db2.gz FDVIVZZLNHUCKH-MRXNPFEDSA-N 1 0 292.448 2.673 50 0 CFAARO O=S1CCC([NH2+]Cc2csc3c2CCCC3)CC1 ZINC000067803683 374003546 /nfs/dbraw/zinc/00/35/46/374003546.db2.gz ZINZTNLOVIPPJM-UHFFFAOYSA-N 1 0 283.462 2.628 50 0 CFAARO C=Cc1cccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c1 ZINC000067868967 374010488 /nfs/dbraw/zinc/01/04/88/374010488.db2.gz VOOYRAQSZUKDAP-QGZVFWFLSA-N 1 0 272.392 2.678 50 0 CFAARO C/C=C/CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067878710 374013819 /nfs/dbraw/zinc/01/38/19/374013819.db2.gz JUYCOZOSCDDQCN-HSWBROFVSA-N 1 0 290.382 2.730 50 0 CFAARO Cc1oc(-c2cccc(Cl)c2)nc1CN(C)CCO ZINC000067674381 373990159 /nfs/dbraw/zinc/99/01/59/373990159.db2.gz BEHTZNFFYHFQNU-UHFFFAOYSA-N 1 0 280.755 2.728 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1ccc2nonc2c1 ZINC000067673490 373990445 /nfs/dbraw/zinc/99/04/45/373990445.db2.gz PXOYEIHSQKCXMT-ZDUSSCGKSA-N 1 0 297.362 2.571 50 0 CFAARO CN1CCC[C@]2(CC[N@H+](Cc3cc4ccccc4[nH]3)C2)C1=O ZINC000067678309 373991903 /nfs/dbraw/zinc/99/19/03/373991903.db2.gz PTUIDDDQMZLBDC-GOSISDBHSA-N 1 0 297.402 2.612 50 0 CFAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ncccn2)c1 ZINC000067712880 373993747 /nfs/dbraw/zinc/99/37/47/373993747.db2.gz IQCPDMRMGGHUER-OAHLLOKOSA-N 1 0 283.375 2.924 50 0 CFAARO Cc1cccc2c1NC1(CC[NH+](C3CCCC3)CC1)NC2=O ZINC000069618732 374078992 /nfs/dbraw/zinc/07/89/92/374078992.db2.gz UTMPNMVAXQOLIS-UHFFFAOYSA-N 1 0 299.418 2.885 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@H](C)n1cccn1 ZINC000069349723 374055618 /nfs/dbraw/zinc/05/56/18/374055618.db2.gz BGSKIYDTVOUFFD-GJZGRUSLSA-N 1 0 295.390 2.808 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(Cl)o1)[C@@H](C)n1cccn1 ZINC000069368484 374056400 /nfs/dbraw/zinc/05/64/00/374056400.db2.gz ZPGCXGQWLOPAPB-NXEZZACHSA-N 1 0 253.733 2.869 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1ccnc(-c2ccccc2)n1 ZINC000069351308 374056526 /nfs/dbraw/zinc/05/65/26/374056526.db2.gz HUVDJYJOCBXMLC-CQSZACIVSA-N 1 0 293.374 2.518 50 0 CFAARO CCn1c(C[NH2+][C@H](C)[C@H](C)n2cccn2)nc2ccccc21 ZINC000069372397 374057160 /nfs/dbraw/zinc/05/71/60/374057160.db2.gz KPEWYTLXZBRENU-KGLIPLIRSA-N 1 0 297.406 2.992 50 0 CFAARO C[C@H](CNC(=O)c1ccc(Cl)s1)[NH+]1CCCC1 ZINC000069421006 374061001 /nfs/dbraw/zinc/06/10/01/374061001.db2.gz WLXTXNBFUPBGEN-SECBINFHSA-N 1 0 272.801 2.616 50 0 CFAARO C[C@H](CNC(=O)CCc1ccc(-c2ccccc2)[nH]1)[NH+](C)C ZINC000069451539 374064221 /nfs/dbraw/zinc/06/42/21/374064221.db2.gz ROUJOBNTOQRLOY-CQSZACIVSA-N 1 0 299.418 2.681 50 0 CFAARO CCC[NH+]1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000069438992 374064498 /nfs/dbraw/zinc/06/44/98/374064498.db2.gz WITSRTRHMWFUDZ-UHFFFAOYSA-N 1 0 279.380 2.957 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000289513794 197384509 /nfs/dbraw/zinc/38/45/09/197384509.db2.gz RFJDASQSZBADEU-AWEZNQCLSA-N 1 0 272.392 2.801 50 0 CFAARO CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000069586765 374076607 /nfs/dbraw/zinc/07/66/07/374076607.db2.gz COADBZBYDBRHRN-AWEZNQCLSA-N 1 0 295.814 2.576 50 0 CFAARO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCCCOC)C1 ZINC000069920566 374109303 /nfs/dbraw/zinc/10/93/03/374109303.db2.gz ISOYCHFYZSCXPK-HZPDHXFCSA-N 1 0 298.471 2.820 50 0 CFAARO COc1ccccc1CC[N@H+](C)CCc1ccncc1 ZINC000069922187 374109317 /nfs/dbraw/zinc/10/93/17/374109317.db2.gz PUCAOWIENPWXCV-UHFFFAOYSA-N 1 0 270.376 2.807 50 0 CFAARO C[C@@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069929879 374111667 /nfs/dbraw/zinc/11/16/67/374111667.db2.gz BJSMNHLRNRSLEO-DOTOQJQBSA-N 1 0 284.407 2.764 50 0 CFAARO FC(F)(F)COc1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000069946808 374111923 /nfs/dbraw/zinc/11/19/23/374111923.db2.gz OAWPOSOCEITPJN-UHFFFAOYSA-N 1 0 299.296 2.614 50 0 CFAARO COc1ccccc1C[C@H]1CCC[N@@H+]1CCn1cccn1 ZINC000069683145 374085805 /nfs/dbraw/zinc/08/58/05/374085805.db2.gz VRIYDXCKHKBNKV-MRXNPFEDSA-N 1 0 285.391 2.599 50 0 CFAARO CCCCCNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069701432 374087244 /nfs/dbraw/zinc/08/72/44/374087244.db2.gz BTJXFBMXFSVPAV-MRXNPFEDSA-N 1 0 274.408 2.782 50 0 CFAARO CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701404 374087929 /nfs/dbraw/zinc/08/79/29/374087929.db2.gz HKLWRDKEQSPEPS-ZBFHGGJFSA-N 1 0 274.408 2.781 50 0 CFAARO Cc1nc(CN2CCC[C@@H]([NH2+]CC3CCCCC3)C2)no1 ZINC000069708240 374087961 /nfs/dbraw/zinc/08/79/61/374087961.db2.gz URNDOTMNOZBXTG-OAHLLOKOSA-N 1 0 292.427 2.512 50 0 CFAARO NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000069737333 374091340 /nfs/dbraw/zinc/09/13/40/374091340.db2.gz BSECEPCTEZCCDL-LBPRGKRZSA-N 1 0 286.297 2.718 50 0 CFAARO C[N@@H+]1CC[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000069738409 374091413 /nfs/dbraw/zinc/09/14/13/374091413.db2.gz IADSQAKOTPHBKK-INIZCTEOSA-N 1 0 298.386 2.760 50 0 CFAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2cc(C)no2)c1 ZINC000069816206 374101904 /nfs/dbraw/zinc/10/19/04/374101904.db2.gz LIHTYJRZDILDFG-CQSZACIVSA-N 1 0 274.368 2.543 50 0 CFAARO C[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCOCO1 ZINC000069847423 374105124 /nfs/dbraw/zinc/10/51/24/374105124.db2.gz AJKISJYRIIHLHJ-SECBINFHSA-N 1 0 261.774 2.596 50 0 CFAARO Cn1cc(CCC[N@@H+]2CC[C@@H](c3ccccc3)C2)cn1 ZINC000069894697 374107930 /nfs/dbraw/zinc/10/79/30/374107930.db2.gz MYQFCJSJLPWVLJ-QGZVFWFLSA-N 1 0 269.392 2.842 50 0 CFAARO Cc1csc(N2CC[N@@H+](C[C@@H]3CCCCO3)C[C@@H]2C)n1 ZINC000069920198 374108824 /nfs/dbraw/zinc/10/88/24/374108824.db2.gz SWXIVJQPSWWEPU-KBPBESRZSA-N 1 0 295.452 2.531 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000070172794 374138907 /nfs/dbraw/zinc/13/89/07/374138907.db2.gz JMYXMEZWQQVDQF-ZJUUUORDSA-N 1 0 284.762 2.679 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070173115 374140023 /nfs/dbraw/zinc/14/00/23/374140023.db2.gz XLDDLBFCFXENOI-ZYHUDNBSSA-N 1 0 266.410 2.510 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070176304 374142430 /nfs/dbraw/zinc/14/24/30/374142430.db2.gz ZSYSSWHBCQUKMZ-CMPLNLGQSA-N 1 0 266.410 2.510 50 0 CFAARO CC(C)[NH2+][C@@H](C(=O)N1CCc2sccc2C1)C(C)C ZINC000071921249 374231833 /nfs/dbraw/zinc/23/18/33/374231833.db2.gz UYYGUWRIOYILLE-CQSZACIVSA-N 1 0 280.437 2.655 50 0 CFAARO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000070928292 374206441 /nfs/dbraw/zinc/20/64/41/374206441.db2.gz HRASLAJJONHZMG-UHFFFAOYSA-N 1 0 295.386 2.728 50 0 CFAARO CCO[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000071915710 374231986 /nfs/dbraw/zinc/23/19/86/374231986.db2.gz OANBSOKSFGKUKX-HNNXBMFYSA-N 1 0 286.375 2.529 50 0 CFAARO CC(C)c1nccc(C[N@@H+]2CCC[C@H](Cn3ccnc3)C2)n1 ZINC000071768046 374221466 /nfs/dbraw/zinc/22/14/66/374221466.db2.gz YJSFGBBZBDKMSK-HNNXBMFYSA-N 1 0 299.422 2.709 50 0 CFAARO CC1=C[C@@H](C)C(=O)N(CC[NH+]2CCCCC2)C(C)=C1 ZINC000071787006 374225966 /nfs/dbraw/zinc/22/59/66/374225966.db2.gz IPNISADOOVKOKX-CQSZACIVSA-N 1 0 262.397 2.801 50 0 CFAARO Cc1ccc(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072420520 374251699 /nfs/dbraw/zinc/25/16/99/374251699.db2.gz ODWRLJOFEICOMD-UHFFFAOYSA-N 1 0 293.374 2.538 50 0 CFAARO CC(C)c1cc(N2CCC[N@@H+]3CCC[C@H]3C2)n2nccc2n1 ZINC000072457581 374253878 /nfs/dbraw/zinc/25/38/78/374253878.db2.gz UCESZSJYBIIMIH-AWEZNQCLSA-N 1 0 299.422 2.527 50 0 CFAARO COCCC[N@H+](Cc1cccs1)C1CCN(C)CC1 ZINC000072453983 374254012 /nfs/dbraw/zinc/25/40/12/374254012.db2.gz CVEXVMJAUPUIMC-UHFFFAOYSA-N 1 0 282.453 2.681 50 0 CFAARO Cc1nnc(CN2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC000072462853 374256530 /nfs/dbraw/zinc/25/65/30/374256530.db2.gz CXEQBOBLOIHLMK-AWEZNQCLSA-N 1 0 294.468 2.687 50 0 CFAARO Cc1csc(C(C)(C)[NH2+]CCn2nc(C)cc2C)n1 ZINC000072663168 374273913 /nfs/dbraw/zinc/27/39/13/374273913.db2.gz ZCUUOGJBDONXMC-UHFFFAOYSA-N 1 0 278.425 2.790 50 0 CFAARO CN1C[C@]2(CCC[N@H+](Cc3ccsc3)CC2)OC1=O ZINC000072174139 374234585 /nfs/dbraw/zinc/23/45/85/374234585.db2.gz SUWJWJRKNDSDFD-CQSZACIVSA-N 1 0 280.393 2.555 50 0 CFAARO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC=C(C)C ZINC000072268708 374237289 /nfs/dbraw/zinc/23/72/89/374237289.db2.gz DZVJMNFDOUSEJV-HUUCEWRRSA-N 1 0 264.413 2.818 50 0 CFAARO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H](C)n1cccn1 ZINC000072269764 374238214 /nfs/dbraw/zinc/23/82/14/374238214.db2.gz ACCOJWLLJZYNBQ-CABCVRRESA-N 1 0 295.390 2.808 50 0 CFAARO COc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000072269773 374238380 /nfs/dbraw/zinc/23/83/80/374238380.db2.gz XETBRLHWSBCNLN-NWDGAFQWSA-N 1 0 277.343 2.770 50 0 CFAARO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1nc(C)c(C)s1 ZINC000072305771 374244123 /nfs/dbraw/zinc/24/41/23/374244123.db2.gz UPLXXHKATJOYPO-LBPRGKRZSA-N 1 0 296.440 2.756 50 0 CFAARO C[NH+](C)C[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 ZINC000075105554 374458503 /nfs/dbraw/zinc/45/85/03/374458503.db2.gz QFUMQLVSPLYYEZ-HNNXBMFYSA-N 1 0 294.826 2.825 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cccc1 ZINC000334160311 206121651 /nfs/dbraw/zinc/12/16/51/206121651.db2.gz AWRZSCOGKGAYJC-HZPDHXFCSA-N 1 0 291.439 2.676 50 0 CFAARO CC(C)[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCOCC1 ZINC000077323796 374562536 /nfs/dbraw/zinc/56/25/36/374562536.db2.gz GOXLWVDPLJJINO-GDBMZVCRSA-N 1 0 296.455 2.571 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+](Cc3cnc(C)s3)C2)[nH]n1 ZINC000078901096 374572972 /nfs/dbraw/zinc/57/29/72/374572972.db2.gz PEMWUDUHIGUEDP-LBPRGKRZSA-N 1 0 276.409 2.863 50 0 CFAARO COC[C@@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000079091174 374594744 /nfs/dbraw/zinc/59/47/44/374594744.db2.gz YRPUTACQSFFPEC-CQSZACIVSA-N 1 0 278.396 2.565 50 0 CFAARO Cc1ccccc1[C@H]1CCC[N@H+]1CCS(=O)(=O)C(C)C ZINC000079020151 374583791 /nfs/dbraw/zinc/58/37/91/374583791.db2.gz CMHCTNHRNMRNKQ-MRXNPFEDSA-N 1 0 295.448 2.955 50 0 CFAARO c1cn(-c2ccc(C[N@@H+]3CCO[C@H]4CCC[C@@H]43)cc2)cn1 ZINC000079354368 374606117 /nfs/dbraw/zinc/60/61/17/374606117.db2.gz NZJMBOSCGSHZHF-IRXDYDNUSA-N 1 0 283.375 2.626 50 0 CFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000091915390 291604199 /nfs/dbraw/zinc/60/41/99/291604199.db2.gz SSPBHVZBVCDSBU-DZGCQCFKSA-N 1 0 297.402 2.527 50 0 CFAARO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cccc(O)c1 ZINC000083475278 374746433 /nfs/dbraw/zinc/74/64/33/374746433.db2.gz GGSZDKOIVCOVBQ-UHFFFAOYSA-N 1 0 294.395 2.785 50 0 CFAARO CC(C)(CO)[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083456048 374747141 /nfs/dbraw/zinc/74/71/41/374747141.db2.gz NTNJBWDFXHMBMJ-UHFFFAOYSA-N 1 0 268.407 2.732 50 0 CFAARO C[N@H+](CCn1cncn1)C1c2ccccc2-c2ccccc21 ZINC000081596978 374707515 /nfs/dbraw/zinc/70/75/15/374707515.db2.gz FLPBLIAHYBOBOF-UHFFFAOYSA-N 1 0 290.370 2.980 50 0 CFAARO [NH3+][C@H]1CCCCN(C(=O)OCc2ccccc2Cl)C1 ZINC000082162585 374727980 /nfs/dbraw/zinc/72/79/80/374727980.db2.gz JVJWKJGOINHZNY-LBPRGKRZSA-N 1 0 282.771 2.790 50 0 CFAARO Cc1ccc(Cn2c[n+](Cc3ccc(C)cc3)cn2)cc1 ZINC000252498806 189978745 /nfs/dbraw/zinc/97/87/45/189978745.db2.gz RLURNFJHFQDJIW-UHFFFAOYSA-N 1 0 278.379 2.884 50 0 CFAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000084544269 374781362 /nfs/dbraw/zinc/78/13/62/374781362.db2.gz BYGBMTHOBCQPLC-SJORKVTESA-N 1 0 286.419 2.590 50 0 CFAARO CC[C@@H](C[NH2+]Cc1cnn(C)c1)Oc1cccc(F)c1 ZINC000084674805 374787849 /nfs/dbraw/zinc/78/78/49/374787849.db2.gz UJWUWDBRDRMVHM-AWEZNQCLSA-N 1 0 277.343 2.506 50 0 CFAARO O=C(CCC(F)(F)F)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000088834096 374864100 /nfs/dbraw/zinc/86/41/00/374864100.db2.gz DTINCWHHFDRGIA-UHFFFAOYSA-N 1 0 272.270 2.613 50 0 CFAARO Cn1cccc1C[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000088755544 374862258 /nfs/dbraw/zinc/86/22/58/374862258.db2.gz IQJXXFJJBALYFR-GFCCVEGCSA-N 1 0 291.345 2.672 50 0 CFAARO Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000089729435 374942575 /nfs/dbraw/zinc/94/25/75/374942575.db2.gz URYGJABSRQZHQT-ZBFHGGJFSA-N 1 0 274.408 2.525 50 0 CFAARO Fc1cccc(Cl)c1CC[NH2+]Cc1ncc[nH]1 ZINC000089768045 374947831 /nfs/dbraw/zinc/94/78/31/374947831.db2.gz JZIGJYUJQNXXAZ-UHFFFAOYSA-N 1 0 253.708 2.535 50 0 CFAARO CC[C@@H](CNCc1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000089943461 374975077 /nfs/dbraw/zinc/97/50/77/374975077.db2.gz DOBZUVNIYOFSLT-ZDUSSCGKSA-N 1 0 268.351 2.929 50 0 CFAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC000089948747 374975112 /nfs/dbraw/zinc/97/51/12/374975112.db2.gz IHOYJRGTARHQPB-WGDYAQENSA-N 1 0 286.419 2.936 50 0 CFAARO CC(C)C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccn1 ZINC000090181879 375000745 /nfs/dbraw/zinc/00/07/45/375000745.db2.gz JOVGUURKJXVMHQ-CJNGLKHVSA-N 1 0 287.407 2.522 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)s1 ZINC000090183287 375000907 /nfs/dbraw/zinc/00/09/07/375000907.db2.gz XGEWCESYKDZBIM-NSHDSACASA-N 1 0 287.450 2.532 50 0 CFAARO NC(=O)CC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000092660454 375137173 /nfs/dbraw/zinc/13/71/73/375137173.db2.gz ZCCXGUJHQOOWDA-KZTTYJGESA-N 1 0 290.382 2.816 50 0 CFAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccnc2)cc1 ZINC000092740219 375146684 /nfs/dbraw/zinc/14/66/84/375146684.db2.gz PZZNJZGAADRDCA-CZUORRHYSA-N 1 0 256.349 2.774 50 0 CFAARO OCCC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000092785398 375152500 /nfs/dbraw/zinc/15/25/00/375152500.db2.gz SGKCEFXJRMAACO-NSHDSACASA-N 1 0 255.308 2.702 50 0 CFAARO CCc1ccc(C[NH+]2CCC(c3cnn(C)c3)CC2)o1 ZINC000092808696 375158938 /nfs/dbraw/zinc/15/89/38/375158938.db2.gz SFBNPKZRENPNCC-UHFFFAOYSA-N 1 0 273.380 2.955 50 0 CFAARO Cc1nc(CN[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH]c1C ZINC000571582473 383707430 /nfs/dbraw/zinc/70/74/30/383707430.db2.gz RXBOEUSTQFMURB-WMLDXEAASA-N 1 0 286.423 2.808 50 0 CFAARO Fc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccncc2)cc1F ZINC000095988560 375465938 /nfs/dbraw/zinc/46/59/38/375465938.db2.gz CQYONVVBGGXDLY-HZPDHXFCSA-N 1 0 290.313 2.980 50 0 CFAARO Cc1cc(C)c2c(ncnc2NC[C@@H]2CCCC[N@H+]2C)n1 ZINC000095357972 375419656 /nfs/dbraw/zinc/41/96/56/375419656.db2.gz SQODOFXJZWSWHG-ZDUSSCGKSA-N 1 0 285.395 2.538 50 0 CFAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCc3nc[nH]c3C1)=CC2 ZINC000095360867 375419700 /nfs/dbraw/zinc/41/97/00/375419700.db2.gz LIDMHWXJGFMIKW-STQMWFEESA-N 1 0 257.381 2.760 50 0 CFAARO CCC[C@H]1CN(c2nnc(-c3ccccc3)s2)C[C@@H]1[NH3+] ZINC000095372378 375423324 /nfs/dbraw/zinc/42/33/24/375423324.db2.gz NFHZRFOCPDKHJJ-STQMWFEESA-N 1 0 288.420 2.769 50 0 CFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(c1nnc(C(C)C)s1)C2 ZINC000095386241 375426532 /nfs/dbraw/zinc/42/65/32/375426532.db2.gz CPCDFXNOCWWKIF-CHWSQXEVSA-N 1 0 294.468 2.972 50 0 CFAARO Cc1cnc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cn1 ZINC000095396591 375430575 /nfs/dbraw/zinc/43/05/75/375430575.db2.gz OKOJATCASBQOHW-UHFFFAOYSA-N 1 0 283.375 2.903 50 0 CFAARO CC[C@](CO)([NH2+]Cc1ccc(C)cn1)c1ccccc1 ZINC000095416679 375437267 /nfs/dbraw/zinc/43/72/67/375437267.db2.gz FDPOHZOSBGOTSD-QGZVFWFLSA-N 1 0 270.376 2.777 50 0 CFAARO C[C@@H](CCc1ccco1)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000095419379 375439059 /nfs/dbraw/zinc/43/90/59/375439059.db2.gz PJHZEFPWOSJAHC-RYUDHWBXSA-N 1 0 290.329 2.827 50 0 CFAARO C[C@H]([NH2+]CCCn1cccn1)c1ccc(-n2ccnc2)cc1 ZINC000095419831 375440398 /nfs/dbraw/zinc/44/03/98/375440398.db2.gz RTGFQMRXFWODJT-HNNXBMFYSA-N 1 0 295.390 2.810 50 0 CFAARO CC1(C)C[C@H]([NH2+]CC(=O)Nc2ccccc2)C(C)(C)O1 ZINC000095421098 375440762 /nfs/dbraw/zinc/44/07/62/375440762.db2.gz METDYQIBBCFFCF-ZDUSSCGKSA-N 1 0 276.380 2.561 50 0 CFAARO CC[C@H](COc1ccccc1)[NH2+][C@H](C)c1cnn(C)c1 ZINC000095422431 375441297 /nfs/dbraw/zinc/44/12/97/375441297.db2.gz WRMHKQSBGPNDJG-UKRRQHHQSA-N 1 0 273.380 2.928 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)o1 ZINC000095421417 375441347 /nfs/dbraw/zinc/44/13/47/375441347.db2.gz OEBRORGKZIHEQW-AWEZNQCLSA-N 1 0 286.375 2.945 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)CCC2 ZINC000095423263 375442463 /nfs/dbraw/zinc/44/24/63/375442463.db2.gz XIGLKBRBAIQEPC-IJLUTSLNSA-N 1 0 280.437 2.834 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)cc1 ZINC000095422506 375442673 /nfs/dbraw/zinc/44/26/73/375442673.db2.gz NPPKQAQPXKIOEA-HOCLYGCPSA-N 1 0 263.381 2.841 50 0 CFAARO COc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000095428239 375443116 /nfs/dbraw/zinc/44/31/16/375443116.db2.gz CGMWEOFMOUMJDL-KRWDZBQOSA-N 1 0 284.359 2.744 50 0 CFAARO FC(F)(F)c1cccnc1OCC[NH2+]Cc1ccccn1 ZINC000095431272 375446422 /nfs/dbraw/zinc/44/64/22/375446422.db2.gz AEIHHSXAVYLSHS-UHFFFAOYSA-N 1 0 297.280 2.664 50 0 CFAARO c1ncn(C[C@@H]([NH2+]C[C@@H]2CC=CCC2)c2ccccc2)n1 ZINC000095433971 375446493 /nfs/dbraw/zinc/44/64/93/375446493.db2.gz DGLMORSIHMCSNB-NVXWUHKLSA-N 1 0 282.391 2.965 50 0 CFAARO O=C(c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095434115 375446991 /nfs/dbraw/zinc/44/69/91/375446991.db2.gz QBSBLTOISHFFFC-RDJZCZTQSA-N 1 0 284.403 2.847 50 0 CFAARO CCc1ccc([C@@H](CO)[NH2+]Cc2ccc(N(C)C)nc2)cc1 ZINC000095440174 375450736 /nfs/dbraw/zinc/45/07/36/375450736.db2.gz QQNDEWZFICLECM-QGZVFWFLSA-N 1 0 299.418 2.533 50 0 CFAARO CC(C)=C(F)C(=O)N(CC[NH+](C)C)Cc1cccc(O)c1 ZINC000095445872 375452053 /nfs/dbraw/zinc/45/20/53/375452053.db2.gz NLMFNSGYGUITKC-UHFFFAOYSA-N 1 0 294.370 2.546 50 0 CFAARO Cc1ncccc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000095448860 375453767 /nfs/dbraw/zinc/45/37/67/375453767.db2.gz WGRNRDVPSYSEPT-BXUZGUMPSA-N 1 0 260.337 2.585 50 0 CFAARO CC(C)[N@@H+]1CCCN(Cc2c(F)cccc2F)CC1 ZINC000095453826 375455477 /nfs/dbraw/zinc/45/54/77/375455477.db2.gz JZLVTPXNJJQWJE-UHFFFAOYSA-N 1 0 268.351 2.881 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000097159294 375532018 /nfs/dbraw/zinc/53/20/18/375532018.db2.gz XWZYPGCRGRTXDM-UHFFFAOYSA-N 1 0 295.390 2.545 50 0 CFAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000097145885 375532260 /nfs/dbraw/zinc/53/22/60/375532260.db2.gz XGFJDONUHMCOAV-UONOGXRCSA-N 1 0 291.395 2.617 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000097159610 375533268 /nfs/dbraw/zinc/53/32/68/375533268.db2.gz PPKJKAQEWLRJKH-UHFFFAOYSA-N 1 0 299.422 2.702 50 0 CFAARO CC(C)c1ccc(CC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000097162411 375534148 /nfs/dbraw/zinc/53/41/48/375534148.db2.gz BAPDLIWNUOYDPM-MRXNPFEDSA-N 1 0 274.408 2.550 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1Cn1cccn1 ZINC000097159486 375534264 /nfs/dbraw/zinc/53/42/64/375534264.db2.gz UVFJYCGYCRVJIX-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CC[NH3+] ZINC000097228767 375541897 /nfs/dbraw/zinc/54/18/97/375541897.db2.gz JVNSVKFGHVERDK-CQSZACIVSA-N 1 0 268.788 2.844 50 0 CFAARO COc1ccc([C@H](C)[NH2+][C@]2(C)CCOC2)c(F)c1 ZINC000097038525 375497883 /nfs/dbraw/zinc/49/78/83/375497883.db2.gz NBZMJZXIQDGPRB-IINYFYTJSA-N 1 0 253.317 2.664 50 0 CFAARO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)[C@@H](C)c1ccccc1 ZINC000097234983 375543766 /nfs/dbraw/zinc/54/37/66/375543766.db2.gz USGKEDCJPLCDHO-ZIAGYGMSSA-N 1 0 283.375 2.802 50 0 CFAARO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1COC[C@@H]1O ZINC000097076304 375509251 /nfs/dbraw/zinc/50/92/51/375509251.db2.gz RPVPOCKEWIKLAV-STQMWFEESA-N 1 0 290.190 2.575 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000097096420 375517180 /nfs/dbraw/zinc/51/71/80/375517180.db2.gz QVJWLKXCBCVMEN-KGLIPLIRSA-N 1 0 264.417 2.911 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000097101255 375517939 /nfs/dbraw/zinc/51/79/39/375517939.db2.gz KIYZBSIFXLCOIH-HZPDHXFCSA-N 1 0 279.424 2.860 50 0 CFAARO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000097108869 375521484 /nfs/dbraw/zinc/52/14/84/375521484.db2.gz AVXKNTJCPSUGIS-WCQYABFASA-N 1 0 289.404 2.862 50 0 CFAARO CCn1c(C[NH2+][C@H](C)[C@@H]2CCCO2)nc2c1cccc2F ZINC000097111585 375523098 /nfs/dbraw/zinc/52/30/98/375523098.db2.gz XXLDGPYHDKWZDD-RISCZKNCSA-N 1 0 291.370 2.852 50 0 CFAARO CCn1cc(C[NH2+]C[C@](C)(O)c2ccccc2Cl)cn1 ZINC000097142201 375528739 /nfs/dbraw/zinc/52/87/39/375528739.db2.gz RLFJVIKVHKVCPO-HNNXBMFYSA-N 1 0 293.798 2.554 50 0 CFAARO CC(C)[NH+]1CCC(N[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097238350 375545402 /nfs/dbraw/zinc/54/54/02/375545402.db2.gz PIAUWTBQNUPLCJ-INIZCTEOSA-N 1 0 296.842 2.836 50 0 CFAARO C[C@@H](c1cccnc1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000098013267 375589698 /nfs/dbraw/zinc/58/96/98/375589698.db2.gz HXMIBHARFMMMIV-RDJZCZTQSA-N 1 0 271.408 2.869 50 0 CFAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c(F)c1 ZINC000097374157 375553069 /nfs/dbraw/zinc/55/30/69/375553069.db2.gz SQLKLBYKDLMPQA-HUBLWGQQSA-N 1 0 294.370 2.618 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000097393971 375558200 /nfs/dbraw/zinc/55/82/00/375558200.db2.gz LLIVKKDOPCRFOM-OAHLLOKOSA-N 1 0 294.826 2.873 50 0 CFAARO CSc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000097474884 375564462 /nfs/dbraw/zinc/56/44/62/375564462.db2.gz QLJPVAJTFDZAEO-ZDUSSCGKSA-N 1 0 251.395 2.755 50 0 CFAARO Cc1cc2cc(C(=O)NCCCCCC[NH3+])ccc2o1 ZINC000097492583 375566960 /nfs/dbraw/zinc/56/69/60/375566960.db2.gz SQJSOUNEZLBRHV-UHFFFAOYSA-N 1 0 274.364 2.990 50 0 CFAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000097522163 375568537 /nfs/dbraw/zinc/56/85/37/375568537.db2.gz DNYYHRAJWWCATQ-LBPRGKRZSA-N 1 0 297.362 2.523 50 0 CFAARO C[N@@H+]1CCCC[C@H]1C(=O)NCCCc1ccc(Cl)cc1 ZINC000097579020 375570201 /nfs/dbraw/zinc/57/02/01/375570201.db2.gz GMUBBWICKDROBV-HNNXBMFYSA-N 1 0 294.826 2.873 50 0 CFAARO C(=C\c1ccccc1)\C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000101138712 375634006 /nfs/dbraw/zinc/63/40/06/375634006.db2.gz PIPWJUQTLLYDKF-RLXIPRIJSA-N 1 0 282.391 2.704 50 0 CFAARO C[C@H](c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000112406320 375917697 /nfs/dbraw/zinc/91/76/97/375917697.db2.gz VIGFOTSACNBRLA-LLVKDONJSA-N 1 0 283.213 2.758 50 0 CFAARO CC1(C)[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C[C@H]1c1ccccc1 ZINC000123499916 376954664 /nfs/dbraw/zinc/95/46/64/376954664.db2.gz VUECLIOGQMGFQB-OWCLPIDISA-N 1 0 296.418 2.765 50 0 CFAARO C[N@H+](CN1C(=O)SC(C)(C)C1=O)C(C1CC1)C1CC1 ZINC000132517577 377849695 /nfs/dbraw/zinc/84/96/95/377849695.db2.gz QRYMVLDPZHEAFA-UHFFFAOYSA-N 1 0 282.409 2.538 50 0 CFAARO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(Cl)s1 ZINC000134818786 378051125 /nfs/dbraw/zinc/05/11/25/378051125.db2.gz QJULAGKLCPISDP-ZETCQYMHSA-N 1 0 260.790 2.564 50 0 CFAARO O=C(NC1CC1)[C@H]1CCCN1c1cc[nH+]c2cc(F)ccc21 ZINC000134895543 378060187 /nfs/dbraw/zinc/06/01/87/378060187.db2.gz SWEPCXXBZXUMPC-MRXNPFEDSA-N 1 0 299.349 2.621 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000152591339 378430618 /nfs/dbraw/zinc/43/06/18/378430618.db2.gz SHFLQTBCCIRJEH-NWANDNLSSA-N 1 0 259.397 2.849 50 0 CFAARO C[C@@H](C[NH2+]Cc1nnc2ccccn21)Cc1ccccc1 ZINC000153359672 378487341 /nfs/dbraw/zinc/48/73/41/378487341.db2.gz OCSGAOGRYDWASK-CQSZACIVSA-N 1 0 280.375 2.698 50 0 CFAARO C[C@@H](CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499337 194013195 /nfs/dbraw/zinc/01/31/95/194013195.db2.gz NGHNZZFELNBHNY-HOCLYGCPSA-N 1 0 295.448 2.689 50 0 CFAARO Cc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1Br ZINC000164135903 379007303 /nfs/dbraw/zinc/00/73/03/379007303.db2.gz ZZIQMLKSEBGFGJ-GFCCVEGCSA-N 1 0 283.213 2.681 50 0 CFAARO C[C@@H]([NH3+])[C@H](OC(=O)c1ccccc1)c1ccccc1 ZINC000166132106 379048311 /nfs/dbraw/zinc/04/83/11/379048311.db2.gz ATNVSPSPUIUUPC-DOMZBBRYSA-N 1 0 255.317 2.932 50 0 CFAARO CC(C)c1nc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)no1 ZINC000169676337 379107256 /nfs/dbraw/zinc/10/72/56/379107256.db2.gz DJMKTRBVAXLKJY-CYBMUJFWSA-N 1 0 273.336 2.601 50 0 CFAARO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCCC(C)(C)CC1 ZINC000170639833 379131904 /nfs/dbraw/zinc/13/19/04/379131904.db2.gz XRBGRPYEYKHOOS-CYBMUJFWSA-N 1 0 266.429 2.946 50 0 CFAARO CCc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)sc1C ZINC000335369608 379175470 /nfs/dbraw/zinc/17/54/70/379175470.db2.gz DANSFLODBXBXOK-CMPLNLGQSA-N 1 0 252.383 2.550 50 0 CFAARO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)[nH]1 ZINC000334636926 379677067 /nfs/dbraw/zinc/67/70/67/379677067.db2.gz HPQKBPGMVBBRLK-VIFPVBQESA-N 1 0 282.800 2.818 50 0 CFAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccoc1 ZINC000174938156 379965133 /nfs/dbraw/zinc/96/51/33/379965133.db2.gz RKTHXIPULPBSQI-MRXNPFEDSA-N 1 0 298.386 2.874 50 0 CFAARO Cc1cccc(CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000645778891 383743720 /nfs/dbraw/zinc/74/37/20/383743720.db2.gz KRVBWTQAUDLZGN-CQSZACIVSA-N 1 0 270.380 2.535 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000409420967 380958672 /nfs/dbraw/zinc/95/86/72/380958672.db2.gz OOUOMGKOOAZGGM-CQSZACIVSA-N 1 0 289.423 2.964 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000409421011 380958898 /nfs/dbraw/zinc/95/88/98/380958898.db2.gz WOJMJHDJSFKKAW-CQSZACIVSA-N 1 0 275.396 2.539 50 0 CFAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)c2ccoc2)CC1 ZINC000409420955 380959875 /nfs/dbraw/zinc/95/98/75/380959875.db2.gz LJIBHBKCOFEQJY-UHFFFAOYSA-N 1 0 287.363 2.645 50 0 CFAARO COc1ccccc1[C@H]1[C@@H]([NH3+])CCCN1C(=O)CC(C)C ZINC000408520196 380938347 /nfs/dbraw/zinc/93/83/47/380938347.db2.gz SPUYJLUTPKPRQT-YOEHRIQHSA-N 1 0 290.407 2.732 50 0 CFAARO COc1ccc([C@H]([NH2+]CC[C@H]2CCNC2=O)C(C)C)cc1 ZINC000408523303 380939151 /nfs/dbraw/zinc/93/91/51/380939151.db2.gz IPCMJJSFLQBONE-GOEBONIOSA-N 1 0 290.407 2.508 50 0 CFAARO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1c1ccccc1 ZINC000411992211 381086293 /nfs/dbraw/zinc/08/62/93/381086293.db2.gz ZXLHYKRVOPWZRC-JKSUJKDBSA-N 1 0 298.361 2.527 50 0 CFAARO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000049396735 412940900 /nfs/dbraw/zinc/94/09/00/412940900.db2.gz QPQDHXBVDPANHI-CQSZACIVSA-N 1 0 275.396 2.847 50 0 CFAARO COc1cc([C@@H](C)[NH2+]Cc2cccnc2C)ccn1 ZINC000342313451 381272014 /nfs/dbraw/zinc/27/20/14/381272014.db2.gz XIBMVCFFVNDTNU-LLVKDONJSA-N 1 0 257.337 2.644 50 0 CFAARO O=C(C[NH+]1CCCCC1)N[C@H]1CCc2cc3c(cc21)CCC3 ZINC000000347541 169613732 /nfs/dbraw/zinc/61/37/32/169613732.db2.gz KJYHTMYAKRIPLQ-SFHVURJKSA-N 1 0 298.430 2.765 50 0 CFAARO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cnccn1 ZINC000186321638 381881266 /nfs/dbraw/zinc/88/12/66/381881266.db2.gz RMXAWDIIWJKAFG-ZQIUZPCESA-N 1 0 284.407 2.819 50 0 CFAARO CN(CC[N@H+](C)C1CCCC1)C[C@@H](O)c1ccccc1 ZINC000299786579 382047537 /nfs/dbraw/zinc/04/75/37/382047537.db2.gz VQTCQHDQYSMQJL-QGZVFWFLSA-N 1 0 276.424 2.526 50 0 CFAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000299787482 382047838 /nfs/dbraw/zinc/04/78/38/382047838.db2.gz MKGIRSNSZSHBNA-SECBINFHSA-N 1 0 263.291 2.822 50 0 CFAARO Fc1cc(F)cc(C2CC([NH2+]CCn3ccnc3)C2)c1 ZINC000377546920 382289228 /nfs/dbraw/zinc/28/92/28/382289228.db2.gz BNLKCGUKEPSOKE-UHFFFAOYSA-N 1 0 277.318 2.697 50 0 CFAARO [NH3+]CCc1ccc(C(=O)N2C[C@H]3[C@@H](C2)C2CCC3CC2)cc1 ZINC000071770812 184575353 /nfs/dbraw/zinc/57/53/53/184575353.db2.gz NNQGTIUCLXQILN-SAJCDORXSA-N 1 0 298.430 2.696 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1F ZINC000071772303 184576025 /nfs/dbraw/zinc/57/60/25/184576025.db2.gz CVKDNKBOYVSFRO-CYBMUJFWSA-N 1 0 290.382 2.963 50 0 CFAARO COC(=O)C1CCC([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000192441552 382708827 /nfs/dbraw/zinc/70/88/27/382708827.db2.gz IJZIDPVXKGSXHB-VOMCLLRMSA-N 1 0 282.409 2.834 50 0 CFAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1Cl ZINC000195445254 382767910 /nfs/dbraw/zinc/76/79/10/382767910.db2.gz YKEDZGNXISMFIY-ZDUSSCGKSA-N 1 0 271.813 2.606 50 0 CFAARO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1Cl ZINC000195451120 382768284 /nfs/dbraw/zinc/76/82/84/382768284.db2.gz VPHYCYZOQVJNSP-AAEUAGOBSA-N 1 0 253.773 2.899 50 0 CFAARO Cc1ccc(-c2ccccc2CN2CC[C@H]([NH3+])C2)o1 ZINC000215233941 382778016 /nfs/dbraw/zinc/77/80/16/382778016.db2.gz PHKULUXAICREMB-AWEZNQCLSA-N 1 0 256.349 2.788 50 0 CFAARO CCN(CCn1cccn1)Cc1nc2c(s1)CCCC2 ZINC000215406961 382778432 /nfs/dbraw/zinc/77/84/32/382778432.db2.gz LJKPHTFRBSJTKU-UHFFFAOYSA-N 1 0 290.436 2.741 50 0 CFAARO [NH3+][C@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1 ZINC000215647242 382779569 /nfs/dbraw/zinc/77/95/69/382779569.db2.gz WOHRPWZNUCJABI-AWEZNQCLSA-N 1 0 260.381 2.541 50 0 CFAARO c1cc(C[NH+]2CCC(OCc3ccccn3)CC2)co1 ZINC000215656100 382779578 /nfs/dbraw/zinc/77/95/78/382779578.db2.gz WACRTHLHAVFOHP-UHFFFAOYSA-N 1 0 272.348 2.856 50 0 CFAARO CC[N@@H+]1CCC[C@H](CN2CCc3[nH]nc(C(C)C)c3C2)C1 ZINC000215564445 382779642 /nfs/dbraw/zinc/77/96/42/382779642.db2.gz PGKFBXWBVZKJJJ-AWEZNQCLSA-N 1 0 290.455 2.623 50 0 CFAARO CC[C@H](c1ccccn1)N(C)Cc1cnn(C)c1C ZINC000215730579 382780350 /nfs/dbraw/zinc/78/03/50/382780350.db2.gz IPYJICMZFQXSMM-OAHLLOKOSA-N 1 0 258.369 2.707 50 0 CFAARO CC(C)n1cncc1C[N@H+](C)CCc1ccccn1 ZINC000216137993 382781800 /nfs/dbraw/zinc/78/18/00/382781800.db2.gz IKEYJLXURXINSL-UHFFFAOYSA-N 1 0 258.369 2.534 50 0 CFAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)C[C@H]3CCOC3)c2)n1 ZINC000216313889 382783037 /nfs/dbraw/zinc/78/30/37/382783037.db2.gz VTFMBCXYELPPNV-QGZVFWFLSA-N 1 0 299.418 2.957 50 0 CFAARO CCCO[C@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000216546503 382784109 /nfs/dbraw/zinc/78/41/09/382784109.db2.gz MPHSGIBKARPHGJ-HNNXBMFYSA-N 1 0 265.401 2.855 50 0 CFAARO CCCO[C@@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000216546449 382784171 /nfs/dbraw/zinc/78/41/71/382784171.db2.gz MPHSGIBKARPHGJ-OAHLLOKOSA-N 1 0 265.401 2.855 50 0 CFAARO CC(=O)N1CCC(C[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000194387974 382742757 /nfs/dbraw/zinc/74/27/57/382742757.db2.gz UBQFINWEPKQXDQ-AWEZNQCLSA-N 1 0 274.408 2.638 50 0 CFAARO COCc1nc2n(n1)CCC[C@@H]2[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000221673010 382798667 /nfs/dbraw/zinc/79/86/67/382798667.db2.gz KOTGXINIQKHREC-BZPMIXESSA-N 1 0 292.427 2.674 50 0 CFAARO Cc1ccc(/C=C\C(=O)Nc2ccc3c(c2)C[NH2+]CC3)o1 ZINC000221929998 382800291 /nfs/dbraw/zinc/80/02/91/382800291.db2.gz GWHNJLDFBCFWHP-SREVYHEPSA-N 1 0 282.343 2.886 50 0 CFAARO CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000224096681 382809352 /nfs/dbraw/zinc/80/93/52/382809352.db2.gz CESFOVNVFNXRAX-HEHGZKQESA-N 1 0 261.365 2.849 50 0 CFAARO COc1ccc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000225322705 382814403 /nfs/dbraw/zinc/81/44/03/382814403.db2.gz VXTXHRVTNMKRQZ-KRWDZBQOSA-N 1 0 297.402 2.579 50 0 CFAARO C[C@H](c1ccccc1)n1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)n1 ZINC000225489279 382817071 /nfs/dbraw/zinc/81/70/71/382817071.db2.gz FWOAEYFTRNHJQH-HIFRSBDPSA-N 1 0 298.390 2.573 50 0 CFAARO CC(=O)N1CC[N@H+](CCCCC2CCOCC2)C(C)(C)C1 ZINC000225628247 382819507 /nfs/dbraw/zinc/81/95/07/382819507.db2.gz AOTZZPAQWUZBPI-UHFFFAOYSA-N 1 0 296.455 2.526 50 0 CFAARO C[C@H](C(N)=O)[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000229358078 382851205 /nfs/dbraw/zinc/85/12/05/382851205.db2.gz MRDZRNNDCOVKEW-CXAGYDPISA-N 1 0 280.371 2.508 50 0 CFAARO C[N@@H+]1C[C@@H](C(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751722 382831179 /nfs/dbraw/zinc/83/11/79/382831179.db2.gz ZJWWAGNNJPQPEN-QZTJIDSGSA-N 1 0 294.398 2.648 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000230092425 382855692 /nfs/dbraw/zinc/85/56/92/382855692.db2.gz ZZIMSIYCKBUDFC-MJEQTWJJSA-N 1 0 291.439 2.592 50 0 CFAARO O[C@H](CN1CCO[C@@H]2CCCC[C@H]21)c1cc(F)ccc1F ZINC000230250241 382857857 /nfs/dbraw/zinc/85/78/57/382857857.db2.gz KCAOOLNXPAUADJ-BZUAXINKSA-N 1 0 297.345 2.642 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000233985566 382872263 /nfs/dbraw/zinc/87/22/63/382872263.db2.gz ATQCPKJYYGGPLX-QWHCGFSZSA-N 1 0 253.415 2.537 50 0 CFAARO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc2ccccc21 ZINC000236713995 382910510 /nfs/dbraw/zinc/91/05/10/382910510.db2.gz KHYHCJQGBOGAQQ-INIZCTEOSA-N 1 0 270.376 2.782 50 0 CFAARO COc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1-c1ccccc1 ZINC000237122449 382951561 /nfs/dbraw/zinc/95/15/61/382951561.db2.gz SCPRWXYKPYFFMG-HNNXBMFYSA-N 1 0 296.370 2.535 50 0 CFAARO C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000237313034 382956138 /nfs/dbraw/zinc/95/61/38/382956138.db2.gz XXBTZDPKXZFCDB-VXGBXAGGSA-N 1 0 274.364 2.508 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000237383684 382959135 /nfs/dbraw/zinc/95/91/35/382959135.db2.gz SQCBPAKVNTWMML-DGCLKSJQSA-N 1 0 296.361 2.626 50 0 CFAARO Cc1ccc2cc(C(=O)N3CC[C@@H]([NH3+])C[C@H]3C)c(C)nc2c1 ZINC000237415424 382959725 /nfs/dbraw/zinc/95/97/25/382959725.db2.gz MESOFNFHJHBBLC-IUODEOHRSA-N 1 0 297.402 2.803 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000237466128 382961643 /nfs/dbraw/zinc/96/16/43/382961643.db2.gz GMOFEKNKSDFPGA-GXTWGEPZSA-N 1 0 294.826 2.858 50 0 CFAARO CCCCc1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000236895805 382928073 /nfs/dbraw/zinc/92/80/73/382928073.db2.gz KDLALBXHWDPMFD-YOEHRIQHSA-N 1 0 288.435 2.910 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000238045677 382977853 /nfs/dbraw/zinc/97/78/53/382977853.db2.gz OYSZIHGONFMREL-KTRBRXNASA-N 1 0 298.308 2.668 50 0 CFAARO CC[NH+](CC)CCSc1ncc(SC)cn1 ZINC000240900778 382982328 /nfs/dbraw/zinc/98/23/28/382982328.db2.gz ITUVBFCEWIPPBW-UHFFFAOYSA-N 1 0 257.428 2.632 50 0 CFAARO Clc1ccccc1N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000243893248 382987366 /nfs/dbraw/zinc/98/73/66/382987366.db2.gz APSWWEOHEFSKJR-AWEZNQCLSA-N 1 0 294.826 2.889 50 0 CFAARO C[N@H+](CCCn1cccn1)C[C@H]1CCN(c2ccccc2)C1 ZINC000244691737 382989774 /nfs/dbraw/zinc/98/97/74/382989774.db2.gz JIGDRYLBTZIZHT-QGZVFWFLSA-N 1 0 298.434 2.732 50 0 CFAARO O=C(NC[C@H]1CCCCC[NH2+]1)c1ccc(Cl)c(F)c1 ZINC000244659651 382990053 /nfs/dbraw/zinc/99/00/53/382990053.db2.gz HGOROKVUKAZHDS-LLVKDONJSA-N 1 0 284.762 2.741 50 0 CFAARO c1ccc(COC2CC[NH+](C3CCSCC3)CC2)nc1 ZINC000244718860 382990998 /nfs/dbraw/zinc/99/09/98/382990998.db2.gz LSGRPWYAWJDEOD-UHFFFAOYSA-N 1 0 292.448 2.958 50 0 CFAARO COc1ccc(CN(C)Cc2nnc(C)o2)c2cccnc12 ZINC000244794832 382992512 /nfs/dbraw/zinc/99/25/12/382992512.db2.gz QUTUSVISAXDEBH-UHFFFAOYSA-N 1 0 298.346 2.567 50 0 CFAARO C[C@H]1C[N@H+](Cc2cncn2Cc2ccccc2)CCCO1 ZINC000244858676 382993288 /nfs/dbraw/zinc/99/32/88/382993288.db2.gz VQDGQFMWHIMKKD-HNNXBMFYSA-N 1 0 285.391 2.542 50 0 CFAARO Cc1nc(CN(C)CCC[C@H]2CCCO2)cs1 ZINC000244858401 382993441 /nfs/dbraw/zinc/99/34/41/382993441.db2.gz VKLQMXGNEVPFKK-ZDUSSCGKSA-N 1 0 254.399 2.843 50 0 CFAARO CC[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cccc(O)c1 ZINC000244874561 382994255 /nfs/dbraw/zinc/99/42/55/382994255.db2.gz XDEIPPIMCRCYRY-AWEZNQCLSA-N 1 0 278.396 2.517 50 0 CFAARO Cc1ccnc(C[C@@H](C)N(C)Cc2nccs2)c1 ZINC000244882896 382994603 /nfs/dbraw/zinc/99/46/03/382994603.db2.gz YBDYMBRGXKIZQA-GFCCVEGCSA-N 1 0 261.394 2.910 50 0 CFAARO CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000245238004 382996665 /nfs/dbraw/zinc/99/66/65/382996665.db2.gz CESFOVNVFNXRAX-DVOMOZLQSA-N 1 0 261.365 2.849 50 0 CFAARO Cc1ccc2cccc(C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])c2n1 ZINC000237637809 382967591 /nfs/dbraw/zinc/96/75/91/382967591.db2.gz OTSRTFFSCZDPQB-BLLLJJGKSA-N 1 0 297.402 2.743 50 0 CFAARO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1C1CCCCC1 ZINC000237708440 382968388 /nfs/dbraw/zinc/96/83/88/382968388.db2.gz WRTHVVLGAJFOAE-AWEZNQCLSA-N 1 0 289.423 2.783 50 0 CFAARO CCN1CCCC[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000447936633 383031748 /nfs/dbraw/zinc/03/17/48/383031748.db2.gz QQEDWIBTDFKGBZ-KRWDZBQOSA-N 1 0 298.434 2.836 50 0 CFAARO c1nnc(C[NH2+]CC2CCSCC2)n1-c1ccccc1 ZINC000585117398 383114992 /nfs/dbraw/zinc/11/49/92/383114992.db2.gz AOHJIKJDBUYTMN-UHFFFAOYSA-N 1 0 288.420 2.500 50 0 CFAARO O=C([C@@H]1CCCc2ccccc21)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000247959263 383201572 /nfs/dbraw/zinc/20/15/72/383201572.db2.gz WOKFBZXQLBMJOX-FUHWJXTLSA-N 1 0 298.430 2.803 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000248088820 383210538 /nfs/dbraw/zinc/21/05/38/383210538.db2.gz BTNVJXOYUPKCPZ-LSDHHAIUSA-N 1 0 276.355 2.525 50 0 CFAARO Cc1ncsc1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247280106 383159472 /nfs/dbraw/zinc/15/94/72/383159472.db2.gz YNSNXIOEDSJHRC-YPMHNXCESA-N 1 0 276.409 2.731 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000248159000 383215325 /nfs/dbraw/zinc/21/53/25/383215325.db2.gz WSMPWDFCLKOMTB-GHMZBOCLSA-N 1 0 282.771 2.632 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1cccs1 ZINC000248155294 383215949 /nfs/dbraw/zinc/21/59/49/383215949.db2.gz VKCZSOYHFAWKHT-HUUCEWRRSA-N 1 0 292.448 2.766 50 0 CFAARO C[C@H](CC[N@@H+]1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000249038665 383319472 /nfs/dbraw/zinc/31/94/72/383319472.db2.gz TZSPGXPYHXCEHE-SJLPKXTDSA-N 1 0 288.435 2.587 50 0 CFAARO CC1(C)CN(c2ccnc(N)n2)C[C@H]1c1ccccc1 ZINC000426433663 383400529 /nfs/dbraw/zinc/40/05/29/383400529.db2.gz OEJVYGGIBVIGKN-ZDUSSCGKSA-N 1 0 268.364 2.519 50 0 CFAARO C[C@H](c1cccc(-c2cnc3ncnn3c2)c1)[NH+]1CCCC1 ZINC000426503451 383403154 /nfs/dbraw/zinc/40/31/54/383403154.db2.gz SUJQWURJWUJFGB-CYBMUJFWSA-N 1 0 293.374 2.948 50 0 CFAARO C[C@H](O)c1nc2cc(-c3ccc(N(C)C)nc3)ccc2[nH]1 ZINC000426504027 383403169 /nfs/dbraw/zinc/40/31/69/383403169.db2.gz PMUMUPZCWYZFCF-JTQLQIEISA-N 1 0 282.347 2.744 50 0 CFAARO Cc1cnccc1-c1ccc(C(=O)N[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000426544367 383405832 /nfs/dbraw/zinc/40/58/32/383405832.db2.gz IRNNJTZIENZAED-CVEARBPZSA-N 1 0 295.386 2.667 50 0 CFAARO Cc1cc(-c2ccccc2)nc(CN2CCC[C@H]([NH3+])CC2)n1 ZINC000252487796 383412744 /nfs/dbraw/zinc/41/27/44/383412744.db2.gz IBSCGOBDCDGGSL-INIZCTEOSA-N 1 0 296.418 2.765 50 0 CFAARO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)C1CC1)CC2 ZINC000252487606 383412905 /nfs/dbraw/zinc/41/29/05/383412905.db2.gz ZJPFLTIUBQBMDJ-BMFZPTHFSA-N 1 0 293.455 2.689 50 0 CFAARO CCSCc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000252499791 383414390 /nfs/dbraw/zinc/41/43/90/383414390.db2.gz SEJGJZQBXDGKDU-CYBMUJFWSA-N 1 0 264.394 2.630 50 0 CFAARO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000250973023 383383845 /nfs/dbraw/zinc/38/38/45/383383845.db2.gz FXSGUWYUWGYXDI-AEGPPILISA-N 1 0 263.381 2.519 50 0 CFAARO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](OCCC(C)C)C2)cn1 ZINC000253432543 383460163 /nfs/dbraw/zinc/46/01/63/383460163.db2.gz LCSKXBGOKYRJNK-CABCVRRESA-N 1 0 277.412 2.983 50 0 CFAARO CC[C@H](COC)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000252512281 383416840 /nfs/dbraw/zinc/41/68/40/383416840.db2.gz OTECVMHJLUSALA-NXHRZFHOSA-N 1 0 290.451 2.912 50 0 CFAARO CCN(C(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C)C1CCCCC1 ZINC000252516280 383417197 /nfs/dbraw/zinc/41/71/97/383417197.db2.gz RFUKKFHNOLOTFL-ZIAGYGMSSA-N 1 0 298.496 2.993 50 0 CFAARO Cc1nc(C)c(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])s1 ZINC000262941679 383646247 /nfs/dbraw/zinc/64/62/47/383646247.db2.gz IXPQDGYQYBTWBA-GWCFXTLKSA-N 1 0 267.398 2.606 50 0 CFAARO O=C1N(C2CCCC2)CCC[C@@]12CCN(c1cc[nH+]cc1)C2 ZINC000091779590 296352384 /nfs/dbraw/zinc/35/23/84/296352384.db2.gz ONZPMBWXFRDJDW-SFHVURJKSA-N 1 0 299.418 2.843 50 0 CFAARO Cc1cnccc1CC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000574531270 384112867 /nfs/dbraw/zinc/11/28/67/384112867.db2.gz OIKHKCASVIIHEL-AWEZNQCLSA-N 1 0 280.375 2.931 50 0 CFAARO CCc1ccc([C@@H](O)C[NH2+]C2CC(OC(C)C)C2)cc1 ZINC000289339588 197303686 /nfs/dbraw/zinc/30/36/86/197303686.db2.gz HRAZIBZXWGKUAL-JCYILVPMSA-N 1 0 277.408 2.828 50 0 CFAARO COc1ccc([C@@H](C)C[NH2+]C2(CO)CCCC2)cc1 ZINC000096494086 533097901 /nfs/dbraw/zinc/09/79/01/533097901.db2.gz FVXFQWZEAGDBPU-ZDUSSCGKSA-N 1 0 263.381 2.693 50 0 CFAARO CC1(C)C[N@H+](CCn2cccn2)Cc2ccccc2O1 ZINC000289142568 197244851 /nfs/dbraw/zinc/24/48/51/197244851.db2.gz YQQPLKXNZZVNAN-UHFFFAOYSA-N 1 0 271.364 2.556 50 0 CFAARO O=C(c1ccc(Cl)s1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289090099 197231803 /nfs/dbraw/zinc/23/18/03/197231803.db2.gz BMHRSULLMHDCCJ-CYBMUJFWSA-N 1 0 284.812 2.617 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)nn1 ZINC000283276474 385452324 /nfs/dbraw/zinc/45/23/24/385452324.db2.gz WVXUKZCKFIMNNP-HNNXBMFYSA-N 1 0 298.390 2.562 50 0 CFAARO CSc1ccc(C)c(NC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000272371178 385521087 /nfs/dbraw/zinc/52/10/87/385521087.db2.gz PMKGKLZGMRXNGI-UHFFFAOYSA-N 1 0 293.436 2.886 50 0 CFAARO CCC[C@@]1(CO)CC[N@H+](CCOc2cccc(C)c2)C1 ZINC000288861415 197181130 /nfs/dbraw/zinc/18/11/30/197181130.db2.gz PVOONUMUCSQYGO-QGZVFWFLSA-N 1 0 277.408 2.858 50 0 CFAARO O=[N+]1C(c2ccc3c(c2)OCO3)=CN(O)[C@@H]2CCCC[C@@H]21 ZINC000334158883 285191148 /nfs/dbraw/zinc/19/11/48/285191148.db2.gz JRPNCWOLLUULFP-NEPJUHHUSA-N 1 0 289.311 2.509 50 0 CFAARO c1ccc2[nH]c(SC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2c1 ZINC000095908609 256881932 /nfs/dbraw/zinc/88/19/32/256881932.db2.gz JUXMBKZYHYJNSV-ZACCUICWSA-N 1 0 259.378 2.938 50 0 CFAARO c1coc(-c2n[nH]c(CC[NH2+]C[C@@H]3CC=CCC3)n2)c1 ZINC000095434014 184983934 /nfs/dbraw/zinc/98/39/34/184983934.db2.gz DAYJWRRXBXYWKG-GFCCVEGCSA-N 1 0 272.352 2.553 50 0 CFAARO C[C@@H](NCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000096489815 533391985 /nfs/dbraw/zinc/39/19/85/533391985.db2.gz DBGFYLIDPNWRHN-CQSZACIVSA-N 1 0 261.413 2.997 50 0 CFAARO c1cc2ncnc(N3CCC[C@H]([NH+]4CCCC4)C3)c2s1 ZINC000071811116 285465163 /nfs/dbraw/zinc/46/51/63/285465163.db2.gz NZRNOGWRQWCADR-LBPRGKRZSA-N 1 0 288.420 2.756 50 0 CFAARO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262622578 131243426 /nfs/dbraw/zinc/24/34/26/131243426.db2.gz JHDPNAAEIZHWGS-SYAUCNOPSA-N 1 0 272.392 2.518 50 0 CFAARO C[N@@H+]1CCC[C@H]1C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000263847868 131345556 /nfs/dbraw/zinc/34/55/56/131345556.db2.gz BQBGDGCZWRZVPF-AWEZNQCLSA-N 1 0 292.810 2.582 50 0 CFAARO C[N@H+](Cc1nc(-c2ccccn2)no1)C1CCCCC1 ZINC000012430058 393472853 /nfs/dbraw/zinc/47/28/53/393472853.db2.gz PLIIOEKXEJFFAZ-UHFFFAOYSA-N 1 0 272.352 2.896 50 0 CFAARO O[C@@H](C[NH2+]Cc1ccccc1)COc1ccccc1Cl ZINC000032151741 393511503 /nfs/dbraw/zinc/51/15/03/393511503.db2.gz UNZUVLQKBIFXJL-AWEZNQCLSA-N 1 0 291.778 2.870 50 0 CFAARO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000186690964 393548097 /nfs/dbraw/zinc/54/80/97/393548097.db2.gz VUFOGACDOZQUEG-JOYOIKCWSA-N 1 0 292.379 2.768 50 0 CFAARO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ncc1Br ZINC000382445624 393572168 /nfs/dbraw/zinc/57/21/68/393572168.db2.gz JEUJJAIPUVSBPX-UWVGGRQHSA-N 1 0 284.201 2.834 50 0 CFAARO CC[C@H](CNc1nc(C)nc2sccc21)[NH+](C)C ZINC000055052534 393620060 /nfs/dbraw/zinc/62/00/60/393620060.db2.gz FFMQPVRVCDZHHQ-SNVBAGLBSA-N 1 0 264.398 2.752 50 0 CFAARO C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1C[NH3+] ZINC000070176591 393638456 /nfs/dbraw/zinc/63/84/56/393638456.db2.gz AMYZELFISSJGKH-TVQRCGJNSA-N 1 0 284.762 2.679 50 0 CFAARO Cc1ccc(CCNC(=O)CC[NH+]2CCCCCCC2)o1 ZINC000218946275 393759358 /nfs/dbraw/zinc/75/93/58/393759358.db2.gz QYNQBPGAOSGSPX-UHFFFAOYSA-N 1 0 292.423 2.903 50 0 CFAARO CC(C)n1ccnc1CN(C)C[C@@H](C)C[NH+]1CCCC1 ZINC000219772267 393760410 /nfs/dbraw/zinc/76/04/10/393760410.db2.gz YSKMSRYTDYWEAS-OAHLLOKOSA-N 1 0 278.444 2.628 50 0 CFAARO Fc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080959208 393728974 /nfs/dbraw/zinc/72/89/74/393728974.db2.gz YFZXRQCAYFYJIV-CYBMUJFWSA-N 1 0 259.328 2.928 50 0 CFAARO CC(C)(O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000096441657 393833788 /nfs/dbraw/zinc/83/37/88/393833788.db2.gz QTTOBDWZSKPAEH-CYBMUJFWSA-N 1 0 265.422 2.872 50 0 CFAARO CCO[C@H](C)C[N@H+](C)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091350489 393783072 /nfs/dbraw/zinc/78/30/72/393783072.db2.gz WSFPALHCQNIBDS-CYBMUJFWSA-N 1 0 288.391 2.693 50 0 CFAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC[C@@H]1c1ccccc1 ZINC000237450734 393793698 /nfs/dbraw/zinc/79/36/98/393793698.db2.gz JKWXJHCLZAASLV-XBVQOTNRSA-N 1 0 286.419 2.766 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c(C)n1C1CC1 ZINC000237638791 393794369 /nfs/dbraw/zinc/79/43/69/393794369.db2.gz LUBZZSSKOSHASG-MEDUHNTESA-N 1 0 289.423 2.639 50 0 CFAARO CC[C@H](C)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000242292592 393798084 /nfs/dbraw/zinc/79/80/84/393798084.db2.gz YNODHIQYWCWQLK-STQMWFEESA-N 1 0 254.418 2.802 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000095414974 393811558 /nfs/dbraw/zinc/81/15/58/393811558.db2.gz OPDKDOHXJPELCO-NVXWUHKLSA-N 1 0 272.392 2.665 50 0 CFAARO CC(C)(C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000095984287 393814307 /nfs/dbraw/zinc/81/43/07/393814307.db2.gz OIUPOQKWMJDLBA-UKRRQHHQSA-N 1 0 274.408 2.598 50 0 CFAARO CC(C)n1ncc2ccc(NC(=O)C3([NH3+])CCCC3)cc21 ZINC000095971088 393814731 /nfs/dbraw/zinc/81/47/31/393814731.db2.gz UITXXWXWKBLBAF-UHFFFAOYSA-N 1 0 286.379 2.827 50 0 CFAARO COc1ccccc1/C=C\C[NH2+][C@@H](C)Cn1cc(C)cn1 ZINC000096265904 393817904 /nfs/dbraw/zinc/81/79/04/393817904.db2.gz SZQIADGPOCEHNR-LYASGUKUSA-N 1 0 285.391 2.892 50 0 CFAARO c1ccc(O[C@@H]2CC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000096424687 393829395 /nfs/dbraw/zinc/82/93/95/393829395.db2.gz VPROFXVMXMFZRW-MRXNPFEDSA-N 1 0 254.333 2.735 50 0 CFAARO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000096424704 393829414 /nfs/dbraw/zinc/82/94/14/393829414.db2.gz VRLDIEKJAWJMLI-CHWSQXEVSA-N 1 0 268.788 2.860 50 0 CFAARO Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1cccnc1)C(C)C ZINC000096424394 393829793 /nfs/dbraw/zinc/82/97/93/393829793.db2.gz JHTUUMRBVPPLRO-INIZCTEOSA-N 1 0 298.390 2.710 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000342437398 393865765 /nfs/dbraw/zinc/86/57/65/393865765.db2.gz JERFSUQAGFIMPV-CYBMUJFWSA-N 1 0 285.391 2.973 50 0 CFAARO COCCN(Cc1ccsc1)C[C@@H]1CCCC[N@@H+]1C ZINC000252496811 393936064 /nfs/dbraw/zinc/93/60/64/393936064.db2.gz PSEPTTPLRUTHIH-HNNXBMFYSA-N 1 0 282.453 2.681 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CSc2ccccc21 ZINC000252648986 393937701 /nfs/dbraw/zinc/93/77/01/393937701.db2.gz WMLUMAYVLRHNHA-UBHSHLNASA-N 1 0 290.432 2.604 50 0 CFAARO COC[C@@H]1CCC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000253393292 393941665 /nfs/dbraw/zinc/94/16/65/393941665.db2.gz YZNGYNJFPLSVNR-GDBMZVCRSA-N 1 0 263.381 2.733 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C(/C)c2cccc(Cl)c2)C1 ZINC000255223755 393943351 /nfs/dbraw/zinc/94/33/51/393943351.db2.gz RKBHNMJUDAMBNQ-FSBNRTBOSA-N 1 0 292.810 2.811 50 0 CFAARO c1cc(-c2noc(CN(Cc3cccnc3)C3CC3)n2)co1 ZINC000124704072 393998191 /nfs/dbraw/zinc/99/81/91/393998191.db2.gz GVMONANSISIRSW-UHFFFAOYSA-N 1 0 296.330 2.889 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)/C=C\c1cccc(F)c1 ZINC000493480505 394254590 /nfs/dbraw/zinc/25/45/90/394254590.db2.gz FXLPGWLORPJCKS-QKCOMIDHSA-N 1 0 276.355 2.567 50 0 CFAARO Cc1ccc(/C=C\C(=O)N(C)C2CC[NH2+]CC2)cc1Cl ZINC000493226819 394184497 /nfs/dbraw/zinc/18/44/97/394184497.db2.gz QJJSDZYMNLGETJ-WAYWQWQTSA-N 1 0 292.810 2.872 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 ZINC000158529855 394358507 /nfs/dbraw/zinc/35/85/07/394358507.db2.gz HWGKIKMLLYADQV-LJLILKBBSA-N 1 0 298.308 2.668 50 0 CFAARO CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N(C)C ZINC000170607729 394371578 /nfs/dbraw/zinc/37/15/78/394371578.db2.gz RJWPONFYQFTBAG-GFCCVEGCSA-N 1 0 266.410 2.536 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000070172601 292083459 /nfs/dbraw/zinc/08/34/59/292083459.db2.gz OQRFJHMTGVOCOM-KBPBESRZSA-N 1 0 260.381 2.503 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000007811387 397537189 /nfs/dbraw/zinc/53/71/89/397537189.db2.gz SNKAHQFFCQFZRX-BETUJISGSA-N 1 0 294.826 2.934 50 0 CFAARO CSc1ccccc1NC(=O)NCCC[NH+]1CC=CC1 ZINC000101533040 397593397 /nfs/dbraw/zinc/59/33/97/397593397.db2.gz QRQAAFQAJNYOME-UHFFFAOYSA-N 1 0 291.420 2.792 50 0 CFAARO c1n[nH]cc1[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000108858284 397598519 /nfs/dbraw/zinc/59/85/19/397598519.db2.gz COXXFAQVKOSKBU-LBPRGKRZSA-N 1 0 286.379 2.656 50 0 CFAARO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])C2)c1OC(C)C ZINC000215084792 397619127 /nfs/dbraw/zinc/61/91/27/397619127.db2.gz HKARRSQXTUBCKN-CYBMUJFWSA-N 1 0 298.814 2.669 50 0 CFAARO Clc1ccc2c(c1)C[N@@H+](C[C@@H]1CCOC1)CCO2 ZINC000216531284 397620273 /nfs/dbraw/zinc/62/02/73/397620273.db2.gz WDIPNZFCELMYOO-NSHDSACASA-N 1 0 267.756 2.571 50 0 CFAARO OC(c1ccccc1)(c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000003632772 304820330 /nfs/dbraw/zinc/82/03/30/304820330.db2.gz OGCGXUGBDJGFFY-INIZCTEOSA-N 1 0 253.345 2.675 50 0 CFAARO c1ccc(-c2nc3ccccc3nc2N2CC[NH2+]CC2)cc1 ZINC000004740931 296611779 /nfs/dbraw/zinc/61/17/79/296611779.db2.gz LGRQNICAVNEQAM-UHFFFAOYSA-N 1 0 290.370 2.706 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C ZINC000239782585 292354298 /nfs/dbraw/zinc/35/42/98/292354298.db2.gz CPLGFGVZGNQBRG-LGWLGOQQSA-N 1 0 284.403 2.785 50 0 CFAARO NC(=O)C1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000001699050 169744858 /nfs/dbraw/zinc/74/48/58/169744858.db2.gz LTUVVZKXVNALKM-UHFFFAOYSA-N 1 0 294.398 2.706 50 0 CFAARO Cn1cccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000002466097 169793376 /nfs/dbraw/zinc/79/33/76/169793376.db2.gz JMDFJNUSALBEDM-UHFFFAOYSA-N 1 0 253.349 2.839 50 0 in-vitro CFAARO CC[C@H](C)[NH2+]CCOCCOc1ccc(C)cc1 ZINC000002822394 169834556 /nfs/dbraw/zinc/83/45/56/169834556.db2.gz LTKSIEXKOGMXBM-AWEZNQCLSA-N 1 0 251.370 2.779 50 0 CFAARO COc1ccc(CC[C@@H]2[NH2+]CCn3cccc32)cc1 ZINC000003141337 169859986 /nfs/dbraw/zinc/85/99/86/169859986.db2.gz KVOHIVXSRDIIOT-HNNXBMFYSA-N 1 0 256.349 2.774 50 0 CFAARO COc1ccc(-c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000004776606 170015360 /nfs/dbraw/zinc/01/53/60/170015360.db2.gz VTVCMJCBSFONSC-UHFFFAOYSA-N 1 0 258.321 2.946 50 0 CFAARO C[NH+](C)CCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004839452 170027186 /nfs/dbraw/zinc/02/71/86/170027186.db2.gz JLHTYEQWOKFUFM-UHFFFAOYSA-N 1 0 275.179 2.675 50 0 CFAARO CC(=O)c1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000004842826 170028985 /nfs/dbraw/zinc/02/89/85/170028985.db2.gz PJQLVHHZYRUUSX-CYBMUJFWSA-N 1 0 261.365 3.000 50 0 CFAARO S=C(Nc1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000004973156 170047267 /nfs/dbraw/zinc/04/72/67/170047267.db2.gz MVYOIYBAGOCJGJ-CQSZACIVSA-N 1 0 275.421 2.554 50 0 CFAARO C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000005014217 170055832 /nfs/dbraw/zinc/05/58/32/170055832.db2.gz JDSHDPXJSYUYKA-KGLIPLIRSA-N 1 0 260.381 2.738 50 0 CFAARO Cc1cc(Cl)cc(Cl)c1OCCC[NH2+]CCO ZINC000005024175 170057122 /nfs/dbraw/zinc/05/71/22/170057122.db2.gz INXWAAUPPKRZEX-UHFFFAOYSA-N 1 0 278.179 2.653 50 0 CFAARO COc1ccc2[nH]cc(CC[NH2+]Cc3cccnc3)c2c1 ZINC000005274526 170081941 /nfs/dbraw/zinc/08/19/41/170081941.db2.gz SITJZFKKZGHMHD-UHFFFAOYSA-N 1 0 281.359 2.904 50 0 CFAARO CC[NH+](CC)CCn1cnc2c([nH]c3cccc(C)c32)c1=O ZINC000005478052 170103141 /nfs/dbraw/zinc/10/31/41/170103141.db2.gz YEJDPPLOIDWKIO-UHFFFAOYSA-N 1 0 298.390 2.528 50 0 CFAARO CC(C)(C)NC(=O)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000005817172 170142687 /nfs/dbraw/zinc/14/26/87/170142687.db2.gz CJWICQVYGQKZMB-UHFFFAOYSA-N 1 0 292.423 2.868 50 0 CFAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000005925756 170156419 /nfs/dbraw/zinc/15/64/19/170156419.db2.gz ZKGULYSCOAAHEI-LBPRGKRZSA-N 1 0 271.788 2.776 50 0 CFAARO CC[NH+](CC)CCCNc1ncnc2sccc21 ZINC000005937201 170158193 /nfs/dbraw/zinc/15/81/93/170158193.db2.gz KDFICYKMHHKRGC-UHFFFAOYSA-N 1 0 264.398 2.835 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000006008017 170167818 /nfs/dbraw/zinc/16/78/18/170167818.db2.gz MMGBWQXPHCBIBW-YOEHRIQHSA-N 1 0 289.419 2.647 50 0 CFAARO Clc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000006188204 170181556 /nfs/dbraw/zinc/18/15/56/170181556.db2.gz XRJOEVXXQAEBBS-CQSZACIVSA-N 1 0 291.782 2.999 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000006576721 170214644 /nfs/dbraw/zinc/21/46/44/170214644.db2.gz OBVOCZTXJINSPD-TZMCWYRMSA-N 1 0 283.799 2.812 50 0 CFAARO C[C@@H]1CCC[N@H+](CCCOc2cccc(C=O)c2)C1 ZINC000006701182 170229305 /nfs/dbraw/zinc/22/93/05/170229305.db2.gz KUVCDVPQSDZEOX-CQSZACIVSA-N 1 0 261.365 3.000 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000006861988 170250562 /nfs/dbraw/zinc/25/05/62/170250562.db2.gz KADYKPZFCWZMDB-UHFFFAOYSA-N 1 0 266.772 2.556 50 0 CFAARO OCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000006888881 170253253 /nfs/dbraw/zinc/25/32/53/170253253.db2.gz LVCAHTSTCAHNNS-UHFFFAOYSA-N 1 0 289.350 2.877 50 0 CFAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1F ZINC000006992983 170260804 /nfs/dbraw/zinc/26/08/04/170260804.db2.gz YTFHKNRDUFSQKN-UHFFFAOYSA-N 1 0 286.350 2.817 50 0 CFAARO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCCCCC1 ZINC000007378115 170281435 /nfs/dbraw/zinc/28/14/35/170281435.db2.gz SBCHUFWUZDWNHQ-GFCCVEGCSA-N 1 0 290.363 2.618 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+]C2CCCCC2)cc1 ZINC000007636284 170294359 /nfs/dbraw/zinc/29/43/59/170294359.db2.gz HABVQMHKIRWYCN-OAHLLOKOSA-N 1 0 263.381 2.657 50 0 CFAARO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC000008119206 170319688 /nfs/dbraw/zinc/31/96/88/170319688.db2.gz RALWARFFRPIQML-CYBMUJFWSA-N 1 0 278.371 2.706 50 0 CFAARO CCOc1cc(C[NH2+]CCOC)cc(Cl)c1OCC ZINC000008253889 170327567 /nfs/dbraw/zinc/32/75/67/170327567.db2.gz MKGMVENDYJRYFW-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000008325990 170331344 /nfs/dbraw/zinc/33/13/44/170331344.db2.gz FZNBOSABXAFSRR-SNVBAGLBSA-N 1 0 253.342 2.601 50 0 CFAARO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OC ZINC000008327019 170331423 /nfs/dbraw/zinc/33/14/23/170331423.db2.gz XXLYJCGNCWRMOB-LLVKDONJSA-N 1 0 287.787 2.608 50 0 CFAARO CC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000008326740 170331496 /nfs/dbraw/zinc/33/14/96/170331496.db2.gz FZNBOSABXAFSRR-JTQLQIEISA-N 1 0 253.342 2.601 50 0 CFAARO CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000008325917 170331588 /nfs/dbraw/zinc/33/15/88/170331588.db2.gz CKAOVMGJKHOVOQ-SNVBAGLBSA-N 1 0 253.342 2.601 50 0 CFAARO O=c1cc(C[NH2+]C2CCCCC2)c2ccccc2[nH]1 ZINC000008580073 170341640 /nfs/dbraw/zinc/34/16/40/170341640.db2.gz YOLQBYKKRJNSRB-UHFFFAOYSA-N 1 0 256.349 2.950 50 0 CFAARO Cc1ccc(C)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000009477586 170377811 /nfs/dbraw/zinc/37/78/11/170377811.db2.gz DZBWTAFXNALEIZ-OAHLLOKOSA-N 1 0 291.358 2.749 50 0 CFAARO Cc1ccc(C)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1 ZINC000009477588 170377919 /nfs/dbraw/zinc/37/79/19/170377919.db2.gz DZBWTAFXNALEIZ-HNNXBMFYSA-N 1 0 291.358 2.749 50 0 CFAARO COc1cccc(C[NH2+]Cc2ccc3nccnc3c2)c1 ZINC000009740605 170385310 /nfs/dbraw/zinc/38/53/10/170385310.db2.gz FXCIHKYTPUDHGM-UHFFFAOYSA-N 1 0 279.343 2.928 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1F)c1ccccc1 ZINC000010017734 170395566 /nfs/dbraw/zinc/39/55/66/170395566.db2.gz XIRWUQMOKAPMEE-INIZCTEOSA-N 1 0 286.350 2.858 50 0 CFAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)NCc1ccco1 ZINC000010087395 170397356 /nfs/dbraw/zinc/39/73/56/170397356.db2.gz KOOLQXKNNSSDMO-INIZCTEOSA-N 1 0 284.359 2.733 50 0 CFAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000010276763 170402474 /nfs/dbraw/zinc/40/24/74/170402474.db2.gz IHOIUYAMEXKPTL-UHFFFAOYSA-N 1 0 280.799 2.946 50 0 CFAARO COc1cc(N)ccc1OCCC[NH+]1CCCCC1 ZINC000012419324 170487079 /nfs/dbraw/zinc/48/70/79/170487079.db2.gz XFKHKMYLKLDSFS-UHFFFAOYSA-N 1 0 264.369 2.532 50 0 CFAARO O=C(C1=CCCC1)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012597307 170499931 /nfs/dbraw/zinc/49/99/31/170499931.db2.gz UMJISUVBADSPCL-GOSISDBHSA-N 1 0 288.435 2.821 50 0 CFAARO C[NH2+]Cc1ccc(OCc2ccc3c(c2)OCCO3)cc1 ZINC000015356895 170664131 /nfs/dbraw/zinc/66/41/31/170664131.db2.gz QDFUXGSTSOTUSE-UHFFFAOYSA-N 1 0 285.343 2.756 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000019499936 170814909 /nfs/dbraw/zinc/81/49/09/170814909.db2.gz FPTVJLWNSJEHSF-CQSZACIVSA-N 1 0 262.397 2.611 50 0 CFAARO Cc1ccsc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020137734 171025133 /nfs/dbraw/zinc/02/51/33/171025133.db2.gz UQMDTURIVKQMEX-LBPRGKRZSA-N 1 0 275.373 2.986 50 0 CFAARO COc1ccc(OC)c(CNC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000020201653 171066437 /nfs/dbraw/zinc/06/64/37/171066437.db2.gz NVGWHDVYONIDSL-HNNXBMFYSA-N 1 0 294.439 2.770 50 0 CFAARO CN(Cc1ncc[nH]1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020450748 171207748 /nfs/dbraw/zinc/20/77/48/171207748.db2.gz FCWDODNSRRTYAU-QGZVFWFLSA-N 1 0 298.434 2.549 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+][C@H]1CN2CCC1CC2 ZINC000020477267 171221149 /nfs/dbraw/zinc/22/11/49/171221149.db2.gz UXMSPKCUDAERMG-AWEZNQCLSA-N 1 0 280.799 2.532 50 0 CFAARO c1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000020538158 171241278 /nfs/dbraw/zinc/24/12/78/171241278.db2.gz APHLBOJQIJKAFK-AWEZNQCLSA-N 1 0 250.411 2.808 50 0 CFAARO C[N@H+](CCc1ccc(Cl)cc1)C1CCOCC1 ZINC000020607623 171267545 /nfs/dbraw/zinc/26/75/45/171267545.db2.gz ZCRMYZUTGMFIKA-UHFFFAOYSA-N 1 0 253.773 2.993 50 0 CFAARO C[NH+]1CCC(Cc2nc(Cc3ccccc3)no2)CC1 ZINC000020637486 171268371 /nfs/dbraw/zinc/26/83/71/171268371.db2.gz MUXLKZVUUGCCGD-UHFFFAOYSA-N 1 0 271.364 2.545 50 0 CFAARO CC[C@@H](C)Oc1ccc(OCCN2CCOCC2)cc1 ZINC000020653174 171268875 /nfs/dbraw/zinc/26/88/75/171268875.db2.gz FWQXIDQMKRGOIR-CQSZACIVSA-N 1 0 279.380 2.575 50 0 CFAARO CCCOc1cccc(OCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020639515 171268972 /nfs/dbraw/zinc/26/89/72/171268972.db2.gz FXFXRIWWKCDPEW-GJZGRUSLSA-N 1 0 293.407 2.963 50 0 CFAARO CC(C)C[N@@H+]1CCN(CCCC2CCCC2)C[C@@H]1CCO ZINC000020776102 171272159 /nfs/dbraw/zinc/27/21/59/171272159.db2.gz XVCOYKJKAIAETF-SFHVURJKSA-N 1 0 296.499 2.981 50 0 CFAARO CO[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000020867927 171276757 /nfs/dbraw/zinc/27/67/57/171276757.db2.gz DFNLEDKRPDALNQ-CQSZACIVSA-N 1 0 269.772 2.830 50 0 CFAARO CCCOc1cccc(C[NH2+]CCCCCO)c1 ZINC000020925137 171279700 /nfs/dbraw/zinc/27/97/00/171279700.db2.gz ZQTPSYUEWDEPDU-UHFFFAOYSA-N 1 0 251.370 2.728 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+]CCOC ZINC000020928942 171280338 /nfs/dbraw/zinc/28/03/38/171280338.db2.gz FGKPVSCFDHKZRE-UHFFFAOYSA-N 1 0 257.761 2.865 50 0 CFAARO O=C(CCn1cccn1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000020989190 171283454 /nfs/dbraw/zinc/28/34/54/171283454.db2.gz RVKIBKRWDABKRU-UHFFFAOYSA-N 1 0 298.390 2.508 50 0 CFAARO COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000021578312 171317017 /nfs/dbraw/zinc/31/70/17/171317017.db2.gz LWQQFJYEZAFZPR-CQSZACIVSA-N 1 0 290.407 2.576 50 0 CFAARO Clc1ccc(OCCN2CC[NH2+]CC2)c2ccccc12 ZINC000021953582 171340648 /nfs/dbraw/zinc/34/06/48/171340648.db2.gz FMKXSXZVDCUOFV-UHFFFAOYSA-N 1 0 290.794 2.777 50 0 CFAARO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000021962392 171343190 /nfs/dbraw/zinc/34/31/90/171343190.db2.gz HJTYVCUEBHPCTL-BBRMVZONSA-N 1 0 272.392 2.555 50 0 CFAARO C[C@H](NC(=O)CC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000022198968 171372170 /nfs/dbraw/zinc/37/21/70/171372170.db2.gz PDAYHIHZZQGBMR-AWEZNQCLSA-N 1 0 286.375 2.979 50 0 CFAARO C[NH+]1CCC(NCc2ccccc2Br)CC1 ZINC000023280862 171418844 /nfs/dbraw/zinc/41/88/44/171418844.db2.gz SNWMCLVRNCHXCX-UHFFFAOYSA-N 1 0 283.213 2.633 50 0 CFAARO O=C(NC1CC=CC1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023619752 171424365 /nfs/dbraw/zinc/42/43/65/171424365.db2.gz CKESQJOZDIRYSD-LLVKDONJSA-N 1 0 262.378 2.621 50 0 CFAARO COc1ccc(C)cc1CC[NH2+]Cc1ccncc1 ZINC000025639014 171463107 /nfs/dbraw/zinc/46/31/07/171463107.db2.gz HMAWRCXNUUIYMK-UHFFFAOYSA-N 1 0 256.349 2.731 50 0 CFAARO CC(C)[C@@H](CNC(=O)Nc1ccc(F)cc1F)[NH+](C)C ZINC000032903038 171759479 /nfs/dbraw/zinc/75/94/79/171759479.db2.gz ZMTFKGWKUMOUHD-CYBMUJFWSA-N 1 0 285.338 2.673 50 0 CFAARO COc1cccc2cc(C[NH2+][C@H](C)Cn3cccn3)oc21 ZINC000035272285 172092535 /nfs/dbraw/zinc/09/25/35/172092535.db2.gz NVPKDRAUAJIHOI-GFCCVEGCSA-N 1 0 285.347 2.816 50 0 CFAARO Clc1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000035287294 172104890 /nfs/dbraw/zinc/10/48/90/172104890.db2.gz OKCNKJBEQQZFMG-UHFFFAOYSA-N 1 0 262.740 2.904 50 0 CFAARO Cc1cccc([C@@H]2SCC(=O)N2CC[NH2+]C(C)C)c1 ZINC000035536519 172243627 /nfs/dbraw/zinc/24/36/27/172243627.db2.gz WZRWNMWTTLOJCG-HNNXBMFYSA-N 1 0 278.421 2.567 50 0 CFAARO CC[NH2+]C1(c2nnnn2-c2cccc(C)c2)CCCCC1 ZINC000035622495 172304110 /nfs/dbraw/zinc/30/41/10/172304110.db2.gz WUQRTNFIUUBMTC-UHFFFAOYSA-N 1 0 285.395 2.740 50 0 CFAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccc(F)cc1 ZINC000035655281 172331207 /nfs/dbraw/zinc/33/12/07/172331207.db2.gz GSOHPYLDGTVVNY-LLVKDONJSA-N 1 0 253.317 2.713 50 0 CFAARO [NH3+][C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 ZINC000035679644 172350464 /nfs/dbraw/zinc/35/04/64/172350464.db2.gz OIRCOVVOPYGRHM-LBPRGKRZSA-N 1 0 268.316 2.543 50 0 CFAARO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1cccs1 ZINC000035736797 172389962 /nfs/dbraw/zinc/38/99/62/172389962.db2.gz SFEHPRJRTRTMBM-RISCZKNCSA-N 1 0 286.400 2.640 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000657691478 413859296 /nfs/dbraw/zinc/85/92/96/413859296.db2.gz SHAQRQWUDKEQPP-UONOGXRCSA-N 1 0 290.436 2.686 50 0 CFAARO Cc1ncccc1C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000657795766 413949630 /nfs/dbraw/zinc/94/96/30/413949630.db2.gz OEVROAYZYSCCJK-GUYCJALGSA-N 1 0 270.376 2.644 50 0 CFAARO O[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037490169 173231876 /nfs/dbraw/zinc/23/18/76/173231876.db2.gz NGDVPKNJPMVSHP-NEPJUHHUSA-N 1 0 259.271 2.708 50 0 CFAARO Cc1ccnc(NC(=O)c2ccc(C[NH3+])cc2)c1C1CC1 ZINC000662638513 414583186 /nfs/dbraw/zinc/58/31/86/414583186.db2.gz RXOUAIOICTVHBF-UHFFFAOYSA-N 1 0 281.359 2.978 50 0 CFAARO CC1(C)C[C@@H](C[N@@H+]2CC[C@](O)(c3ccccc3)C2)CCO1 ZINC000039490373 174168416 /nfs/dbraw/zinc/16/84/16/174168416.db2.gz YXUVAYFFOOZIPC-MAUKXSAKSA-N 1 0 289.419 2.785 50 0 CFAARO CC(C)[NH+](CCNC(=O)Cc1ccccc1F)C(C)C ZINC000039975630 174180489 /nfs/dbraw/zinc/18/04/89/174180489.db2.gz VDLNERIMXHQHSZ-UHFFFAOYSA-N 1 0 280.387 2.603 50 0 CFAARO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000040050475 174185205 /nfs/dbraw/zinc/18/52/05/174185205.db2.gz HZINDFKNDSIVSL-ZDUSSCGKSA-N 1 0 260.381 2.972 50 0 CFAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc(F)c1 ZINC000040095881 174190068 /nfs/dbraw/zinc/19/00/68/174190068.db2.gz MAUKBPLTPSWTIY-LLVKDONJSA-N 1 0 267.348 2.678 50 0 CFAARO Cc1ccc(F)c(NC(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000040099187 174190504 /nfs/dbraw/zinc/19/05/04/174190504.db2.gz ZXLXTQURFGXLAC-UHFFFAOYSA-N 1 0 293.386 2.988 50 0 CFAARO CC(C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000040103351 174190852 /nfs/dbraw/zinc/19/08/52/174190852.db2.gz AAXBBJNZWYIXFR-UHFFFAOYSA-N 1 0 287.407 2.733 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000040413392 174254935 /nfs/dbraw/zinc/25/49/35/174254935.db2.gz SWXHFTSROWXVLB-OAHLLOKOSA-N 1 0 282.387 2.605 50 0 CFAARO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)c(C)o1 ZINC000040510060 174304199 /nfs/dbraw/zinc/30/41/99/174304199.db2.gz IIXFIOGSBAIISW-UHFFFAOYSA-N 1 0 264.369 2.502 50 0 CFAARO CN(C)c1cccc(Oc2ccc(C(N)=[NH2+])cc2)c1 ZINC000040714618 174382366 /nfs/dbraw/zinc/38/23/66/174382366.db2.gz GXPRGQYEUQOQTI-UHFFFAOYSA-N 1 0 255.321 2.829 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+]CCCCO ZINC000040721057 174385618 /nfs/dbraw/zinc/38/56/18/174385618.db2.gz UINMUVZNXUTVHA-UHFFFAOYSA-N 1 0 257.761 2.601 50 0 CFAARO CCOc1cc(C[NH2+]CCCOC)ccc1OC(C)C ZINC000040728794 174388275 /nfs/dbraw/zinc/38/82/75/174388275.db2.gz HNGRAFVYQOTPRQ-UHFFFAOYSA-N 1 0 281.396 2.999 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C[C@@H](C)O ZINC000040743937 174391567 /nfs/dbraw/zinc/39/15/67/174391567.db2.gz IXJFXIAROUZVSA-SNVBAGLBSA-N 1 0 257.761 2.598 50 0 CFAARO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OC(C)C ZINC000040743928 174391741 /nfs/dbraw/zinc/39/17/41/174391741.db2.gz OYXYMENWYNSOTO-JTQLQIEISA-N 1 0 287.787 2.606 50 0 CFAARO O=C(Cc1cccs1)NCCC[NH+]1CCCCCC1 ZINC000041799875 174623062 /nfs/dbraw/zinc/62/30/62/174623062.db2.gz SAUCFPACOMLBBX-UHFFFAOYSA-N 1 0 280.437 2.673 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)no1 ZINC000044590993 175212717 /nfs/dbraw/zinc/21/27/17/175212717.db2.gz OUMPSPIBDLDRRK-HOTGVXAUSA-N 1 0 272.348 2.854 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000044866722 175267766 /nfs/dbraw/zinc/26/77/66/175267766.db2.gz LHIIWSZSBBRDDG-STQMWFEESA-N 1 0 269.410 2.500 50 0 CFAARO CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000045943471 175387202 /nfs/dbraw/zinc/38/72/02/175387202.db2.gz ACDGHJOQBDWPGP-GFCCVEGCSA-N 1 0 272.352 2.754 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000046049554 175390687 /nfs/dbraw/zinc/39/06/87/175390687.db2.gz GKDOGRIVZRRYLV-UHFFFAOYSA-N 1 0 296.361 2.815 50 0 CFAARO CC(C)([NH2+]C1CCCCC1)c1nnnn1-c1ccccc1 ZINC000046078083 175391716 /nfs/dbraw/zinc/39/17/16/175391716.db2.gz GLJGHZOWAYHIME-UHFFFAOYSA-N 1 0 285.395 2.820 50 0 CFAARO COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051999828 175530223 /nfs/dbraw/zinc/53/02/23/175530223.db2.gz FXSGUWYUWGYXDI-CFVMTHIKSA-N 1 0 263.381 2.519 50 0 CFAARO CC[NH+](CC)CCn1cc(NC(=O)C2(C)CCCC2)cn1 ZINC000067019736 175768621 /nfs/dbraw/zinc/76/86/21/175768621.db2.gz VKXOMSQBOBHSCO-UHFFFAOYSA-N 1 0 292.427 2.744 50 0 CFAARO [NH3+]C[C@@H]1Cc2cccc(-c3ncccc3Cl)c2O1 ZINC000067688477 175784066 /nfs/dbraw/zinc/78/40/66/175784066.db2.gz PXDQAIUVXXXFPY-JTQLQIEISA-N 1 0 260.724 2.664 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000071143307 176040592 /nfs/dbraw/zinc/04/05/92/176040592.db2.gz HJYXLBPCGSJLLW-SECBINFHSA-N 1 0 287.190 2.675 50 0 CFAARO [NH3+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000071577275 176205560 /nfs/dbraw/zinc/20/55/60/176205560.db2.gz ZBLVBDSSUPKSMR-UHFFFAOYSA-N 1 0 256.136 2.697 50 0 CFAARO C[NH+](C)CC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071745537 176258052 /nfs/dbraw/zinc/25/80/52/176258052.db2.gz ANFWZRLTFJLDIU-OAHLLOKOSA-N 1 0 292.398 2.559 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000071819589 176270964 /nfs/dbraw/zinc/27/09/64/176270964.db2.gz YRYCAHNNFRNWQA-UHFFFAOYSA-N 1 0 299.296 2.949 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000071831351 176272858 /nfs/dbraw/zinc/27/28/58/176272858.db2.gz KDWFYXXOTWAVAL-GFCCVEGCSA-N 1 0 298.390 2.696 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000071831350 176272933 /nfs/dbraw/zinc/27/29/33/176272933.db2.gz KDWFYXXOTWAVAL-LBPRGKRZSA-N 1 0 298.390 2.696 50 0 CFAARO Cc1n[nH]cc1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000071841235 176275036 /nfs/dbraw/zinc/27/50/36/176275036.db2.gz PQYQNONSABDTGF-UHFFFAOYSA-N 1 0 290.455 2.852 50 0 CFAARO CC(C)CC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000071871649 176283774 /nfs/dbraw/zinc/28/37/74/176283774.db2.gz LSNQFLOKHIUCOK-UHFFFAOYSA-N 1 0 292.427 2.501 50 0 CFAARO Cc1cnn(CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000071876470 176285561 /nfs/dbraw/zinc/28/55/61/176285561.db2.gz DKYUDZXNHJHSRH-SFHVURJKSA-N 1 0 299.418 2.637 50 0 CFAARO C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000071884509 176289064 /nfs/dbraw/zinc/28/90/64/176289064.db2.gz LDEYSSGOEBVYHY-DOMZBBRYSA-N 1 0 276.380 2.612 50 0 CFAARO CC[N@@H+](Cc1nc(C)c2ccccc2n1)C[C@@H]1CCOC1 ZINC000071908293 176296912 /nfs/dbraw/zinc/29/69/12/176296912.db2.gz IRPDRYKQXAAAFW-AWEZNQCLSA-N 1 0 285.391 2.797 50 0 CFAARO C[NH+](C)CC[C@H](OC(=O)C[C@H]1CCCO1)c1ccccc1 ZINC000071922299 176301015 /nfs/dbraw/zinc/30/10/15/176301015.db2.gz QEKAGSQUOVXAEN-CVEARBPZSA-N 1 0 291.391 2.792 50 0 CFAARO CC(C)c1nnsc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000072125413 176320501 /nfs/dbraw/zinc/32/05/01/176320501.db2.gz FFKQUCWAPYGLGL-GFCCVEGCSA-N 1 0 282.457 2.578 50 0 CFAARO CCc1nn(C)c(Cl)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000072133255 176321783 /nfs/dbraw/zinc/32/17/83/176321783.db2.gz IMWIPTVANGXHTO-GFCCVEGCSA-N 1 0 298.862 2.552 50 0 CFAARO c1c[nH]c(CN2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000072145741 176325180 /nfs/dbraw/zinc/32/51/80/176325180.db2.gz TWJZYUKJZDCZSV-UHFFFAOYSA-N 1 0 298.434 2.550 50 0 CFAARO C[N@H+](Cc1cccnc1N)Cc1cccc2ncccc12 ZINC000072151143 176327536 /nfs/dbraw/zinc/32/75/36/176327536.db2.gz DSETWXHMSFYROL-UHFFFAOYSA-N 1 0 278.359 2.844 50 0 CFAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2[nH]cnc2C)CC1 ZINC000072162322 176329884 /nfs/dbraw/zinc/32/98/84/176329884.db2.gz OAMLKQJQDJGDTK-UHFFFAOYSA-N 1 0 297.402 2.841 50 0 CFAARO Cc1cc(Nc2ncccc2C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000072343502 176372281 /nfs/dbraw/zinc/37/22/81/176372281.db2.gz IMFCPNNSHDXRQE-CYBMUJFWSA-N 1 0 283.379 2.699 50 0 CFAARO Cn1cc(CC[N@H+](C)CCCc2ccccc2)cn1 ZINC000077265637 177246660 /nfs/dbraw/zinc/24/66/60/177246660.db2.gz TWKWURKIIXLWIU-UHFFFAOYSA-N 1 0 257.381 2.527 50 0 CFAARO c1ccc(CCC[N@@H+]2CCCN(c3cnccn3)CC2)cc1 ZINC000077318857 177252142 /nfs/dbraw/zinc/25/21/42/177252142.db2.gz ZBXCVJOFDDKHGG-UHFFFAOYSA-N 1 0 296.418 2.622 50 0 CFAARO c1cncc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000077358193 177256857 /nfs/dbraw/zinc/25/68/57/177256857.db2.gz INTQYLJARLLPAX-HNNXBMFYSA-N 1 0 257.381 2.560 50 0 CFAARO CN(Cc1cccc(-n2cccn2)c1)c1cc[nH+]cc1 ZINC000077390276 177262396 /nfs/dbraw/zinc/26/23/96/177262396.db2.gz LHZLJUWPPYQRPW-UHFFFAOYSA-N 1 0 264.332 2.904 50 0 CFAARO CC[N@H+](CCNCc1c(C)nc2sccn12)C(C)C ZINC000077404029 177263518 /nfs/dbraw/zinc/26/35/18/177263518.db2.gz ZWSHMPNPZMZOBA-UHFFFAOYSA-N 1 0 280.441 2.524 50 0 CFAARO Cc1nc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)co1 ZINC000077407559 177263983 /nfs/dbraw/zinc/26/39/83/177263983.db2.gz HUTIPFVHSSNVPB-OAHLLOKOSA-N 1 0 274.368 2.624 50 0 CFAARO CN(C)c1cccc(C[NH2+]Cc2cccc3c2OCCO3)c1 ZINC000078552627 177353519 /nfs/dbraw/zinc/35/35/19/177353519.db2.gz OBHYSICZIILQPW-UHFFFAOYSA-N 1 0 298.386 2.814 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052654 260006385 /nfs/dbraw/zinc/00/63/85/260006385.db2.gz RIIVBOZFETVGJI-CYBMUJFWSA-N 1 0 290.436 2.712 50 0 CFAARO CCOC(=O)[C@H]1CC2(CCCCC2)[N@@H+]2CCC[C@H]12 ZINC000004343237 260014827 /nfs/dbraw/zinc/01/48/27/260014827.db2.gz DUXGYQFYWPNKJS-QWHCGFSZSA-N 1 0 251.370 2.737 50 0 CFAARO CNC(=O)[C@H](C)[N@H+](C)Cc1cccc(-c2ccco2)c1 ZINC000065427046 260242806 /nfs/dbraw/zinc/24/28/06/260242806.db2.gz XALJILWYUQJRCG-LBPRGKRZSA-N 1 0 272.348 2.513 50 0 CFAARO c1csc(C2([NH2+]C[C@H]3CCOC3)CCCC2)n1 ZINC000083214737 260346385 /nfs/dbraw/zinc/34/63/85/260346385.db2.gz WVTNTOLPAJFZBP-LLVKDONJSA-N 1 0 252.383 2.539 50 0 CFAARO CC[NH+]1CCN(c2ncnc3c4ccc(C)cc4[nH]c32)CC1 ZINC000005184777 273667760 /nfs/dbraw/zinc/66/77/60/273667760.db2.gz QNXQRPVQEDKQIJ-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCO2)cc1 ZINC000012383433 274107954 /nfs/dbraw/zinc/10/79/54/274107954.db2.gz NRQSMLWHXBQLBA-CZUORRHYSA-N 1 0 263.381 2.785 50 0 CFAARO COc1nc2ccccc2cc1-c1c[nH+]ccc1N ZINC000065388150 274168527 /nfs/dbraw/zinc/16/85/27/274168527.db2.gz RIVLCOBCZGAHMI-UHFFFAOYSA-N 1 0 251.289 2.888 50 0 CFAARO C[C@@H](O)C[NH2+]CCOc1ccc(Cl)cc1C(C)(C)C ZINC000002881560 274273210 /nfs/dbraw/zinc/27/32/10/274273210.db2.gz IAMNAJVHDISXTM-LLVKDONJSA-N 1 0 285.815 2.987 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2cccc(F)c2Cl)[C@H]1C[NH3+] ZINC000165352610 274289758 /nfs/dbraw/zinc/28/97/58/274289758.db2.gz GJSXWXCGPZVBPZ-SKDRFNHKSA-N 1 0 284.762 2.679 50 0 CFAARO [NH3+]C1(c2nc(-c3ccccc3)cc(=O)[nH]2)CCCCC1 ZINC000071398249 274942989 /nfs/dbraw/zinc/94/29/89/274942989.db2.gz NTOMCQCCYCVRAF-UHFFFAOYSA-N 1 0 269.348 2.555 50 0 CFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000054918287 274955128 /nfs/dbraw/zinc/95/51/28/274955128.db2.gz IEWOUUVCBPDTNK-INIZCTEOSA-N 1 0 280.371 2.536 50 0 CFAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000025217259 275057756 /nfs/dbraw/zinc/05/77/56/275057756.db2.gz YKWPCIDHTLDGKV-QGZVFWFLSA-N 1 0 271.335 2.917 50 0 CFAARO C1CC1c1nsc(N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000089819112 275414417 /nfs/dbraw/zinc/41/44/17/275414417.db2.gz DENPGLDANXBDSP-ZDUSSCGKSA-N 1 0 292.452 2.870 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)[NH2+]CC[C@@H]12 ZINC000095707561 275520657 /nfs/dbraw/zinc/52/06/57/275520657.db2.gz XNMFFEJCPXOIHP-PBHICJAKSA-N 1 0 288.391 2.885 50 0 CFAARO CC(C)c1cccc(N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000067884717 275752361 /nfs/dbraw/zinc/75/23/61/275752361.db2.gz NONOKAKBGJLSRG-UHFFFAOYSA-N 1 0 289.423 2.506 50 0 CFAARO CCC[C@@H]1COCC[N@@H+]1CCC(=O)NC1CCCCCC1 ZINC000065372820 276033097 /nfs/dbraw/zinc/03/30/97/276033097.db2.gz SOJYTCBQLLTLDW-MRXNPFEDSA-N 1 0 296.455 2.716 50 0 CFAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC(F)(F)CC1 ZINC000091746060 276243936 /nfs/dbraw/zinc/24/39/36/276243936.db2.gz WKSVXWJGGVDMKN-UHFFFAOYSA-N 1 0 284.354 2.945 50 0 CFAARO CC(=O)Nc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1 ZINC000092540686 277074819 /nfs/dbraw/zinc/07/48/19/277074819.db2.gz KWPBYZTUQVPKLB-RYUDHWBXSA-N 1 0 278.421 2.971 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000020286173 277185033 /nfs/dbraw/zinc/18/50/33/277185033.db2.gz MRJDBVXBFHWXQC-VXGBXAGGSA-N 1 0 254.374 2.528 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000237204988 277275363 /nfs/dbraw/zinc/27/53/63/277275363.db2.gz GLECQIGASQUIRW-NSHDSACASA-N 1 0 295.452 2.512 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000043044200 277385057 /nfs/dbraw/zinc/38/50/57/277385057.db2.gz CQWVBIASWONDMV-GOEBONIOSA-N 1 0 295.471 2.985 50 0 CFAARO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130020971 277526264 /nfs/dbraw/zinc/52/62/64/277526264.db2.gz ABPSUAUUAHMPAA-UKKRHICBSA-N 1 0 285.375 2.810 50 0 CFAARO C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000237374670 278538710 /nfs/dbraw/zinc/53/87/10/278538710.db2.gz SEYNXLNEMBNXNQ-FRRDWIJNSA-N 1 0 258.365 2.654 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CC2([NH3+])CCC2)C1 ZINC000237543600 278959897 /nfs/dbraw/zinc/95/98/97/278959897.db2.gz NPNSGIRSSHBXDU-LSDHHAIUSA-N 1 0 286.419 2.971 50 0 CFAARO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCc2c1cccc2O ZINC000097049279 279275963 /nfs/dbraw/zinc/27/59/63/279275963.db2.gz PMONEYBJLCDRKL-IUODEOHRSA-N 1 0 271.364 2.644 50 0 CFAARO O=C(C[NH+]1CCCCCC1)NC12CC3CC(CC(C3)C1)C2 ZINC000007781921 279765888 /nfs/dbraw/zinc/76/58/88/279765888.db2.gz VCRHFIHCVJXFPB-UHFFFAOYSA-N 1 0 290.451 2.947 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000095414975 280578663 /nfs/dbraw/zinc/57/86/63/280578663.db2.gz OPDKDOHXJPELCO-RDJZCZTQSA-N 1 0 272.392 2.665 50 0 CFAARO CC1(C)CC(NC(=S)NC2CCCC2)CC(C)(C)[NH2+]1 ZINC000002835668 280912966 /nfs/dbraw/zinc/91/29/66/280912966.db2.gz SKDZBFUBEUSUNI-UHFFFAOYSA-N 1 0 283.485 2.702 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(C(F)(F)F)cc1 ZINC000254990197 281082810 /nfs/dbraw/zinc/08/28/10/281082810.db2.gz DTXBSQKQCRAXPY-DMTLFAOVSA-N 1 0 298.308 2.668 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)CCn1cccn1)CO2 ZINC000097049783 281096975 /nfs/dbraw/zinc/09/69/75/281096975.db2.gz XDGYZBGJADNJDY-HIFRSBDPSA-N 1 0 271.364 2.693 50 0 CFAARO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000527667657 281339028 /nfs/dbraw/zinc/33/90/28/281339028.db2.gz YGMJCPKPGBCXNN-WDEREUQCSA-N 1 0 276.371 2.692 50 0 CFAARO CC12CN3CC(C)(C[NH+](C1)C3[C@@H]1CCOC(C)(C)C1)C2 ZINC000019330134 281612929 /nfs/dbraw/zinc/61/29/29/281612929.db2.gz GUBXAMNRVSAZNC-WSVPJTFXSA-N 1 0 278.440 2.565 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000299742287 292665255 /nfs/dbraw/zinc/66/52/55/292665255.db2.gz AYXQTVPRYRVEGB-IWCQGFGOSA-N 1 0 286.419 2.827 50 0 CFAARO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130011285 295113453 /nfs/dbraw/zinc/11/34/53/295113453.db2.gz PAZDUNOFRLQDLK-NOOOWODRSA-N 1 0 292.345 2.741 50 0 CFAARO [NH2+]=C1N[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1 ZINC000000154895 295210221 /nfs/dbraw/zinc/21/02/21/295210221.db2.gz JDIPIUIHXUDIOV-ZIAGYGMSSA-N 1 0 299.761 2.551 50 0 CFAARO NC1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1 ZINC000002036827 295210727 /nfs/dbraw/zinc/21/07/27/295210727.db2.gz LNLMGKOHYYEWMY-UHFFFAOYSA-N 1 0 285.734 2.690 50 0 in-vitro CFAARO COc1ccccc1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@@H]12 ZINC000016032411 295395960 /nfs/dbraw/zinc/39/59/60/295395960.db2.gz DWFHSNCUMBKUCN-CWRNSKLLSA-N 1 0 261.365 2.651 50 0 biogenic,in-vitro CFAARO C[C@H](CCO)[NH2+][C@H]1CCCSc2ccccc21 ZINC000095422784 298450412 /nfs/dbraw/zinc/45/04/12/298450412.db2.gz BPKNFAYAYPNBCW-YPMHNXCESA-N 1 0 251.395 2.974 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]CC1(c2ccccc2)CC1 ZINC000069874623 302784799 /nfs/dbraw/zinc/78/47/99/302784799.db2.gz UDXTVIIPVNIQBR-UHFFFAOYSA-N 1 0 298.434 2.616 50 0 CFAARO CCN(Cc1ccc(C)o1)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000534586751 328315835 /nfs/dbraw/zinc/31/58/35/328315835.db2.gz ARQXBMOFZMNELY-ZDUSSCGKSA-N 1 0 293.411 2.604 50 0 CFAARO CCC[N@@H+]1CC[C@H](CNc2nnc(C)c3ccccc32)C1 ZINC000534592662 328318604 /nfs/dbraw/zinc/31/86/04/328318604.db2.gz UCTHJVXFFYKJQK-CQSZACIVSA-N 1 0 284.407 2.504 50 0 CFAARO c1sc(-c2ccncc2)nc1CC[NH2+][C@@H]1CCCOC1 ZINC000534629988 328328598 /nfs/dbraw/zinc/32/85/98/328328598.db2.gz UEMWOFXIYJPLCL-CYBMUJFWSA-N 1 0 289.404 2.516 50 0 CFAARO C[C@@H](CCO)[NH2+]Cc1nc2cc(C(C)(C)C)ccc2o1 ZINC000534637041 328334400 /nfs/dbraw/zinc/33/44/00/328334400.db2.gz DXDZGIRVDVTOHY-NSHDSACASA-N 1 0 276.380 2.986 50 0 CFAARO CCOc1ccnc(NC[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000534655193 328339312 /nfs/dbraw/zinc/33/93/12/328339312.db2.gz FBKCSNDFRPJORK-CYBMUJFWSA-N 1 0 290.411 2.552 50 0 CFAARO O=C(NCCc1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000534667455 328345746 /nfs/dbraw/zinc/34/57/46/328345746.db2.gz VTEGTEDNENXYAI-KRWDZBQOSA-N 1 0 296.414 2.888 50 0 CFAARO C[C@H](Cn1ccnc1)[NH2+]CCCOC1CCCCC1 ZINC000534649282 328343847 /nfs/dbraw/zinc/34/38/47/328343847.db2.gz DJMRKSHZBDLVKX-CQSZACIVSA-N 1 0 265.401 2.601 50 0 CFAARO CC1(C)C[C@@H]([NH2+]CC(=O)Nc2ccccc2F)C(C)(C)O1 ZINC000132584465 323626034 /nfs/dbraw/zinc/62/60/34/323626034.db2.gz DGNPVJQOYSTNSP-CYBMUJFWSA-N 1 0 294.370 2.700 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000191107750 324045610 /nfs/dbraw/zinc/04/56/10/324045610.db2.gz RIRRUKFSTYUOCM-UONOGXRCSA-N 1 0 287.469 2.782 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000195568900 324109287 /nfs/dbraw/zinc/10/92/87/324109287.db2.gz WMUPTCMZBCYMKS-DYEKYZERSA-N 1 0 276.428 2.997 50 0 CFAARO CC(C)SCC(=O)Nc1ccccc1C[NH+](C)C ZINC000032914526 326897933 /nfs/dbraw/zinc/89/79/33/326897933.db2.gz IOHJQQZNJSOBMN-UHFFFAOYSA-N 1 0 266.410 2.828 50 0 CFAARO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000107053911 327247445 /nfs/dbraw/zinc/24/74/45/327247445.db2.gz BWZYZKZKNYDDJS-HZPDHXFCSA-N 1 0 263.381 2.529 50 0 CFAARO Cc1c(NC(=O)[C@@H](C)[NH+]2CCCCCC2)n[nH]c1C1CC1 ZINC000096436262 329526382 /nfs/dbraw/zinc/52/63/82/329526382.db2.gz AWYWLKUWDAQTPT-GFCCVEGCSA-N 1 0 290.411 2.799 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000096477845 329526797 /nfs/dbraw/zinc/52/67/97/329526797.db2.gz FXUMFKAAZVIKCR-BUXKBTBVSA-N 1 0 285.428 2.894 50 0 CFAARO Cc1ccc(C)c([C@H](O)CN2CCC([NH2+]C(C)C)CC2)c1 ZINC000096443312 533713333 /nfs/dbraw/zinc/71/33/33/533713333.db2.gz NHYRCDQLXZTULA-GOSISDBHSA-N 1 0 290.451 2.799 50 0 CFAARO Cc1cc(Cl)cc(C)c1C[NH2+]C1(CO)CCOCC1 ZINC000096493573 533769568 /nfs/dbraw/zinc/76/95/68/533769568.db2.gz BUPZIQPTYLHOMS-UHFFFAOYSA-N 1 0 283.799 2.588 50 0 CFAARO O[C@H](C[N@H+](Cc1ccncc1)C1CC1)c1ccc(F)cc1 ZINC000096452807 534426545 /nfs/dbraw/zinc/42/65/45/534426545.db2.gz DJCLWRZMYFAXTO-QGZVFWFLSA-N 1 0 286.350 2.919 50 0 CFAARO CC(C)c1cc(C(=O)N2CC[C@H](C[NH3+])C2)c2ccccc2n1 ZINC000178585155 519831732 /nfs/dbraw/zinc/83/17/32/519831732.db2.gz JMFDQXVWRSVXDM-CYBMUJFWSA-N 1 0 297.402 2.779 50 0 CFAARO CN(C)CC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000019872371 521787459 /nfs/dbraw/zinc/78/74/59/521787459.db2.gz KOBMPMGYVHNVDE-UHFFFAOYSA-N 1 0 262.328 2.737 50 0 CFAARO CN(C)c1nccc(C[NH2+][C@H]2CCCC23CCCC3)n1 ZINC000340319273 522360819 /nfs/dbraw/zinc/36/08/19/522360819.db2.gz YYFHVVYAAHSNMX-AWEZNQCLSA-N 1 0 274.412 2.745 50 0 CFAARO O=C(NC[C@H]1CCCCC[NH2+]1)Nc1cc(F)ccc1F ZINC000097742954 534639044 /nfs/dbraw/zinc/63/90/44/534639044.db2.gz XWYDOBCGGPGEJT-LLVKDONJSA-N 1 0 283.322 2.619 50 0 CFAARO CC[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1 ZINC000340681113 523105869 /nfs/dbraw/zinc/10/58/69/523105869.db2.gz PJTZRRUWHOKYLJ-HNNXBMFYSA-N 1 0 260.381 2.519 50 0 CFAARO COc1ccc(C[N@H+](C)CCCc2nccn2C)c(F)c1 ZINC000215051525 524004357 /nfs/dbraw/zinc/00/43/57/524004357.db2.gz YVILPVLAHDBRPW-UHFFFAOYSA-N 1 0 291.370 2.632 50 0 CFAARO Cc1ccc(C)c(OCCOCC[NH+]2CCCC2)c1 ZINC000016663503 524178769 /nfs/dbraw/zinc/17/87/69/524178769.db2.gz RZECIYMYXVBWHE-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO Cc1cccn2c(C[NH2+][C@H]3CCCSC3)cnc12 ZINC000336617305 525465915 /nfs/dbraw/zinc/46/59/15/525465915.db2.gz ZNUGUMLOINIPJW-LBPRGKRZSA-N 1 0 261.394 2.628 50 0 CFAARO Cc1ccc([C@@H]([NH3+])C(=O)N(C)Cc2ccccc2F)cc1 ZINC000228076337 525765223 /nfs/dbraw/zinc/76/52/23/525765223.db2.gz TYVDICPBWRJTRJ-MRXNPFEDSA-N 1 0 286.350 2.793 50 0 CFAARO Cc1nc(CO[C@@H]2CCN(c3cc[nH+]cc3C)C2)cs1 ZINC000377180148 526904221 /nfs/dbraw/zinc/90/42/21/526904221.db2.gz RBSBCPVDPIXFDU-CQSZACIVSA-N 1 0 289.404 2.950 50 0 CFAARO CCN(CC)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000096483351 528044491 /nfs/dbraw/zinc/04/44/91/528044491.db2.gz KQHXBWJERMXWEV-HNNXBMFYSA-N 1 0 277.412 2.861 50 0 CFAARO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490610 529226324 /nfs/dbraw/zinc/22/63/24/529226324.db2.gz URWBSVFZEIGXOS-UONOGXRCSA-N 1 0 287.407 2.822 50 0 CFAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000096455612 529228062 /nfs/dbraw/zinc/22/80/62/529228062.db2.gz UZCMSMGTJXNRRK-CABCVRRESA-N 1 0 292.448 2.939 50 0 CFAARO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C)on2)C1 ZINC000096441711 529233230 /nfs/dbraw/zinc/23/32/30/529233230.db2.gz FRGPVYIMSYSRLH-NEPJUHHUSA-N 1 0 297.424 2.528 50 0 CFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cc(C2CC2)n[nH]1 ZINC000670452533 567182000 /nfs/dbraw/zinc/18/20/00/567182000.db2.gz CENAWMVJZXROBF-UHFFFAOYSA-N 1 0 287.411 2.692 50 0 CFAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000048784900 574371456 /nfs/dbraw/zinc/37/14/56/574371456.db2.gz YGUIQYFZWQBZAM-UHFFFAOYSA-N 1 0 298.390 2.901 50 0 CFAARO CC(C)Cc1nc(C(C)(C)[NH3+])n(-c2cccc(F)c2)n1 ZINC000952975175 614232928 /nfs/dbraw/zinc/23/29/28/614232928.db2.gz OJZYGPUZHYUQFH-UHFFFAOYSA-N 1 0 276.359 2.799 50 0 CFAARO CCC1(CC)C[C@H]1C[NH2+]Cc1c(CO)cnc(C)c1O ZINC000952981170 614689654 /nfs/dbraw/zinc/68/96/54/614689654.db2.gz ZOEVGHZKWOAMFP-ZDUSSCGKSA-N 1 0 278.396 2.504 50 0 CFAARO CCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000952987646 615064996 /nfs/dbraw/zinc/06/49/96/615064996.db2.gz KHVHTDNTLZLXCY-OAHLLOKOSA-N 1 0 298.386 2.905 50 0 CFAARO CCN(Cc1[nH]nc(C)c1Cl)C[C@@H]1CC[N@H+](CC)C1 ZINC000952987219 615203938 /nfs/dbraw/zinc/20/39/38/615203938.db2.gz JHMFDNSGEUOZIJ-GFCCVEGCSA-N 1 0 284.835 2.535 50 0 CFAARO CCn1cc(C[NH2+]CCOc2cccc3cccnc32)cn1 ZINC000952983703 615997174 /nfs/dbraw/zinc/99/71/74/615997174.db2.gz QMQNFMCPJZTYAQ-UHFFFAOYSA-N 1 0 296.374 2.620 50 0 CFAARO C[C@@H](c1ccccc1F)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000051877694 618097383 /nfs/dbraw/zinc/09/73/83/618097383.db2.gz OXYPEZHNGMEQBY-LBPRGKRZSA-N 1 0 290.382 2.877 50 0 CFAARO c1oc2ccccc2c1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000261926790 619320870 /nfs/dbraw/zinc/32/08/70/619320870.db2.gz CIKKSEZYLHRSAO-KRWDZBQOSA-N 1 0 293.370 2.974 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(/C)c2cccc(F)c2)C1 ZINC000096482481 620432558 /nfs/dbraw/zinc/43/25/58/620432558.db2.gz GWBVGUHBJRVLIB-RNQWEJQRSA-N 1 0 290.382 2.687 50 0 CFAARO Cc1ccc(-c2noc([C@@H]3CN(C)C[C@@H](C)O3)n2)cc1F ZINC000874434707 624453215 /nfs/dbraw/zinc/45/32/15/624453215.db2.gz AQKUJKMRXDAMHF-MFKMUULPSA-N 1 0 291.326 2.576 50 0 CFAARO Cc1oc(-c2ccccc2Cl)nc1CN1CC[NH2+]CC1 ZINC000057604901 626096975 /nfs/dbraw/zinc/09/69/75/626096975.db2.gz DINYZEUZGYBBKC-UHFFFAOYSA-N 1 0 291.782 2.709 50 0 CFAARO FC(F)(F)c1c[nH+]ccc1N1CC[C@@H](c2cnccn2)C1 ZINC000952995511 626124880 /nfs/dbraw/zinc/12/48/80/626124880.db2.gz OCGYZGJYNJVMGN-SNVBAGLBSA-N 1 0 294.280 2.884 50 0 CFAARO CCCc1noc(CN2CCC([C@H](O)CC(C)C)CC2)n1 ZINC000011813954 626190786 /nfs/dbraw/zinc/19/07/86/626190786.db2.gz ATKRELJXCGSLCD-CQSZACIVSA-N 1 0 295.427 2.641 50 0 CFAARO Cn1ccc2ccc(C[N@@H+]3CC[C@H](C(C)(C)O)C3)cc21 ZINC000670449151 626408170 /nfs/dbraw/zinc/40/81/70/626408170.db2.gz WGTGYQYSDDWEAM-HNNXBMFYSA-N 1 0 272.392 2.771 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@H](C)Cc1ccccn1 ZINC000863982656 637832742 /nfs/dbraw/zinc/83/27/42/637832742.db2.gz XXQBSHPKPPEYOP-CQSZACIVSA-N 1 0 294.402 2.961 50 0 CFAARO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCCNc1ccccc1 ZINC000863984688 637833019 /nfs/dbraw/zinc/83/30/19/637833019.db2.gz YWIIPGKRHGVCRC-FOLVSLTJSA-N 1 0 262.397 2.749 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000863984702 637833151 /nfs/dbraw/zinc/83/31/51/637833151.db2.gz ZSPPFMUTXAQTBF-VNHYZAJKSA-N 1 0 274.412 2.708 50 0 CFAARO O=C(C[NH+]1CCCCCC1)NCCC1CCCC1 ZINC000952965150 650789902 /nfs/dbraw/zinc/78/99/02/650789902.db2.gz SDACPGFNWLHRDN-UHFFFAOYSA-N 1 0 252.402 2.559 50 0 CFAARO CCSC[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000952990064 650791529 /nfs/dbraw/zinc/79/15/29/650791529.db2.gz UMMXLQQFMPVGSR-CYBMUJFWSA-N 1 0 258.475 2.982 50 0 CFAARO Clc1cncc(CN2CC[C@H](c3ncccn3)C2)c1 ZINC000952995605 650792771 /nfs/dbraw/zinc/79/27/71/650792771.db2.gz RGRDJECIIABXNS-LBPRGKRZSA-N 1 0 274.755 2.515 50 0 CFAARO C/C(=C/c1ccc(F)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095971551 650981799 /nfs/dbraw/zinc/98/17/99/650981799.db2.gz WBIKDVLRWVSMKE-HQHAKSEASA-N 1 0 288.366 2.628 50 0 CFAARO O=C(Nc1ccccc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939045 647818538 /nfs/dbraw/zinc/81/85/38/647818538.db2.gz DBAUTHDMBHKKOS-UHFFFAOYSA-N 1 0 273.380 2.779 50 0 CFAARO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000000758203 651113764 /nfs/dbraw/zinc/11/37/64/651113764.db2.gz ATOIFDNGIQBLAA-LSDHHAIUSA-N 1 0 251.345 2.915 50 0 CFAARO Cc1ncsc1CCC[N@@H+](C)Cc1c(C)n[nH]c1C ZINC000020999138 651302600 /nfs/dbraw/zinc/30/26/00/651302600.db2.gz SSOFWWCTTFTILJ-UHFFFAOYSA-N 1 0 278.425 2.856 50 0 CFAARO CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000081009936 778560678 /nfs/dbraw/zinc/56/06/78/778560678.db2.gz HIJGKCOOJRGDNU-LLVKDONJSA-N 1 0 295.814 2.686 50 0 CFAARO Cc1ccsc1CNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063845020 781561739 /nfs/dbraw/zinc/56/17/39/781561739.db2.gz HHYKZGIFDVXNSW-HZPDHXFCSA-N 1 0 294.464 2.526 50 0 CFAARO CC1(C)CC(Cc2ncnn2-c2ccncc2)CC(C)(C)[NH2+]1 ZINC000822293576 781897038 /nfs/dbraw/zinc/89/70/38/781897038.db2.gz QDWWJJCDWKPYKX-UHFFFAOYSA-N 1 0 299.422 2.762 50 0 CFAARO CC[C@H](C(=O)N(CC)C1CCCCC1)[N@H+](C)CC ZINC000822542435 781903905 /nfs/dbraw/zinc/90/39/05/781903905.db2.gz JUAOCSPETZLVIA-CQSZACIVSA-N 1 0 254.418 2.898 50 0 CFAARO CCCO[C@@H]1CCCN(C[C@H]2CCCCC[N@@H+]2C)C1 ZINC000822975660 781918441 /nfs/dbraw/zinc/91/84/41/781918441.db2.gz GRQMHXSSAHAFDW-HZPDHXFCSA-N 1 0 268.445 2.752 50 0 CFAARO CCn1cc(C[NH2+]C[C@@H](C)c2nc3ccccc3o2)cn1 ZINC000096446420 230374604 /nfs/dbraw/zinc/37/46/04/230374604.db2.gz RDYANKIEDWABGA-GFCCVEGCSA-N 1 0 284.363 2.938 50 0 CFAARO c1c[nH]c(C[NH2+]CC2(Cc3ccccc3)CCC2)n1 ZINC000096462930 230378308 /nfs/dbraw/zinc/37/83/08/230378308.db2.gz IOSWUGOCVPSVKD-UHFFFAOYSA-N 1 0 255.365 2.912 50 0 CFAARO C[NH+](C)CCN(Cc1cccs1)c1ncc(Cl)cn1 ZINC000096469370 230378915 /nfs/dbraw/zinc/37/89/15/230378915.db2.gz USOJXOIAHPANHL-UHFFFAOYSA-N 1 0 296.827 2.760 50 0 CFAARO [NH3+][C@@H]1CCCCN(C(=O)OCc2ccccc2Cl)C1 ZINC000082162589 177925361 /nfs/dbraw/zinc/92/53/61/177925361.db2.gz JVJWKJGOINHZNY-GFCCVEGCSA-N 1 0 282.771 2.790 50 0 CFAARO OC[C@@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)s1 ZINC000096492772 230383122 /nfs/dbraw/zinc/38/31/22/230383122.db2.gz RWYWWJNDTIEUDV-ZDUSSCGKSA-N 1 0 274.389 2.767 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc2ncccc2c1 ZINC000095511794 185001354 /nfs/dbraw/zinc/00/13/54/185001354.db2.gz GKEMPDRXVNCKRX-OAHLLOKOSA-N 1 0 298.390 2.841 50 0 CFAARO CC[C@H](NC(=O)CC1CC[NH+](CC)CC1)c1nccs1 ZINC000095517098 185002887 /nfs/dbraw/zinc/00/28/87/185002887.db2.gz CKGHQQXWIYVNCE-ZDUSSCGKSA-N 1 0 295.452 2.832 50 0 CFAARO O=C(CCc1cccc(Cl)c1)NC[C@H]1CCCCC[NH2+]1 ZINC000222864038 230398863 /nfs/dbraw/zinc/39/88/63/230398863.db2.gz OTXLEZSHLDREPR-OAHLLOKOSA-N 1 0 294.826 2.921 50 0 CFAARO Cc1cc(CCCC(=O)N2CC[NH2+]C[C@H]2C)c(C)s1 ZINC000124465253 187138692 /nfs/dbraw/zinc/13/86/92/187138692.db2.gz QKHWXYKNIAVPCJ-LLVKDONJSA-N 1 0 280.437 2.508 50 0 CFAARO [NH3+][C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000095864172 185030274 /nfs/dbraw/zinc/03/02/74/185030274.db2.gz JMJFHAQBHWEMLC-CQSZACIVSA-N 1 0 274.751 2.656 50 0 CFAARO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccco1 ZINC000095967166 185046463 /nfs/dbraw/zinc/04/64/63/185046463.db2.gz SPRFADHHCLEHAW-SNVBAGLBSA-N 1 0 258.312 2.660 50 0 CFAARO CCS(=O)(=O)CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000095967649 185046780 /nfs/dbraw/zinc/04/67/80/185046780.db2.gz LAFKUFUJJNWUHU-GFCCVEGCSA-N 1 0 295.404 2.827 50 0 CFAARO Cc1cnc(CNC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000095968620 185047974 /nfs/dbraw/zinc/04/79/74/185047974.db2.gz DPHNWDSEXZHVSQ-UHFFFAOYSA-N 1 0 267.442 2.804 50 0 CFAARO CC(C)(C[NH2+][C@H]1CCN(C2CC2)C1)CC1CCOCC1 ZINC000095969388 185048173 /nfs/dbraw/zinc/04/81/73/185048173.db2.gz HILBYYNLMQMIKJ-HNNXBMFYSA-N 1 0 280.456 2.656 50 0 CFAARO Cc1csc(C[NH2+][C@H](C)C[C@H](O)c2ccco2)n1 ZINC000095978183 185052146 /nfs/dbraw/zinc/05/21/46/185052146.db2.gz CPPJVQHEZOFSOH-KOLCDFICSA-N 1 0 266.366 2.646 50 0 CFAARO CC(C)(C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000095984285 185055148 /nfs/dbraw/zinc/05/51/48/185055148.db2.gz OIUPOQKWMJDLBA-DZGCQCFKSA-N 1 0 274.408 2.598 50 0 CFAARO C[C@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)C1CCOCC1 ZINC000095985374 185055256 /nfs/dbraw/zinc/05/52/56/185055256.db2.gz UHGLYDKBYHOGNG-FZMZJTMJSA-N 1 0 296.436 2.899 50 0 CFAARO COc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c2ccccc2n1 ZINC000124828185 187156379 /nfs/dbraw/zinc/15/63/79/187156379.db2.gz CKOOAPUVYVKUTI-CHWSQXEVSA-N 1 0 286.375 2.758 50 0 CFAARO [NH3+][C@H](CC(=O)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000096663624 185108608 /nfs/dbraw/zinc/10/86/08/185108608.db2.gz UISXMIUZBRLXIC-QGZVFWFLSA-N 1 0 286.419 2.595 50 0 CFAARO C[C@@H]([NH2+]Cc1ccncc1Cl)C1CCOCC1 ZINC000097033543 185156439 /nfs/dbraw/zinc/15/64/39/185156439.db2.gz VUXNYAZIRFIQOD-SNVBAGLBSA-N 1 0 254.761 2.640 50 0 CFAARO CCc1nn(C)cc1C[N@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000097033989 185156904 /nfs/dbraw/zinc/15/69/04/185156904.db2.gz DLQIWNAQSVXMJU-KGLIPLIRSA-N 1 0 267.442 2.698 50 0 CFAARO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc(CO)c1 ZINC000097035120 185157483 /nfs/dbraw/zinc/15/74/83/185157483.db2.gz LURJPEGHAXEWQV-GUYCJALGSA-N 1 0 283.371 2.833 50 0 CFAARO CCc1noc(C)c1NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000125479930 187187298 /nfs/dbraw/zinc/18/72/98/187187298.db2.gz UZECYQVDZXISGQ-CMPLNLGQSA-N 1 0 279.384 2.510 50 0 CFAARO O=C1N2CC[NH2+]C[C@H]2[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000072233677 346923950 /nfs/dbraw/zinc/92/39/50/346923950.db2.gz GGNMCQFOVFNIOU-DLBZAZTESA-N 1 0 299.418 2.770 50 0 CFAARO C[C@@H]([NH2+]CCC1OCCO1)c1nc(C(C)(C)C)cs1 ZINC000126900993 187268589 /nfs/dbraw/zinc/26/85/89/187268589.db2.gz WJJKSOROWVHXHT-SNVBAGLBSA-N 1 0 284.425 2.854 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000299738437 539357543 /nfs/dbraw/zinc/35/75/43/539357543.db2.gz ATCACFKYFYDCKK-IOASZLSFSA-N 1 0 292.398 2.590 50 0 CFAARO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000300411666 539380601 /nfs/dbraw/zinc/38/06/01/539380601.db2.gz OYXYHSTZPNAVOP-CFVMTHIKSA-N 1 0 261.365 2.651 50 0 CFAARO C[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CCCO1 ZINC000075093166 347054234 /nfs/dbraw/zinc/05/42/34/347054234.db2.gz YTXKYKPTAMTDPF-IUODEOHRSA-N 1 0 271.364 2.734 50 0 CFAARO CSCC[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000097081046 185523318 /nfs/dbraw/zinc/52/33/18/185523318.db2.gz JACFICRIKRYKDO-NSHDSACASA-N 1 0 285.482 2.843 50 0 CFAARO Cc1nc(C)c(C[NH2+][C@H]2c3ccccc3C[C@H]2O)s1 ZINC000076868468 539493256 /nfs/dbraw/zinc/49/32/56/539493256.db2.gz ADUNKYULLPFIHX-HIFRSBDPSA-N 1 0 274.389 2.508 50 0 CFAARO COc1ccc2[nH]cc([C@@H](O)C[N@@H+]3CCC[C@@H](C)C3)c2c1 ZINC000005164686 346211054 /nfs/dbraw/zinc/21/10/54/346211054.db2.gz NPLPQYZRGWDEBQ-PXAZEXFGSA-N 1 0 288.391 2.942 50 0 CFAARO CN1CC[C@H]([NH2+]C2CCCCCCC2)CCC1=O ZINC000012278602 346231235 /nfs/dbraw/zinc/23/12/35/346231235.db2.gz ZCKLEMNIRZQLNH-CQSZACIVSA-N 1 0 252.402 2.700 50 0 CFAARO O=c1[nH]c(SCC[NH+]2CCCCC2)nc2ccccc21 ZINC000013983564 346233126 /nfs/dbraw/zinc/23/31/26/346233126.db2.gz QEAAIHDHSHTGMZ-UHFFFAOYSA-N 1 0 289.404 2.913 50 0 CFAARO CCc1nc(C)c(C[NH+]2CCC(Cn3cccn3)CC2)o1 ZINC000020912091 346245099 /nfs/dbraw/zinc/24/50/99/346245099.db2.gz GCYKTDPJGRBTLW-UHFFFAOYSA-N 1 0 288.395 2.654 50 0 CFAARO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCSC1)CC2 ZINC000023283041 346252200 /nfs/dbraw/zinc/25/22/00/346252200.db2.gz KYFQUVCQJFGWCO-ZDUSSCGKSA-N 1 0 279.405 2.567 50 0 CFAARO O=C(c1ccccc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000032229060 346301150 /nfs/dbraw/zinc/30/11/50/346301150.db2.gz LTUBYWMAICEYCD-INIZCTEOSA-N 1 0 272.392 2.777 50 0 CFAARO O=C(N[C@@H]1CCc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066176413 346749403 /nfs/dbraw/zinc/74/94/03/346749403.db2.gz UTZGPSBONYRDNX-DOTOQJQBSA-N 1 0 299.418 2.554 50 0 CFAARO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071442 347117214 /nfs/dbraw/zinc/11/72/14/347117214.db2.gz MNXXRKRFBYKUSJ-STQMWFEESA-N 1 0 286.485 2.897 50 0 CFAARO CCn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccsc2)cn1 ZINC000078880759 347278126 /nfs/dbraw/zinc/27/81/26/347278126.db2.gz PYDNCPZYPBYJJP-UKRRQHHQSA-N 1 0 291.420 2.832 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(Cl)o2)[C@H](C)C1 ZINC000078897202 347279018 /nfs/dbraw/zinc/27/90/18/347279018.db2.gz WPPVMWJHVKSVRO-ZYHUDNBSSA-N 1 0 284.787 2.670 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000089686440 347526886 /nfs/dbraw/zinc/52/68/86/347526886.db2.gz ADAPTOTVYCVSLU-GUYCJALGSA-N 1 0 274.408 2.650 50 0 CFAARO CCC(C)(C)C[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000089941995 347533254 /nfs/dbraw/zinc/53/32/54/347533254.db2.gz VNCYLICWGWIPJN-GXTWGEPZSA-N 1 0 265.401 2.524 50 0 CFAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc[nH]c1 ZINC000086255203 179257220 /nfs/dbraw/zinc/25/72/20/179257220.db2.gz QHIMJXBACVRNJN-KBPBESRZSA-N 1 0 293.411 2.798 50 0 CFAARO CCc1oc2ccccc2c1C[N@@H+]1CC[C@H](CO)C1 ZINC000092763777 347645828 /nfs/dbraw/zinc/64/58/28/347645828.db2.gz CUWLNONUVRPIQQ-LBPRGKRZSA-N 1 0 259.349 2.809 50 0 CFAARO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H]2C1 ZINC000095466081 347698506 /nfs/dbraw/zinc/69/85/06/347698506.db2.gz VNHJRPIXLNHDGH-SMDDNHRTSA-N 1 0 293.798 2.898 50 0 CFAARO Cc1cc([C@H]2C[N@H+](C[C@@H]3CCOC3)CCO2)ccc1F ZINC000095978964 347699785 /nfs/dbraw/zinc/69/97/85/347699785.db2.gz WJUZHVWHEBGVAF-XJKSGUPXSA-N 1 0 279.355 2.544 50 0 CFAARO CC(C)(C)OC1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000095987304 347699818 /nfs/dbraw/zinc/69/98/18/347699818.db2.gz JTSGKUCIMRKQHK-IRXDYDNUSA-N 1 0 289.419 2.924 50 0 CFAARO COc1ccc(C(=O)C(C)(C)[NH2+]C(C)C)cc1OC ZINC000096027093 347700345 /nfs/dbraw/zinc/70/03/45/347700345.db2.gz MEJGXIAKHFBTGG-UHFFFAOYSA-N 1 0 265.353 2.663 50 0 CFAARO C[NH2+][C@]1(c2ccccc2Cl)CCC[C@@H]1C(=O)OC ZINC000096027565 347700501 /nfs/dbraw/zinc/70/05/01/347700501.db2.gz OQSFGKKBEFIAOR-RISCZKNCSA-N 1 0 267.756 2.728 50 0 CFAARO C[N@H+](CCSc1nncs1)Cc1ccc(F)cc1 ZINC000097377148 347709414 /nfs/dbraw/zinc/70/94/14/347709414.db2.gz ORKDERWLWDZPFI-UHFFFAOYSA-N 1 0 283.397 2.901 50 0 CFAARO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000124332660 347823400 /nfs/dbraw/zinc/82/34/00/347823400.db2.gz POALPRIWFLZQLE-SRVKXCTJSA-N 1 0 294.361 2.952 50 0 CFAARO CC(C)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1 ZINC000125567859 347828379 /nfs/dbraw/zinc/82/83/79/347828379.db2.gz LSCXSACDHJCMGB-XJKSGUPXSA-N 1 0 262.397 2.846 50 0 CFAARO CC[C@H](C)[N@@H+](Cc1cccn1C)C[C@@H](O)COC(C)(C)C ZINC000169677301 348051733 /nfs/dbraw/zinc/05/17/33/348051733.db2.gz VUTLPXRKTSBDFA-GOEBONIOSA-N 1 0 296.455 2.802 50 0 CFAARO O[C@@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccco1 ZINC000170073229 348053436 /nfs/dbraw/zinc/05/34/36/348053436.db2.gz MUVOVEAYRGTMJS-KGLIPLIRSA-N 1 0 291.322 2.956 50 0 CFAARO O=C(NCCC[NH+]1Cc2ccccc2C1)C1CCCC1 ZINC000170640292 348058582 /nfs/dbraw/zinc/05/85/82/348058582.db2.gz KITRQPNPURMWKQ-UHFFFAOYSA-N 1 0 272.392 2.699 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1=O ZINC000189501304 348133870 /nfs/dbraw/zinc/13/38/70/348133870.db2.gz AXXOQCCFKOISLR-FRRDWIJNSA-N 1 0 271.426 2.594 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCSC1)[C@@H](O)c1ccc(F)c(F)c1 ZINC000195558683 348146251 /nfs/dbraw/zinc/14/62/51/348146251.db2.gz SDBPWLJDPKPMAT-NURSFMCSSA-N 1 0 287.375 2.872 50 0 CFAARO OC[C@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000225531580 348178483 /nfs/dbraw/zinc/17/84/83/348178483.db2.gz IFPXGUMNGVUYPA-LSDHHAIUSA-N 1 0 299.798 2.506 50 0 CFAARO Fc1ccc(N2CC[C@@H](CNc3ccncc3F)C2)cc1 ZINC000584885001 348726605 /nfs/dbraw/zinc/72/66/05/348726605.db2.gz QNUPKWNDLSYXSE-LBPRGKRZSA-N 1 0 289.329 2.720 50 0 CFAARO CCc1nccn1C[C@H](C)[NH2+]Cc1cn2c(cccc2C)n1 ZINC000584886853 348727581 /nfs/dbraw/zinc/72/75/81/348727581.db2.gz AYLQVRGRSJCGFN-ZDUSSCGKSA-N 1 0 297.406 2.580 50 0 CFAARO Clc1cnc(NC2(C[NH+]3CCCCC3)CC2)nc1 ZINC000584890260 348727912 /nfs/dbraw/zinc/72/79/12/348727912.db2.gz KQBYFTZCTHGUNJ-UHFFFAOYSA-N 1 0 266.776 2.560 50 0 CFAARO COc1ccc2[nH]c(CC[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000584892302 348728953 /nfs/dbraw/zinc/72/89/53/348728953.db2.gz KODNMFUIIFBOAW-LLVKDONJSA-N 1 0 291.420 2.599 50 0 CFAARO Cc1nccn1CC[C@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584891862 348729112 /nfs/dbraw/zinc/72/91/12/348729112.db2.gz GTKUOFMILGOLNG-ZDUSSCGKSA-N 1 0 272.396 2.772 50 0 CFAARO Cn1c2ccccc2nc1C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000584898825 348731457 /nfs/dbraw/zinc/73/14/57/348731457.db2.gz DOQUHBLSBRGOHX-HNNXBMFYSA-N 1 0 299.418 2.932 50 0 CFAARO CC(C)c1cc(N2Cc3cnn(C)c3C2)nc(C(C)C)n1 ZINC000585132748 348734229 /nfs/dbraw/zinc/73/42/29/348734229.db2.gz SAWTWTJZHJPXQJ-UHFFFAOYSA-N 1 0 285.395 2.977 50 0 CFAARO CC[C@](C)(O)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000585137240 348736676 /nfs/dbraw/zinc/73/66/76/348736676.db2.gz NSJBMQWKKWQLKI-ZDUSSCGKSA-N 1 0 268.744 2.732 50 0 CFAARO O[C@H](c1ccccc1)C1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000075558139 539705020 /nfs/dbraw/zinc/70/50/20/539705020.db2.gz IBMLSDBIMXZVKX-QGZVFWFLSA-N 1 0 270.376 2.960 50 0 CFAARO Cc1noc(CC[NH2+][C@H](C)[C@@H](C)c2ccccc2)n1 ZINC000089518723 179808332 /nfs/dbraw/zinc/80/83/32/179808332.db2.gz JSHXISSPHAXJTF-VXGBXAGGSA-N 1 0 259.353 2.702 50 0 CFAARO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cnccn1 ZINC000090666951 180020060 /nfs/dbraw/zinc/02/00/60/180020060.db2.gz FIHYEKZTAVKWCH-LSDHHAIUSA-N 1 0 276.428 2.638 50 0 CFAARO C[C@H]([NH2+]CCOc1ccccc1Cl)c1cnn(C)c1 ZINC000090772496 180037663 /nfs/dbraw/zinc/03/76/63/180037663.db2.gz GNTGVPBSHUUDQQ-NSHDSACASA-N 1 0 279.771 2.803 50 0 CFAARO Cc1cc(NCc2cc(-c3cccc(F)c3)no2)nc(N)[nH+]1 ZINC000091270378 180118145 /nfs/dbraw/zinc/11/81/45/180118145.db2.gz LNDCQBSZVCFSSE-UHFFFAOYSA-N 1 0 299.309 2.773 50 0 CFAARO Fc1ccc([C@H](CNc2ccncn2)[NH+]2CCCC2)cc1 ZINC000091452192 180158584 /nfs/dbraw/zinc/15/85/84/180158584.db2.gz JYOQDVNLHMRFIC-HNNXBMFYSA-N 1 0 286.354 2.865 50 0 CFAARO Cc1cc(C)c2[nH]c(C[NH2+]Cc3ccccn3)cc(=O)c2c1 ZINC000091469072 180164920 /nfs/dbraw/zinc/16/49/20/180164920.db2.gz HJLAHAQUHHSQLB-UHFFFAOYSA-N 1 0 293.370 2.830 50 0 CFAARO CCN1C[C@H](C[N@H+](C)C[C@H](C)c2ccccc2)CC1=O ZINC000105112615 186042691 /nfs/dbraw/zinc/04/26/91/186042691.db2.gz LYWFJQXOQYQPTH-GJZGRUSLSA-N 1 0 274.408 2.590 50 0 CFAARO CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091541237 180183468 /nfs/dbraw/zinc/18/34/68/180183468.db2.gz FKAYAWDLQGGXEY-ZJUUUORDSA-N 1 0 284.762 2.565 50 0 CFAARO Cc1ccc(F)cc1CN1CC2(CC[NH2+]CC2)CCC1=O ZINC000091931319 180288530 /nfs/dbraw/zinc/28/85/30/180288530.db2.gz NTRKRSQOYFPWOI-UHFFFAOYSA-N 1 0 290.382 2.626 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cnc(CC3CCCC3)[nH]2)CC[C@]1(C)O ZINC000091951951 180291561 /nfs/dbraw/zinc/29/15/61/180291561.db2.gz GQKAYWIQVVHPTI-DYVFJYSZSA-N 1 0 291.439 2.735 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)c(C)c2)C1 ZINC000092101346 180325384 /nfs/dbraw/zinc/32/53/84/180325384.db2.gz QZFOVHCQDHCICM-QGZVFWFLSA-N 1 0 274.408 2.604 50 0 CFAARO CN(Cc1ccc(Cl)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253340 180353561 /nfs/dbraw/zinc/35/35/61/180353561.db2.gz GBYPWTPVUZYQJJ-LLVKDONJSA-N 1 0 256.777 2.707 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000105878741 186082502 /nfs/dbraw/zinc/08/25/02/186082502.db2.gz NLEXLHMLXWWAIQ-HZSPNIEDSA-N 1 0 292.427 2.769 50 0 CFAARO CCc1nc(C[NH2+]C[C@H]2CSCCS2)cs1 ZINC000129892991 187459295 /nfs/dbraw/zinc/45/92/95/187459295.db2.gz WMPOTTWLSVHFBF-JTQLQIEISA-N 1 0 274.480 2.644 50 0 CFAARO Cc1ccc(/C=C\C(=O)N2CCC(C[NH3+])CC2)c(C)c1 ZINC000606441339 351270293 /nfs/dbraw/zinc/27/02/93/351270293.db2.gz 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/nfs/dbraw/zinc/88/05/08/539880508.db2.gz SJNWXVCHVFBTGA-DBVFPWQWSA-N 1 0 261.365 2.866 50 0 CFAARO C[C@H]([NH3+])C(=O)N(CCc1ccccc1)Cc1cccs1 ZINC000151478925 187964414 /nfs/dbraw/zinc/96/44/14/187964414.db2.gz SYYOFAZVXZXTBM-ZDUSSCGKSA-N 1 0 288.416 2.667 50 0 CFAARO CS(=O)(=O)C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1 ZINC000154985277 188174601 /nfs/dbraw/zinc/17/46/01/188174601.db2.gz NPJAJWOHLWIAHT-GOEBONIOSA-N 1 0 293.432 2.718 50 0 CFAARO CC(C)[C@@H](CO)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000156272924 188252489 /nfs/dbraw/zinc/25/24/89/188252489.db2.gz AUGMOSMHAOIKLI-CYBMUJFWSA-N 1 0 278.327 2.587 50 0 CFAARO O[C@@H]1CCCC[C@@H]1[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000685939711 540020516 /nfs/dbraw/zinc/02/05/16/540020516.db2.gz FSRNLNFGTHULGV-FHLIZLRMSA-N 1 0 299.418 2.977 50 0 CFAARO O=C(c1ccc(F)cc1)N1CCC[N@H+](CCC2CC2)CC1 ZINC000170645366 188681102 /nfs/dbraw/zinc/68/11/02/188681102.db2.gz PKSRXSZPWSLZJA-UHFFFAOYSA-N 1 0 290.382 2.774 50 0 CFAARO Ic1ccccc1[C@@H]1CCC[NH2+]1 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Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000294656519 199125562 /nfs/dbraw/zinc/12/55/62/199125562.db2.gz CIVQBEGLPDGFIE-TYNCELHUSA-N 1 0 273.380 2.500 50 0 CFAARO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cccnc1 ZINC000092747808 540412742 /nfs/dbraw/zinc/41/27/42/540412742.db2.gz JZQRZTQYJDFMCL-KBXCAEBGSA-N 1 0 282.387 2.956 50 0 CFAARO CN1C[C@H]([NH2+][C@@H]2CCCCc3ccccc32)CCC1=O ZINC000084061459 540681518 /nfs/dbraw/zinc/68/15/18/540681518.db2.gz OMUNTCQHQWMMHX-GDBMZVCRSA-N 1 0 272.392 2.665 50 0 CFAARO [NH3+]Cc1cc(Br)c(Br)cc1F ZINC000263625293 283525719 /nfs/dbraw/zinc/52/57/19/283525719.db2.gz YLEXRMQHPNELMB-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO [NH3+]Cc1c(Br)ccc(F)c1Br ZINC000263623864 283525770 /nfs/dbraw/zinc/52/57/70/283525770.db2.gz LKERRMQMLWBGMC-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO CC(C)[NH2+]Cc1cc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000094829585 540723816 /nfs/dbraw/zinc/72/38/16/540723816.db2.gz JCKOWHJKHNQJFS-UHFFFAOYSA-N 1 0 251.280 2.853 50 0 CFAARO 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541003099 /nfs/dbraw/zinc/00/30/99/541003099.db2.gz KQCYLJHRKOPFKK-ZDUSSCGKSA-N 1 0 288.370 2.823 50 0 CFAARO Cc1nc2cc(C[NH2+][C@H](C)CCn3cccn3)ccc2[nH]1 ZINC000670473361 541011638 /nfs/dbraw/zinc/01/16/38/541011638.db2.gz TZQGJXXCWXKCGS-GFCCVEGCSA-N 1 0 283.379 2.636 50 0 CFAARO CC[C@H]([NH2+]CCc1nc(C)no1)c1ccccc1F ZINC000180842982 189278444 /nfs/dbraw/zinc/27/84/44/189278444.db2.gz BUPCKHMCQUCVGB-ZDUSSCGKSA-N 1 0 263.316 2.801 50 0 CFAARO C[C@@H](c1cnccn1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000184415532 189385901 /nfs/dbraw/zinc/38/59/01/189385901.db2.gz HZNNPPJQYVIJOM-INIZCTEOSA-N 1 0 296.418 2.746 50 0 CFAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1nccs1 ZINC000184553590 189389203 /nfs/dbraw/zinc/38/92/03/189389203.db2.gz WXTMSRZASWSUGT-GHMZBOCLSA-N 1 0 297.424 2.679 50 0 CFAARO OCC[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000667873299 541333448 /nfs/dbraw/zinc/33/34/48/541333448.db2.gz YFHJFYJGSKSKEF-NCOADZHNSA-N 1 0 259.393 2.931 50 0 CFAARO C[C@H](C[NH2+][C@@H](C)c1cccs1)N1CCOC[C@@H]1C ZINC000195540754 189678072 /nfs/dbraw/zinc/67/80/72/189678072.db2.gz XYDYLJZWLYICQG-AGIUHOORSA-N 1 0 268.426 2.508 50 0 CFAARO C[C@@H](Cc1cnccn1)N(C)CC(C)(C)[NH+]1CCCCC1 ZINC000216418801 189703711 /nfs/dbraw/zinc/70/37/11/189703711.db2.gz XBVHARPJTMILNS-HNNXBMFYSA-N 1 0 290.455 2.604 50 0 CFAARO Cc1cc(C[N@H+]2Cc3ccccc3N(C)C[C@H]2C)on1 ZINC000267614321 541596553 /nfs/dbraw/zinc/59/65/53/541596553.db2.gz OUKNNVCCORMKBL-CYBMUJFWSA-N 1 0 271.364 2.824 50 0 CFAARO C1=C(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)CCCC1 ZINC000450402664 242399627 /nfs/dbraw/zinc/39/96/27/242399627.db2.gz KXZAIFQVIRMQQD-QGZVFWFLSA-N 1 0 278.440 2.531 50 0 CFAARO COc1cccc(OCCNC(=[NH2+])Nc2ccccc2)c1 ZINC000225528387 189756287 /nfs/dbraw/zinc/75/62/87/189756287.db2.gz LBQQFQCGHLJORD-UHFFFAOYSA-N 1 0 285.347 2.710 50 0 CFAARO C[NH+](C)CCOC(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000000044449 371515164 /nfs/dbraw/zinc/51/51/64/371515164.db2.gz QNZXCTPKUNGIIY-UHFFFAOYSA-N 1 0 297.354 2.636 50 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AVXVXRXGZMJEJY-CYBMUJFWSA-N 1 0 287.363 2.586 50 0 CFAARO O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000000176266 371549639 /nfs/dbraw/zinc/54/96/39/371549639.db2.gz HVZBZEUZTBLLMM-UHFFFAOYSA-N 1 0 258.365 2.600 50 0 CFAARO [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000000193616 371554463 /nfs/dbraw/zinc/55/44/63/371554463.db2.gz RZMUABAAIKIJCD-OAHLLOKOSA-N 1 0 279.343 2.676 50 0 CFAARO COc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1CO ZINC000000212724 371559716 /nfs/dbraw/zinc/55/97/16/371559716.db2.gz LATGVFKWEFJIKK-AWEZNQCLSA-N 1 0 271.360 2.805 50 0 CFAARO CCOC(=O)N1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC000000217621 371561097 /nfs/dbraw/zinc/56/10/97/371561097.db2.gz DFOKAPYVHJZAAN-UHFFFAOYSA-N 1 0 280.343 2.536 50 0 CFAARO COc1ccccc1[C@@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000000244179 371568305 /nfs/dbraw/zinc/56/83/05/371568305.db2.gz XVIFVXYPSCNQJH-INIZCTEOSA-N 1 0 263.381 2.871 50 0 CFAARO COC[C@H](C)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000000275029 371575152 /nfs/dbraw/zinc/57/51/52/371575152.db2.gz 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BMNOFJQQVWBTHV-HNNXBMFYSA-N 1 0 271.360 2.989 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)cc1 ZINC000000806687 371651002 /nfs/dbraw/zinc/65/10/02/371651002.db2.gz SNERFWSYHDYSKC-NSHDSACASA-N 1 0 250.317 2.639 50 0 CFAARO CC[NH+](CC)CCOC(=O)Nc1ccccc1OC ZINC000002171898 371718831 /nfs/dbraw/zinc/71/88/31/371718831.db2.gz CXZAHOBNYAMCEO-UHFFFAOYSA-N 1 0 266.341 2.586 50 0 CFAARO CC(C)(C)c1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000002380326 371723754 /nfs/dbraw/zinc/72/37/54/371723754.db2.gz QHOWYYMIZRKELF-UHFFFAOYSA-N 1 0 290.451 2.796 50 0 CFAARO CC[NH+](CC)CCCNC(=S)Nc1ccccc1 ZINC000002703215 371746564 /nfs/dbraw/zinc/74/65/64/371746564.db2.gz HYCYOGKGXROLTL-UHFFFAOYSA-N 1 0 265.426 2.705 50 0 CFAARO CCCC[N@H+](C)CCC(=O)Nc1ccccc1OC ZINC000002784678 371754122 /nfs/dbraw/zinc/75/41/22/371754122.db2.gz SBCHPPQWPRGNCZ-UHFFFAOYSA-N 1 0 264.369 2.756 50 0 CFAARO Cc1cc(OCCCCC[NH2+]CCO)ccc1Cl ZINC000002902554 371762494 /nfs/dbraw/zinc/76/24/94/371762494.db2.gz MUFDJLKLQJZGOM-UHFFFAOYSA-N 1 0 271.788 2.779 50 0 CFAARO CCCC(CCC)C(=O)NCC[NH+]1CCCCC1 ZINC000002921565 371765310 /nfs/dbraw/zinc/76/53/10/371765310.db2.gz MSQXEZKGJATZIQ-UHFFFAOYSA-N 1 0 254.418 2.805 50 0 CFAARO CCCC[NH2+]CCOCCOc1ccccc1C ZINC000002981065 371767075 /nfs/dbraw/zinc/76/70/75/371767075.db2.gz YQDNEQGHISQZHX-UHFFFAOYSA-N 1 0 251.370 2.780 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+]C2CCCC2)c(C)c1 ZINC000003105169 371772778 /nfs/dbraw/zinc/77/27/78/371772778.db2.gz HUBOWDYNTWPWJE-HNNXBMFYSA-N 1 0 263.381 2.575 50 0 CFAARO [NH3+]C[C@H](CC(=O)OCc1ccccc1)c1ccccc1 ZINC000003110078 371774550 /nfs/dbraw/zinc/77/45/50/371774550.db2.gz VUIARNKYBZPFBY-INIZCTEOSA-N 1 0 269.344 2.862 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000002582548 371741552 /nfs/dbraw/zinc/74/15/52/371741552.db2.gz LWNDERJMKXNISZ-SNVBAGLBSA-N 1 0 261.243 2.658 50 0 CFAARO CCCC[C@@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000004024164 371829258 /nfs/dbraw/zinc/82/92/58/371829258.db2.gz MFSWCCDKUKVJOD-SMDDNHRTSA-N 1 0 276.380 2.727 50 0 CFAARO CCCC[C@H]([NH2+]C)C(=O)Nc1ccc2c(c1)C[C@H](C)O2 ZINC000004024163 371829504 /nfs/dbraw/zinc/82/95/04/371829504.db2.gz MFSWCCDKUKVJOD-FZMZJTMJSA-N 1 0 276.380 2.727 50 0 CFAARO COc1ccc(C)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000003353266 371794857 /nfs/dbraw/zinc/79/48/57/371794857.db2.gz JEHTXULKSMUQRJ-UHFFFAOYSA-N 1 0 276.380 2.818 50 0 CFAARO CC[NH+](CC)CCC(=O)c1ccc(OC(C)=O)cc1 ZINC000003667576 371814006 /nfs/dbraw/zinc/81/40/06/371814006.db2.gz QCUFSLKNLQAWCR-UHFFFAOYSA-N 1 0 263.337 2.527 50 0 CFAARO COc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(OC)cc32)cc1 ZINC000003847480 371820518 /nfs/dbraw/zinc/82/05/18/371820518.db2.gz HIMHLENXDBHLCU-INIZCTEOSA-N 1 0 299.370 2.839 50 0 CFAARO CC[NH+](CC)CCOC(=O)c1cc2ccccc2o1 ZINC000004543655 371864115 /nfs/dbraw/zinc/86/41/15/371864115.db2.gz OYZSHHWPFCLAJD-UHFFFAOYSA-N 1 0 261.321 2.931 50 0 CFAARO CC1(C)CC(NC(=O)c2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000004675929 371871517 /nfs/dbraw/zinc/87/15/17/371871517.db2.gz BUDQQYOKKGWXOR-UHFFFAOYSA-N 1 0 278.371 2.865 50 0 CFAARO Cc1ccsc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004978358 371878389 /nfs/dbraw/zinc/87/83/89/371878389.db2.gz SIAQFVIRDNTJBR-UHFFFAOYSA-N 1 0 273.405 2.774 50 0 CFAARO CCOc1cc(C[NH2+]C2CC2)ccc1OC(F)F ZINC000004207338 371842441 /nfs/dbraw/zinc/84/24/41/371842441.db2.gz FNKYJIXUDWRHDJ-UHFFFAOYSA-N 1 0 257.280 2.939 50 0 CFAARO Cc1ccccc1CN1CC[N@@H+](C2CCC2)CCC1=O ZINC000011910895 371936000 /nfs/dbraw/zinc/93/60/00/371936000.db2.gz FLUJNCJFRHLMEQ-UHFFFAOYSA-N 1 0 272.392 2.582 50 0 CFAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCCC1 ZINC000010383831 371908617 /nfs/dbraw/zinc/90/86/17/371908617.db2.gz MKFUYMDRXRFKFH-AWDGRILASA-N 1 0 293.451 2.676 50 0 CFAARO C[C@@H]1C[C@@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)[N@@H+]1C ZINC000011680101 371925609 /nfs/dbraw/zinc/92/56/09/371925609.db2.gz QSAVEGSLJISCDF-YUELXQCFSA-N 1 0 291.391 2.525 50 0 in-man CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000011847292 371931151 /nfs/dbraw/zinc/93/11/51/371931151.db2.gz MELSFIGZWVYXNU-GDBMZVCRSA-N 1 0 277.408 2.775 50 0 CFAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000011879367 371933758 /nfs/dbraw/zinc/93/37/58/371933758.db2.gz ALCNIPUIUOWWPW-OAHLLOKOSA-N 1 0 289.419 2.871 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000012382497 371957439 /nfs/dbraw/zinc/95/74/39/371957439.db2.gz NWUZBUYSMMNXHR-UHFFFAOYSA-N 1 0 288.435 2.998 50 0 CFAARO COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000012383430 371958603 /nfs/dbraw/zinc/95/86/03/371958603.db2.gz NRQSMLWHXBQLBA-BBRMVZONSA-N 1 0 263.381 2.785 50 0 CFAARO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1 ZINC000012383431 371959232 /nfs/dbraw/zinc/95/92/32/371959232.db2.gz NRQSMLWHXBQLBA-CJNGLKHVSA-N 1 0 263.381 2.785 50 0 CFAARO CC(C)N1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC000012454882 371964389 /nfs/dbraw/zinc/96/43/89/371964389.db2.gz JROZQHGGGKIRHV-HNNXBMFYSA-N 1 0 278.371 2.705 50 0 CFAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](CC2CCCC2)C1 ZINC000012703613 371980464 /nfs/dbraw/zinc/98/04/64/371980464.db2.gz AIBXUOHFGCOFAN-KRWDZBQOSA-N 1 0 297.439 2.858 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000012791968 371987531 /nfs/dbraw/zinc/98/75/31/371987531.db2.gz IFVGGAPKVOVXCV-UHFFFAOYSA-N 1 0 298.770 2.785 50 0 CFAARO O=C1CC[N@H+](Cc2ccoc2)CCN1CC1CCCCC1 ZINC000012245227 371950175 /nfs/dbraw/zinc/95/01/75/371950175.db2.gz HGZLYSCAPJVHIF-UHFFFAOYSA-N 1 0 290.407 2.894 50 0 CFAARO COc1ccc(CC[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000012243860 371950479 /nfs/dbraw/zinc/95/04/79/371950479.db2.gz HGHJDDRQDDJMLV-AWEZNQCLSA-N 1 0 263.381 2.785 50 0 CFAARO O=C(C[NH+]1CCCCCC1)NC1CCCCCC1 ZINC000012343546 371952259 /nfs/dbraw/zinc/95/22/59/371952259.db2.gz DWEWOAJFSXOXBG-UHFFFAOYSA-N 1 0 252.402 2.701 50 0 CFAARO C[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000012381680 371956982 /nfs/dbraw/zinc/95/69/82/371956982.db2.gz WYKDYNOIOFZRDO-UHFFFAOYSA-N 1 0 274.408 2.808 50 0 CFAARO CCc1ccc(CCC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000013613208 372036209 /nfs/dbraw/zinc/03/62/09/372036209.db2.gz YLWXQIXFCQKUDR-UHFFFAOYSA-N 1 0 288.435 2.784 50 0 CFAARO CC(C)c1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000013727862 372044056 /nfs/dbraw/zinc/04/40/56/372044056.db2.gz FWXOBODVDGIIIL-UHFFFAOYSA-N 1 0 274.408 2.912 50 0 CFAARO OCCCCC[NH2+]Cc1ccc(Br)cc1 ZINC000013726825 372044524 /nfs/dbraw/zinc/04/45/24/372044524.db2.gz VTLLRBBAWXYDAH-UHFFFAOYSA-N 1 0 272.186 2.701 50 0 CFAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccccc1F)(C3)C2 ZINC000013729001 372045237 /nfs/dbraw/zinc/04/52/37/372045237.db2.gz ODCLLAXZMQVZGN-ZPVISIIKSA-N 1 0 275.367 2.999 50 0 CFAARO Clc1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000014193177 372061772 /nfs/dbraw/zinc/06/17/72/372061772.db2.gz CXAJTYLODUGJJN-UHFFFAOYSA-N 1 0 267.756 2.679 50 0 CFAARO Cc1ccc(/C=C/C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(C)c1 ZINC000237422314 189875834 /nfs/dbraw/zinc/87/58/34/189875834.db2.gz RTBZISGWUHSNFL-QFTYNREVSA-N 1 0 286.419 2.902 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000016602239 372111886 /nfs/dbraw/zinc/11/18/86/372111886.db2.gz VQGCDYCMDLRLDL-UHFFFAOYSA-N 1 0 260.381 2.599 50 0 CFAARO CCc1cc(C(=O)NC2CC[NH+](CC)CC2)cs1 ZINC000016602236 372111934 /nfs/dbraw/zinc/11/19/34/372111934.db2.gz SDUMTUDXRYLLGN-UHFFFAOYSA-N 1 0 266.410 2.525 50 0 CFAARO C[NH+]1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000016580140 372111937 /nfs/dbraw/zinc/11/19/37/372111937.db2.gz UFHFBQYKNKQGRC-UHFFFAOYSA-N 1 0 274.389 2.725 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2csc3c2CCCC3)CC1 ZINC000016602594 372111955 /nfs/dbraw/zinc/11/19/55/372111955.db2.gz VUAYXZYXSOWTOB-UHFFFAOYSA-N 1 0 292.448 2.841 50 0 CFAARO CC(C)=CCC[C@@H](C)CC[NH+]1CCC(C(N)=O)CC1 ZINC000016662650 372116456 /nfs/dbraw/zinc/11/64/56/372116456.db2.gz DVOASVJVXRISMV-CQSZACIVSA-N 1 0 266.429 2.956 50 0 CFAARO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccc(F)cc2)o1 ZINC000014200847 372063887 /nfs/dbraw/zinc/06/38/87/372063887.db2.gz CMKUDJDCCPOTJL-AWEZNQCLSA-N 1 0 293.338 2.599 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000014242312 372066422 /nfs/dbraw/zinc/06/64/22/372066422.db2.gz LSWMVNUKILGFOG-CKEIUWERSA-N 1 0 286.419 2.984 50 0 CFAARO C[NH+](C)CCCOc1ccc(N)c(C(F)(F)F)c1 ZINC000014630303 372070966 /nfs/dbraw/zinc/07/09/66/372070966.db2.gz OBIZVGDSBJAAHF-UHFFFAOYSA-N 1 0 262.275 2.618 50 0 CFAARO Brc1cccc(OCC2CC[NH2+]CC2)c1 ZINC000014631436 372072861 /nfs/dbraw/zinc/07/28/61/372072861.db2.gz RPJFQFJFHFOLHJ-UHFFFAOYSA-N 1 0 270.170 2.828 50 0 CFAARO c1cnn(CCC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000015071214 372078448 /nfs/dbraw/zinc/07/84/48/372078448.db2.gz VPKKREYOYBSJGW-KRWDZBQOSA-N 1 0 284.407 2.850 50 0 CFAARO COc1cccc(C[NH2+]Cc2ccc(NC(C)=O)cc2)c1 ZINC000017311875 372132954 /nfs/dbraw/zinc/13/29/54/372132954.db2.gz LVKBVQUSUPPYMG-UHFFFAOYSA-N 1 0 284.359 2.943 50 0 CFAARO CC(C)(C)OC(=O)N[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000019682500 372180126 /nfs/dbraw/zinc/18/01/26/372180126.db2.gz PIRAUBOLNUUZIV-NSHDSACASA-N 1 0 270.760 2.865 50 0 CFAARO Cc1cccc(COc2cccc(N3CC[NH2+]CC3)c2)c1 ZINC000019688533 372180590 /nfs/dbraw/zinc/18/05/90/372180590.db2.gz OTDVWZRDKMOFOR-UHFFFAOYSA-N 1 0 282.387 2.984 50 0 CFAARO COc1ccc(CN(CC[NH+](C)C)c2ccccn2)cc1 ZINC000019144216 372149508 /nfs/dbraw/zinc/14/95/08/372149508.db2.gz YECBIJXISLIIDS-UHFFFAOYSA-N 1 0 285.391 2.658 50 0 fda CFAARO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000019339732 372156548 /nfs/dbraw/zinc/15/65/48/372156548.db2.gz CEUHWYAQJMJVOF-QGZVFWFLSA-N 1 0 258.409 2.993 50 0 CFAARO C[C@@H]1CCC[C@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC000019496030 372168596 /nfs/dbraw/zinc/16/85/96/372168596.db2.gz GVLRXWWWGGUALN-WBVHZDCISA-N 1 0 273.424 2.778 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC000019496028 372168857 /nfs/dbraw/zinc/16/88/57/372168857.db2.gz GVLRXWWWGGUALN-NVXWUHKLSA-N 1 0 273.424 2.778 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019499946 372170725 /nfs/dbraw/zinc/17/07/25/372170725.db2.gz NJXHPFZFRCTUGC-ZDUSSCGKSA-N 1 0 250.361 2.742 50 0 CFAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000019733184 372182358 /nfs/dbraw/zinc/18/23/58/372182358.db2.gz ADHUQDYAHQDLPE-OAHLLOKOSA-N 1 0 299.374 2.576 50 0 CFAARO Clc1ccccc1OCCCC[NH+]1CCOCC1 ZINC000019607636 372177960 /nfs/dbraw/zinc/17/79/60/372177960.db2.gz DAPUFHFSUBJAEX-UHFFFAOYSA-N 1 0 269.772 2.831 50 0 CFAARO FC(F)(F)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000019963455 372215145 /nfs/dbraw/zinc/21/51/45/372215145.db2.gz FQKPHIWEYGYNHP-GFCCVEGCSA-N 1 0 259.271 2.974 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020090624 372228655 /nfs/dbraw/zinc/22/86/55/372228655.db2.gz MNUKUDDURBLEPI-JTQLQIEISA-N 1 0 285.322 2.846 50 0 CFAARO COCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019881274 372202489 /nfs/dbraw/zinc/20/24/89/372202489.db2.gz ZKBLMBNMPPHMDE-SECBINFHSA-N 1 0 258.159 2.746 50 0 CFAARO c1nc2ccccc2n1C[NH+]1CCN(c2ccccc2)CC1 ZINC000022227486 372244162 /nfs/dbraw/zinc/24/41/62/372244162.db2.gz SIRMNKTWMCFRFU-UHFFFAOYSA-N 1 0 292.386 2.816 50 0 CFAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000023127988 372252636 /nfs/dbraw/zinc/25/26/36/372252636.db2.gz FHAKNSFZVHWKKQ-UHFFFAOYSA-N 1 0 298.386 2.922 50 0 CFAARO OCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC000023114865 372252660 /nfs/dbraw/zinc/25/26/60/372252660.db2.gz IAKDYHYTSCPNSC-CYBMUJFWSA-N 1 0 255.308 2.702 50 0 CFAARO C1=CC[NH+](C2CCN(c3ccc(-c4cc[nH]n4)cc3)CC2)C1 ZINC000023429346 372260502 /nfs/dbraw/zinc/26/05/02/372260502.db2.gz BIFKEEDELYXQER-UHFFFAOYSA-N 1 0 294.402 2.917 50 0 CFAARO COc1cc2c(cc1O)[C@H](Cc1ccccc1)[N@H+](C)C[C@H]2O ZINC000024717712 372279500 /nfs/dbraw/zinc/27/95/00/372279500.db2.gz QVZIJKZJCCSTJP-DOTOQJQBSA-N 1 0 299.370 2.663 50 0 CFAARO C[C@@H](CNC(=O)C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025633599 372304838 /nfs/dbraw/zinc/30/48/38/372304838.db2.gz GQFSEPALNJRDRS-AWEZNQCLSA-N 1 0 286.419 2.740 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccco1)c1ccsc1 ZINC000025810415 372308999 /nfs/dbraw/zinc/30/89/99/372308999.db2.gz AYDBMAMTZXPBJS-GJBLVYBDSA-N 1 0 290.388 2.773 50 0 CFAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000025949809 372309958 /nfs/dbraw/zinc/30/99/58/372309958.db2.gz ZIZGAGKXFZKNOH-QGZVFWFLSA-N 1 0 295.386 2.727 50 0 CFAARO C[C@H]1C[NH+](Cc2cccc3cccnc32)C[C@H](C)O1 ZINC000026511596 372323128 /nfs/dbraw/zinc/32/31/28/372323128.db2.gz AMJBTRSQHMULBV-STQMWFEESA-N 1 0 256.349 2.844 50 0 CFAARO Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)nc12 ZINC000027134847 372334522 /nfs/dbraw/zinc/33/45/22/372334522.db2.gz YONKYZCDYQDJJR-ZDUSSCGKSA-N 1 0 287.407 2.869 50 0 CFAARO Cc1cccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000030363143 372392486 /nfs/dbraw/zinc/39/24/86/372392486.db2.gz SSPOLBZYEUMPOX-UHFFFAOYSA-N 1 0 294.398 2.783 50 0 CFAARO C[C@H](C[NH2+]Cc1c[nH]nc1-c1cccs1)N1CCCC1 ZINC000030902896 372401192 /nfs/dbraw/zinc/40/11/92/372401192.db2.gz WLUXHZCTMJCKFG-GFCCVEGCSA-N 1 0 290.436 2.712 50 0 CFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)C1CCCCC1 ZINC000031337959 372409115 /nfs/dbraw/zinc/40/91/15/372409115.db2.gz UASBHKKHLDKFLQ-UHFFFAOYSA-N 1 0 286.419 2.741 50 0 CFAARO CC[C@H](C)[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000032119660 372430379 /nfs/dbraw/zinc/43/03/79/372430379.db2.gz PLOMLGYSFVSGPV-RYUDHWBXSA-N 1 0 271.788 2.776 50 0 CFAARO CC[NH+](CC)C[C@H](C)OC(=O)COc1ccccc1C ZINC000032579634 372446382 /nfs/dbraw/zinc/44/63/82/372446382.db2.gz KTUHHSUCARJUNE-AWEZNQCLSA-N 1 0 279.380 2.647 50 0 CFAARO COc1cccc(OC[C@H](O)C[NH2+][C@@H](C)CC2(C)CC2)c1 ZINC000032590163 372447226 /nfs/dbraw/zinc/44/72/26/372447226.db2.gz KEDCLDWLRHMASR-UONOGXRCSA-N 1 0 293.407 2.603 50 0 CFAARO Cc1ccc2c(=O)n(CC[C@@H]3CCCC[N@H+]3C)cnc2c1C ZINC000032590439 372447973 /nfs/dbraw/zinc/44/79/73/372447973.db2.gz LCLFVXVAFCNWPS-HNNXBMFYSA-N 1 0 299.418 2.888 50 0 CFAARO CCCCCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000032616875 372450732 /nfs/dbraw/zinc/45/07/32/372450732.db2.gz PSEAXTRNUWAGFD-UHFFFAOYSA-N 1 0 275.396 2.547 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc2c(c1)CCCC2 ZINC000035055252 372534969 /nfs/dbraw/zinc/53/49/69/372534969.db2.gz RBKXDYYZRCZAQQ-SUMWQHHRSA-N 1 0 286.419 2.885 50 0 CFAARO Brc1cccc(-c2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000034973399 372522791 /nfs/dbraw/zinc/52/27/91/372522791.db2.gz QRVMIXXMRIFZKX-JTQLQIEISA-N 1 0 294.152 2.924 50 0 CFAARO CC[C@H](O)C[N@@H+](Cc1ccc(OC)c(OC)c1)CC(C)C ZINC000036095645 372557813 /nfs/dbraw/zinc/55/78/13/372557813.db2.gz ZSWCZBFZDGRFOZ-HNNXBMFYSA-N 1 0 295.423 2.933 50 0 CFAARO C[NH+](C)CC(C)(C)CNCc1cccc2c1OCCCO2 ZINC000036167644 372564741 /nfs/dbraw/zinc/56/47/41/372564741.db2.gz BGJXNSBHCJTEJV-UHFFFAOYSA-N 1 0 292.423 2.525 50 0 CFAARO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NC(C)C)cc1 ZINC000036391955 372576964 /nfs/dbraw/zinc/57/69/64/372576964.db2.gz DWPIGDHBSUDHDS-OAHLLOKOSA-N 1 0 260.381 2.657 50 0 CFAARO C[C@@H](Cc1cccs1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000037021033 372635179 /nfs/dbraw/zinc/63/51/79/372635179.db2.gz WBUJCBOUJCGIRH-WFASDCNBSA-N 1 0 288.416 2.885 50 0 CFAARO CCOc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000036874257 372604548 /nfs/dbraw/zinc/60/45/48/372604548.db2.gz SLEDJRDWAOWFKZ-UHFFFAOYSA-N 1 0 271.364 2.942 50 0 CFAARO Fc1ccccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037648226 372681876 /nfs/dbraw/zinc/68/18/76/372681876.db2.gz BBKQZUNLXXJWNF-LLVKDONJSA-N 1 0 290.304 2.800 50 0 CFAARO O[C@@H](C[NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000037856542 372726710 /nfs/dbraw/zinc/72/67/10/372726710.db2.gz LCVNAACIDJZOBJ-HNNXBMFYSA-N 1 0 263.287 2.788 50 0 CFAARO O[C@H](C[NH2+]Cc1ccc(F)cc1)c1ccccc1F ZINC000037862399 372728347 /nfs/dbraw/zinc/72/83/47/372728347.db2.gz YKBUWQVJFFGUKY-OAHLLOKOSA-N 1 0 263.287 2.788 50 0 CFAARO CC[NH+](CC)CCn1cc(NC2CCSCC2)cn1 ZINC000037786709 372709330 /nfs/dbraw/zinc/70/93/30/372709330.db2.gz LQILZGZLMGNTCZ-UHFFFAOYSA-N 1 0 282.457 2.532 50 0 CFAARO CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000038526002 372774735 /nfs/dbraw/zinc/77/47/35/372774735.db2.gz YPKLXEHKFHQREX-UHFFFAOYSA-N 1 0 258.287 2.847 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000040731054 372784416 /nfs/dbraw/zinc/78/44/16/372784416.db2.gz UDIKASCKNYYOML-LBPRGKRZSA-N 1 0 271.788 2.988 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000041028688 372804667 /nfs/dbraw/zinc/80/46/67/372804667.db2.gz NLEVRLDGJFDTPV-SECBINFHSA-N 1 0 273.163 2.557 50 0 CFAARO Cn1ccc(C[N@H+](C)[C@H]2CCCc3ccccc32)cc1=O ZINC000042112390 372874027 /nfs/dbraw/zinc/87/40/27/372874027.db2.gz NOCPDINMNJZVCU-KRWDZBQOSA-N 1 0 282.387 2.895 50 0 CFAARO C[C@@H]([NH2+]CCn1cccn1)c1ccc(F)cc1F ZINC000042538921 372934308 /nfs/dbraw/zinc/93/43/08/372934308.db2.gz CXUSLPCVHZSADQ-SNVBAGLBSA-N 1 0 251.280 2.512 50 0 CFAARO Fc1ccc(C[NH2+]CCn2cccn2)c(Br)c1 ZINC000042541079 372934832 /nfs/dbraw/zinc/93/48/32/372934832.db2.gz GSWUMKLLNOVLLJ-UHFFFAOYSA-N 1 0 298.159 2.575 50 0 CFAARO C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1cccs1 ZINC000043190199 372981096 /nfs/dbraw/zinc/98/10/96/372981096.db2.gz IMCUZGWEWOOBNS-GFCCVEGCSA-N 1 0 295.452 2.935 50 0 CFAARO CCc1cc(Br)ccc1O[C@@H]1CC[NH2+]C1 ZINC000042774395 372954915 /nfs/dbraw/zinc/95/49/15/372954915.db2.gz FFRVELDCNVEDRE-LLVKDONJSA-N 1 0 270.170 2.752 50 0 CFAARO CCN(CC)c1cccc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000042775599 372955816 /nfs/dbraw/zinc/95/58/16/372955816.db2.gz UUALKZXJXLFPTO-AWEZNQCLSA-N 1 0 262.397 2.911 50 0 CFAARO Nc1ccc(F)cc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000042783833 372956573 /nfs/dbraw/zinc/95/65/73/372956573.db2.gz XJXRFPRFLAMEJX-UHFFFAOYSA-N 1 0 299.393 2.726 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cccs2)C1 ZINC000047416334 373093993 /nfs/dbraw/zinc/09/39/93/373093993.db2.gz TZPFWNSZZLUTOD-STQMWFEESA-N 1 0 280.437 2.846 50 0 CFAARO NC(=O)c1cccc(C[N@H+](Cc2ccccc2)C2CC2)c1 ZINC000047461727 373096177 /nfs/dbraw/zinc/09/61/77/373096177.db2.gz WMEGRPRWQQRFQJ-UHFFFAOYSA-N 1 0 280.371 2.950 50 0 CFAARO CC1CC[NH+](CCNC(=O)c2c(F)cccc2Cl)CC1 ZINC000046955727 373073056 /nfs/dbraw/zinc/07/30/56/373073056.db2.gz SKAQNYDUIKNSBN-UHFFFAOYSA-N 1 0 298.789 2.941 50 0 CFAARO CC[NH+]1CCC(CNC(=O)/C=C/c2ccccc2F)CC1 ZINC000048276267 373159677 /nfs/dbraw/zinc/15/96/77/373159677.db2.gz HMUBHYKLXFHALQ-BQYQJAHWSA-N 1 0 290.382 2.687 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)OCC(F)(F)F)c1ccsc1 ZINC000048310036 373161078 /nfs/dbraw/zinc/16/10/78/373161078.db2.gz VAXMIQABVHULFE-VIFPVBQESA-N 1 0 296.314 2.639 50 0 CFAARO CCCC[N@@H+]1CCC[C@H](Cn2cc(CCC)nn2)C1 ZINC000048112454 373146537 /nfs/dbraw/zinc/14/65/37/373146537.db2.gz KPJDIXADNBWCHK-AWEZNQCLSA-N 1 0 264.417 2.743 50 0 CFAARO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048614553 373208301 /nfs/dbraw/zinc/20/83/01/373208301.db2.gz VFLYNYHINWGPMG-QLFBSQMISA-N 1 0 266.429 2.611 50 0 CFAARO Nc1cc(N)[nH+]c(SCc2cccc(OC(F)F)c2)n1 ZINC000050246967 373365450 /nfs/dbraw/zinc/36/54/50/373365450.db2.gz GBOJKYMELMJEDB-UHFFFAOYSA-N 1 0 298.318 2.535 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+]C[C@H]1CCC=CO1 ZINC000050267731 373365803 /nfs/dbraw/zinc/36/58/03/373365803.db2.gz VQVDAWHWTSUPGP-CQSZACIVSA-N 1 0 271.364 2.627 50 0 CFAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269006 373367274 /nfs/dbraw/zinc/36/72/74/373367274.db2.gz FARAVOIUSWVAMZ-BBRMVZONSA-N 1 0 261.365 2.996 50 0 CFAARO C[N@H+](Cc1nc(-c2cccnc2)no1)C(C1CC1)C1CC1 ZINC000051558042 373401348 /nfs/dbraw/zinc/40/13/48/373401348.db2.gz LTMAHFZDWMCRAV-UHFFFAOYSA-N 1 0 284.363 2.752 50 0 CFAARO CC(C)[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000052875229 373453315 /nfs/dbraw/zinc/45/33/15/373453315.db2.gz VBMRUUQOQDJNOY-UHFFFAOYSA-N 1 0 289.423 2.956 50 0 CFAARO Cc1cccc(C2(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000053055451 373462945 /nfs/dbraw/zinc/46/29/45/373462945.db2.gz YBMDOAUFRURFGB-IAGOWNOFSA-N 1 0 298.430 2.770 50 0 CFAARO Cc1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)n[nH]1 ZINC000057258800 373583692 /nfs/dbraw/zinc/58/36/92/373583692.db2.gz DVRGSCPADXFDOF-UHFFFAOYSA-N 1 0 284.363 2.566 50 0 CFAARO CC[C@@H](CO)[N@H+](CCc1ccccc1)Cc1ccccn1 ZINC000055071647 373540292 /nfs/dbraw/zinc/54/02/92/373540292.db2.gz DIRBIDHGGXCCAH-SFHVURJKSA-N 1 0 284.403 2.897 50 0 CFAARO CCCC[NH+](CCCC)CN1C(=O)CSC1=O ZINC000055112536 373541281 /nfs/dbraw/zinc/54/12/81/373541281.db2.gz AVJKVFBQJROVOI-UHFFFAOYSA-N 1 0 258.387 2.542 50 0 CFAARO CCCSc1ncc(CNCC[C@H]2CCC[N@@H+]2C)cn1 ZINC000055153016 373543992 /nfs/dbraw/zinc/54/39/92/373543992.db2.gz OYFZRRUBFMSANE-CQSZACIVSA-N 1 0 294.468 2.553 50 0 CFAARO CC[C@@H](C)Oc1ccc(C[NH2+]CCNC(C)=O)cc1Cl ZINC000055211352 373544545 /nfs/dbraw/zinc/54/45/45/373544545.db2.gz AZGDLHYGGGVKRS-LLVKDONJSA-N 1 0 298.814 2.743 50 0 CFAARO Clc1cccc(N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000055292638 373547629 /nfs/dbraw/zinc/54/76/29/373547629.db2.gz KQULOXWVNAHTMB-CQSZACIVSA-N 1 0 282.840 2.968 50 0 CFAARO CC[C@@H](CO)[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000055360188 373548599 /nfs/dbraw/zinc/54/85/99/373548599.db2.gz KWYKSTHJGPIJHR-SFHVURJKSA-N 1 0 284.403 2.897 50 0 CFAARO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(CO)o1 ZINC000055413643 373551822 /nfs/dbraw/zinc/55/18/22/373551822.db2.gz DZRSCJSDLFICRG-CYBMUJFWSA-N 1 0 295.404 2.607 50 0 CFAARO CC[C@H](CO)[N@H+](Cc1[nH]cnc1C)Cc1ccccc1C ZINC000055412979 373552473 /nfs/dbraw/zinc/55/24/73/373552473.db2.gz HJIPCIVFAUVIKE-MRXNPFEDSA-N 1 0 287.407 2.800 50 0 CFAARO C[C@@H](CNC(=O)c1cc2ccccc2o1)C[NH+]1CCCC1 ZINC000055538643 373556512 /nfs/dbraw/zinc/55/65/12/373556512.db2.gz KJJUKIFKLFEAAR-ZDUSSCGKSA-N 1 0 286.375 2.895 50 0 CFAARO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2nccn2C)c1 ZINC000058166272 373630089 /nfs/dbraw/zinc/63/00/89/373630089.db2.gz QYSOZZWCGSSYQN-OAHLLOKOSA-N 1 0 285.391 2.636 50 0 CFAARO Cc1nccn1-c1cc(C[NH2+]Cc2cccc(O)c2)ccn1 ZINC000058213885 373633822 /nfs/dbraw/zinc/63/38/22/373633822.db2.gz KYPYAXCEPDSNBO-UHFFFAOYSA-N 1 0 294.358 2.571 50 0 CFAARO CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058282535 373640330 /nfs/dbraw/zinc/64/03/30/373640330.db2.gz SHOVJMYDSPCPJM-HNNXBMFYSA-N 1 0 260.381 2.567 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)CCc2cccs2)cc1 ZINC000058283365 373640934 /nfs/dbraw/zinc/64/09/34/373640934.db2.gz KTNWKSSQNIDZHX-UHFFFAOYSA-N 1 0 288.416 2.782 50 0 CFAARO Cc1cc([C@H](C)[NH2+]C[C@H]2CNc3ccnn3C2)c(C)s1 ZINC000058327598 373646611 /nfs/dbraw/zinc/64/66/11/373646611.db2.gz HFMRDUNDVSBUKX-AAEUAGOBSA-N 1 0 290.436 2.954 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cc(F)ccc1F ZINC000058332932 373647038 /nfs/dbraw/zinc/64/70/38/373647038.db2.gz MJPKJVHVDUNVJQ-WDEREUQCSA-N 1 0 292.333 2.554 50 0 CFAARO COC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000058464963 373658852 /nfs/dbraw/zinc/65/88/52/373658852.db2.gz SHXMWAKPNVQVKF-UHFFFAOYSA-N 1 0 262.378 2.907 50 0 CFAARO COc1ccc(CCNC(=[NH2+])NCc2ccc(C)cc2)cc1 ZINC000057887617 373618934 /nfs/dbraw/zinc/61/89/34/373618934.db2.gz YUIHWNAMYWSVGM-UHFFFAOYSA-N 1 0 297.402 2.860 50 0 CFAARO CC[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000061193578 373713724 /nfs/dbraw/zinc/71/37/24/373713724.db2.gz NGFBXLNPNZGBOF-UHFFFAOYSA-N 1 0 250.317 2.639 50 0 CFAARO CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000060331402 373689929 /nfs/dbraw/zinc/68/99/29/373689929.db2.gz MDUBQLOKCNGFAL-UHFFFAOYSA-N 1 0 264.394 2.502 50 0 CFAARO COc1cc2c(cc1OC)C[N@H+](CCc1ccccn1)CC2 ZINC000060474119 373697779 /nfs/dbraw/zinc/69/77/79/373697779.db2.gz RTBCTDBLTZNGTC-UHFFFAOYSA-N 1 0 298.386 2.700 50 0 CFAARO COc1ccc([C@H](O)C[NH2+][C@@H](C)Cc2ccccc2)cc1 ZINC000062186440 373754115 /nfs/dbraw/zinc/75/41/15/373754115.db2.gz ZZFSETOETUSBIT-KBXCAEBGSA-N 1 0 285.387 2.949 50 0 CFAARO c1c2ccccc2oc1-c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000062256918 373757261 /nfs/dbraw/zinc/75/72/61/373757261.db2.gz SVIMJEBCEXJLGB-LLVKDONJSA-N 1 0 269.304 2.950 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000065522963 373881751 /nfs/dbraw/zinc/88/17/51/373881751.db2.gz SEBFOJGFKLCDEP-SXSDINLZSA-N 1 0 286.419 2.936 50 0 CFAARO Cc1ccnc(NC[C@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000065512357 373882501 /nfs/dbraw/zinc/88/25/01/373882501.db2.gz WEUHTPRKJWJTJB-MRXNPFEDSA-N 1 0 282.391 2.719 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000065543186 373887798 /nfs/dbraw/zinc/88/77/98/373887798.db2.gz HBYPSTZDDFLCQH-UHFFFAOYSA-N 1 0 298.390 2.525 50 0 CFAARO Cc1n[nH]c(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000065287290 373852444 /nfs/dbraw/zinc/85/24/44/373852444.db2.gz CYEIDIMSNHPOBJ-UHFFFAOYSA-N 1 0 262.382 2.554 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)s1 ZINC000065286706 373852533 /nfs/dbraw/zinc/85/25/33/373852533.db2.gz COJFNBIVIKXDRG-LBPRGKRZSA-N 1 0 276.409 2.863 50 0 CFAARO CCCC[C@H](O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065288679 373855455 /nfs/dbraw/zinc/85/54/55/373855455.db2.gz YXXZVRJROZCUCF-INIZCTEOSA-N 1 0 262.397 2.845 50 0 CFAARO Cc1nc([C@@H]2CCC[N@@H+](C)C2)n(-c2cccc(F)c2)n1 ZINC000065380708 373861036 /nfs/dbraw/zinc/86/10/36/373861036.db2.gz STNLELBYSAKUSD-GFCCVEGCSA-N 1 0 274.343 2.524 50 0 CFAARO Cc1cc(C)c(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)cc1C ZINC000065404038 373866454 /nfs/dbraw/zinc/86/64/54/373866454.db2.gz QTWVZMPPZSJBPH-AWEZNQCLSA-N 1 0 262.397 2.520 50 0 CFAARO CCc1cnc(C)nc1N(C)C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000065406810 373868797 /nfs/dbraw/zinc/86/87/97/373868797.db2.gz VWXFDTIFQXBQOX-CQSZACIVSA-N 1 0 276.428 2.514 50 0 CFAARO Cc1cc(NCc2cc(C(C)C)on2)nc(N(C)C)[nH+]1 ZINC000065425326 373870613 /nfs/dbraw/zinc/87/06/13/373870613.db2.gz ZFRYQKWRAPUROA-UHFFFAOYSA-N 1 0 275.356 2.575 50 0 CFAARO CO[C@H](C[NH2+]Cc1c(C)n[nH]c1C)c1ccccc1 ZINC000065488967 373877995 /nfs/dbraw/zinc/87/79/95/373877995.db2.gz OJWJBQZOAVEVJF-OAHLLOKOSA-N 1 0 259.353 2.504 50 0 CFAARO COc1ccc(C[NH2+]CCNc2ccccc2)cc1 ZINC000066183089 373919386 /nfs/dbraw/zinc/91/93/86/373919386.db2.gz MHMOSDACYNIZSV-UHFFFAOYSA-N 1 0 256.349 2.897 50 0 CFAARO COc1ccccc1-n1ccnc1C1CC[NH+](C)CC1 ZINC000067725594 373996159 /nfs/dbraw/zinc/99/61/59/373996159.db2.gz HUQKAEYBZNAXAD-UHFFFAOYSA-N 1 0 271.364 2.690 50 0 CFAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3sccc3[nH]2)C1 ZINC000067785394 374001956 /nfs/dbraw/zinc/00/19/56/374001956.db2.gz VKFRNMOEKYYDAG-LLVKDONJSA-N 1 0 291.420 2.691 50 0 CFAARO CCCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000067783658 374002675 /nfs/dbraw/zinc/00/26/75/374002675.db2.gz OPPYCYCTGWSONI-AWEZNQCLSA-N 1 0 290.407 2.547 50 0 CFAARO Cc1ccc(-c2ccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)o2)cc1 ZINC000067885187 374012168 /nfs/dbraw/zinc/01/21/68/374012168.db2.gz MUMZJRDBUNKYCR-CQSZACIVSA-N 1 0 298.386 2.937 50 0 CFAARO c1cc(-c2noc3c2C[N@H+](CC2CC2)CC3)cc2c1OCO2 ZINC000067920637 374016212 /nfs/dbraw/zinc/01/62/12/374016212.db2.gz SPBPCHQJTFPHCP-UHFFFAOYSA-N 1 0 298.342 2.838 50 0 CFAARO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1CCCCC1 ZINC000067983036 374020060 /nfs/dbraw/zinc/02/00/60/374020060.db2.gz QMIMYVAKGDNFMH-OAHLLOKOSA-N 1 0 278.440 2.805 50 0 CFAARO C[N@H+](CCC1(O)CCCC1)Cc1ccc(-n2ccnc2)cc1 ZINC000067983037 374020388 /nfs/dbraw/zinc/02/03/88/374020388.db2.gz QZBSETDSLOSAMX-UHFFFAOYSA-N 1 0 299.418 2.999 50 0 CFAARO CCOCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000067231169 373973635 /nfs/dbraw/zinc/97/36/35/373973635.db2.gz LSJYDGDEDWGJMD-AWEZNQCLSA-N 1 0 277.364 2.631 50 0 CFAARO CCc1ccc(-c2nccn2CCCn2ccnc2)nc1 ZINC000067446773 373978111 /nfs/dbraw/zinc/97/81/11/373978111.db2.gz COVGZXJBDGWAPM-UHFFFAOYSA-N 1 0 281.363 2.794 50 0 CFAARO Cc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)c(C)n1 ZINC000067688629 373992103 /nfs/dbraw/zinc/99/21/03/373992103.db2.gz AYTIWFUHDDSVPZ-CYBMUJFWSA-N 1 0 254.333 2.628 50 0 CFAARO C=Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000067690570 373992181 /nfs/dbraw/zinc/99/21/81/373992181.db2.gz CLEZHQATEZTUMV-HNNXBMFYSA-N 1 0 272.392 2.791 50 0 CFAARO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]CC1=CCCCC1 ZINC000067676146 373992528 /nfs/dbraw/zinc/99/25/28/373992528.db2.gz JBUCUSMLCXTWEG-AWEZNQCLSA-N 1 0 297.402 2.875 50 0 CFAARO Cc1ccoc1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000067696038 373993798 /nfs/dbraw/zinc/99/37/98/373993798.db2.gz XRKYIWZHHHBCJE-UHFFFAOYSA-N 1 0 299.374 2.644 50 0 CFAARO CCCCO[C@@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000068541301 374031936 /nfs/dbraw/zinc/03/19/36/374031936.db2.gz DYSFQLXGFNIKSX-AWEZNQCLSA-N 1 0 292.423 2.570 50 0 CFAARO Cc1oc(-c2ccco2)nc1C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000069629595 374080647 /nfs/dbraw/zinc/08/06/47/374080647.db2.gz MVQPFYDZQQBHMD-RISCZKNCSA-N 1 0 290.363 2.978 50 0 CFAARO COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cccn2)c1 ZINC000069629900 374080757 /nfs/dbraw/zinc/08/07/57/374080757.db2.gz BTVPTPOERREMAG-HNNXBMFYSA-N 1 0 271.364 2.556 50 0 CFAARO CS[C@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069632994 374080892 /nfs/dbraw/zinc/08/08/92/374080892.db2.gz KBUJMPVQBSTYGX-TZMCWYRMSA-N 1 0 279.405 2.556 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)[C@@H](C)n1cccn1 ZINC000069349722 374055946 /nfs/dbraw/zinc/05/59/46/374055946.db2.gz BGSKIYDTVOUFFD-HUUCEWRRSA-N 1 0 295.390 2.808 50 0 CFAARO Clc1ccccc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000069420188 374062483 /nfs/dbraw/zinc/06/24/83/374062483.db2.gz NCOGKCXHTUOPRN-CYBMUJFWSA-N 1 0 281.783 2.925 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)o1 ZINC000069455518 374065442 /nfs/dbraw/zinc/06/54/42/374065442.db2.gz RCZGJLQXXAMNCH-KBPBESRZSA-N 1 0 276.380 2.541 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000069454110 374065575 /nfs/dbraw/zinc/06/55/75/374065575.db2.gz ATKQSPUFMOGDKV-OCCSQVGLSA-N 1 0 258.369 2.634 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000069454115 374066371 /nfs/dbraw/zinc/06/63/71/374066371.db2.gz ATKQSPUFMOGDKV-GXTWGEPZSA-N 1 0 258.369 2.634 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(C)s1 ZINC000069491723 374068597 /nfs/dbraw/zinc/06/85/97/374068597.db2.gz MDALECPGBHVTDH-OLZOCXBDSA-N 1 0 293.436 2.540 50 0 CFAARO CCn1nc(C)c(C[NH2+][C@H](C)[C@@H](C)n2cc(C)cn2)c1C ZINC000069511621 374070093 /nfs/dbraw/zinc/07/00/93/374070093.db2.gz JRGJRRPPLOPTEZ-TZMCWYRMSA-N 1 0 289.427 2.764 50 0 CFAARO CCOC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000069517101 374070213 /nfs/dbraw/zinc/07/02/13/374070213.db2.gz GBBUUSXNHWXLBS-UHFFFAOYSA-N 1 0 285.391 2.873 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000069530537 374072970 /nfs/dbraw/zinc/07/29/70/374072970.db2.gz XTABLQRJHUKUMH-CQSZACIVSA-N 1 0 292.398 2.874 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2csc(C)n2)c1 ZINC000069560287 374075138 /nfs/dbraw/zinc/07/51/38/374075138.db2.gz FUHAIOKKQOZGKK-WDEREUQCSA-N 1 0 264.398 2.696 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CCc2ccncc2)n1 ZINC000069920706 374109672 /nfs/dbraw/zinc/10/96/72/374109672.db2.gz WJZMXNMLQARXMN-QGZVFWFLSA-N 1 0 284.407 2.602 50 0 CFAARO CCOCCN1CC[N@H+](CCc2cccs2)C[C@H]1CC ZINC000070008498 374114849 /nfs/dbraw/zinc/11/48/49/374114849.db2.gz FSOOLDVSJWOUIP-OAHLLOKOSA-N 1 0 296.480 2.723 50 0 CFAARO Cc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069667698 374084989 /nfs/dbraw/zinc/08/49/89/374084989.db2.gz IOVKTXOJMHETEC-QWHCGFSZSA-N 1 0 278.421 2.755 50 0 CFAARO Cc1ncc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)s1 ZINC000069744012 374094023 /nfs/dbraw/zinc/09/40/23/374094023.db2.gz ANXUBOMBFNHWJG-ZDUSSCGKSA-N 1 0 276.409 2.703 50 0 CFAARO CCc1nc2n(n1)C[C@@H]([NH2+]C/C(C)=C/c1ccccc1)CC2 ZINC000069810498 374100724 /nfs/dbraw/zinc/10/07/24/374100724.db2.gz TZROXSWCUSZXKA-UKYUDJEDSA-N 1 0 296.418 2.848 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c1 ZINC000069818297 374102031 /nfs/dbraw/zinc/10/20/31/374102031.db2.gz SUTGPXWJDWWWHH-KGLIPLIRSA-N 1 0 289.427 2.882 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)c2cc3ccc(C)cc3[nH]2)CC1 ZINC000069817254 374103264 /nfs/dbraw/zinc/10/32/64/374103264.db2.gz LXGNMUJGSBKDCS-UHFFFAOYSA-N 1 0 285.391 2.644 50 0 CFAARO CCOCCN1CC[N@H+](CC2CCCC2)C[C@@H]1CC ZINC000069844742 374104475 /nfs/dbraw/zinc/10/44/75/374104475.db2.gz NWTMRJMFNMALCO-INIZCTEOSA-N 1 0 268.445 2.609 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000070172207 374137107 /nfs/dbraw/zinc/13/71/07/374137107.db2.gz LQXMNYQSVQNRKF-JGVFFNPUSA-N 1 0 290.194 2.521 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000070173062 374139474 /nfs/dbraw/zinc/13/94/74/374139474.db2.gz ZAPSCTNNCKRANX-WDEREUQCSA-N 1 0 298.789 2.607 50 0 CFAARO CCc1ccsc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070176305 374141027 /nfs/dbraw/zinc/14/10/27/374141027.db2.gz ZSYSSWHBCQUKMZ-ZYHUDNBSSA-N 1 0 266.410 2.510 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c(OC)c1 ZINC000070327998 374166055 /nfs/dbraw/zinc/16/60/55/374166055.db2.gz SZSWWPXNLYBMPL-KBPBESRZSA-N 1 0 279.380 2.751 50 0 CFAARO CC[C@@H](COC)[NH2+]Cc1ccc(Br)cc1 ZINC000070656234 374200934 /nfs/dbraw/zinc/20/09/34/374200934.db2.gz QXXVVIIORXSBES-LBPRGKRZSA-N 1 0 272.186 2.964 50 0 CFAARO C(=C/c1ccccc1)\C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000071924541 374232058 /nfs/dbraw/zinc/23/20/58/374232058.db2.gz YAROAQNEGIDHHD-XBXARRHUSA-N 1 0 294.402 2.748 50 0 CFAARO c1ccc(C2([NH2+]CCN3CCOCC3)CCCCC2)cc1 ZINC000071771243 374221573 /nfs/dbraw/zinc/22/15/73/374221573.db2.gz YSOSHZXESFIWAV-UHFFFAOYSA-N 1 0 288.435 2.768 50 0 CFAARO Cc1ccc2ccc(C[C@H](O)C[NH2+]C(C)(C)C)nc2c1 ZINC000071771768 374221808 /nfs/dbraw/zinc/22/18/08/374221808.db2.gz PFJIJCSFGZGVOK-HNNXBMFYSA-N 1 0 272.392 2.835 50 0 CFAARO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1F ZINC000071772305 374223972 /nfs/dbraw/zinc/22/39/72/374223972.db2.gz CVKDNKBOYVSFRO-ZDUSSCGKSA-N 1 0 290.382 2.963 50 0 CFAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nccc(C2CCCC2)n1 ZINC000071775499 374224165 /nfs/dbraw/zinc/22/41/65/374224165.db2.gz KGUJUBJPYYASRA-CABCVRRESA-N 1 0 286.423 2.807 50 0 CFAARO COc1ccccc1-c1cc(C2CC[NH2+]CC2)[nH]n1 ZINC000072417409 374249756 /nfs/dbraw/zinc/24/97/56/374249756.db2.gz SYQLMGJXANGFAN-UHFFFAOYSA-N 1 0 257.337 2.552 50 0 CFAARO Cc1cc2nc(C(C)C)cc(NCC[NH+]3CCCC3)n2n1 ZINC000072419618 374249863 /nfs/dbraw/zinc/24/98/63/374249863.db2.gz WKLWNQVZRDYBAH-UHFFFAOYSA-N 1 0 287.411 2.669 50 0 CFAARO Cc1nn2c(nc(C)cc2NCc2ccc(C[NH3+])cc2)c1C ZINC000072458379 374253595 /nfs/dbraw/zinc/25/35/95/374253595.db2.gz LMPMLDPSUVOGEM-UHFFFAOYSA-N 1 0 295.390 2.725 50 0 CFAARO Cn1ncc(CN2CCCC[C@@H]2CC[NH+](C)C)c1C1CC1 ZINC000072469527 374255454 /nfs/dbraw/zinc/25/54/54/374255454.db2.gz IEMQUNOPRICKRA-MRXNPFEDSA-N 1 0 290.455 2.604 50 0 CFAARO C[C@H](CN1CC2(CC[NH+](C)CC2)OC1=O)c1ccccc1 ZINC000072479447 374256039 /nfs/dbraw/zinc/25/60/39/374256039.db2.gz HQUUFBWPUDNFQA-CQSZACIVSA-N 1 0 288.391 2.707 50 0 CFAARO Clc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc2[nH]ccc21 ZINC000072122410 374233477 /nfs/dbraw/zinc/23/34/77/374233477.db2.gz BHQGOEHACDRTQK-LLVKDONJSA-N 1 0 290.798 2.891 50 0 CFAARO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2[C@@H](C)c2cccnc2)n1 ZINC000072253264 374237860 /nfs/dbraw/zinc/23/78/60/374237860.db2.gz ADJDLQBEQVLNMY-LRDDRELGSA-N 1 0 285.395 2.516 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000072269803 374238361 /nfs/dbraw/zinc/23/83/61/374238361.db2.gz NCNIBYBIVMMVSL-RYUDHWBXSA-N 1 0 289.408 2.640 50 0 CFAARO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)[C@H](C)n1cccn1 ZINC000072269763 374238409 /nfs/dbraw/zinc/23/84/09/374238409.db2.gz ACCOJWLLJZYNBQ-GJZGRUSLSA-N 1 0 295.390 2.808 50 0 CFAARO C[C@H](NC(=O)CO[C@H]1CCCC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000075092619 374455868 /nfs/dbraw/zinc/45/58/68/374455868.db2.gz RSQLURIBEIQBKP-ILXRZTDVSA-N 1 0 298.471 2.674 50 0 CFAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000075133081 374459548 /nfs/dbraw/zinc/45/95/48/374459548.db2.gz RNIIPFRRINJLNX-MRXNPFEDSA-N 1 0 284.407 2.812 50 0 CFAARO NC(=O)c1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000075126853 374459835 /nfs/dbraw/zinc/45/98/35/374459835.db2.gz WPVVQMYLNHBDRH-WEVVVXLNSA-N 1 0 266.344 2.589 50 0 CFAARO C[N@@H+]1CCCc2c(c3ccccc3n2-c2cncnc2)C1 ZINC000075567375 374494241 /nfs/dbraw/zinc/49/42/41/374494241.db2.gz VGUBQTYDOKACKE-UHFFFAOYSA-N 1 0 278.359 2.799 50 0 CFAARO CC[C@@H](C)NC(=O)CC[NH2+]CC1CCCCCC1 ZINC000076042757 374524324 /nfs/dbraw/zinc/52/43/24/374524324.db2.gz MQJGEBOPWTWWQL-CYBMUJFWSA-N 1 0 254.418 2.851 50 0 CFAARO CC(C)NC(=O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000078947809 374577314 /nfs/dbraw/zinc/57/73/14/374577314.db2.gz DBIHKCFONIKANW-AWEZNQCLSA-N 1 0 292.448 2.625 50 0 CFAARO C(=C/c1ccccc1)\C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083442853 374745953 /nfs/dbraw/zinc/74/59/53/374745953.db2.gz JTMCJYCXDNVRKE-QPJJXVBHSA-N 1 0 268.364 2.698 50 0 CFAARO Cc1nn(C)c2ncc(C[NH+]3CCCCCC3)cc12 ZINC000084067801 374763019 /nfs/dbraw/zinc/76/30/19/374763019.db2.gz CJOFNTQRCBKRKW-UHFFFAOYSA-N 1 0 258.369 2.653 50 0 CFAARO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc(F)c1 ZINC000083704387 374753891 /nfs/dbraw/zinc/75/38/91/374753891.db2.gz KGQDKQBTTVUIMI-CZUORRHYSA-N 1 0 262.372 2.884 50 0 CFAARO C[C@H]([NH3+])CCc1ccc(I)cc1 ZINC000083849871 374757196 /nfs/dbraw/zinc/75/71/96/374757196.db2.gz LHYSUCZCJVTCKF-QMMMGPOBSA-N 1 0 275.133 2.571 50 0 CFAARO COc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082133852 374728708 /nfs/dbraw/zinc/72/87/08/374728708.db2.gz DQFNMTJMDUTZFN-OAHLLOKOSA-N 1 0 291.391 2.513 50 0 CFAARO C[C@@](O)(COc1ccccc1)[NH2+]Cc1ccccc1 ZINC000087489362 374824056 /nfs/dbraw/zinc/82/40/56/374824056.db2.gz TZROMNDVUPWEQN-MRXNPFEDSA-N 1 0 257.333 2.564 50 0 CFAARO CC(C)=CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084251605 374772697 /nfs/dbraw/zinc/77/26/97/374772697.db2.gz APRWFVJHDPMHNY-UHFFFAOYSA-N 1 0 266.410 2.605 50 0 CFAARO c1ccc(OCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000084556831 374781995 /nfs/dbraw/zinc/78/19/95/374781995.db2.gz NQCQSUFEBHVVPU-QGZVFWFLSA-N 1 0 284.359 2.614 50 0 CFAARO O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000084615241 374782872 /nfs/dbraw/zinc/78/28/72/374782872.db2.gz BPZXEFRJVIZNSD-SJORKVTESA-N 1 0 291.439 2.679 50 0 CFAARO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000088519720 374848941 /nfs/dbraw/zinc/84/89/41/374848941.db2.gz YNODHIQYWCWQLK-QWHCGFSZSA-N 1 0 254.418 2.802 50 0 CFAARO CCn1cc(C[NH2+]C[C@H]2C[C@]23CCc2ccccc23)cn1 ZINC000088745147 374860954 /nfs/dbraw/zinc/86/09/54/374860954.db2.gz VVMCGBRUSKBLCD-SJLPKXTDSA-N 1 0 281.403 2.897 50 0 CFAARO OCc1ccc(C[NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)o1 ZINC000088745154 374862380 /nfs/dbraw/zinc/86/23/80/374862380.db2.gz GJIMEHIKKVAMKT-KSSFIOAISA-N 1 0 283.371 2.766 50 0 CFAARO Cc1noc(CC[NH2+][C@H](C)c2sccc2C)n1 ZINC000089518659 374918429 /nfs/dbraw/zinc/91/84/29/374918429.db2.gz XJAQQOGRQQZMJX-SECBINFHSA-N 1 0 251.355 2.641 50 0 CFAARO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)c(C)n1 ZINC000089614922 374929928 /nfs/dbraw/zinc/92/99/28/374929928.db2.gz IEPBTOKNMOPYOC-DGCLKSJQSA-N 1 0 298.390 2.771 50 0 CFAARO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000089893070 374964893 /nfs/dbraw/zinc/96/48/93/374964893.db2.gz QNTPKGBPNCLZIX-CQSZACIVSA-N 1 0 292.379 2.600 50 0 CFAARO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1nc2ccc(F)cc2o1 ZINC000089942042 374974624 /nfs/dbraw/zinc/97/46/24/374974624.db2.gz YNBCRIGSZAFCJL-HNNXBMFYSA-N 1 0 294.326 2.788 50 0 CFAARO CC1(C)C[C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)C(C)(C)O1 ZINC000090801740 375030281 /nfs/dbraw/zinc/03/02/81/375030281.db2.gz PJGYASRRFIRTFZ-KBPBESRZSA-N 1 0 289.423 2.596 50 0 CFAARO Cc1n[nH]c(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n1 ZINC000092736983 375145605 /nfs/dbraw/zinc/14/56/05/375145605.db2.gz IIOACDHFPHBSHY-UHFFFAOYSA-N 1 0 295.390 2.974 50 0 CFAARO Cc1ccc(O)c(C[N@@H+](C)[C@H](CCO)c2ccccc2)n1 ZINC000093442405 375238598 /nfs/dbraw/zinc/23/85/98/375238598.db2.gz XAQKQRQJZFAHJK-MRXNPFEDSA-N 1 0 286.375 2.651 50 0 CFAARO CN(CCc1cccs1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000093289434 375204140 /nfs/dbraw/zinc/20/41/40/375204140.db2.gz WTSSQRQHCIHIQV-OAHLLOKOSA-N 1 0 288.416 2.839 50 0 CFAARO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611038 375275176 /nfs/dbraw/zinc/27/51/76/375275176.db2.gz PMYFAPUPXBFQFA-UONOGXRCSA-N 1 0 263.385 2.579 50 0 CFAARO COc1ccc2c(c1)OC[C@@H](Cc1ccc(N)[nH+]c1C)C2 ZINC000095499424 375461224 /nfs/dbraw/zinc/46/12/24/375461224.db2.gz ZPHUHIZAMBVESK-LBPRGKRZSA-N 1 0 284.359 2.775 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000095988285 375464469 /nfs/dbraw/zinc/46/44/69/375464469.db2.gz UMXCCXSXAGKWHK-HOCLYGCPSA-N 1 0 279.428 2.592 50 0 CFAARO Cc1c[nH+]ccc1NCCNc1cc(C(C)C)ncn1 ZINC000095359477 375419923 /nfs/dbraw/zinc/41/99/23/375419923.db2.gz HRIAIDZNZIKRRX-UHFFFAOYSA-N 1 0 271.368 2.827 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCn1sc2ccccc2c1=O ZINC000095367734 375421076 /nfs/dbraw/zinc/42/10/76/375421076.db2.gz NCZJNUUEPTZSLN-LBPRGKRZSA-N 1 0 276.405 2.937 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCOC1)CC2 ZINC000095366564 375421619 /nfs/dbraw/zinc/42/16/19/375421619.db2.gz POIYVOXQZMNEAJ-CQSZACIVSA-N 1 0 275.392 2.522 50 0 CFAARO c1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)nc1 ZINC000095375405 375425670 /nfs/dbraw/zinc/42/56/70/375425670.db2.gz XYLQTHBEWCDFOD-FUHWJXTLSA-N 1 0 285.435 2.778 50 0 CFAARO Cc1noc(C)c1CN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095380966 375426403 /nfs/dbraw/zinc/42/64/03/375426403.db2.gz RZRROJQLWXVBGX-CQSZACIVSA-N 1 0 293.411 2.514 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCn1cccc(C(F)(F)F)c1=O ZINC000095391046 375429174 /nfs/dbraw/zinc/42/91/74/375429174.db2.gz BCVVSVMFBCZTSE-LLVKDONJSA-N 1 0 288.313 2.742 50 0 CFAARO C[C@H](CCn1cncn1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415540 375437656 /nfs/dbraw/zinc/43/76/56/375437656.db2.gz XRAKOPMSRZVSQW-LLVKDONJSA-N 1 0 291.424 2.571 50 0 CFAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000095421207 375440137 /nfs/dbraw/zinc/44/01/37/375440137.db2.gz KKKMTANBOGKWRZ-WDEREUQCSA-N 1 0 294.786 2.679 50 0 CFAARO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCn1cccn1 ZINC000095419814 375440567 /nfs/dbraw/zinc/44/05/67/375440567.db2.gz BMJDKTJTGKRCAI-CQSZACIVSA-N 1 0 273.380 2.941 50 0 CFAARO c1ccc2c(c1)CC[C@H]2[NH2+]CCOc1cccnc1 ZINC000095422453 375440603 /nfs/dbraw/zinc/44/06/03/375440603.db2.gz OZKWWPSEBNGTBS-MRXNPFEDSA-N 1 0 254.333 2.738 50 0 CFAARO C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(-n2ccnc2)cc1 ZINC000095420550 375441306 /nfs/dbraw/zinc/44/13/06/375441306.db2.gz UQYILAFGXZGSKJ-KSSFIOAISA-N 1 0 298.434 2.863 50 0 CFAARO COC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2C)CC1 ZINC000095420824 375441360 /nfs/dbraw/zinc/44/13/60/375441360.db2.gz XJBGJKQROHXUNK-CQSZACIVSA-N 1 0 290.407 2.746 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000095423884 375441874 /nfs/dbraw/zinc/44/18/74/375441874.db2.gz LKNXMXOIHJXBOS-JSGCOSHPSA-N 1 0 290.432 2.824 50 0 CFAARO C[C@@H](CCSc1ccccc1)[N@@H+]1CC[C@H](CO)C1 ZINC000095430713 375445331 /nfs/dbraw/zinc/44/53/31/375445331.db2.gz QOOUGLHYKBEGKC-KBPBESRZSA-N 1 0 265.422 2.872 50 0 CFAARO CSCc1noc(CC2CC[NH+](C(C)C)CC2)n1 ZINC000096162144 375472322 /nfs/dbraw/zinc/47/23/22/375472322.db2.gz GZESFVMNHXEQAV-UHFFFAOYSA-N 1 0 269.414 2.596 50 0 CFAARO Cc1c(Cl)ccc(NC(=O)N2CC[C@H]([NH3+])C2)c1Cl ZINC000096162117 375472364 /nfs/dbraw/zinc/47/23/64/375472364.db2.gz XOQXWRALDQIYPY-QMMMGPOBSA-N 1 0 288.178 2.867 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@H](C)C[C@H](O)c1cccs1 ZINC000095448928 375454046 /nfs/dbraw/zinc/45/40/46/375454046.db2.gz UNSCPEMUDCKODQ-RNCFNFMXSA-N 1 0 280.393 2.955 50 0 CFAARO CC(C)C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC(C)(C)C ZINC000095452730 375454939 /nfs/dbraw/zinc/45/49/39/375454939.db2.gz NVKCELXQVXLEHX-AWEZNQCLSA-N 1 0 283.460 2.985 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(COC(C)C)cc1 ZINC000097159621 375533044 /nfs/dbraw/zinc/53/30/44/375533044.db2.gz XISNFRIOJASOME-UHFFFAOYSA-N 1 0 273.380 2.933 50 0 CFAARO O[C@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200607 375536998 /nfs/dbraw/zinc/53/69/98/375536998.db2.gz JNOIPYNYOJXYSP-NVXWUHKLSA-N 1 0 297.402 2.549 50 0 CFAARO Cc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c(F)c1 ZINC000097228984 375541573 /nfs/dbraw/zinc/54/15/73/375541573.db2.gz OGSSXSNPIYPUDW-AWEZNQCLSA-N 1 0 266.360 2.580 50 0 CFAARO CC(C)[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 ZINC000097228272 375542324 /nfs/dbraw/zinc/54/23/24/375542324.db2.gz OWWXSFZQEKSSGI-DGCLKSJQSA-N 1 0 278.362 2.895 50 0 CFAARO C[C@H]1OCC[C@H]1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000097038509 375498905 /nfs/dbraw/zinc/49/89/05/375498905.db2.gz AVASIWACPVZONV-RHSMWYFYSA-N 1 0 274.408 2.914 50 0 CFAARO Cc1cc2cc(NC(=O)N3CCC[N@@H+](C)CC3)ccc2[nH]1 ZINC000097052073 375504574 /nfs/dbraw/zinc/50/45/74/375504574.db2.gz DGNLQTIHEFQJAE-UHFFFAOYSA-N 1 0 286.379 2.646 50 0 CFAARO COC(=O)c1ccc(Cl)c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000097080413 375509175 /nfs/dbraw/zinc/50/91/75/375509175.db2.gz YPTIPGPMGAZSPO-NSHDSACASA-N 1 0 297.782 2.595 50 0 CFAARO CCNc1ccc(Cl)cc1NC(=O)CC[NH+](C)C ZINC000097233769 375544129 /nfs/dbraw/zinc/54/41/29/375544129.db2.gz AHKBXKGYHUJLEJ-UHFFFAOYSA-N 1 0 269.776 2.662 50 0 CFAARO NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000097084835 375511956 /nfs/dbraw/zinc/51/19/56/375511956.db2.gz QAIHLFLTTUAXGV-KNLHSXBVSA-N 1 0 290.382 2.705 50 0 CFAARO Cc1[nH+]c2ccccc2c(N2CCC(CC(N)=O)CC2)c1C ZINC000097085919 375513530 /nfs/dbraw/zinc/51/35/30/375513530.db2.gz YVVFONNIIMPRBY-UHFFFAOYSA-N 1 0 297.402 2.943 50 0 CFAARO CNC(=O)[C@H]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000097085952 375513876 /nfs/dbraw/zinc/51/38/76/375513876.db2.gz WTJJLWFOCOXCOK-AWEZNQCLSA-N 1 0 297.402 2.814 50 0 CFAARO CC(=O)Nc1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC000097113788 375524213 /nfs/dbraw/zinc/52/42/13/375524213.db2.gz JBRYAUGIFWFRIM-UHFFFAOYSA-N 1 0 283.375 2.715 50 0 CFAARO CC(=O)Nc1ccccc1C[N@@H+]1CCCSCC1 ZINC000097113625 375524250 /nfs/dbraw/zinc/52/42/50/375524250.db2.gz APJRXRACOKYHCJ-UHFFFAOYSA-N 1 0 264.394 2.584 50 0 CFAARO COc1ccc(OC)c2c1C[N@H+](CCC(C)C)C[C@@H]2O ZINC000097133570 375526006 /nfs/dbraw/zinc/52/60/06/375526006.db2.gz GNRWDQGYYWFQMB-ZDUSSCGKSA-N 1 0 279.380 2.599 50 0 CFAARO Oc1cccc(F)c1N1CCN(Cc2ccccc2)CC1 ZINC000097848819 375586709 /nfs/dbraw/zinc/58/67/09/375586709.db2.gz YAJIVTAGOIDDAP-UHFFFAOYSA-N 1 0 286.350 2.854 50 0 CFAARO C[C@H](c1ccc(-c2cc(N(C)C)ncn2)cc1)[NH+](C)C ZINC000097307806 375548968 /nfs/dbraw/zinc/54/89/68/375548968.db2.gz VPRYATVEKIJAHU-GFCCVEGCSA-N 1 0 270.380 2.832 50 0 CFAARO O=C1OCC2(CC[NH+](C/C=C/c3ccc(F)cc3)CC2)O1 ZINC000097370384 375552426 /nfs/dbraw/zinc/55/24/26/375552426.db2.gz SGFRURYNIFJKNM-OWOJBTEDSA-N 1 0 291.322 2.840 50 0 CFAARO CC(C)=CC[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000097373689 375553309 /nfs/dbraw/zinc/55/33/09/375553309.db2.gz FGNLALSNYRWRID-YOEHRIQHSA-N 1 0 251.395 2.662 50 0 CFAARO CC(C)OC[C@H](O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000097475734 375565257 /nfs/dbraw/zinc/56/52/57/375565257.db2.gz RRYQYYVUFIGNSW-OAHLLOKOSA-N 1 0 281.396 2.810 50 0 CFAARO C(=C\c1ccco1)\C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000098059538 375597260 /nfs/dbraw/zinc/59/72/60/375597260.db2.gz BSUMRVOZSDYEGS-OMVNSRBRSA-N 1 0 255.317 2.886 50 0 CFAARO OC[C@@H]1CCCCC[N@@H+]1Cc1ccnc2ccccc12 ZINC000097679962 375577902 /nfs/dbraw/zinc/57/79/02/375577902.db2.gz XMYCFVPMJOFPEC-HNNXBMFYSA-N 1 0 270.376 2.972 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)CC(C)(C)c1ccccc1 ZINC000097694802 375579225 /nfs/dbraw/zinc/57/92/25/375579225.db2.gz CWLIQZFAKZJTID-MRXNPFEDSA-N 1 0 288.435 2.955 50 0 CFAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000100583577 375625170 /nfs/dbraw/zinc/62/51/70/375625170.db2.gz AOJWIARIDZFUIS-HNNXBMFYSA-N 1 0 286.375 2.549 50 0 CFAARO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1C(=O)Cc3ccccc31)C2 ZINC000100017768 375611991 /nfs/dbraw/zinc/61/19/91/375611991.db2.gz GIDZCNCCCWFCIN-QDMKHBRRSA-N 1 0 270.376 2.591 50 0 in-vitro CFAARO C[N@H+](C[C@H]1CCOC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000107509650 375807664 /nfs/dbraw/zinc/80/76/64/375807664.db2.gz HZKFRGIQKXTRFS-WBVHZDCISA-N 1 0 274.408 2.624 50 0 CFAARO CC(C)N(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CCC1 ZINC000119247743 376378814 /nfs/dbraw/zinc/37/88/14/376378814.db2.gz RZYSVQNQOHMGOQ-OAHLLOKOSA-N 1 0 260.381 2.866 50 0 CFAARO Cc1ccc(C[NH+]2CCC(Nc3cccnn3)CC2)s1 ZINC000120288447 376585013 /nfs/dbraw/zinc/58/50/13/376585013.db2.gz GGFWMOQKQDZUGB-UHFFFAOYSA-N 1 0 288.420 2.923 50 0 CFAARO Cc1cc(Cl)ccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000129932694 377490257 /nfs/dbraw/zinc/49/02/57/377490257.db2.gz YAIQPZXCMCRKKV-CYBMUJFWSA-N 1 0 271.813 2.606 50 0 CFAARO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000130247193 377527462 /nfs/dbraw/zinc/52/74/62/377527462.db2.gz RMRIAJLKJYUNKD-MNOVXSKESA-N 1 0 294.361 2.859 50 0 CFAARO C[C@@H](O)C[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000130664055 377589854 /nfs/dbraw/zinc/58/98/54/377589854.db2.gz JWHXHNPPMGUQIV-CYBMUJFWSA-N 1 0 256.349 2.561 50 0 CFAARO COC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000130954378 377637993 /nfs/dbraw/zinc/63/79/93/377637993.db2.gz KRRPPPAONMUOLR-GFCCVEGCSA-N 1 0 251.326 2.678 50 0 CFAARO Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000136898014 378212309 /nfs/dbraw/zinc/21/23/09/378212309.db2.gz VMAMOKVKDSNLMQ-YPMHNXCESA-N 1 0 253.773 2.851 50 0 CFAARO Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000136898059 378212803 /nfs/dbraw/zinc/21/28/03/378212803.db2.gz VMAMOKVKDSNLMQ-DGCLKSJQSA-N 1 0 253.773 2.851 50 0 CFAARO O[C@H](CN1CCC[N@@H+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715404 378250468 /nfs/dbraw/zinc/25/04/68/378250468.db2.gz OUQCGNWQPNRZLX-MRXNPFEDSA-N 1 0 294.826 2.544 50 0 CFAARO Cc1cc(CCCC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c(C)s1 ZINC000154275158 378554456 /nfs/dbraw/zinc/55/44/56/378554456.db2.gz TVIVTQXOYLOKAZ-VXGBXAGGSA-N 1 0 294.464 2.896 50 0 CFAARO CC1(C)CCCN(CC[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000331311813 378666879 /nfs/dbraw/zinc/66/68/79/378666879.db2.gz ZOGMSLYRGVYLMU-UHFFFAOYSA-N 1 0 295.452 2.843 50 0 CFAARO COc1ccc(CC[NH2+]Cc2nc(-c3ccco3)no2)cc1 ZINC000048345922 412903916 /nfs/dbraw/zinc/90/39/16/412903916.db2.gz VVSSSXFRDBAYAO-UHFFFAOYSA-N 1 0 299.330 2.671 50 0 CFAARO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCCOc1ccc(F)cc1 ZINC000170595538 379125385 /nfs/dbraw/zinc/12/53/85/379125385.db2.gz MUJXQGJJZWUKBN-STQMWFEESA-N 1 0 297.370 2.772 50 0 CFAARO C[C@H](C[NH2+]Cc1nc(-c2ccccc2)c[nH]1)Cn1ccnc1 ZINC000170085176 379116419 /nfs/dbraw/zinc/11/64/19/379116419.db2.gz IKDNMCUJKJNFTQ-CQSZACIVSA-N 1 0 295.390 2.699 50 0 CFAARO O[C@H](C[N@@H+]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000048543938 412908151 /nfs/dbraw/zinc/90/81/51/412908151.db2.gz TXSBXAHMPGSIFX-QGZVFWFLSA-N 1 0 271.335 2.917 50 0 CFAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccoc1 ZINC000174938138 379964897 /nfs/dbraw/zinc/96/48/97/379964897.db2.gz RKTHXIPULPBSQI-INIZCTEOSA-N 1 0 298.386 2.874 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000178324773 380437018 /nfs/dbraw/zinc/43/70/18/380437018.db2.gz 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/nfs/dbraw/zinc/99/45/01/382994501.db2.gz YLJTUYSRCLZJSX-UHFFFAOYSA-N 1 0 263.381 2.550 50 0 CFAARO CNC(=O)CC[N@H+](C)Cc1ccc(C2CCCC2)s1 ZINC000244875096 382994653 /nfs/dbraw/zinc/99/46/53/382994653.db2.gz XMLSNHAAKLMZGE-UHFFFAOYSA-N 1 0 280.437 2.974 50 0 CFAARO CC(C)c1nnsc1CN(C)[C@H](C)Cc1cnccn1 ZINC000244873173 382994710 /nfs/dbraw/zinc/99/47/10/382994710.db2.gz WLFOMWXUXISCIW-LLVKDONJSA-N 1 0 291.424 2.515 50 0 CFAARO CNc1nc(CN(C)CC[C@@H](O)c2ccccc2)cs1 ZINC000244882539 382994811 /nfs/dbraw/zinc/99/48/11/382994811.db2.gz XTRGRBRDKIJZTM-CQSZACIVSA-N 1 0 291.420 2.740 50 0 CFAARO COCC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C)c2)C1 ZINC000244899631 382995447 /nfs/dbraw/zinc/99/54/47/382995447.db2.gz ZNAVULQWFKIUIJ-OAHLLOKOSA-N 1 0 290.407 2.682 50 0 CFAARO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCCC[C@H]1C ZINC000244955851 382995626 /nfs/dbraw/zinc/99/56/26/382995626.db2.gz GCHIHZIMIPPUGG-CVEARBPZSA-N 1 0 277.408 2.918 50 0 CFAARO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245284712 382996992 /nfs/dbraw/zinc/99/69/92/382996992.db2.gz UFVHRDPNNDCPFW-BPUTZDHNSA-N 1 0 272.392 2.725 50 0 CFAARO COc1cc(C[C@H](C)[NH2+]CCc2ccncc2C)ccn1 ZINC000585117144 383115048 /nfs/dbraw/zinc/11/50/48/383115048.db2.gz RZJFRKXLCGJBBS-AWEZNQCLSA-N 1 0 285.391 2.557 50 0 CFAARO c1nnc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1-c1ccccc1 ZINC000585117823 383115231 /nfs/dbraw/zinc/11/52/31/383115231.db2.gz YFYMOCCZERNGIX-KFWWJZLASA-N 1 0 282.391 2.793 50 0 CFAARO C[C@H]([NH2+]Cc1ccns1)[C@H](c1ccccc1)N(C)C ZINC000585117776 383115301 /nfs/dbraw/zinc/11/53/01/383115301.db2.gz WJNMCDGBJXWADE-SWLSCSKDSA-N 1 0 275.421 2.924 50 0 CFAARO Cc1ncsc1C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000247280092 383158891 /nfs/dbraw/zinc/15/88/91/383158891.db2.gz YNSNXIOEDSJHRC-AAEUAGOBSA-N 1 0 276.409 2.731 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H]2CCCC[C@H]2C)C1 ZINC000248498302 383251429 /nfs/dbraw/zinc/25/14/29/383251429.db2.gz ROOYBKJWKRKOHG-BMFZPTHFSA-N 1 0 266.429 2.613 50 0 CFAARO COc1ccc(CC[C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])cc1 ZINC000426509186 383403238 /nfs/dbraw/zinc/40/32/38/383403238.db2.gz ADLANHYAURTMHM-SCNOPHJPSA-N 1 0 288.435 2.685 50 0 CFAARO CCCCC[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C(C)C ZINC000252479129 383409893 /nfs/dbraw/zinc/40/98/93/383409893.db2.gz AZRFWSAFTPMSOV-CYBMUJFWSA-N 1 0 253.386 2.983 50 0 CFAARO CCn1ncc(CN(C)Cc2[nH+]c(C)n3ccccc23)c1C ZINC000426701362 383410150 /nfs/dbraw/zinc/41/01/50/383410150.db2.gz FYTRDMUGVSXYDI-UHFFFAOYSA-N 1 0 297.406 2.800 50 0 CFAARO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Cl)nc2)C[C@H]1C ZINC000252512892 383416670 /nfs/dbraw/zinc/41/66/70/383416670.db2.gz WNYJQJFTZIMPJP-GHMZBOCLSA-N 1 0 296.802 2.681 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000252499844 383413946 /nfs/dbraw/zinc/41/39/46/383413946.db2.gz SGFOQLNPDFCENT-NSHDSACASA-N 1 0 268.430 2.516 50 0 CFAARO CCOC(=O)CN(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000253392229 383454340 /nfs/dbraw/zinc/45/43/40/383454340.db2.gz NMEQGSJOIDVXSA-LSDHHAIUSA-N 1 0 295.354 2.541 50 0 CFAARO CCn1c(C)nnc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000253416117 383456361 /nfs/dbraw/zinc/45/63/61/383456361.db2.gz PMQAXROBZISLDQ-LBPRGKRZSA-N 1 0 268.430 2.573 50 0 CFAARO CCC[NH+]1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000253417256 383457146 /nfs/dbraw/zinc/45/71/46/383457146.db2.gz TVBJTTRHSTULDU-OAHLLOKOSA-N 1 0 274.408 2.580 50 0 CFAARO C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C1(C[NH3+])CCCC1 ZINC000253433230 383459906 /nfs/dbraw/zinc/45/99/06/383459906.db2.gz UHBUDBQBUUVIQR-GOEBONIOSA-N 1 0 286.419 2.910 50 0 CFAARO C[C@H]1C[C@H](CC[NH+]2CCC(NC(N)=O)CC2)C[C@@H](C)C1 ZINC000252582026 383419326 /nfs/dbraw/zinc/41/93/26/383419326.db2.gz YXVVSALASUBEAM-WDNDVIMCSA-N 1 0 281.444 2.582 50 0 CFAARO Cc1ccc(C[N@@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)o1 ZINC000257175325 383490058 /nfs/dbraw/zinc/49/00/58/383490058.db2.gz ARVDOPJMRLLMPQ-CVEARBPZSA-N 1 0 290.407 2.859 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cn1 ZINC000636440575 383817790 /nfs/dbraw/zinc/81/77/90/383817790.db2.gz QTDLVSDKKXDXHK-IRXDYDNUSA-N 1 0 298.386 2.788 50 0 CFAARO CCc1sc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1C ZINC000289160131 197249927 /nfs/dbraw/zinc/24/99/27/197249927.db2.gz GXVJSBUTQLQBDU-INIZCTEOSA-N 1 0 292.448 2.835 50 0 CFAARO CCCn1nnnc1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000119472993 412995265 /nfs/dbraw/zinc/99/52/65/412995265.db2.gz PHNMJOXJYDAQFK-OLZOCXBDSA-N 1 0 279.432 2.778 50 0 CFAARO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000076040536 285245838 /nfs/dbraw/zinc/24/58/38/285245838.db2.gz BWZYZKZKNYDDJS-JKSUJKDBSA-N 1 0 263.381 2.529 50 0 CFAARO OC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1Cl ZINC000225330720 285273183 /nfs/dbraw/zinc/27/31/83/285273183.db2.gz XRNKENKDBGWPOU-GLQYFDAESA-N 1 0 283.799 2.514 50 0 CFAARO C[C@@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000007787551 256804093 /nfs/dbraw/zinc/80/40/93/256804093.db2.gz ZQWUDUFRUVSZNK-ZZFFKQLHSA-N 1 0 290.451 2.803 50 0 CFAARO COc1c(C)cnc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)c1C ZINC000824500081 781991943 /nfs/dbraw/zinc/99/19/43/781991943.db2.gz VRZBDCSZNNTWAB-FICVDOATSA-N 1 0 290.407 2.849 50 0 CFAARO O[C@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1Cl ZINC000097370846 285355908 /nfs/dbraw/zinc/35/59/08/285355908.db2.gz IVMDEAUYYOOGIA-ZWNOBZJWSA-N 1 0 271.813 2.859 50 0 CFAARO O=C(NC1CC1)[C@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095422589 184976812 /nfs/dbraw/zinc/97/68/12/184976812.db2.gz BKUGZYYBWJRYOW-RDJZCZTQSA-N 1 0 298.430 2.581 50 0 CFAARO CC(C)[NH+](CCS[C@H]1C[C@H](C)OC1=O)C(C)C ZINC000095446292 184988188 /nfs/dbraw/zinc/98/81/88/184988188.db2.gz RQMFWISIPBDQLD-RYUDHWBXSA-N 1 0 259.415 2.542 50 0 CFAARO Cc1ccc([C@H]2SCC(=O)N2CCC[NH+](C)C)cc1 ZINC000001511444 169710624 /nfs/dbraw/zinc/71/06/24/169710624.db2.gz DCWBVIOHQBJVIP-OAHLLOKOSA-N 1 0 278.421 2.521 50 0 CFAARO CCN(C(=O)C1CC[NH2+]CC1)c1cc(C)cc(C)c1 ZINC000237084368 131003583 /nfs/dbraw/zinc/00/35/83/131003583.db2.gz YBZWWWBFXYMSJZ-UHFFFAOYSA-N 1 0 260.381 2.656 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000245316705 131085490 /nfs/dbraw/zinc/08/54/90/131085490.db2.gz KFESMGRJJXQKMO-WHLNNUNGSA-N 1 0 283.318 2.562 50 0 CFAARO CCn1cc([C@@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cn1 ZINC000012394323 393472595 /nfs/dbraw/zinc/47/25/95/393472595.db2.gz HBKRHBAPTNJQBY-INIZCTEOSA-N 1 0 280.375 2.928 50 0 CFAARO CCCCCC[C@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000013110970 393477718 /nfs/dbraw/zinc/47/77/18/393477718.db2.gz HEQZDVJWAHZGMY-UWVGGRQHSA-N 1 0 258.387 2.515 50 0 CFAARO Cc1ncc(-c2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)o1 ZINC000189929364 393576282 /nfs/dbraw/zinc/57/62/82/393576282.db2.gz DOEMTAWXBYOHJJ-GFCCVEGCSA-N 1 0 285.347 2.588 50 0 CFAARO Cc1csc2c1ncnc2N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000192594703 393626407 /nfs/dbraw/zinc/62/64/07/393626407.db2.gz QQCPETAXBOJKML-RYUDHWBXSA-N 1 0 288.420 2.673 50 0 CFAARO Cc1csc2nc(C[NH+]3[C@H](C)CCC[C@H]3C)cc(=O)n12 ZINC000065479390 393631698 /nfs/dbraw/zinc/63/16/98/393631698.db2.gz SUPKGANDADDWPD-GHMZBOCLSA-N 1 0 291.420 2.827 50 0 CFAARO CCOCC[N@@H+]1CCN([C@@H](C)c2cccnc2)C[C@H]1CC ZINC000069819898 393636704 /nfs/dbraw/zinc/63/67/04/393636704.db2.gz MSLCFPUXBGDRFS-DOTOQJQBSA-N 1 0 291.439 2.575 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]CCCc2nc3ccccc3o2)c1 ZINC000069583113 393636734 /nfs/dbraw/zinc/63/67/34/393636734.db2.gz RAWZQRIFZSCPOG-AWEZNQCLSA-N 1 0 298.390 2.944 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2c(C)nn(C)c2Cl)c1 ZINC000069458845 393637366 /nfs/dbraw/zinc/63/73/66/393637366.db2.gz YTOQOBKTRGFREL-PWSUYJOCSA-N 1 0 295.818 2.626 50 0 CFAARO COc1cc(-c2cccc3c2CC[NH2+]C3)ccc1O ZINC000071747067 393640721 /nfs/dbraw/zinc/64/07/21/393640721.db2.gz BIFUNNLBXOVMEF-UHFFFAOYSA-N 1 0 255.317 2.714 50 0 CFAARO C[C@@]1(C[NH2+][C@H]2CCCCC23CCCC3)CCC(=O)N1 ZINC000335223358 393652605 /nfs/dbraw/zinc/65/26/05/393652605.db2.gz YPDGTTDTZMXHOR-ZFWWWQNUSA-N 1 0 264.413 2.748 50 0 CFAARO Cc1ccsc1CCNc1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000220203311 393761555 /nfs/dbraw/zinc/76/15/55/393761555.db2.gz WPGBYBLHXFDSDN-HAQNSBGRSA-N 1 0 288.420 2.706 50 0 CFAARO COC(=O)CC1([NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CCOCC1 ZINC000225515812 393768785 /nfs/dbraw/zinc/76/87/85/393768785.db2.gz LPHIVDCCDUGPHI-GJZGRUSLSA-N 1 0 295.423 2.681 50 0 CFAARO C/C(=C/C(=O)N1CCCC[C@H]1C[NH3+])c1ccccc1F ZINC000236623169 393785985 /nfs/dbraw/zinc/78/59/85/393785985.db2.gz MHEVJYOACXYAIY-UKVQZPPCSA-N 1 0 276.355 2.569 50 0 CFAARO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000092062486 393786960 /nfs/dbraw/zinc/78/69/60/393786960.db2.gz UAHXGQCAJFIHJQ-OKILXGFUSA-N 1 0 297.402 2.670 50 0 CFAARO CNC(=O)CC1CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000093588192 393802194 /nfs/dbraw/zinc/80/21/94/393802194.db2.gz UNMMRYJPYIFPPN-DOMZBBRYSA-N 1 0 290.407 2.751 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)c1ccncc1)CCC2 ZINC000095402202 393811478 /nfs/dbraw/zinc/81/14/78/393811478.db2.gz KEAKJMULJFTVFV-HIFRSBDPSA-N 1 0 270.380 2.815 50 0 CFAARO Cc1csc(C[NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)n1 ZINC000095991157 393814602 /nfs/dbraw/zinc/81/46/02/393814602.db2.gz CUBYKWXRDATUKP-GLWUULTISA-N 1 0 296.436 2.863 50 0 CFAARO C[C@@H](O)C[N@H+](CCc1ccncc1)Cc1ccccc1 ZINC000096421165 393828056 /nfs/dbraw/zinc/82/80/56/393828056.db2.gz XBCOWRXLROJRFG-OAHLLOKOSA-N 1 0 270.376 2.507 50 0 CFAARO OCCC[N@H+](Cc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000096424231 393829542 /nfs/dbraw/zinc/82/95/42/393829542.db2.gz MWZXOBKUWCRAHT-GOSISDBHSA-N 1 0 282.387 2.954 50 0 CFAARO CC(C)[N@H+](C)CC(=O)NC[C@H](C)c1ccc(F)c(F)c1 ZINC000096432613 393832469 /nfs/dbraw/zinc/83/24/69/393832469.db2.gz OBVOCTRKUWUWAK-NSHDSACASA-N 1 0 284.350 2.525 50 0 CFAARO Cc1nnc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)[nH]1 ZINC000426518313 393888858 /nfs/dbraw/zinc/88/88/58/393888858.db2.gz LKWQDQZWHSGGKG-AWEZNQCLSA-N 1 0 270.380 2.739 50 0 CFAARO CCOC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000247690864 393902053 /nfs/dbraw/zinc/90/20/53/393902053.db2.gz VWUDWBMFYYVTBC-YUELXQCFSA-N 1 0 281.396 2.758 50 0 CFAARO Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(Cl)s1)C2 ZINC000097198526 393840708 /nfs/dbraw/zinc/84/07/08/393840708.db2.gz JPJUTFRYTVVTBT-SECBINFHSA-N 1 0 295.795 2.651 50 0 CFAARO C[C@H](C(=O)N(C)CCC(F)(F)F)[NH+]1[C@H](C)CC[C@H]1C ZINC000252486239 393935549 /nfs/dbraw/zinc/93/55/49/393935549.db2.gz HBDFAKOPWKXXOL-GMTAPVOTSA-N 1 0 280.334 2.659 50 0 CFAARO CO[C@H](C)C[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000348834888 393959078 /nfs/dbraw/zinc/95/90/78/393959078.db2.gz RKMXTKGQZPSXJD-GFCCVEGCSA-N 1 0 263.381 2.867 50 0 CFAARO C(=C\c1ccccc1)\C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000096297196 134512096 /nfs/dbraw/zinc/51/20/96/134512096.db2.gz YAROAQNEGIDHHD-YWEYNIOJSA-N 1 0 294.402 2.748 50 0 CFAARO C[C@@H]1CCC[C@H](OC(=O)CN(C)[C@@H]2CCSC2)C1 ZINC000128959091 394079214 /nfs/dbraw/zinc/07/92/14/394079214.db2.gz LZQVCOLQHITPFC-UPJWGTAASA-N 1 0 271.426 2.546 50 0 CFAARO CC[NH+]1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000005164280 134654717 /nfs/dbraw/zinc/65/47/17/134654717.db2.gz CZOQEBZXFSRWEH-UHFFFAOYSA-N 1 0 282.347 2.518 50 0 CFAARO CN(C(=O)[C@H](C[NH3+])c1ccccc1)c1ccc(F)c(F)c1 ZINC000170048819 394371287 /nfs/dbraw/zinc/37/12/87/394371287.db2.gz AXOHYDMSNUTFTR-CYBMUJFWSA-N 1 0 290.313 2.670 50 0 CFAARO c1ccc2c(c1)CC[N@@H+](C1CCN(c3ccncn3)CC1)C2 ZINC000092038069 135075276 /nfs/dbraw/zinc/07/52/76/135075276.db2.gz WVDVKGCZSYZNHZ-UHFFFAOYSA-N 1 0 294.402 2.504 50 0 CFAARO Cc1cccc(N(C)C(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000049989255 543099703 /nfs/dbraw/zinc/09/97/03/543099703.db2.gz BKFZHNHOLVDWTC-OAHLLOKOSA-N 1 0 254.333 2.658 50 0 CFAARO Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000063193134 292083244 /nfs/dbraw/zinc/08/32/44/292083244.db2.gz BYNDENPCSVMQNA-DZGCQCFKSA-N 1 0 260.381 2.645 50 0 CFAARO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c(C)s1 ZINC000046878568 397582740 /nfs/dbraw/zinc/58/27/40/397582740.db2.gz WHHYIOGEPCKCHH-NSHDSACASA-N 1 0 280.437 2.827 50 0 CFAARO Cc1ccc(C)c2sc(N3CC[NH+](C)CC3)nc21 ZINC000012230057 397538270 /nfs/dbraw/zinc/53/82/70/397538270.db2.gz PBUMQXGSLVUXHV-UHFFFAOYSA-N 1 0 261.394 2.665 50 0 CFAARO COC[C@@H](C)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000108491684 397598266 /nfs/dbraw/zinc/59/82/66/397598266.db2.gz ZZBWTEBKYGQAMK-KFWWJZLASA-N 1 0 292.423 2.743 50 0 CFAARO CO[C@H](C[NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1Cl ZINC000108489149 397598391 /nfs/dbraw/zinc/59/83/91/397598391.db2.gz MLDQLGJZSPEJME-LERXQTSPSA-N 1 0 269.772 2.795 50 0 CFAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000108476843 397598471 /nfs/dbraw/zinc/59/84/71/397598471.db2.gz AMKVLDQRYOCHOU-SLEUVZQESA-N 1 0 263.429 2.994 50 0 CFAARO Cc1c([C@H]2CCC[N@@H+]2Cc2ccc(O)cc2)cnn1C ZINC000195575896 397612099 /nfs/dbraw/zinc/61/20/99/397612099.db2.gz KFPXNXWUZDLOGE-MRXNPFEDSA-N 1 0 271.364 2.771 50 0 CFAARO Cc1cnn(C)c1C[N@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000216385427 397620302 /nfs/dbraw/zinc/62/03/02/397620302.db2.gz ISJWQRLCOYYINN-OAHLLOKOSA-N 1 0 277.412 2.510 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C(C)C ZINC000004020171 292369606 /nfs/dbraw/zinc/36/96/06/292369606.db2.gz LSKOBBMGJQZPPY-ZBFHGGJFSA-N 1 0 272.392 2.785 50 0 CFAARO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCSC3)cn2)cc1 ZINC000344766443 162117831 /nfs/dbraw/zinc/11/78/31/162117831.db2.gz QAXIFFRIWMRCRZ-CYBMUJFWSA-N 1 0 277.368 2.607 50 0 CFAARO CC[C@H](C)c1ccc(OCCC[NH2+]CCO)cc1 ZINC000003001331 169849078 /nfs/dbraw/zinc/84/90/78/169849078.db2.gz NVXJENXDBMOUDB-ZDUSSCGKSA-N 1 0 251.370 2.551 50 0 CFAARO Cc1cc(C)c(C)c(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000003315104 169877851 /nfs/dbraw/zinc/87/78/51/169877851.db2.gz DYEQPDDKINTEQL-OAHLLOKOSA-N 1 0 263.381 2.759 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1 ZINC000004729415 170007355 /nfs/dbraw/zinc/00/73/55/170007355.db2.gz RMVNPEWAEINXLO-KFWWJZLASA-N 1 0 263.381 2.689 50 0 CFAARO C[NH+]1CCC(NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000004749040 170010802 /nfs/dbraw/zinc/01/08/02/170010802.db2.gz FXMSPLRWXUXLQU-UHFFFAOYSA-N 1 0 286.297 2.529 50 0 CFAARO CC[NH+](CC)C[C@@H](O)COc1cccc2ccccc21 ZINC000004765357 170013549 /nfs/dbraw/zinc/01/35/49/170013549.db2.gz DIVDBWIIXNIKDQ-OAHLLOKOSA-N 1 0 273.376 2.921 50 0 CFAARO COc1cccc(C=O)c1OCC[N@@H+]1CCC[C@H](C)C1 ZINC000004870273 170034640 /nfs/dbraw/zinc/03/46/40/170034640.db2.gz YQYKMDDGMPMRAN-ZDUSSCGKSA-N 1 0 277.364 2.618 50 0 CFAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C ZINC000004906249 170039757 /nfs/dbraw/zinc/03/97/57/170039757.db2.gz QQXMQEXSAZUYIU-UHFFFAOYSA-N 1 0 286.379 2.518 50 0 CFAARO Cc1ccc(OCC[NH+](C)C)c(Br)c1 ZINC000004906756 170039968 /nfs/dbraw/zinc/03/99/68/170039968.db2.gz SXWTZEZQVZMLOV-UHFFFAOYSA-N 1 0 258.159 2.698 50 0 CFAARO OCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000004942888 170043585 /nfs/dbraw/zinc/04/35/85/170043585.db2.gz BPAVNXAETUKIHZ-UHFFFAOYSA-N 1 0 251.713 2.682 50 0 CFAARO CC1CCC([NH+]2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000005067897 170063392 /nfs/dbraw/zinc/06/33/92/170063392.db2.gz YDXMRXYYCWQWLN-UHFFFAOYSA-N 1 0 276.380 2.616 50 0 CFAARO Oc1cccc([C@H](O)C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000005074060 170064280 /nfs/dbraw/zinc/06/42/80/170064280.db2.gz YAXWJUCCMGIEJI-RBXDXQPVSA-N 1 0 287.403 2.984 50 0 CFAARO CC[NH+](CC)CCn1cnc2c3ccc(C)cc3[nH]c2c1=O ZINC000005478344 170103471 /nfs/dbraw/zinc/10/34/71/170103471.db2.gz IGIBKWUIKMEYID-UHFFFAOYSA-N 1 0 298.390 2.528 50 0 CFAARO Clc1cccc(OCCOCC[NH+]2CCCC2)c1 ZINC000005671209 170126414 /nfs/dbraw/zinc/12/64/14/170126414.db2.gz WTCQXAUNAJIUID-UHFFFAOYSA-N 1 0 269.772 2.831 50 0 CFAARO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH+]1CCCC1 ZINC000005721007 170132576 /nfs/dbraw/zinc/13/25/76/170132576.db2.gz LPNFMFMSFYVYKQ-LLVKDONJSA-N 1 0 250.317 2.639 50 0 CFAARO CCN(CC)c1ccc2cc(C(=O)NC3CC3)c(=[NH2+])oc2c1 ZINC000006517573 170208751 /nfs/dbraw/zinc/20/87/51/170208751.db2.gz VIPWYNHLMXXZJO-UHFFFAOYSA-N 1 0 299.374 2.651 50 0 CFAARO Cc1sc2nc(C)nc(NCC[NH+](C)C)c2c1C ZINC000006598428 170218039 /nfs/dbraw/zinc/21/80/39/170218039.db2.gz GXMKSNVSUHDKLS-UHFFFAOYSA-N 1 0 264.398 2.590 50 0 CFAARO Brc1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000006658199 170223122 /nfs/dbraw/zinc/22/31/22/170223122.db2.gz GUBWWONNUJWMOH-NSHDSACASA-N 1 0 255.159 2.613 50 0 CFAARO Cc1ccc(NC(=O)NCC[NH+]2CCCCC2)c(C)c1 ZINC000006726307 170233368 /nfs/dbraw/zinc/23/33/68/170233368.db2.gz MGALILYMDGTLIC-UHFFFAOYSA-N 1 0 275.396 2.911 50 0 CFAARO COc1cccc(NC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000006731113 170235494 /nfs/dbraw/zinc/23/54/94/170235494.db2.gz UXGBGWXAKRNWEB-UHFFFAOYSA-N 1 0 291.395 2.690 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000006741276 170237354 /nfs/dbraw/zinc/23/73/54/170237354.db2.gz FOILKIKHUYONQH-UHFFFAOYSA-N 1 0 261.369 2.555 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1CCCC1)c1cc2ccccc2o1 ZINC000007340271 170277776 /nfs/dbraw/zinc/27/77/76/170277776.db2.gz ZBXCGQIQEWFYSE-GFCCVEGCSA-N 1 0 272.348 2.706 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000008036435 170315474 /nfs/dbraw/zinc/31/54/74/170315474.db2.gz FTSJCDIDYWZFGE-UHFFFAOYSA-N 1 0 281.787 2.900 50 0 CFAARO Cc1ccccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000008673891 170344822 /nfs/dbraw/zinc/34/48/22/170344822.db2.gz WIDYAMOCGGLAKU-UHFFFAOYSA-N 1 0 274.408 2.989 50 0 CFAARO Oc1cccc([C@H](O)C[NH2+]C/C=C/c2ccccc2)c1 ZINC000008728035 170350432 /nfs/dbraw/zinc/35/04/32/170350432.db2.gz LRZWHSLIYLGAOB-ZGRWHYIRSA-N 1 0 269.344 2.729 50 0 CFAARO O=c1cc(C[NH+]2CCCCCC2)nc2ccc(Cl)cn12 ZINC000008936894 170359130 /nfs/dbraw/zinc/35/91/30/170359130.db2.gz QFIXIIAYQLDSMB-UHFFFAOYSA-N 1 0 291.782 2.724 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(C=O)cc2)C1 ZINC000009261282 170369265 /nfs/dbraw/zinc/36/92/65/170369265.db2.gz RAKUMOBFTRTYFN-KBPBESRZSA-N 1 0 261.365 2.856 50 0 CFAARO COc1cc(C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000009434951 170376674 /nfs/dbraw/zinc/37/66/74/170376674.db2.gz RHPLGKSKPIOZGG-UHFFFAOYSA-N 1 0 279.380 2.944 50 0 CFAARO CC1CC[NH+](CCCNC(=O)Nc2ccccc2)CC1 ZINC000009451918 170377086 /nfs/dbraw/zinc/37/70/86/170377086.db2.gz RJCQZHLNIQXRLK-UHFFFAOYSA-N 1 0 275.396 2.930 50 0 CFAARO CCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000016603469 170704296 /nfs/dbraw/zinc/70/42/96/170704296.db2.gz PJUSJPLXDLNRAZ-UHFFFAOYSA-N 1 0 252.402 2.557 50 0 CFAARO C[C@H]([NH3+])c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000019873348 170903335 /nfs/dbraw/zinc/90/33/35/170903335.db2.gz GQKUZACIJAQLEM-CMPLNLGQSA-N 1 0 253.317 2.793 50 0 CFAARO Cc1ccc(C[NH2+]CCc2nnc3ccccn32)c(C)c1 ZINC000020128143 171014755 /nfs/dbraw/zinc/01/47/55/171014755.db2.gz ZKXYKAVXHCUXPD-UHFFFAOYSA-N 1 0 280.375 2.678 50 0 CFAARO FC(F)(F)Oc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000020135938 171023342 /nfs/dbraw/zinc/02/33/42/171023342.db2.gz RSADOPHGOBYIGR-UHFFFAOYSA-N 1 0 260.259 2.749 50 0 CFAARO C[C@H]([NH2+]CCCN1CCOCC1)c1cc2ccccc2o1 ZINC000020141910 171028530 /nfs/dbraw/zinc/02/85/30/171028530.db2.gz KGVSMRJDDOVDOL-AWEZNQCLSA-N 1 0 288.391 2.806 50 0 CFAARO COc1ccc(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000020221684 171083069 /nfs/dbraw/zinc/08/30/69/171083069.db2.gz FTYGFKKRELCINH-UHFFFAOYSA-N 1 0 255.745 2.727 50 0 CFAARO CCC(C)(C)c1ccc(OCCN2CC[NH2+]CC2)cc1 ZINC000020293416 171134179 /nfs/dbraw/zinc/13/41/79/171134179.db2.gz ZBIJRRQSIPYPQJ-UHFFFAOYSA-N 1 0 276.424 2.658 50 0 CFAARO CC[NH+]1CCN(CCOc2ccc(Cl)c(C)c2C)CC1 ZINC000020390375 171178791 /nfs/dbraw/zinc/17/87/91/171178791.db2.gz QCMBZSAECQLABP-UHFFFAOYSA-N 1 0 296.842 2.973 50 0 CFAARO Cc1ccsc1C[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC000020449140 171207560 /nfs/dbraw/zinc/20/75/60/171207560.db2.gz KPOHXTHHBMDQDZ-UHFFFAOYSA-N 1 0 299.403 2.869 50 0 CFAARO Cc1ccc(C)c(OCCCN2CC[NH+](C)CC2)c1Cl ZINC000020639714 171268837 /nfs/dbraw/zinc/26/88/37/171268837.db2.gz RRUGQAMVFJLEOW-UHFFFAOYSA-N 1 0 296.842 2.973 50 0 CFAARO Cc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)o1 ZINC000020780539 171272319 /nfs/dbraw/zinc/27/23/19/171272319.db2.gz HSKPZJONQZQRCA-HNNXBMFYSA-N 1 0 294.439 2.503 50 0 CFAARO CC1CC[NH+](CCCNC(=O)NCc2ccccc2)CC1 ZINC000020889877 171278290 /nfs/dbraw/zinc/27/82/90/171278290.db2.gz NSNVOLRKHBOVQX-UHFFFAOYSA-N 1 0 289.423 2.608 50 0 CFAARO CCCOc1ccccc1C[NH2+]CCCn1ccnc1 ZINC000020924609 171280144 /nfs/dbraw/zinc/28/01/44/171280144.db2.gz ULMQJJMQANOIQZ-UHFFFAOYSA-N 1 0 273.380 2.852 50 0 CFAARO CCCOc1ccccc1CNCCC[NH+](C)C ZINC000020967305 171282218 /nfs/dbraw/zinc/28/22/18/171282218.db2.gz MYXXQAGUNRRYSA-UHFFFAOYSA-N 1 0 250.386 2.517 50 0 CFAARO CCCOc1ccc(C[NH2+]CCN(C)C)cc1OCC ZINC000020968264 171282702 /nfs/dbraw/zinc/28/27/02/171282702.db2.gz HGZRHKFGEJZQTG-UHFFFAOYSA-N 1 0 280.412 2.525 50 0 CFAARO CCc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)o1 ZINC000020996689 171284326 /nfs/dbraw/zinc/28/43/26/171284326.db2.gz OAOQDVHRTYGGDB-ZDUSSCGKSA-N 1 0 257.333 2.935 50 0 CFAARO CC[NH+](CC)CCn1c(=O)[nH]c(=S)c2c1CCCC2 ZINC000021010933 171286586 /nfs/dbraw/zinc/28/65/86/171286586.db2.gz JTAZHRHGBCGJGB-UHFFFAOYSA-N 1 0 281.425 2.539 50 0 CFAARO CCCC[N@H+](CC)CCCNc1ncnc2onc(C)c21 ZINC000021714725 171319724 /nfs/dbraw/zinc/31/97/24/171319724.db2.gz CBSTVHKREJQHKR-UHFFFAOYSA-N 1 0 291.399 2.850 50 0 CFAARO FC(F)(F)c1cnc(OC2CC[NH2+]CC2)c(Cl)c1 ZINC000022995911 171405897 /nfs/dbraw/zinc/40/58/97/171405897.db2.gz DKEQXMXJTFKZCS-UHFFFAOYSA-N 1 0 280.677 2.885 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1cccc2cccnc21 ZINC000035259039 172091777 /nfs/dbraw/zinc/09/17/77/172091777.db2.gz GZKKZRUIDKNNLL-ZDUSSCGKSA-N 1 0 266.348 2.610 50 0 CFAARO C[NH+](C)Cc1c[nH]c2cc(Br)ccc12 ZINC000035635660 172320742 /nfs/dbraw/zinc/32/07/42/172320742.db2.gz CKUNQRCQLWHINE-UHFFFAOYSA-N 1 0 253.143 2.992 50 0 CFAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000037304895 173109455 /nfs/dbraw/zinc/10/94/55/173109455.db2.gz GSNVBSGWYXQCLV-CQSZACIVSA-N 1 0 287.411 2.539 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000655857299 414483191 /nfs/dbraw/zinc/48/31/91/414483191.db2.gz RZHOLEWXNPIDNH-OLZOCXBDSA-N 1 0 265.426 2.558 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)OCC(F)(F)F)c1cccs1 ZINC000038342074 174140110 /nfs/dbraw/zinc/14/01/10/174140110.db2.gz YJKNLRWUWVTTNY-QMMMGPOBSA-N 1 0 296.314 2.639 50 0 CFAARO Clc1ccc(O[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000038580889 174148784 /nfs/dbraw/zinc/14/87/84/174148784.db2.gz QGHRQNDZGHIJTA-MRVPVSSYSA-N 1 0 276.561 2.843 50 0 CFAARO Fc1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000038580880 174148851 /nfs/dbraw/zinc/14/88/51/174148851.db2.gz GBNCCCAATROMCW-UHFFFAOYSA-N 1 0 288.160 2.967 50 0 CFAARO CC(C)(C)C[N@@H+]1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000039515385 174169719 /nfs/dbraw/zinc/16/97/19/174169719.db2.gz LWNDAQZDNQTWFT-QGZVFWFLSA-N 1 0 290.451 2.601 50 0 CFAARO Clc1cc(Br)ccc1O[C@@H]1CC[NH2+]C1 ZINC000039953913 174177982 /nfs/dbraw/zinc/17/79/82/174177982.db2.gz IAGGOEBOEPUZIO-MRVPVSSYSA-N 1 0 276.561 2.843 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)C1CCC1)c1ccccc1 ZINC000039975663 174180587 /nfs/dbraw/zinc/18/05/87/174180587.db2.gz DKPJNKGLMRBTNM-MRXNPFEDSA-N 1 0 274.408 2.986 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000039975669 174180606 /nfs/dbraw/zinc/18/06/06/174180606.db2.gz BIQNAFLHOPXADW-CWRNSKLLSA-N 1 0 274.408 2.842 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@H]2c1ccc(F)cc1 ZINC000040267477 174218425 /nfs/dbraw/zinc/21/84/25/174218425.db2.gz BNICUKNNERIXLW-DOTOQJQBSA-N 1 0 282.318 2.750 50 0 CFAARO CN(C(=O)c1cc(Cl)ccc1F)C1CC[NH+](C)CC1 ZINC000040419605 174256886 /nfs/dbraw/zinc/25/68/86/174256886.db2.gz CHZALDOZZFPGFX-UHFFFAOYSA-N 1 0 284.762 2.645 50 0 CFAARO OC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000040490062 174291563 /nfs/dbraw/zinc/29/15/63/174291563.db2.gz QMAAJGHZJVKMSK-UHFFFAOYSA-N 1 0 292.766 2.952 50 0 CFAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cccc(Cl)c1 ZINC000040513559 174305580 /nfs/dbraw/zinc/30/55/80/174305580.db2.gz YMADLJHYTNWWMW-LLVKDONJSA-N 1 0 293.798 2.946 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+]CCCO)cc1Cl ZINC000040743695 174390771 /nfs/dbraw/zinc/39/07/71/174390771.db2.gz CQJFBGSGZHGGOL-UHFFFAOYSA-N 1 0 278.179 2.864 50 0 CFAARO COc1cccc(OCCc2ccc(C[NH3+])cc2)c1 ZINC000041328199 174524931 /nfs/dbraw/zinc/52/49/31/174524931.db2.gz WZUFIMZZTJRFIK-UHFFFAOYSA-N 1 0 257.333 2.775 50 0 CFAARO CCOC(=O)c1ccc(OCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042771329 174871189 /nfs/dbraw/zinc/87/11/89/174871189.db2.gz UIXJRMWBALVDKB-ZDUSSCGKSA-N 1 0 277.364 2.632 50 0 CFAARO C[NH+](C)C1(CNC(=O)Nc2ccccn2)CCCCCC1 ZINC000043781289 175105455 /nfs/dbraw/zinc/10/54/55/175105455.db2.gz AEUHNQDLFLCHGC-UHFFFAOYSA-N 1 0 290.411 2.858 50 0 CFAARO Cc1cc(C)c([N+]2=CN([C@H](CO)CC(C)C)CC2)c(C)c1 ZINC000044069040 175140808 /nfs/dbraw/zinc/14/08/08/175140808.db2.gz SYGKVGOGPLDDND-KRWDZBQOSA-N 1 0 289.443 2.880 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000044136290 175146053 /nfs/dbraw/zinc/14/60/53/175146053.db2.gz KTKQDEYFBRXGAI-UONOGXRCSA-N 1 0 276.380 2.738 50 0 CFAARO CCCOC[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000044653455 175225412 /nfs/dbraw/zinc/22/54/12/175225412.db2.gz TYAGNABDBKRSQX-LBPRGKRZSA-N 1 0 272.186 2.746 50 0 CFAARO Clc1ccccc1C[NH2+]CCOc1ccccn1 ZINC000045945469 175387915 /nfs/dbraw/zinc/38/79/15/175387915.db2.gz WPQWUDRROZZXHN-UHFFFAOYSA-N 1 0 262.740 2.904 50 0 CFAARO C/C=C/C=C/C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239028 175395181 /nfs/dbraw/zinc/39/51/81/175395181.db2.gz HXAJAKSCIYLHOR-KHVHPYDTSA-N 1 0 284.403 2.683 50 0 CFAARO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000046956795 175401716 /nfs/dbraw/zinc/40/17/16/175401716.db2.gz PQUZBAFQFIGFDQ-NSHDSACASA-N 1 0 281.787 2.803 50 0 CFAARO C[C@H](CNC(=O)c1c(F)cccc1F)[NH+]1CCC(C)CC1 ZINC000058191596 175611067 /nfs/dbraw/zinc/61/10/67/175611067.db2.gz QIJRDXIWQFLLQU-GFCCVEGCSA-N 1 0 296.361 2.815 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)[C@H](C)n1cccn1 ZINC000069391875 175826676 /nfs/dbraw/zinc/82/66/76/175826676.db2.gz SILGLMGOKNJUMS-CABCVRRESA-N 1 0 295.390 2.808 50 0 CFAARO COc1ccccc1/C=C/C[NH2+][C@H](C)Cn1cccn1 ZINC000069393595 175826885 /nfs/dbraw/zinc/82/68/85/175826885.db2.gz ZUEGWKXQBMWOOI-LHRNQBEKSA-N 1 0 271.364 2.583 50 0 CFAARO c1coc(-c2nccn2CCCCC[NH+]2CCOCC2)c1 ZINC000071746220 176258284 /nfs/dbraw/zinc/25/82/84/176258284.db2.gz RIYGGJDMWMOUNE-UHFFFAOYSA-N 1 0 289.379 2.646 50 0 CFAARO Cc1ccc(C[NH2+]Cc2c[nH]nc2C(C)(C)C)cn1 ZINC000071819605 176270478 /nfs/dbraw/zinc/27/04/78/176270478.db2.gz FTAKRTURGYRFGP-UHFFFAOYSA-N 1 0 258.369 2.700 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000071837250 176273911 /nfs/dbraw/zinc/27/39/11/176273911.db2.gz ICMNMQPOKOYVOE-CVEARBPZSA-N 1 0 289.354 2.867 50 0 CFAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000071837184 176274206 /nfs/dbraw/zinc/27/42/06/176274206.db2.gz GNWHVCRSLBLULS-GOSISDBHSA-N 1 0 299.418 2.578 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000071837249 176274258 /nfs/dbraw/zinc/27/42/58/176274258.db2.gz ICMNMQPOKOYVOE-JKSUJKDBSA-N 1 0 289.354 2.867 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2cc(C)nc3ccccc23)c1 ZINC000071877349 176286550 /nfs/dbraw/zinc/28/65/50/176286550.db2.gz LSUKDEGCMMGQIR-UHFFFAOYSA-N 1 0 280.375 2.838 50 0 CFAARO CC[C@H](O)C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000071910893 176297772 /nfs/dbraw/zinc/29/77/72/176297772.db2.gz HFFRCPGMPGSXHK-KBPBESRZSA-N 1 0 251.395 2.547 50 0 CFAARO C[NH+](C)CC[C@@H](OC(=O)C[C@@H]1CCCO1)c1ccccc1 ZINC000071922298 176300829 /nfs/dbraw/zinc/30/08/29/176300829.db2.gz QEKAGSQUOVXAEN-JKSUJKDBSA-N 1 0 291.391 2.792 50 0 CFAARO OCCn1ncc2c1CCC[C@H]2[NH2+]C/C=C/c1ccccc1 ZINC000071924555 176301796 /nfs/dbraw/zinc/30/17/96/176301796.db2.gz PXFUOMIPKYCFBZ-ZGRWHYIRSA-N 1 0 297.402 2.556 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)sc1C ZINC000072154549 176328153 /nfs/dbraw/zinc/32/81/53/176328153.db2.gz SRXKCWXQYFBXDB-CYBMUJFWSA-N 1 0 280.437 2.921 50 0 CFAARO c1cc(-c2ccc(C[NH+]3CC(c4ccccn4)C3)o2)n[nH]1 ZINC000072163847 176330349 /nfs/dbraw/zinc/33/03/49/176330349.db2.gz DSMDZERDSKHAKQ-UHFFFAOYSA-N 1 0 280.331 2.664 50 0 CFAARO COc1ccc(CC[NH+]2CC(n3nc(C)cc3C)C2)cc1 ZINC000072268739 176353027 /nfs/dbraw/zinc/35/30/27/176353027.db2.gz LBHLXBDVKPDOQJ-UHFFFAOYSA-N 1 0 285.391 2.608 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000072283117 176359672 /nfs/dbraw/zinc/35/96/72/176359672.db2.gz XKZFPFQDTPFKBF-GXDHUFHOSA-N 1 0 280.371 2.979 50 0 CFAARO CC[NH+](CC)CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000072285827 176360109 /nfs/dbraw/zinc/36/01/09/176360109.db2.gz GOMDXRXFYWGUSN-GFCCVEGCSA-N 1 0 281.425 2.539 50 0 CFAARO C[N@@H+]1CCC[C@@H](c2ccc(Br)cn2)C1 ZINC000072343672 176372070 /nfs/dbraw/zinc/37/20/70/176372070.db2.gz ZFGBADIVZVYYDX-SECBINFHSA-N 1 0 255.159 2.653 50 0 CFAARO C[C@H](NC(=O)CO[C@@H]1CCCC[C@H]1C)C(C)(C)C[NH+](C)C ZINC000075092621 176657692 /nfs/dbraw/zinc/65/76/92/176657692.db2.gz RSQLURIBEIQBKP-QLFBSQMISA-N 1 0 298.471 2.674 50 0 CFAARO CC(C)(C)c1ccc(C2(CNC(N)=[NH2+])CCC2)cc1 ZINC000076105607 176914643 /nfs/dbraw/zinc/91/46/43/176914643.db2.gz CSSWANXSXKAFQL-UHFFFAOYSA-N 1 0 259.397 2.889 50 0 CFAARO Cc1nnc(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)o1 ZINC000076809471 177101806 /nfs/dbraw/zinc/10/18/06/177101806.db2.gz KRXPEHWZHYLIAU-GWCFXTLKSA-N 1 0 275.327 2.895 50 0 CFAARO CC(C)c1nnc(C[N@@H+](C(C)C)C2CCOCC2)o1 ZINC000077322900 177252435 /nfs/dbraw/zinc/25/24/35/177252435.db2.gz WZAHSZSVCJAWLN-UHFFFAOYSA-N 1 0 267.373 2.582 50 0 CFAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)c1cnccn1 ZINC000077356097 177256055 /nfs/dbraw/zinc/25/60/55/177256055.db2.gz ZGNSEXZSAGGEQE-UHFFFAOYSA-N 1 0 296.418 2.825 50 0 CFAARO Fc1ccc(C[NH2+][C@H](Cn2cncn2)c2ccccc2)cc1 ZINC000077404780 177263486 /nfs/dbraw/zinc/26/34/86/177263486.db2.gz MANLIBXLGZRJQL-QGZVFWFLSA-N 1 0 296.349 2.948 50 0 CFAARO Cc1nc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)co1 ZINC000077407560 177263817 /nfs/dbraw/zinc/26/38/17/177263817.db2.gz HUTIPFVHSSNVPB-HNNXBMFYSA-N 1 0 274.368 2.624 50 0 CFAARO COCCC[C@H]1CCCC[N@@H+]1Cc1nc(C)cc(C)n1 ZINC000077405997 177264037 /nfs/dbraw/zinc/26/40/37/177264037.db2.gz JSDRQYLYCJDNMU-OAHLLOKOSA-N 1 0 277.412 2.875 50 0 CFAARO COCC[N@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000077408604 177264517 /nfs/dbraw/zinc/26/45/17/177264517.db2.gz HZQCKESYJFHITP-UHFFFAOYSA-N 1 0 263.381 2.893 50 0 CFAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2CCc2ccccn2)c1 ZINC000077485136 177273712 /nfs/dbraw/zinc/27/37/12/177273712.db2.gz YYNBFDDWASCSSC-KRWDZBQOSA-N 1 0 284.407 2.765 50 0 CFAARO c1cnn(CC[C@H]2CCCC[N@@H+]2CCc2ccccn2)c1 ZINC000077485134 177273934 /nfs/dbraw/zinc/27/39/34/177273934.db2.gz YYNBFDDWASCSSC-QGZVFWFLSA-N 1 0 284.407 2.765 50 0 CFAARO c1ncn(Cc2ccc(C[NH2+]CC3CCCCC3)cc2)n1 ZINC000078265920 177329075 /nfs/dbraw/zinc/32/90/75/177329075.db2.gz HITUFEPBPJNCKM-UHFFFAOYSA-N 1 0 284.407 2.996 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070543547 287341134 /nfs/dbraw/zinc/34/11/34/287341134.db2.gz FCGYGDKZRLLBSE-ZWNOBZJWSA-N 1 0 266.772 2.539 50 0 CFAARO C[C@H](O)c1cn(C2CC[NH+](C3CCCCCC3)CC2)nn1 ZINC000048159133 420503740 /nfs/dbraw/zinc/50/37/40/420503740.db2.gz MWICJWQJNUOKDF-ZDUSSCGKSA-N 1 0 292.427 2.691 50 0 CFAARO CCC[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccsc1 ZINC000048071009 420501142 /nfs/dbraw/zinc/50/11/42/420501142.db2.gz RQLQRCDFNASVGX-GFCCVEGCSA-N 1 0 268.426 2.827 50 0 CFAARO Cc1cc(N2CCN(C(=O)C3CC3)CC2)c2ccccc2[nH+]1 ZINC000040489120 270227120 /nfs/dbraw/zinc/22/71/20/270227120.db2.gz XGYQOZQLODGPHQ-UHFFFAOYSA-N 1 0 295.386 2.602 50 0 CFAARO C[C@@H]1CN(c2ncc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000012955443 274369197 /nfs/dbraw/zinc/36/91/97/274369197.db2.gz COHIQGNDIJOLQX-SSDOTTSWSA-N 1 0 279.693 2.552 50 0 CFAARO Cc1c(C)n(CC[NH+](C)C)c2nc3c(c(N)c12)CCCC3 ZINC000012388957 274660747 /nfs/dbraw/zinc/66/07/47/274660747.db2.gz LGINVAKBQNGPGH-UHFFFAOYSA-N 1 0 286.423 2.676 50 0 CFAARO O=C1c2cccc3c2[C@@H](CCC3)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000006094354 275031146 /nfs/dbraw/zinc/03/11/46/275031146.db2.gz CPZBLNMUGSZIPR-DOTOQJQBSA-N 1 0 296.414 2.657 50 0 fda CFAARO O=C1c2ccccc2C(=O)N1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004026538 275031270 /nfs/dbraw/zinc/03/12/70/275031270.db2.gz IJHKXSCEURLJGJ-XJKSGUPXSA-N 1 0 298.386 2.547 50 0 CFAARO OCCC[N@H+](Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000096455347 275045805 /nfs/dbraw/zinc/04/58/05/275045805.db2.gz PYPHIUMASGUVBX-SFHVURJKSA-N 1 0 282.387 2.954 50 0 CFAARO OCC[NH2+][C@H]1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000089827862 275047477 /nfs/dbraw/zinc/04/74/77/275047477.db2.gz GTHKWVVCHKRPAG-DOTOQJQBSA-N 1 0 269.344 2.833 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000003864496 275657007 /nfs/dbraw/zinc/65/70/07/275657007.db2.gz BCEGKGJNDVLJTP-AWDGRILASA-N 1 0 295.467 2.968 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000091303634 275824465 /nfs/dbraw/zinc/82/44/65/275824465.db2.gz AZHAFTKTFKUDGE-STQMWFEESA-N 1 0 268.401 2.776 50 0 CFAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C)cc1F ZINC000043324535 276112232 /nfs/dbraw/zinc/11/22/32/276112232.db2.gz LBRWJRCNOPHSSI-LBPRGKRZSA-N 1 0 281.375 2.986 50 0 CFAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000251338 276562275 /nfs/dbraw/zinc/56/22/75/276562275.db2.gz QXJZZICYZZKPMO-YOEHRIQHSA-N 1 0 288.435 2.841 50 0 CFAARO COC[C@@H]1CCC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000253393297 277251654 /nfs/dbraw/zinc/25/16/54/277251654.db2.gz YZNGYNJFPLSVNR-ZBFHGGJFSA-N 1 0 263.381 2.733 50 0 CFAARO C[NH2+]C[C@H](c1ccc(OC)cc1)C1(O)CCCCC1 ZINC000002525884 277282903 /nfs/dbraw/zinc/28/29/03/277282903.db2.gz MKAFOJAJJMUXLW-OAHLLOKOSA-N 1 0 263.381 2.693 50 0 endogenous,world CFAARO COC(=O)CCCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000225519480 277315515 /nfs/dbraw/zinc/31/55/15/277315515.db2.gz HOSZLPBVIHSVMG-OAHLLOKOSA-N 1 0 261.365 2.949 50 0 CFAARO COc1cc2c(cc1OC)[C@@H](c1ccc(O)cc1)[NH2+]CC2 ZINC000019228464 277854860 /nfs/dbraw/zinc/85/48/60/277854860.db2.gz ZTQXEYAKPXBTSL-QGZVFWFLSA-N 1 0 285.343 2.645 50 0 CFAARO CC/C=C(/C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000065592244 278162848 /nfs/dbraw/zinc/16/28/48/278162848.db2.gz QUMCNVMVVXTKEN-SEVUFMINSA-N 1 0 266.410 2.823 50 0 CFAARO CC(C)(C)CC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000085473148 278304289 /nfs/dbraw/zinc/30/42/89/278304289.db2.gz SKKRAUQYTBGRHX-AWEZNQCLSA-N 1 0 298.496 2.853 50 0 CFAARO CC(C)(C)CN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082134181 278325145 /nfs/dbraw/zinc/32/51/45/278325145.db2.gz LHXJWRFDIUDSFR-UHFFFAOYSA-N 1 0 287.407 2.613 50 0 CFAARO C[C@@H](c1ccc(-c2nc(N(C)C)n(C)n2)cc1)[NH+]1CCCC1 ZINC000426728286 278411268 /nfs/dbraw/zinc/41/12/68/278411268.db2.gz NPZFHGFEGBNKFR-ZDUSSCGKSA-N 1 0 299.422 2.705 50 0 CFAARO Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)o1 ZINC000025330363 278646153 /nfs/dbraw/zinc/64/61/53/278646153.db2.gz ACURFNWGHXSFIE-AWEZNQCLSA-N 1 0 292.404 2.991 50 0 CFAARO CCOC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000000757778 279570268 /nfs/dbraw/zinc/57/02/68/279570268.db2.gz AGBGGHRFDZPEFJ-JSGCOSHPSA-N 1 0 268.401 2.776 50 0 CFAARO Cc1c2ccccc2sc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000299742401 280274963 /nfs/dbraw/zinc/27/49/63/280274963.db2.gz HRINAXHIOSMQKC-NSHDSACASA-N 1 0 274.389 2.773 50 0 CFAARO CC[C@H]1C[N@H+](CCSC(C)(C)C)C[C@@]2(CCOC2)O1 ZINC000252489599 288289877 /nfs/dbraw/zinc/28/98/77/288289877.db2.gz JUQMONLPBJRHHO-DZGCQCFKSA-N 1 0 287.469 2.788 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(C)c(Cl)c2)C1 ZINC000255026879 281084417 /nfs/dbraw/zinc/08/44/17/281084417.db2.gz QWLJLWBWWPQYMB-GXMNPTEKSA-N 1 0 292.810 2.730 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000255473259 281098615 /nfs/dbraw/zinc/09/86/15/281098615.db2.gz GHNVCJXVIRTCJV-WYEHYUNLSA-N 1 0 285.174 2.566 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1C ZINC000070173341 281189942 /nfs/dbraw/zinc/18/99/42/281189942.db2.gz PSKRVMRKJQQWGT-UONOGXRCSA-N 1 0 260.381 2.503 50 0 CFAARO C[NH+](C)CCOC(=O)C12C[C@@H]3CC(C[C@@H](C3)C1)CC2 ZINC000000242970 289165217 /nfs/dbraw/zinc/16/52/17/289165217.db2.gz UDELJQZYKSBDHL-MHXRYWECSA-N 1 0 265.397 2.698 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000156300057 298997038 /nfs/dbraw/zinc/99/70/38/298997038.db2.gz PZWFYXOOAPAOAD-QWRGUYRKSA-N 1 0 295.452 2.640 50 0 CFAARO Cc1cccc(C)c1Oc1ncccc1C[NH2+][C@H](C)CO ZINC000067908653 301978038 /nfs/dbraw/zinc/97/80/38/301978038.db2.gz VDWWWGIWEZEJFV-CQSZACIVSA-N 1 0 286.375 2.961 50 0 CFAARO FC(F)(F)COCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000225635760 303115059 /nfs/dbraw/zinc/11/50/59/303115059.db2.gz XVUSCYGILOOOLG-NSHDSACASA-N 1 0 281.318 2.504 50 0 CFAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OC ZINC000006870251 327730055 /nfs/dbraw/zinc/73/00/55/327730055.db2.gz MNAACWAHGKUFQQ-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO c1coc(C[N@H+](Cc2ccccn2)C[C@@H]2CCOC2)c1 ZINC000243919620 328042151 /nfs/dbraw/zinc/04/21/51/328042151.db2.gz BPULISQAPGSPCB-AWEZNQCLSA-N 1 0 272.348 2.713 50 0 CFAARO OCC1(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CCCC1 ZINC000534578699 328311110 /nfs/dbraw/zinc/31/11/10/328311110.db2.gz NHJNYOMJCPHKMI-OAHLLOKOSA-N 1 0 292.398 2.547 50 0 CFAARO [NH3+]Cc1cccnc1-c1ccc(F)c2cccnc21 ZINC000534633629 328332519 /nfs/dbraw/zinc/33/25/19/328332519.db2.gz YVJVZQFOHNMHCS-UHFFFAOYSA-N 1 0 253.280 2.895 50 0 CFAARO c1cn(CC2(C[NH2+][C@H]3CCN(c4ccccc4)C3)CC2)cn1 ZINC000534652473 328337892 /nfs/dbraw/zinc/33/78/92/328337892.db2.gz CQEGDTLBJKFQJW-INIZCTEOSA-N 1 0 296.418 2.532 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CC(=O)NCCCOC1CCCCC1 ZINC000534648494 328343213 /nfs/dbraw/zinc/34/32/13/328343213.db2.gz OIKSYDBZVWECRF-HNNXBMFYSA-N 1 0 296.455 2.716 50 0 CFAARO COc1ccnc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000534648390 328343420 /nfs/dbraw/zinc/34/34/20/328343420.db2.gz LGFHAKOXSRBOCI-ZDUSSCGKSA-N 1 0 290.411 2.552 50 0 CFAARO C[NH+](C)C1(CNC(=O)C[C@H]2CC2(F)F)CCCCCC1 ZINC000534660447 328339180 /nfs/dbraw/zinc/33/91/80/328339180.db2.gz NARCAVPWEZWXBZ-LBPRGKRZSA-N 1 0 288.382 2.803 50 0 CFAARO Fc1ccc(F)c(C2([NH2+][C@H]3CCCOC3)CC2)c1 ZINC000534655253 328339620 /nfs/dbraw/zinc/33/96/20/328339620.db2.gz WDUYGOIUZCIGAU-NSHDSACASA-N 1 0 253.292 2.723 50 0 CFAARO COCC[C@@H](C)[NH2+]Cc1cc(-c2ccccc2OC)no1 ZINC000534666313 328345378 /nfs/dbraw/zinc/34/53/78/328345378.db2.gz ZKHDHRMMWSDJNZ-GFCCVEGCSA-N 1 0 290.363 2.865 50 0 CFAARO C[C@H](Cn1cncn1)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534662643 328350340 /nfs/dbraw/zinc/35/03/40/328350340.db2.gz DCHGWMGNCBPYOK-GFCCVEGCSA-N 1 0 290.798 2.685 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1(N(C)C)CCOCC1 ZINC000152582358 323627248 /nfs/dbraw/zinc/62/72/48/323627248.db2.gz JQXGZUNGYXCGGB-JKSUJKDBSA-N 1 0 280.456 2.679 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000190035105 324036248 /nfs/dbraw/zinc/03/62/48/324036248.db2.gz BOSTUVDLPYWVAS-AEJSXWLSSA-N 1 0 271.348 2.564 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CCn1cnnc1C1CC1)[C@@H](C)C2 ZINC000195553762 324108782 /nfs/dbraw/zinc/10/87/82/324108782.db2.gz JKZKPAJQTPSYIW-SUMWQHHRSA-N 1 0 296.418 2.987 50 0 CFAARO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCC(c2nncn2C)CC1 ZINC000195575792 324109485 /nfs/dbraw/zinc/10/94/85/324109485.db2.gz XSPSGNDQEZXMNZ-ZBFHGGJFSA-N 1 0 288.439 2.987 50 0 CFAARO CC(C)c1nnc(C[NH+]2CCc3ccccc3CC2)o1 ZINC000071909399 327106364 /nfs/dbraw/zinc/10/63/64/327106364.db2.gz APRMIWXJIDBHNI-UHFFFAOYSA-N 1 0 271.364 2.794 50 0 CFAARO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000096476947 533977789 /nfs/dbraw/zinc/97/77/89/533977789.db2.gz MLAUCBIEPJLWHD-QWRGUYRKSA-N 1 0 268.382 2.630 50 0 CFAARO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000005577896 534086341 /nfs/dbraw/zinc/08/63/41/534086341.db2.gz CKDSLRYVWLKERY-HZPDHXFCSA-N 1 0 277.408 2.918 50 0 CFAARO Cc1ccc(C[C@@H]([NH2+]Cc2ccnn2C)C2CC2)cc1 ZINC000097016526 534130848 /nfs/dbraw/zinc/13/08/48/534130848.db2.gz RYBVVSVYPHCCIH-QGZVFWFLSA-N 1 0 269.392 2.839 50 0 CFAARO CS[C@@H](C)C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000069632992 518174587 /nfs/dbraw/zinc/17/45/87/518174587.db2.gz KBUJMPVQBSTYGX-GXTWGEPZSA-N 1 0 279.405 2.556 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@@H+]2CCCSCC2)cc1C ZINC000096490467 534380157 /nfs/dbraw/zinc/38/01/57/534380157.db2.gz DUPCFXYEGYEMJX-NSHDSACASA-N 1 0 283.393 2.875 50 0 CFAARO Fc1ccc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CCSC2)cc1F ZINC000096493559 534492736 /nfs/dbraw/zinc/49/27/36/534492736.db2.gz FGBOGUBBDCVFKJ-HONMWMINSA-N 1 0 285.359 2.890 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 ZINC000179006230 522089797 /nfs/dbraw/zinc/08/97/97/522089797.db2.gz WQPXIDBMJGSSDP-CQSZACIVSA-N 1 0 297.402 2.533 50 0 CFAARO Cc1ccc(CCCC(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000156933048 524307437 /nfs/dbraw/zinc/30/74/37/524307437.db2.gz KYBBOXHVVVABCF-WFASDCNBSA-N 1 0 294.464 2.965 50 0 CFAARO Cc1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC000055142207 524965374 /nfs/dbraw/zinc/96/53/74/524965374.db2.gz VTMYMZSVZFMNCZ-OAHLLOKOSA-N 1 0 262.422 2.623 50 0 CFAARO CS[C@@H]1CCC[C@@H](NC(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000253429766 525827326 /nfs/dbraw/zinc/82/73/26/525827326.db2.gz DFZLDJKEVSWCGB-NWANDNLSSA-N 1 0 298.496 2.803 50 0 CFAARO Cc1cnc(SCC[C@H]2CCCC[N@H+]2C)nc1 ZINC000340675799 526102156 /nfs/dbraw/zinc/10/21/56/526102156.db2.gz LSOPNOZYANHBLR-GFCCVEGCSA-N 1 0 251.399 2.752 50 0 CFAARO Cc1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000062670949 526220133 /nfs/dbraw/zinc/22/01/33/526220133.db2.gz LFVYNRZLHJOAEZ-UHFFFAOYSA-N 1 0 279.343 2.597 50 0 CFAARO Cc1c[nH+]ccc1N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000191981742 526235492 /nfs/dbraw/zinc/23/54/92/526235492.db2.gz KJQSUNXPDXGAAD-INIZCTEOSA-N 1 0 290.407 2.945 50 0 CFAARO Fc1cc2cccnc2c(CN2CC[NH+](C3CC3)CC2)c1 ZINC000084493635 526312282 /nfs/dbraw/zinc/31/22/82/526312282.db2.gz ZTSYAVDKIXSZNV-UHFFFAOYSA-N 1 0 285.366 2.654 50 0 CFAARO C1=C(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CCOC1 ZINC000096493478 526417617 /nfs/dbraw/zinc/41/76/17/526417617.db2.gz HDNKLVPEOASEJJ-XHSDSOJGSA-N 1 0 277.408 2.661 50 0 CFAARO C1=C[C@@H]([NH+]2CCC(OC3CCOCC3)CC2)CCC1 ZINC000098012708 526420224 /nfs/dbraw/zinc/42/02/24/526420224.db2.gz RYPKNNOSADHMTE-CQSZACIVSA-N 1 0 265.397 2.755 50 0 CFAARO [NH3+]Cc1cc(C(=O)N(CC2CC2)c2ccccc2)ccn1 ZINC000361619482 527245797 /nfs/dbraw/zinc/24/57/97/527245797.db2.gz GJBHCQRDHDEIHE-UHFFFAOYSA-N 1 0 281.359 2.597 50 0 CFAARO CCCC[N+]1=C(C)c2cc(OC)c(OC)cc2CC1 ZINC000001788034 529007930 /nfs/dbraw/zinc/00/79/30/529007930.db2.gz GXKLATLBYZXHTB-UHFFFAOYSA-N 1 0 262.373 2.882 50 0 CFAARO CC[C@H](C)[C@H](C)[NH2+]CCC1CCN(C(C)=O)CC1 ZINC000096479237 529241929 /nfs/dbraw/zinc/24/19/29/529241929.db2.gz MJEHUZBEUSBKCA-STQMWFEESA-N 1 0 254.418 2.659 50 0 CFAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000048784915 545525563 /nfs/dbraw/zinc/52/55/63/545525563.db2.gz BOWRRCVYDIGHBW-UHFFFAOYSA-N 1 0 298.390 2.901 50 0 CFAARO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H](O)c1ccncc1 ZINC000090713129 566954715 /nfs/dbraw/zinc/95/47/15/566954715.db2.gz CNRSICPTHKVGEL-PBHICJAKSA-N 1 0 270.376 2.644 50 0 CFAARO CC(C)Oc1ccc(-c2c[nH]cc2CN(C)CC[NH3+])cc1 ZINC000263620427 574102494 /nfs/dbraw/zinc/10/24/94/574102494.db2.gz FMTVWAGUJRUAKE-UHFFFAOYSA-N 1 0 287.407 2.859 50 0 in-vitro CFAARO [NH3+]Cc1cc(-c2ccc(N3CCCC3)nc2)cs1 ZINC000935618613 649923092 /nfs/dbraw/zinc/92/30/92/649923092.db2.gz MAKKWXPIQVCQBW-UHFFFAOYSA-N 1 0 259.378 2.869 50 0 CFAARO CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]2CC1 ZINC000946419867 613503627 /nfs/dbraw/zinc/50/36/27/613503627.db2.gz YFCSODKUGYJIJK-GASCZTMLSA-N 1 0 290.382 2.516 50 0 CFAARO CCCC[C@@H](c1cccnc1)N(C)C(=O)C[NH+]1CCCC1 ZINC000952966984 614478961 /nfs/dbraw/zinc/47/89/61/614478961.db2.gz XZBJOJHALQHIGM-INIZCTEOSA-N 1 0 289.423 2.867 50 0 CFAARO CCCCc1nc(CNC[C@@H]2CCCC[N@@H+]2CC)c[nH]1 ZINC000952973758 614491036 /nfs/dbraw/zinc/49/10/36/614491036.db2.gz DOZDGAJISHAIIR-HNNXBMFYSA-N 1 0 278.444 2.716 50 0 CFAARO CCCCc1ncc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)[nH]1 ZINC000952987348 614491205 /nfs/dbraw/zinc/49/12/05/614491205.db2.gz LNZCWHKMDGDSRU-UHFFFAOYSA-N 1 0 299.378 2.624 50 0 CFAARO CCCCN(C(=O)[C@@H]1CC[NH2+]1)C1CCCCCC1 ZINC000952990790 614946755 /nfs/dbraw/zinc/94/67/55/614946755.db2.gz ZEMQHHJEKBUIEH-AWEZNQCLSA-N 1 0 252.402 2.700 50 0 CFAARO C[NH+](C)Cc1ccc(-c2noc(-c3coc(CO)c3)n2)cc1 ZINC000888095481 619131048 /nfs/dbraw/zinc/13/10/48/619131048.db2.gz INCXBMNOWLZSIB-UHFFFAOYSA-N 1 0 299.330 2.551 50 0 CFAARO c1oc2ccccc2c1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000261926792 619321095 /nfs/dbraw/zinc/32/10/95/619321095.db2.gz CIKKSEZYLHRSAO-QGZVFWFLSA-N 1 0 293.370 2.974 50 0 CFAARO COCc1cc(C[NH2+][C@H](C)c2ccnn2C)ccc1F ZINC000192881914 620045649 /nfs/dbraw/zinc/04/56/49/620045649.db2.gz IOJMOTGARGXIOX-LLVKDONJSA-N 1 0 277.343 2.556 50 0 CFAARO C[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H]([C@@H](O)c2ccccc2)C1 ZINC000008612852 620383703 /nfs/dbraw/zinc/38/37/03/620383703.db2.gz BGKCTMYJKSVGSD-QYZOEREBSA-N 1 0 297.398 2.560 50 0 CFAARO C[C@@H](c1cccc(F)c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000056284253 622978399 /nfs/dbraw/zinc/97/83/99/622978399.db2.gz ZYJOMOIPTOSKBK-LBPRGKRZSA-N 1 0 290.382 2.877 50 0 CFAARO C[N@H+](CCC1CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000173372307 623344881 /nfs/dbraw/zinc/34/48/81/623344881.db2.gz QXOHQRLOJMOBSK-OAHLLOKOSA-N 1 0 258.365 2.524 50 0 CFAARO Cc1ccc(-c2noc([C@H]3CN(C)C[C@H](C)O3)n2)cc1F ZINC000874434706 624453433 /nfs/dbraw/zinc/45/34/33/624453433.db2.gz AQKUJKMRXDAMHF-GXFFZTMASA-N 1 0 291.326 2.576 50 0 CFAARO C[C@@H]1C[C@H](C)C[NH2+][C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757211139 630883291 /nfs/dbraw/zinc/88/32/91/630883291.db2.gz JOHIBZFLEHXBNV-KQSJRHEJSA-N 1 0 264.335 2.551 50 0 CFAARO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)C1(Cl)CC1 ZINC000863984628 637832759 /nfs/dbraw/zinc/83/27/59/637832759.db2.gz XHQFIAHMTPVGGE-JSGCOSHPSA-N 1 0 267.800 2.902 50 0 CFAARO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)C1(Cl)CC1 ZINC000863984662 637833326 /nfs/dbraw/zinc/83/33/26/637833326.db2.gz YADZWRHTWOKVCY-SNVBAGLBSA-N 1 0 286.828 2.618 50 0 CFAARO COc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1F ZINC000192955009 650611879 /nfs/dbraw/zinc/61/18/79/650611879.db2.gz DHLPKDNSQKBKKX-LBPRGKRZSA-N 1 0 289.354 2.557 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2ccc(F)cc2)n1 ZINC000952962340 650790084 /nfs/dbraw/zinc/79/00/84/650790084.db2.gz DQQIMZXBTSHMRD-CYBMUJFWSA-N 1 0 275.371 2.860 50 0 CFAARO Nc1ncccc1CNCC1([NH+]2CCCCC2)CCCC1 ZINC000952990739 650791611 /nfs/dbraw/zinc/79/16/11/650791611.db2.gz XYLINDAVOIIYRX-UHFFFAOYSA-N 1 0 288.439 2.552 50 0 CFAARO c1ccc2cc(-c3ccc(N4CC[NH2+]CC4)nn3)ccc2c1 ZINC000826814947 647816619 /nfs/dbraw/zinc/81/66/19/647816619.db2.gz SPMLQBULYWHVTG-UHFFFAOYSA-N 1 0 290.370 2.706 50 0 CFAARO CN(C(=O)c1ccc2ccccc2c1O)[C@H]1CCC[N@H+](C)C1 ZINC000123392453 647835411 /nfs/dbraw/zinc/83/54/11/647835411.db2.gz BUOIXNHTVJDKIA-AWEZNQCLSA-N 1 0 298.386 2.712 50 0 CFAARO COc1ccccc1OCCOCC[NH+]1CCCCC1 ZINC000016666905 651257950 /nfs/dbraw/zinc/25/79/50/651257950.db2.gz BFGDVIJNOXNIGI-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO C[C@@]1(CO)CCC[N@H+](Cc2cccc(-c3ncc[nH]3)c2)C1 ZINC000020587297 651299861 /nfs/dbraw/zinc/29/98/61/651299861.db2.gz BHRLTQPAZLROSW-QGZVFWFLSA-N 1 0 285.391 2.671 50 0 CFAARO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000675009932 775980419 /nfs/dbraw/zinc/98/04/19/775980419.db2.gz AVLAJQQNNYIGIA-SOLBZPMBSA-N 1 0 287.403 2.868 50 0 CFAARO OCC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000137599118 777685216 /nfs/dbraw/zinc/68/52/16/777685216.db2.gz XVFMCGHZJWLOAW-UHFFFAOYSA-N 1 0 296.414 2.904 50 0 CFAARO Cc1ccc2[nH]c(C[NH2+][C@H]3CC[C@@H](O)C3)cc2c1C ZINC000353016941 779538473 /nfs/dbraw/zinc/53/84/73/779538473.db2.gz JWGSNEQPUVDRIE-GXTWGEPZSA-N 1 0 258.365 2.788 50 0 CFAARO c1csc(CN2CCC([NH2+][C@@H]3CCSC3)CC2)c1 ZINC000820430497 781867345 /nfs/dbraw/zinc/86/73/45/781867345.db2.gz SFBKWDDTILCLDK-CYBMUJFWSA-N 1 0 282.478 2.808 50 0 CFAARO Cc1ccccc1O[C@H](C)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000096437231 230372074 /nfs/dbraw/zinc/37/20/74/230372074.db2.gz NUZMJZXGLIIAKT-RHSMWYFYSA-N 1 0 298.386 2.579 50 0 CFAARO C[C@H](C[C@@H](O)c1cccs1)[NH2+]Cc1ccccn1 ZINC000096486391 230381865 /nfs/dbraw/zinc/38/18/65/230381865.db2.gz DCLBDHALTPNTGC-DGCLKSJQSA-N 1 0 262.378 2.745 50 0 CFAARO Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000096492019 230383131 /nfs/dbraw/zinc/38/31/31/230383131.db2.gz OGCHIBGUCODWEP-CQSZACIVSA-N 1 0 290.407 2.647 50 0 CFAARO Cc1cnn(-c2cc[nH+]cc2NCc2scnc2C)c1 ZINC000096493839 230383321 /nfs/dbraw/zinc/38/33/21/230383321.db2.gz AVZGLBSRVWLQIX-UHFFFAOYSA-N 1 0 285.376 2.953 50 0 CFAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(CO)c2)cc1 ZINC000096493937 230383672 /nfs/dbraw/zinc/38/36/72/230383672.db2.gz RQJBDZCBZMYZIC-KDOFPFPSSA-N 1 0 285.387 2.872 50 0 CFAARO O[C@@H](C[NH2+][C@H]1CSCc2ccccc21)c1ccco1 ZINC000097016497 230386304 /nfs/dbraw/zinc/38/63/04/230386304.db2.gz GYACGJVDCDVJQY-KBPBESRZSA-N 1 0 275.373 2.891 50 0 CFAARO COc1cc(NC(=O)NCC[C@H]2CCC[N@@H+]2C)ccc1C ZINC000095504264 185000287 /nfs/dbraw/zinc/00/02/87/185000287.db2.gz HWRPBXMTHVRAQM-CQSZACIVSA-N 1 0 291.395 2.609 50 0 CFAARO Cc1cc2cccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)c2o1 ZINC000095518453 185002295 /nfs/dbraw/zinc/00/22/95/185002295.db2.gz QTFMAAZXJLLZLH-ZDUSSCGKSA-N 1 0 287.363 2.909 50 0 CFAARO [NH3+]C1CC(c2cc(NCc3cccnc3)nc(C3CC3)n2)C1 ZINC000222798764 230398617 /nfs/dbraw/zinc/39/86/17/230398617.db2.gz IUIHLTGVSUHXLM-UHFFFAOYSA-N 1 0 295.390 2.566 50 0 CFAARO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 ZINC000095616978 185016079 /nfs/dbraw/zinc/01/60/79/185016079.db2.gz POBHRISOEYFBNZ-GFCCVEGCSA-N 1 0 260.724 2.664 50 0 CFAARO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095725483 185021742 /nfs/dbraw/zinc/02/17/42/185021742.db2.gz JYKKEFNKRYSTNF-AWEZNQCLSA-N 1 0 261.365 2.850 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC000095743204 185024795 /nfs/dbraw/zinc/02/47/95/185024795.db2.gz OWZXTCUXFLJUDF-AWEZNQCLSA-N 1 0 254.374 2.530 50 0 CFAARO CC1(CC[NH2+][C@@H]2CCCOc3ccccc32)OCCO1 ZINC000095940602 185036447 /nfs/dbraw/zinc/03/64/47/185036447.db2.gz ODTSPHQIVHGBBG-CQSZACIVSA-N 1 0 277.364 2.643 50 0 CFAARO CSC[C@](C)(O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000095968281 185046218 /nfs/dbraw/zinc/04/62/18/185046218.db2.gz UJERFHWRWFALCN-ZIAGYGMSSA-N 1 0 269.385 2.517 50 0 CFAARO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCc2ccccc2C1 ZINC000095971130 185048754 /nfs/dbraw/zinc/04/87/54/185048754.db2.gz HZPYQRUWTYKZIS-SFHVURJKSA-N 1 0 294.398 2.775 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)OC)CC2 ZINC000095973599 185050384 /nfs/dbraw/zinc/05/03/84/185050384.db2.gz VASSTQCDEFTGQA-CQSZACIVSA-N 1 0 263.381 2.567 50 0 CFAARO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCNC1=O ZINC000095978650 185051862 /nfs/dbraw/zinc/05/18/62/185051862.db2.gz MSFGSTNZMSWQBC-GFCCVEGCSA-N 1 0 287.190 2.704 50 0 CFAARO Cc1csc(C[NH2+][C@@H](C)C[C@@H](O)c2ccco2)n1 ZINC000095978184 185052043 /nfs/dbraw/zinc/05/20/43/185052043.db2.gz CPPJVQHEZOFSOH-GXSJLCMTSA-N 1 0 266.366 2.646 50 0 CFAARO COCCn1nc(C)c([C@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000095982185 185054053 /nfs/dbraw/zinc/05/40/53/185054053.db2.gz CBGDRGFMBAVKJL-FZMZJTMJSA-N 1 0 297.468 2.693 50 0 CFAARO OCC[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000095984990 185054967 /nfs/dbraw/zinc/05/49/67/185054967.db2.gz XJWFUNRCEKHDAD-JTQLQIEISA-N 1 0 267.678 2.915 50 0 CFAARO C[C@H]([NH2+]CC(N)=O)c1ccccc1Oc1ccccc1 ZINC000095984755 185055121 /nfs/dbraw/zinc/05/51/21/185055121.db2.gz LVCLBYPSYQMWMK-LBPRGKRZSA-N 1 0 270.332 2.615 50 0 CFAARO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccc(-c2ccncc2)cc1 ZINC000095985740 185055603 /nfs/dbraw/zinc/05/56/03/185055603.db2.gz SOUCPGLBKUHVKL-ZDUSSCGKSA-N 1 0 295.386 2.678 50 0 CFAARO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000096001641 185061970 /nfs/dbraw/zinc/06/19/70/185061970.db2.gz BOGZFVRGFUNZEY-BFHYXJOUSA-N 1 0 298.427 2.543 50 0 CFAARO c1csc(C2([NH2+]C[C@@H]3CCOC3)CCCC2)n1 ZINC000083214735 178357181 /nfs/dbraw/zinc/35/71/81/178357181.db2.gz WVTNTOLPAJFZBP-NSHDSACASA-N 1 0 252.383 2.539 50 0 CFAARO CC[N@@H+]1CC[C@@H](c2nc(-c3ccncc3)nn2C(C)C)C1 ZINC000096148108 185106936 /nfs/dbraw/zinc/10/69/36/185106936.db2.gz NARJJSDQFKDVJU-CQSZACIVSA-N 1 0 285.395 2.730 50 0 CFAARO OC[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC000125363682 187180963 /nfs/dbraw/zinc/18/09/63/187180963.db2.gz QHRWAIAEEHRRBY-ZBFHGGJFSA-N 1 0 269.429 2.867 50 0 CFAARO CC(=O)N[C@H]1CCC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC000097033841 185155615 /nfs/dbraw/zinc/15/56/15/185155615.db2.gz HLNWPYDVTZYJPS-INIZCTEOSA-N 1 0 274.408 2.565 50 0 CFAARO CCc1sc([C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O)cc1C ZINC000097033444 185156064 /nfs/dbraw/zinc/15/60/64/185156064.db2.gz VHZVODPBWVGMGD-GHMZBOCLSA-N 1 0 289.466 2.703 50 0 CFAARO O=C1NCC[C@@H]1[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000097034249 185157751 /nfs/dbraw/zinc/15/77/51/185157751.db2.gz QIITXZNLHOHVHD-QWHCGFSZSA-N 1 0 298.308 2.635 50 0 CFAARO CCC(CC)N(CC(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000093310774 282177401 /nfs/dbraw/zinc/17/74/01/282177401.db2.gz DHEFNHHAJBRKQK-QWHCGFSZSA-N 1 0 254.418 2.787 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2c[nH]nc2-c2cccc(C)c2)c1 ZINC000070040914 346905332 /nfs/dbraw/zinc/90/53/32/346905332.db2.gz AEFSCZKZXDSABN-UHFFFAOYSA-N 1 0 295.390 2.680 50 0 CFAARO CSc1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000000209969 539376709 /nfs/dbraw/zinc/37/67/09/539376709.db2.gz RZUHXZACPYLNOG-ZDUSSCGKSA-N 1 0 251.395 2.755 50 0 CFAARO C[NH2+]CCOc1ccc(Br)cc1Cl ZINC000002845348 529979115 /nfs/dbraw/zinc/97/91/15/529979115.db2.gz DSHKQJGSEWWPRK-UHFFFAOYSA-N 1 0 264.550 2.701 50 0 CFAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnc(C2CC2)s1 ZINC000075583843 347085586 /nfs/dbraw/zinc/08/55/86/347085586.db2.gz WDWKWMQEYWHYLJ-GFCCVEGCSA-N 1 0 295.452 2.727 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)no1 ZINC000097048972 185514699 /nfs/dbraw/zinc/51/46/99/185514699.db2.gz GNDKAQYCCIUCNK-QWHCGFSZSA-N 1 0 287.363 2.703 50 0 CFAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(F)(F)F ZINC000005730637 346212362 /nfs/dbraw/zinc/21/23/62/346212362.db2.gz BUKDWQICSAAFJH-DGCLKSJQSA-N 1 0 298.308 2.692 50 0 CFAARO Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)o1 ZINC000015856024 346236630 /nfs/dbraw/zinc/23/66/30/346236630.db2.gz FCEZRVAYGBUMMC-UHFFFAOYSA-N 1 0 278.396 2.572 50 0 CFAARO O=C(c1ccccc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000032229058 346301322 /nfs/dbraw/zinc/30/13/22/346301322.db2.gz LTUBYWMAICEYCD-MRXNPFEDSA-N 1 0 272.392 2.777 50 0 CFAARO S=C1NC2(CC[NH2+]CC2)N=C1c1ccc(Cl)cc1 ZINC000085345602 179028271 /nfs/dbraw/zinc/02/82/71/179028271.db2.gz UIWYUTWNKLOXIE-UHFFFAOYSA-N 1 0 279.796 2.551 50 0 CFAARO CN(CCCCc1ccccc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368729 179038690 /nfs/dbraw/zinc/03/86/90/179038690.db2.gz JIQWYNKMCRVSCS-JKSUJKDBSA-N 1 0 274.408 2.595 50 0 CFAARO C[NH2+]C[C@H](C)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000048533355 346474811 /nfs/dbraw/zinc/47/48/11/346474811.db2.gz AONRUTIUKXIKAZ-YJBOKZPZSA-N 1 0 269.388 2.972 50 0 CFAARO Cc1ccsc1C[NH+]1CCC(c2nc(C)n[nH]2)CC1 ZINC000065287286 346732556 /nfs/dbraw/zinc/73/25/56/346732556.db2.gz JGTLALGITBLBPV-UHFFFAOYSA-N 1 0 276.409 2.863 50 0 CFAARO CCc1cccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066157966 346748900 /nfs/dbraw/zinc/74/89/00/346748900.db2.gz UOINDURQDDFWJV-INIZCTEOSA-N 1 0 287.407 2.951 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1 ZINC000076056495 347116544 /nfs/dbraw/zinc/11/65/44/347116544.db2.gz ORRGCMLJAALSQA-JKIFEVAISA-N 1 0 286.419 2.984 50 0 CFAARO Clc1cncc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000076062998 347117807 /nfs/dbraw/zinc/11/78/07/347117807.db2.gz VLFBTKUZPQCSJI-SNVBAGLBSA-N 1 0 266.776 2.559 50 0 CFAARO CC[C@@H]1[C@@H](c2ccc(C)cc2)CC[N@@H+]1CCS(C)(=O)=O ZINC000076109598 347120605 /nfs/dbraw/zinc/12/06/05/347120605.db2.gz IWYKNTXKYRUWQT-HZPDHXFCSA-N 1 0 295.448 2.608 50 0 CFAARO CS[C@H]1CCC[C@@H]1[N@H+](C)CCc1ccccn1 ZINC000076147679 347125211 /nfs/dbraw/zinc/12/52/11/347125211.db2.gz AVULZBVBSGDUSY-KBPBESRZSA-N 1 0 250.411 2.840 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)[C@H](C)C1 ZINC000078897662 347278585 /nfs/dbraw/zinc/27/85/85/347278585.db2.gz WEJLMXGLJYXNON-RHSMWYFYSA-N 1 0 288.435 2.986 50 0 CFAARO C[NH+](C)[C@@H](CNc1ncccc1F)c1cccs1 ZINC000084482692 347464569 /nfs/dbraw/zinc/46/45/69/347464569.db2.gz KTTGBHVWJDYKFE-NSHDSACASA-N 1 0 265.357 2.997 50 0 CFAARO C[C@H]([NH2+]CCSc1ccccc1)[C@H]1CCOC1 ZINC000128560793 187376872 /nfs/dbraw/zinc/37/68/72/187376872.db2.gz ZVXRJTBOIOVCGY-STQMWFEESA-N 1 0 251.395 2.793 50 0 CFAARO CC(C)(C)c1cn2c(n1)[C@H](C[NH2+]Cc1ncc[nH]1)CCC2 ZINC000089725138 347526679 /nfs/dbraw/zinc/52/66/79/347526679.db2.gz ANLICJJEOHRKSM-LBPRGKRZSA-N 1 0 287.411 2.571 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)C[N@@H+](C)C[C@@H]1CC ZINC000095882804 347699112 /nfs/dbraw/zinc/69/91/12/347699112.db2.gz VFVRCUAINDTTOF-XJKSGUPXSA-N 1 0 261.365 2.807 50 0 CFAARO COC(=O)CC[N@H+](C)[C@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000096027323 347700390 /nfs/dbraw/zinc/70/03/90/347700390.db2.gz NSPIHLJDVJDQKM-HOTGVXAUSA-N 1 0 291.391 2.872 50 0 CFAARO CCOC(=O)[C@]1([NH+]2CCCCC2)CCCC[C@@H]1C ZINC000096026488 347700630 /nfs/dbraw/zinc/70/06/30/347700630.db2.gz NWZRDHYUYXTYJP-ZFWWWQNUSA-N 1 0 253.386 2.984 50 0 CFAARO COc1ccc2c(c1)OC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C2 ZINC000097231106 347707863 /nfs/dbraw/zinc/70/78/63/347707863.db2.gz YAJDBMRSEQFPDR-LALPHHSUSA-N 1 0 291.391 2.544 50 0 CFAARO Cc1cccc([C@H](O)C[NH2+][C@@H]2CCCSC2)c1 ZINC000097370971 347708673 /nfs/dbraw/zinc/70/86/73/347708673.db2.gz AUMRBVHWBZDACR-ZIAGYGMSSA-N 1 0 251.395 2.514 50 0 CFAARO CN(Cc1ccc2c(c1)OCO2)Cc1c[nH+]ccc1N(C)C ZINC000097377056 347709285 /nfs/dbraw/zinc/70/92/85/347709285.db2.gz ZSVGOXNIPBIFBB-UHFFFAOYSA-N 1 0 299.374 2.508 50 0 CFAARO Cc1ncsc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000093388111 347672239 /nfs/dbraw/zinc/67/22/39/347672239.db2.gz ZREHGXJZBPQZBH-OAHLLOKOSA-N 1 0 288.416 2.933 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@H+]2[C@H](C)c2cccnc2)n1 ZINC000106908036 347733428 /nfs/dbraw/zinc/73/34/28/347733428.db2.gz ADJDLQBEQVLNMY-MLGOLLRUSA-N 1 0 285.395 2.516 50 0 CFAARO CC(C)c1cccc(C[NH2+][C@H]2CCCC[C@H]2CO)n1 ZINC000125568086 347828279 /nfs/dbraw/zinc/82/82/79/347828279.db2.gz LSCXSACDHJCMGB-BBRMVZONSA-N 1 0 262.397 2.846 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)NCCCc2ccccc2Cl)C1 ZINC000157055104 347998328 /nfs/dbraw/zinc/99/83/28/347998328.db2.gz HJSBWDDLFANDEI-QWHCGFSZSA-N 1 0 280.799 2.516 50 0 CFAARO C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000159271808 348011551 /nfs/dbraw/zinc/01/15/51/348011551.db2.gz NOMGQUVCSAJTAJ-HOTGVXAUSA-N 1 0 298.434 2.875 50 0 CFAARO CC(=O)N1CCC([C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000169789072 348052374 /nfs/dbraw/zinc/05/23/74/348052374.db2.gz BESKPMMYSPWQSM-HNNXBMFYSA-N 1 0 264.413 2.509 50 0 CFAARO CCCCCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CNC(=O)C1 ZINC000170595412 348054834 /nfs/dbraw/zinc/05/48/34/348054834.db2.gz LREAMVOATQIAJB-MGPQQGTHSA-N 1 0 252.402 2.604 50 0 CFAARO CC(=O)N1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000170598198 348055606 /nfs/dbraw/zinc/05/56/06/348055606.db2.gz DFPZNLVHLIGIRU-SFHVURJKSA-N 1 0 286.419 2.910 50 0 CFAARO C[NH+](C)C1(CC(=O)NCCc2ccccc2F)CCCC1 ZINC000170598450 348055982 /nfs/dbraw/zinc/05/59/82/348055982.db2.gz PWEORZMLIDAMCZ-UHFFFAOYSA-N 1 0 292.398 2.749 50 0 CFAARO OCc1cccc(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000170608716 348056478 /nfs/dbraw/zinc/05/64/78/348056478.db2.gz WNJNARFHHNGOQH-UHFFFAOYSA-N 1 0 297.402 2.650 50 0 CFAARO Fc1ccc(N2CC[C@H]([NH2+]C3CCC3)C2)c(F)c1 ZINC000195556429 348146275 /nfs/dbraw/zinc/14/62/75/348146275.db2.gz AECYFTQIDNASGK-LBPRGKRZSA-N 1 0 252.308 2.686 50 0 CFAARO [NH3+][C@@H](CC(=O)N1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000225575131 348178393 /nfs/dbraw/zinc/17/83/93/348178393.db2.gz KVNPBOJRHIVWSH-SJORKVTESA-N 1 0 286.419 2.738 50 0 CFAARO OC[C@@H]([NH2+]CCO[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000225531611 348178575 /nfs/dbraw/zinc/17/85/75/348178575.db2.gz IFPXGUMNGVUYPA-HUUCEWRRSA-N 1 0 299.798 2.506 50 0 CFAARO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248622919 348275051 /nfs/dbraw/zinc/27/50/51/348275051.db2.gz UEYKUYOQHGHUJN-SLEUVZQESA-N 1 0 294.370 2.618 50 0 CFAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000254833624 348302485 /nfs/dbraw/zinc/30/24/85/348302485.db2.gz IHOYJRGTARHQPB-HJPCAMOWSA-N 1 0 286.419 2.936 50 0 CFAARO COC1CCC([NH2+]C/C=C\CNC(=O)OC(C)(C)C)CC1 ZINC000309696011 348407143 /nfs/dbraw/zinc/40/71/43/348407143.db2.gz SDNCKYQJCKSHRE-WAYWQWQTSA-N 1 0 298.427 2.615 50 0 CFAARO CCc1nccn1C[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)n1 ZINC000584888429 348727965 /nfs/dbraw/zinc/72/79/65/348727965.db2.gz LQQODAVKSSNJCH-OAHLLOKOSA-N 1 0 286.423 2.978 50 0 CFAARO Cc1csc(C[NH2+][C@@H](C)CCn2ccnc2C)n1 ZINC000584888369 348728512 /nfs/dbraw/zinc/72/85/12/348728512.db2.gz FJCZXHOYXKWXRM-JTQLQIEISA-N 1 0 264.398 2.525 50 0 CFAARO COc1ccc2[nH]c(C[NH2+][C@@H]3CCCSC3)nc2c1 ZINC000584892041 348729266 /nfs/dbraw/zinc/72/92/66/348729266.db2.gz WUKLBEZRBBXRQY-SNVBAGLBSA-N 1 0 277.393 2.557 50 0 CFAARO Cc1cc(CNC(=O)[C@@H](C)[N@H+](C)C2CCCCC2)ccn1 ZINC000584900933 348732727 /nfs/dbraw/zinc/73/27/27/348732727.db2.gz OHIUAMRZFSITCT-CQSZACIVSA-N 1 0 289.423 2.659 50 0 CFAARO Fc1ccccc1[C@H](C[NH2+]C1CCOCC1)N1CCCC1 ZINC000584902008 348732806 /nfs/dbraw/zinc/73/28/06/348732806.db2.gz ZFZWESKGHWFWSL-KRWDZBQOSA-N 1 0 292.398 2.731 50 0 CFAARO CC[C@@H](C[NH+](C)C)n1cnc2c(C)c(C)ccc2c1=O ZINC000584903182 348732842 /nfs/dbraw/zinc/73/28/42/348732842.db2.gz BOSWTLBBVSRRRP-ZDUSSCGKSA-N 1 0 273.380 2.526 50 0 CFAARO OCc1ccc2c(c1)C[N@H+](C1Cc3ccccc3C1)CCO2 ZINC000584901040 348732854 /nfs/dbraw/zinc/73/28/54/348732854.db2.gz UHHOHGUGKZJURI-UHFFFAOYSA-N 1 0 295.382 2.541 50 0 CFAARO CC[C@@](C)(O)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000585137239 348736260 /nfs/dbraw/zinc/73/62/60/348736260.db2.gz NSJBMQWKKWQLKI-CYBMUJFWSA-N 1 0 268.744 2.732 50 0 CFAARO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000585141170 348737290 /nfs/dbraw/zinc/73/72/90/348737290.db2.gz QQGOSDIVRMIIEX-CHWSQXEVSA-N 1 0 295.452 2.660 50 0 CFAARO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000089729434 179856424 /nfs/dbraw/zinc/85/64/24/179856424.db2.gz URYGJABSRQZHQT-GOEBONIOSA-N 1 0 274.408 2.525 50 0 CFAARO Cc1ccc(NC(=O)CC[NH2+][C@@H]2CCO[C@H]2C)c(Cl)c1 ZINC000089669811 179844473 /nfs/dbraw/zinc/84/44/73/179844473.db2.gz OONBXFUBVRSSGW-WCQYABFASA-N 1 0 296.798 2.744 50 0 CFAARO O=C(N1CC[C@H]([NH+]2CCCC2)C1)C1(c2ccccc2)CCC1 ZINC000089827717 179871420 /nfs/dbraw/zinc/87/14/20/179871420.db2.gz RYTVQFOLYOUGML-KRWDZBQOSA-N 1 0 298.430 2.805 50 0 CFAARO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000090454501 179987997 /nfs/dbraw/zinc/98/79/97/179987997.db2.gz IIGYYSXJRBUBAI-BZNIZROVSA-N 1 0 298.390 2.576 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000090517346 179996291 /nfs/dbraw/zinc/99/62/91/179996291.db2.gz RQXJMLJYZDTQFO-OHUAYANFSA-N 1 0 259.440 2.864 50 0 CFAARO COc1ccc(C[C@H](C)C[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000090909728 180062807 /nfs/dbraw/zinc/06/28/07/180062807.db2.gz UACHWTINOAXDQS-ZENOOKHLSA-N 1 0 263.381 2.641 50 0 CFAARO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccccn1)C2 ZINC000090964698 180077407 /nfs/dbraw/zinc/07/74/07/180077407.db2.gz OEDCDHIJQSYBDY-JSGCOSHPSA-N 1 0 284.359 2.745 50 0 CFAARO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CCSC1 ZINC000091366861 180143376 /nfs/dbraw/zinc/14/33/76/180143376.db2.gz KYNYMFUVAJHYMY-FZMZJTMJSA-N 1 0 285.840 2.729 50 0 CFAARO O=c1cc(C[NH2+][C@H]2CCSC2)[nH]c2c(Cl)cccc12 ZINC000091444557 180156873 /nfs/dbraw/zinc/15/68/73/180156873.db2.gz YWWCGTCQJWVSGO-VIFPVBQESA-N 1 0 294.807 2.777 50 0 CFAARO CCn1ccnc1C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000091425379 180151796 /nfs/dbraw/zinc/15/17/96/180151796.db2.gz VEUAMDJDWOIYCX-UHFFFAOYSA-N 1 0 284.407 2.986 50 0 CFAARO Cc1[nH+]c(N)nc(N[C@H](c2cccnc2)C(C)C)c1C ZINC000091526234 180178767 /nfs/dbraw/zinc/17/87/67/180178767.db2.gz CAGDYOXTNZNVDF-ZDUSSCGKSA-N 1 0 271.368 2.880 50 0 CFAARO CCc1ccc(CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000091546319 180187163 /nfs/dbraw/zinc/18/71/63/180187163.db2.gz ZAYHDCBPOJWKJN-HOTGVXAUSA-N 1 0 286.419 2.867 50 0 CFAARO C[C@@H](Cc1ccsc1)N1CC2(CC[NH2+]CC2)CCC1=O ZINC000091663139 180219587 /nfs/dbraw/zinc/21/95/87/180219587.db2.gz KNDAEMMYGXZKJP-ZDUSSCGKSA-N 1 0 292.448 2.671 50 0 CFAARO OCc1ccc(C[C@@H]2CC[N@H+](Cc3ccoc3)C2)cc1 ZINC000091664304 180221345 /nfs/dbraw/zinc/22/13/45/180221345.db2.gz GCVOVORMBJVVNX-INIZCTEOSA-N 1 0 271.360 2.837 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000105681204 186068337 /nfs/dbraw/zinc/06/83/37/186068337.db2.gz OXIGSUOESNIEFY-CHWSQXEVSA-N 1 0 278.400 2.523 50 0 CFAARO CCCN(C(=O)c1ccc(SC)cc1)[C@H]1CC[NH2+]C1 ZINC000092232088 180348728 /nfs/dbraw/zinc/34/87/28/180348728.db2.gz WGSKIROTGWWDOV-ZDUSSCGKSA-N 1 0 278.421 2.623 50 0 CFAARO C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCCCO1 ZINC000092427380 180383700 /nfs/dbraw/zinc/38/37/00/180383700.db2.gz VMMYSXSKVOPLCK-QGZVFWFLSA-N 1 0 285.391 2.873 50 0 CFAARO Fc1cc2c3c([nH]c2c(Br)c1)CC[NH2+]C3 ZINC000215874381 539801547 /nfs/dbraw/zinc/80/15/47/539801547.db2.gz VCOSBAJILARNHJ-UHFFFAOYSA-N 1 0 269.117 2.715 50 0 CFAARO Cc1ccc(OCC[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000107695555 186187041 /nfs/dbraw/zinc/18/70/41/186187041.db2.gz IFNLMQBBIBIFOP-HNNXBMFYSA-N 1 0 263.381 2.732 50 0 CFAARO C[C@H](c1ccccn1)N(C)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000108327605 186211535 /nfs/dbraw/zinc/21/15/35/186211535.db2.gz UCNPHRAEJUFAKQ-RBSFLKMASA-N 1 0 289.423 2.579 50 0 CFAARO Cc1ccc(CCCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000108158511 186207476 /nfs/dbraw/zinc/20/74/76/186207476.db2.gz JYUPEARTTUDPCL-JKSUJKDBSA-N 1 0 288.435 2.869 50 0 CFAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(F)c1 ZINC000108480673 186220194 /nfs/dbraw/zinc/22/01/94/186220194.db2.gz REXJQLRIFMVZCE-KCPJHIHWSA-N 1 0 294.370 2.700 50 0 CFAARO COc1ccc(C[NH2+]C2CCC(O)CC2)c(Cl)c1OC ZINC000110819430 186327543 /nfs/dbraw/zinc/32/75/43/186327543.db2.gz VNOSUBSSCFOGSL-UHFFFAOYSA-N 1 0 299.798 2.750 50 0 CFAARO Cc1ccccc1CCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000111363764 186405565 /nfs/dbraw/zinc/40/55/65/186405565.db2.gz QQXANMOYPPEGQQ-MRXNPFEDSA-N 1 0 274.408 2.658 50 0 CFAARO [NH3+]C[C@H]1CCCCN1C(=O)/C=C\c1cccc2cccnc12 ZINC000606442181 351270347 /nfs/dbraw/zinc/27/03/47/351270347.db2.gz YDRJSEZREZCWEM-ZBTGYSDGSA-N 1 0 295.386 2.588 50 0 CFAARO CCc1ccc(/C(C)=C\C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000606441572 351270382 /nfs/dbraw/zinc/27/03/82/351270382.db2.gz OYBRJEBVWLTUQE-QBOMHBFWSA-N 1 0 286.419 2.720 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2cccc(Cl)c2Cl)C1 ZINC000606441275 351270518 /nfs/dbraw/zinc/27/05/18/351270518.db2.gz PWOJVMWJJGSWLP-LWTINBJPSA-N 1 0 285.174 2.566 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC000103703326 539880530 /nfs/dbraw/zinc/88/05/30/539880530.db2.gz SKBVMUNSWDQPKD-WBTMPAOCSA-N 1 0 276.380 2.529 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000134042507 187722575 /nfs/dbraw/zinc/72/25/75/187722575.db2.gz FNAOCPGAYIGZIK-HNNXBMFYSA-N 1 0 297.402 2.516 50 0 CFAARO CC(C)(C)[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000002686859 169820096 /nfs/dbraw/zinc/82/00/96/169820096.db2.gz UHWMGYFMHQHWPW-CYBMUJFWSA-N 1 0 271.788 2.606 50 0 CFAARO C[C@H](N)C[N@H+](Cc1ccccc1)C[Si](C)(C)C ZINC000409420690 539992372 /nfs/dbraw/zinc/99/23/72/539992372.db2.gz FETABIQTJHAXNZ-ZDUSSCGKSA-N 1 0 250.462 2.713 50 0 CFAARO CCCOc1ccc(Cl)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157793317 188339322 /nfs/dbraw/zinc/33/93/22/188339322.db2.gz HYSQFIFSCPCZKV-LBPRGKRZSA-N 1 0 296.798 2.692 50 0 CFAARO Cc1cc(CCCC(=O)N2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000158610102 188385688 /nfs/dbraw/zinc/38/56/88/188385688.db2.gz GUQAVZOLTPYBLQ-CQSZACIVSA-N 1 0 280.437 2.637 50 0 CFAARO O[C@H]1C[C@@H](C2CCCCC2)[N@H+](Cc2ccncc2)C1 ZINC000685939493 540020305 /nfs/dbraw/zinc/02/03/05/540020305.db2.gz XJAYRKLRCBTBSG-HOTGVXAUSA-N 1 0 260.381 2.597 50 0 CFAARO O[C@@H]1CCCC[C@H]1[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000685939706 540020352 /nfs/dbraw/zinc/02/03/52/540020352.db2.gz FSRNLNFGTHULGV-BMGDILEWSA-N 1 0 299.418 2.977 50 0 CFAARO CC(=O)c1ccc2c(c1)CC[N@H+]([C@H](C)c1cnccn1)CC2 ZINC000239653706 540042085 /nfs/dbraw/zinc/04/20/85/540042085.db2.gz BKVLCADQPZRCMQ-CYBMUJFWSA-N 1 0 295.386 2.841 50 0 CFAARO CSCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000173553779 188859553 /nfs/dbraw/zinc/85/95/53/188859553.db2.gz UNDNLBGLDVBHEY-UHFFFAOYSA-N 1 0 264.438 2.952 50 0 CFAARO Cc1ncc(C[NH2+]C[C@@H](C)N(C)C2CC2)n1-c1ccccc1 ZINC000084022218 540191932 /nfs/dbraw/zinc/19/19/32/540191932.db2.gz AZIMCQWASXGDAX-CQSZACIVSA-N 1 0 298.434 2.753 50 0 CFAARO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@]2(C)CO)cc1OC ZINC000084077139 540193106 /nfs/dbraw/zinc/19/31/06/540193106.db2.gz SJGLKBOWGYLPJH-IAGOWNOFSA-N 1 0 293.407 2.653 50 0 CFAARO Cc1cc([C@H]2CCC[N@H+](CCc3scnc3C)C2)[nH]n1 ZINC000084111225 540194361 /nfs/dbraw/zinc/19/43/61/540194361.db2.gz ORVYWQAGUQTQDD-ZDUSSCGKSA-N 1 0 290.436 2.905 50 0 CFAARO Cc1cnc(CN(C)[C@@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC000084258811 540197860 /nfs/dbraw/zinc/19/78/60/540197860.db2.gz BDYXNBISACXSQT-OAHLLOKOSA-N 1 0 277.412 2.679 50 0 CFAARO CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]Cc1occc1C ZINC000084736266 540207462 /nfs/dbraw/zinc/20/74/62/540207462.db2.gz DSWPNJDWXRIYKD-HUUCEWRRSA-N 1 0 292.423 2.961 50 0 CFAARO CC[N@H+](CCNC(=O)N(C)[C@H](C)CC(C)C)C(C)C ZINC000084774762 540208318 /nfs/dbraw/zinc/20/83/18/540208318.db2.gz IZSAKBBVOCUXPQ-CQSZACIVSA-N 1 0 271.449 2.793 50 0 CFAARO CC[NH+]1CCC(NC(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC000084789039 540208582 /nfs/dbraw/zinc/20/85/82/540208582.db2.gz VXXNUIBQEIJDLP-GFCCVEGCSA-N 1 0 278.396 2.600 50 0 CFAARO CNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000069441318 283286488 /nfs/dbraw/zinc/28/64/88/283286488.db2.gz JPKYWNJMDDGOEW-NSHDSACASA-N 1 0 280.799 2.859 50 0 CFAARO CC[NH2+]Cc1cccc(NC(=O)c2cnn3c2CCCC3)c1 ZINC000296842707 200013421 /nfs/dbraw/zinc/01/34/21/200013421.db2.gz CBEUWFZLZHRHJQ-UHFFFAOYSA-N 1 0 298.390 2.581 50 0 CFAARO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C[C@@H]1C ZINC000253618397 540561123 /nfs/dbraw/zinc/56/11/23/540561123.db2.gz YKLWOBFFFWQBEX-BPUTZDHNSA-N 1 0 293.455 2.833 50 0 CFAARO CC1(C)CN(c2cc[nH+]c3ccccc32)CC[S@@]1=O ZINC000088756759 540715476 /nfs/dbraw/zinc/71/54/76/540715476.db2.gz COXBLBLJANYBRF-LJQANCHMSA-N 1 0 274.389 2.582 50 0 CFAARO CN1CCC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095420738 540724072 /nfs/dbraw/zinc/72/40/72/540724072.db2.gz ZTAQURGHGIAELD-DZGCQCFKSA-N 1 0 260.381 2.584 50 0 CFAARO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C1CCS(=O)CC1 ZINC000095940822 540726669 /nfs/dbraw/zinc/72/66/69/540726669.db2.gz DUXNJYITNHMHFN-GWUZIGMUSA-N 1 0 257.443 2.702 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C(\C)c2ccccc2Cl)C1 ZINC000179017609 189162238 /nfs/dbraw/zinc/16/22/38/189162238.db2.gz AFAYLSLFQRBWHD-CNELAYHGSA-N 1 0 292.810 2.811 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000156300182 296028332 /nfs/dbraw/zinc/02/83/32/296028332.db2.gz PZWFYXOOAPAOAD-MNOVXSKESA-N 1 0 295.452 2.640 50 0 CFAARO CCCc1nc(NCCC2CC[NH+](CCC)CC2)no1 ZINC000670434359 540992664 /nfs/dbraw/zinc/99/26/64/540992664.db2.gz GEADLTMFPXCJLJ-UHFFFAOYSA-N 1 0 280.416 2.946 50 0 CFAARO C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2ccccc2o1 ZINC000670437338 540993909 /nfs/dbraw/zinc/99/39/09/540993909.db2.gz BUSRIYJEPGUJTR-NEPJUHHUSA-N 1 0 257.337 2.501 50 0 CFAARO C[N@H+](CCc1nc2cc(F)ccc2[nH]1)C[C@H]1CCCOC1 ZINC000670439153 540995091 /nfs/dbraw/zinc/99/50/91/540995091.db2.gz QGAPBDUWJKCLRY-GFCCVEGCSA-N 1 0 291.370 2.603 50 0 CFAARO CNC(=O)C[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000670442951 540996767 /nfs/dbraw/zinc/99/67/67/540996767.db2.gz KSDFOHYPYMYBJT-OAHLLOKOSA-N 1 0 266.429 2.805 50 0 CFAARO Cc1c[nH+]ccc1N1CCN([C@@H](C)CC(F)(F)F)CC1 ZINC000670444622 540996814 /nfs/dbraw/zinc/99/68/14/540996814.db2.gz YIFGLADUVQFTKJ-LBPRGKRZSA-N 1 0 287.329 2.853 50 0 CFAARO CC1(C)C[C@H](O)CC[N@H+](Cc2cnccc2Cl)C1 ZINC000670444883 540997289 /nfs/dbraw/zinc/99/72/89/540997289.db2.gz XELXTHIUMQIIKG-GFCCVEGCSA-N 1 0 268.788 2.718 50 0 CFAARO CCOc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000670449783 540998717 /nfs/dbraw/zinc/99/87/17/540998717.db2.gz JSCAIWQGSPUXNL-AWEZNQCLSA-N 1 0 286.379 2.583 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CN1CC(Oc2ccc(C)cc2)C1 ZINC000670460705 541002804 /nfs/dbraw/zinc/00/28/04/541002804.db2.gz HHAIPRFVZQSIRT-OAHLLOKOSA-N 1 0 274.408 2.542 50 0 CFAARO Fc1ccc(N2CC[NH+](CC[C@H]3CCOC3)CC2)c(F)c1 ZINC000670458627 541002043 /nfs/dbraw/zinc/00/20/43/541002043.db2.gz LUFDBWBRISABMF-ZDUSSCGKSA-N 1 0 296.361 2.513 50 0 CFAARO C[C@H](Cc1ccco1)NCC[NH2+][C@@H](C)Cc1ccco1 ZINC000670419698 540986019 /nfs/dbraw/zinc/98/60/19/540986019.db2.gz SPMDNYXDURKJLL-OKILXGFUSA-N 1 0 276.380 2.614 50 0 CFAARO Cc1cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000670465616 541006374 /nfs/dbraw/zinc/00/63/74/541006374.db2.gz BGWQSJBQQQSXHU-KRWDZBQOSA-N 1 0 298.434 2.672 50 0 CFAARO CCCOCC(=O)NC1(C[NH+]2CCCCC2)CCCCC1 ZINC000670466791 541006510 /nfs/dbraw/zinc/00/65/10/541006510.db2.gz GWYGFRTVUIKRHM-UHFFFAOYSA-N 1 0 296.455 2.718 50 0 CFAARO C[C@@H](C[NH+]1CCCC1)c1ncnn1C1Cc2ccccc2C1 ZINC000670469125 541007812 /nfs/dbraw/zinc/00/78/12/541007812.db2.gz PCKGFFVKAQHICQ-AWEZNQCLSA-N 1 0 296.418 2.817 50 0 CFAARO Cc1cc(=O)oc2cc(/[NH+]=c3/ccccn3C)ccc12 ZINC000138028959 541021204 /nfs/dbraw/zinc/02/12/04/541021204.db2.gz AUHTVELIXMJVCD-ICFOKQHNSA-N 1 0 266.300 2.672 50 0 CFAARO Cc1ncc(C(C)C)c(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000823770658 781937498 /nfs/dbraw/zinc/93/74/98/781937498.db2.gz YHWRVALXDUMOJR-ZDUSSCGKSA-N 1 0 262.401 2.662 50 0 CFAARO CCn1cc(C2CC[NH+]([C@H](C)c3cnccn3)CC2)cn1 ZINC000184495212 189387855 /nfs/dbraw/zinc/38/78/55/189387855.db2.gz ILZPRYJXYDOMJN-CYBMUJFWSA-N 1 0 285.395 2.634 50 0 CFAARO c1ccc(C[N@@H+]2CCCN(c3nc(C4CC4)no3)CC2)cc1 ZINC000076683001 541323234 /nfs/dbraw/zinc/32/32/34/541323234.db2.gz GJPRYCORVPIAND-UHFFFAOYSA-N 1 0 298.390 2.659 50 0 CFAARO OCC[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000667873300 541333284 /nfs/dbraw/zinc/33/32/84/541333284.db2.gz YFHJFYJGSKSKEF-QZWWFDLISA-N 1 0 259.393 2.931 50 0 CFAARO C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000194510840 189662600 /nfs/dbraw/zinc/66/26/00/189662600.db2.gz UELSXIPAOIMIRN-IIAWOOMASA-N 1 0 263.381 2.574 50 0 CFAARO [NH3+][C@@H]1CCN(Cc2ccccc2OC2CCCC2)C1 ZINC000215995898 189699080 /nfs/dbraw/zinc/69/90/80/189699080.db2.gz RETTZWNJCWWFLG-CQSZACIVSA-N 1 0 260.381 2.541 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCC1(C)C)C(=O)Nc1nccs1 ZINC000191293412 299364321 /nfs/dbraw/zinc/36/43/21/299364321.db2.gz VVAPRPSRSMZULM-VHSXEESVSA-N 1 0 267.398 2.638 50 0 CFAARO C[C@]1(C[NH2+][C@H]2CCCCC23CCCC3)CCC(=O)N1 ZINC000335223354 291391632 /nfs/dbraw/zinc/39/16/32/291391632.db2.gz YPDGTTDTZMXHOR-DZGCQCFKSA-N 1 0 264.413 2.748 50 0 CFAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1N)CC2 ZINC000000002825 371508214 /nfs/dbraw/zinc/50/82/14/371508214.db2.gz OPWKKFLSNMZGEV-UHFFFAOYSA-N 1 0 298.386 2.844 50 0 CFAARO [NH2+]=C1NC(Nc2ccc(Cl)cc2)=NC2(CCCCC2)N1 ZINC000000203755 371557581 /nfs/dbraw/zinc/55/75/81/371557581.db2.gz YAARVULYILDNGZ-UHFFFAOYSA-N 1 0 291.786 2.686 50 0 CFAARO COc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000000126104 371536907 /nfs/dbraw/zinc/53/69/07/371536907.db2.gz AIDJYVYDHDOWIR-UHFFFAOYSA-N 1 0 262.353 2.510 50 0 CFAARO FC(F)(F)c1cc(N2CC[NH2+]CC2)c2ccccc2n1 ZINC000000170653 371547672 /nfs/dbraw/zinc/54/76/72/371547672.db2.gz VCJGCFMRAFRJNE-UHFFFAOYSA-N 1 0 281.281 2.663 50 0 CFAARO Cc1c(C[N@H+]2CCCC[C@H]2C)c(=O)n(-c2ccccc2)n1C ZINC000000183144 371551861 /nfs/dbraw/zinc/55/18/61/371551861.db2.gz UBOCNBKJCORLRE-CQSZACIVSA-N 1 0 299.418 2.859 50 0 CFAARO C[NH+](C)Cc1ccc(O)c(CCc2ccccc2)n1 ZINC000000186301 371552790 /nfs/dbraw/zinc/55/27/90/371552790.db2.gz YIRJSRSICRNWHR-UHFFFAOYSA-N 1 0 256.349 2.634 50 0 CFAARO [NH3+][C@@H](c1ccccc1)[P@@](=O)([O-])[C@H]([NH3+])c1ccccc1 ZINC000000186739 371553455 /nfs/dbraw/zinc/55/34/55/371553455.db2.gz GDRKYOFXBSKACL-OKILXGFUSA-N 1 0 276.276 2.572 50 0 CFAARO CC[C@@H](C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000000192654 371555079 /nfs/dbraw/zinc/55/50/79/371555079.db2.gz KUILOHHBEIBAET-HZPDHXFCSA-N 1 0 273.376 2.818 50 0 CFAARO O[C@@H](COc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000000437673 371615126 /nfs/dbraw/zinc/61/51/26/371615126.db2.gz ZGMJRMLXHLGNFX-CYBMUJFWSA-N 1 0 269.772 2.566 50 0 CFAARO CCC[NH+]1CCC(NCc2cccc(F)c2)CC1 ZINC000000217692 371560589 /nfs/dbraw/zinc/56/05/89/371560589.db2.gz ABEBLKYZQXUPCF-UHFFFAOYSA-N 1 0 250.361 2.790 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000000237112 371564496 /nfs/dbraw/zinc/56/44/96/371564496.db2.gz VUWRDFUUSQZNNM-OAHLLOKOSA-N 1 0 292.398 2.906 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000000240332 371566649 /nfs/dbraw/zinc/56/66/49/371566649.db2.gz XZGLTDWPPLANGO-OAHLLOKOSA-N 1 0 263.381 2.529 50 0 CFAARO COc1ccccc1CC[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000000248064 371567857 /nfs/dbraw/zinc/56/78/57/371567857.db2.gz UCPUZQNWLLHCMH-ZBFHGGJFSA-N 1 0 263.381 2.785 50 0 CFAARO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000000251334 371569783 /nfs/dbraw/zinc/56/97/83/371569783.db2.gz QXJZZICYZZKPMO-PBHICJAKSA-N 1 0 288.435 2.841 50 0 CFAARO COc1ccc(OC)c(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000000256588 371570560 /nfs/dbraw/zinc/57/05/60/371570560.db2.gz UTUKQWGZHFYSRV-UHFFFAOYSA-N 1 0 292.379 2.518 50 0 CFAARO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000000292705 371580244 /nfs/dbraw/zinc/58/02/44/371580244.db2.gz QEYYWHAWYAVLKO-CABCVRRESA-N 1 0 251.345 2.915 50 0 CFAARO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)cc(OC)c1 ZINC000000293447 371580300 /nfs/dbraw/zinc/58/03/00/371580300.db2.gz LXSLVRZUGUBCSX-HOTGVXAUSA-N 1 0 279.380 2.751 50 0 CFAARO c1cc(CN2CCC([NH+]3CCCCCC3)CC2)ccn1 ZINC000000315794 371586055 /nfs/dbraw/zinc/58/60/55/371586055.db2.gz CHEOUEHSVYXITK-UHFFFAOYSA-N 1 0 273.424 2.922 50 0 CFAARO CC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000000342311 371591020 /nfs/dbraw/zinc/59/10/20/371591020.db2.gz PAQHZPCDYMLTKK-OAHLLOKOSA-N 1 0 288.391 2.784 50 0 CFAARO Cc1cc(Cl)ccc1NC(=O)OCC[NH+](C)C ZINC000000395325 371603145 /nfs/dbraw/zinc/60/31/45/371603145.db2.gz CCWXYGDPOCBMFB-UHFFFAOYSA-N 1 0 256.733 2.759 50 0 CFAARO C[NH+]1CCC(SCC(=O)c2ccc(F)cc2)CC1 ZINC000000392274 371603573 /nfs/dbraw/zinc/60/35/73/371603573.db2.gz STCNGVIIGTXITE-UHFFFAOYSA-N 1 0 267.369 2.836 50 0 CFAARO C[NH+](C)CCOC(=O)Nc1ccc(Br)cc1 ZINC000000398078 371605148 /nfs/dbraw/zinc/60/51/48/371605148.db2.gz IORIMICWYGREEK-UHFFFAOYSA-N 1 0 287.157 2.559 50 0 CFAARO Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)s1 ZINC000001408243 371673730 /nfs/dbraw/zinc/67/37/30/371673730.db2.gz UQNQKBYHVFARND-LBPRGKRZSA-N 1 0 283.360 2.503 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000000567956 371640124 /nfs/dbraw/zinc/64/01/24/371640124.db2.gz KXDGCQBVVILKGW-OCCSQVGLSA-N 1 0 283.799 2.954 50 0 CFAARO OC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000000753257 371646859 /nfs/dbraw/zinc/64/68/59/371646859.db2.gz XDNLUYNNTQXVES-GFCCVEGCSA-N 1 0 284.197 2.653 50 0 CFAARO CCN1CCC([NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000000802058 371650978 /nfs/dbraw/zinc/65/09/78/371650978.db2.gz STSCZGKZJLZTPR-ZDUSSCGKSA-N 1 0 262.397 2.830 50 0 CFAARO Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cc[nH+]cc1 ZINC000001008088 371656346 /nfs/dbraw/zinc/65/63/46/371656346.db2.gz PAOWMUJXGOUFQL-MDWZMJQESA-N 1 0 299.355 2.813 50 0 CFAARO CC(C)[C@H]1O[C@H](c2ccccc2)CN1CCC[NH+](C)C ZINC000002090580 371714723 /nfs/dbraw/zinc/71/47/23/371714723.db2.gz PBFNXZXJUZGFQH-DLBZAZTESA-N 1 0 276.424 2.994 50 0 CFAARO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000002169557 371718583 /nfs/dbraw/zinc/71/85/83/371718583.db2.gz PHOIDJGLYWEUEK-AWEZNQCLSA-N 1 0 276.380 2.786 50 0 CFAARO C[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000002484369 371728377 /nfs/dbraw/zinc/72/83/77/371728377.db2.gz BMXPXGQKTHPCSB-HNNXBMFYSA-N 1 0 273.424 2.778 50 0 CFAARO CCOC(=O)CCC(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514930 371732046 /nfs/dbraw/zinc/73/20/46/371732046.db2.gz BWFRNKSRNJKOOB-UHFFFAOYSA-N 1 0 287.359 2.584 50 0 CFAARO NNc1ccc(Cc2ccc(Cl)cc2Cl)n[nH+]1 ZINC000002558764 371736777 /nfs/dbraw/zinc/73/67/77/371736777.db2.gz ONWHQODUHXQAOS-UHFFFAOYSA-N 1 0 269.135 2.660 50 0 CFAARO OCC[NH2+]CCCCOc1cccc(Cl)c1Cl ZINC000002899253 371762466 /nfs/dbraw/zinc/76/24/66/371762466.db2.gz LAIFFUFHVBEPQL-UHFFFAOYSA-N 1 0 278.179 2.734 50 0 CFAARO CCOCCC[NH2+]Cc1cccc(Br)c1 ZINC000002923952 371764193 /nfs/dbraw/zinc/76/41/93/371764193.db2.gz NOYOMFVWZHRQIN-UHFFFAOYSA-N 1 0 272.186 2.965 50 0 CFAARO CC1CC[NH+](CCOCCOc2ccc(F)cc2)CC1 ZINC000002956877 371764690 /nfs/dbraw/zinc/76/46/90/371764690.db2.gz CISZUUWTVSBCCB-UHFFFAOYSA-N 1 0 281.371 2.953 50 0 CFAARO Cc1cc(C)cc(OCCOCC[NH2+]C(C)C)c1 ZINC000002981093 371766486 /nfs/dbraw/zinc/76/64/86/371766486.db2.gz USFHKTDAUQSBDT-UHFFFAOYSA-N 1 0 251.370 2.697 50 0 CFAARO C[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003335990 371792710 /nfs/dbraw/zinc/79/27/10/371792710.db2.gz SNNBVGRDRGGJFH-UHFFFAOYSA-N 1 0 266.650 2.517 50 0 CFAARO COc1ccccc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000003337474 371792722 /nfs/dbraw/zinc/79/27/22/371792722.db2.gz ABSMCXLHYWMDKB-UHFFFAOYSA-N 1 0 295.452 2.569 50 0 CFAARO CCOc1ccc(OCCOCC[NH+]2CCCCC2)cc1 ZINC000003001986 371768938 /nfs/dbraw/zinc/76/89/38/371768938.db2.gz WRFNBKLKAXGNBA-UHFFFAOYSA-N 1 0 293.407 2.967 50 0 CFAARO CC(=O)c1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000003130197 371773699 /nfs/dbraw/zinc/77/36/99/371773699.db2.gz FCXCFPPWHHRQCD-UHFFFAOYSA-N 1 0 274.364 2.704 50 0 CFAARO CC(=O)c1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1 ZINC000003310075 371788759 /nfs/dbraw/zinc/78/87/59/371788759.db2.gz AQLLARBIIOBARZ-UHFFFAOYSA-N 1 0 288.372 2.679 50 0 CFAARO [NH3+]CCN1C(=S)S/C(=C\c2ccccc2F)C1=S ZINC000003309862 371789723 /nfs/dbraw/zinc/78/97/23/371789723.db2.gz FBSBQPLAXCJIHO-YFHOEESVSA-N 1 0 298.433 2.786 50 0 CFAARO Nc1c2c([nH+]c3ccn(-c4ccccc4)c(=O)c13)CCCC2 ZINC000004020016 371829483 /nfs/dbraw/zinc/82/94/83/371829483.db2.gz OWKWAGQQXDDMJT-UHFFFAOYSA-N 1 0 291.354 2.847 50 0 CFAARO CC(=O)c1cccc(NC(=O)C[NH2+]CCc2ccccc2)c1 ZINC000003440631 371801045 /nfs/dbraw/zinc/80/10/45/371801045.db2.gz MWQQAJSMVKUIJY-UHFFFAOYSA-N 1 0 296.370 2.660 50 0 CFAARO CC1(C)C[C@](O)(C[NH2+]Cc2ccc(Cl)cc2)CCO1 ZINC000004120582 371834396 /nfs/dbraw/zinc/83/43/96/371834396.db2.gz SEAUHHVCXGHYMG-HNNXBMFYSA-N 1 0 283.799 2.750 50 0 CFAARO C[NH2+]CC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000003683827 371815964 /nfs/dbraw/zinc/81/59/64/371815964.db2.gz KRECHJOFIBMZAW-UHFFFAOYSA-N 1 0 281.359 2.687 50 0 CFAARO C[NH2+]CCc1nc(-c2ccc(OC)cc2OC)cs1 ZINC000003708569 371816690 /nfs/dbraw/zinc/81/66/90/371816690.db2.gz ZQCYEUMJXQGDAZ-UHFFFAOYSA-N 1 0 278.377 2.589 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000003864495 371821101 /nfs/dbraw/zinc/82/11/01/371821101.db2.gz BCEGKGJNDVLJTP-LESVLKBLSA-N 1 0 295.467 2.968 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000004144219 371835696 /nfs/dbraw/zinc/83/56/96/371835696.db2.gz OBVOCZTXJINSPD-JSGCOSHPSA-N 1 0 283.799 2.812 50 0 CFAARO COc1ccccc1C(=O)O[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000003901937 371824219 /nfs/dbraw/zinc/82/42/19/371824219.db2.gz KTZCSPSWFXRDPE-TYNCELHUSA-N 1 0 277.364 2.581 50 0 CFAARO O=C1NCCCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000004022549 371828841 /nfs/dbraw/zinc/82/88/41/371828841.db2.gz RREHWQZQQPUIRS-JCYILVPMSA-N 1 0 286.419 2.971 50 0 CFAARO COc1ccc(CSC2=[NH+]CCN2)cc1Cl ZINC000004339289 371851758 /nfs/dbraw/zinc/85/17/58/371851758.db2.gz VXXFUXPTNRIHFJ-UHFFFAOYSA-N 1 0 256.758 2.541 50 0 CFAARO COc1cccc(/C=C/c2cccc[n+]2C)c1OC ZINC000004582949 371866446 /nfs/dbraw/zinc/86/64/46/371866446.db2.gz UQGWGMOPXYQKHH-ZHACJKMWSA-N 1 0 256.325 2.699 50 0 CFAARO COc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc2c1 ZINC000004993282 371878779 /nfs/dbraw/zinc/87/87/79/371878779.db2.gz FHFSIMKLBLEBGE-UHFFFAOYSA-N 1 0 294.354 2.827 50 0 biogenic,in-vitro CFAARO Cc1cc(C)c2c(=O)[nH]n([C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2n1 ZINC000005179477 371879873 /nfs/dbraw/zinc/87/98/73/371879873.db2.gz DNSOMCZSWHTTIF-WCFLWFBJSA-N 1 0 288.395 2.655 50 0 CFAARO C[C@H]([NH3+])Cc1ccccc1[S@@](=O)c1ccccc1 ZINC000004146783 371836990 /nfs/dbraw/zinc/83/69/90/371836990.db2.gz UKJQLHNCSHSGGK-KPZWWZAWSA-N 1 0 259.374 2.743 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000007636272 371895374 /nfs/dbraw/zinc/89/53/74/371895374.db2.gz ABONSXHZHXQBBR-LSDHHAIUSA-N 1 0 263.381 2.609 50 0 CFAARO C[C@@H]1CCC[C@H]1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000010434844 371907892 /nfs/dbraw/zinc/90/78/92/371907892.db2.gz KSIMRCJXVNOUTP-ZTFGCOKTSA-N 1 0 289.419 2.611 50 0 CFAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000011774880 371929649 /nfs/dbraw/zinc/92/96/49/371929649.db2.gz VTDCJYIVWDJSRB-INIZCTEOSA-N 1 0 298.390 2.685 50 0 CFAARO Cc1ccc(C)c(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000012940398 372002030 /nfs/dbraw/zinc/00/20/30/372002030.db2.gz AINLUJIQXKAGSK-UHFFFAOYSA-N 1 0 274.408 2.906 50 0 CFAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC2)cc1 ZINC000012917867 371999531 /nfs/dbraw/zinc/99/95/31/371999531.db2.gz XWBOTYSMOHZKPL-INIZCTEOSA-N 1 0 288.391 2.501 50 0 CFAARO CC[NH2+]CC[C@@H]1CCC(=O)N1C1C2CC3CC(C2)CC1C3 ZINC000012209982 371947389 /nfs/dbraw/zinc/94/73/89/371947389.db2.gz KZCXDOMHUMYMAN-STWSTGMMSA-N 1 0 290.451 2.802 50 0 CFAARO O=C(C1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012343504 371952558 /nfs/dbraw/zinc/95/25/58/371952558.db2.gz DNPQFUMTIHHYGS-UHFFFAOYSA-N 1 0 264.413 2.654 50 0 CFAARO Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000012363274 371955180 /nfs/dbraw/zinc/95/51/80/371955180.db2.gz TZMCGWUPMHQRQA-GASCZTMLSA-N 1 0 290.407 2.741 50 0 CFAARO CCOc1c(C[NH2+]CCCOC(C)C)cccc1OC ZINC000013721833 372044347 /nfs/dbraw/zinc/04/43/47/372044347.db2.gz LLKIRDHSDKFXLU-UHFFFAOYSA-N 1 0 281.396 2.999 50 0 CFAARO c1ccc(C[NH2+]Cc2cccc(Oc3ncccn3)c2)nc1 ZINC000013731697 372047049 /nfs/dbraw/zinc/04/70/49/372047049.db2.gz MZJJZLFQDLEKDD-UHFFFAOYSA-N 1 0 292.342 2.954 50 0 CFAARO O=C(NC1CCCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000013757995 372048216 /nfs/dbraw/zinc/04/82/16/372048216.db2.gz LRAUBOSEUOPEDA-UHFFFAOYSA-N 1 0 293.455 2.979 50 0 CFAARO CC[N@@H+]1CCC[C@H]1Cn1sc2ccccc2c1=O ZINC000013833684 372051750 /nfs/dbraw/zinc/05/17/50/372051750.db2.gz IOHBIRVTJUGAEU-NSHDSACASA-N 1 0 262.378 2.547 50 0 CFAARO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)sc1C ZINC000012977222 372005944 /nfs/dbraw/zinc/00/59/44/372005944.db2.gz ZVKSVHSRCOWGOH-UHFFFAOYSA-N 1 0 280.437 2.968 50 0 CFAARO O[C@H](COC1CCCCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000016576907 372110350 /nfs/dbraw/zinc/11/03/50/372110350.db2.gz VIKHUBRGROKZIG-KRWDZBQOSA-N 1 0 289.419 2.755 50 0 CFAARO CCc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)s1 ZINC000016603294 372112050 /nfs/dbraw/zinc/11/20/50/372112050.db2.gz OIVXGVQCFYUHSG-UHFFFAOYSA-N 1 0 280.437 2.913 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000016604107 372113233 /nfs/dbraw/zinc/11/32/33/372113233.db2.gz OQJOQROWWAOCMP-UHFFFAOYSA-N 1 0 260.381 2.518 50 0 CFAARO CCC[NH+]1CCC(NC(=O)CCCc2ccccc2)CC1 ZINC000016603410 372113267 /nfs/dbraw/zinc/11/32/67/372113267.db2.gz HFRDJTKAKRDCFI-UHFFFAOYSA-N 1 0 288.435 3.000 50 0 CFAARO C[N@H+](CC(=O)NCc1ccco1)[C@H]1CCCc2ccccc21 ZINC000016694529 372117361 /nfs/dbraw/zinc/11/73/61/372117361.db2.gz BBJVFLNPYONBKP-KRWDZBQOSA-N 1 0 298.386 2.905 50 0 CFAARO Brc1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000014631155 372070595 /nfs/dbraw/zinc/07/05/95/372070595.db2.gz LWSGZNITGPTSRL-JTQLQIEISA-N 1 0 270.170 2.828 50 0 CFAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000014914377 372075455 /nfs/dbraw/zinc/07/54/55/372075455.db2.gz TZDBXBPDDTZBHM-LBPRGKRZSA-N 1 0 280.799 2.831 50 0 CFAARO C[NH2+]CC[C@H]1CCC(=O)N1CCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000014987222 372077076 /nfs/dbraw/zinc/07/70/76/372077076.db2.gz FNXHCEWVPUYZIF-XHSDSOJGSA-N 1 0 290.451 2.969 50 0 CFAARO COC(=O)c1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000014968996 372077208 /nfs/dbraw/zinc/07/72/08/372077208.db2.gz GYQMTMSBNJZUSY-MRXNPFEDSA-N 1 0 297.354 2.567 50 0 CFAARO CC[NH2+]CC[C@H]1CCC(=O)N1CCc1ccccc1Cl ZINC000014970945 372077260 /nfs/dbraw/zinc/07/72/60/372077260.db2.gz IHUXHIFPOFOXGZ-CQSZACIVSA-N 1 0 294.826 2.873 50 0 CFAARO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)c1 ZINC000016042952 372098581 /nfs/dbraw/zinc/09/85/81/372098581.db2.gz YDBPAMFTYNDWQO-BHYGNILZSA-N 1 0 291.391 2.660 50 0 CFAARO C[C@@H](C(=O)NCc1cccs1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000016335515 372103668 /nfs/dbraw/zinc/10/36/68/372103668.db2.gz IGQOGXZLYQEXHB-XQQFMLRXSA-N 1 0 280.437 2.731 50 0 CFAARO [NH3+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000019273555 372152844 /nfs/dbraw/zinc/15/28/44/372152844.db2.gz PVHXZRZDOGXTPE-CQSZACIVSA-N 1 0 258.390 2.806 50 0 CFAARO c1cncc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000019339208 372156618 /nfs/dbraw/zinc/15/66/18/372156618.db2.gz XBKREKZBXQZROW-INIZCTEOSA-N 1 0 271.408 2.556 50 0 CFAARO COc1ccc2ccccc2c1CN1CC[NH+](C)CC1 ZINC000019359106 372156983 /nfs/dbraw/zinc/15/69/83/372156983.db2.gz VTTVSXRLXLDZGK-UHFFFAOYSA-N 1 0 270.376 2.596 50 0 CFAARO COc1ccc([C@H]([NH3+])c2ccc(OC)cc2OC)cc1 ZINC000019415170 372161675 /nfs/dbraw/zinc/16/16/75/372161675.db2.gz BLECVMLKEBWWJQ-INIZCTEOSA-N 1 0 273.332 2.761 50 0 CFAARO [NH3+][C@H](C(=O)Nc1cccc2ncccc21)c1ccccc1 ZINC000019430559 372162271 /nfs/dbraw/zinc/16/22/71/372162271.db2.gz WTBHDUVPSBMPNS-INIZCTEOSA-N 1 0 277.327 2.873 50 0 CFAARO CC[NH+]1CCN(Cc2cc(Br)cs2)CC1 ZINC000019536924 372174681 /nfs/dbraw/zinc/17/46/81/372174681.db2.gz OEZMMFGQDAWMSV-UHFFFAOYSA-N 1 0 289.242 2.648 50 0 CFAARO Clc1ccc(OCCCC[NH+]2CCOCC2)cc1 ZINC000019607304 372177017 /nfs/dbraw/zinc/17/70/17/372177017.db2.gz WUUMLRJDJXQWJB-UHFFFAOYSA-N 1 0 269.772 2.831 50 0 CFAARO CCN(CC[NH+](C)C)Cc1c(F)cccc1Cl ZINC000019634831 372178288 /nfs/dbraw/zinc/17/82/88/372178288.db2.gz KFOKWSVHXZISKF-UHFFFAOYSA-N 1 0 258.768 2.863 50 0 CFAARO C[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccccc1 ZINC000019608915 372178520 /nfs/dbraw/zinc/17/85/20/372178520.db2.gz TYUSYUDHDKOXIA-MRXNPFEDSA-N 1 0 259.324 2.991 50 0 CFAARO COc1ccc2ccccc2c1CN1CCC[N@H+](C)CC1 ZINC000019632968 372178939 /nfs/dbraw/zinc/17/89/39/372178939.db2.gz DUIQNQBVGGSWJS-UHFFFAOYSA-N 1 0 284.403 2.986 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000017245381 372131450 /nfs/dbraw/zinc/13/14/50/372131450.db2.gz MMGBWQXPHCBIBW-RHSMWYFYSA-N 1 0 289.419 2.647 50 0 CFAARO CC[NH+]1CCC(Nc2ccc(OC)c(OC)c2)CC1 ZINC000019908467 372207846 /nfs/dbraw/zinc/20/78/46/372207846.db2.gz HBKVLFJIPPSYAF-UHFFFAOYSA-N 1 0 264.369 2.600 50 0 CFAARO Cc1cc(OCCN2CC[NH+](C)CC2)ccc1C(C)C ZINC000020118141 372233310 /nfs/dbraw/zinc/23/33/10/372233310.db2.gz YJYDAKJKKVPWGL-UHFFFAOYSA-N 1 0 276.424 2.745 50 0 CFAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[N@H+](C)[C@H](C)C1 ZINC000019770966 372184553 /nfs/dbraw/zinc/18/45/53/372184553.db2.gz APIUPJBSGRUJHZ-CYBMUJFWSA-N 1 0 284.407 2.521 50 0 CFAARO Cc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)c(C)c1 ZINC000019771295 372184964 /nfs/dbraw/zinc/18/49/64/372184964.db2.gz RUNNMQWVTBLAMJ-DOTOQJQBSA-N 1 0 258.409 2.972 50 0 CFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCCC[N@@H+]1C ZINC000019782192 372185940 /nfs/dbraw/zinc/18/59/40/372185940.db2.gz QNLZXRSAUUDBRH-CYBMUJFWSA-N 1 0 290.386 2.618 50 0 CFAARO COCC[NH2+][C@H](C)c1ccccc1Br ZINC000019881411 372201970 /nfs/dbraw/zinc/20/19/70/372201970.db2.gz CGEAPWAJUOOYOT-SECBINFHSA-N 1 0 258.159 2.746 50 0 CFAARO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC000023114864 372252503 /nfs/dbraw/zinc/25/25/03/372252503.db2.gz IAKDYHYTSCPNSC-ZDUSSCGKSA-N 1 0 255.308 2.702 50 0 CFAARO CN(CC[NH+](C)C)Cc1ccc(OC(F)(F)F)cc1 ZINC000023280582 372257089 /nfs/dbraw/zinc/25/70/89/372257089.db2.gz JKSIQJWYDAVXET-UHFFFAOYSA-N 1 0 276.302 2.579 50 0 CFAARO COc1ccc(C[C@@H](C)[NH+]2CCSCC2)cc1OC ZINC000023282581 372258125 /nfs/dbraw/zinc/25/81/25/372258125.db2.gz LXMGNIOMQUZFBD-GFCCVEGCSA-N 1 0 281.421 2.684 50 0 CFAARO CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]CCN(C)C ZINC000025763851 372306478 /nfs/dbraw/zinc/30/64/78/372306478.db2.gz YRYHZTDMVWWJPM-KGLIPLIRSA-N 1 0 291.439 2.678 50 0 CFAARO C[NH+](C)CCNc1nc2c(cc(F)cc2F)s1 ZINC000026424029 372319169 /nfs/dbraw/zinc/31/91/69/372319169.db2.gz QHYOLWSCNKIDBH-UHFFFAOYSA-N 1 0 257.309 2.548 50 0 CFAARO c1csc(C[NH2+]CCc2cn3ccccc3n2)c1 ZINC000026476601 372321452 /nfs/dbraw/zinc/32/14/52/372321452.db2.gz MSXXRVCXMZMLOY-UHFFFAOYSA-N 1 0 257.362 2.728 50 0 CFAARO CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027584781 372343827 /nfs/dbraw/zinc/34/38/27/372343827.db2.gz KFGWFVSRWWEFHJ-LBPRGKRZSA-N 1 0 266.410 2.801 50 0 CFAARO Brc1ccc(COC[C@@H]2CCC[NH2+]C2)cc1 ZINC000028521971 372366266 /nfs/dbraw/zinc/36/62/66/372366266.db2.gz IBWRVTGYAMPRFC-GFCCVEGCSA-N 1 0 284.197 2.965 50 0 CFAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccccc1 ZINC000032143142 372432695 /nfs/dbraw/zinc/43/26/95/372432695.db2.gz YJZJJYCAVJUAPY-CZUORRHYSA-N 1 0 289.350 2.916 50 0 CFAARO CC[N@@H+]1CCC[C@H](c2nnc3c(C(F)(F)F)cccn32)C1 ZINC000032561071 372444947 /nfs/dbraw/zinc/44/49/47/372444947.db2.gz KMHSCZZWZDNBJR-JTQLQIEISA-N 1 0 298.312 2.947 50 0 CFAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2ccccc2[nH]1 ZINC000032752792 372458842 /nfs/dbraw/zinc/45/88/42/372458842.db2.gz JAJOKLLXBJWDDI-UHFFFAOYSA-N 1 0 283.375 2.525 50 0 CFAARO C[NH2+]Cc1ccccc1OCC(=O)Nc1ccc(C)cc1 ZINC000034658444 372513035 /nfs/dbraw/zinc/51/30/35/372513035.db2.gz ZHLJJQZDHLVDRB-UHFFFAOYSA-N 1 0 284.359 2.732 50 0 CFAARO Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)c(F)c2)cc1 ZINC000237713565 189887692 /nfs/dbraw/zinc/88/76/92/189887692.db2.gz FCDPQYRTDOHUPG-OAHLLOKOSA-N 1 0 298.361 2.974 50 0 CFAARO C[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000035009583 372527169 /nfs/dbraw/zinc/52/71/69/372527169.db2.gz YVEOPSFNOZBJNY-ZDUSSCGKSA-N 1 0 268.360 2.679 50 0 CFAARO CC[C@@H](C)[N@@H+](Cc1cccn1C)C[C@H](O)COC(C)(C)C ZINC000036098144 372557452 /nfs/dbraw/zinc/55/74/52/372557452.db2.gz VUTLPXRKTSBDFA-ZBFHGGJFSA-N 1 0 296.455 2.802 50 0 CFAARO CCC[C@@H](O)C[N@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036100184 372557775 /nfs/dbraw/zinc/55/77/75/372557775.db2.gz ZLGSGNPPOGZBGK-MRXNPFEDSA-N 1 0 295.423 2.695 50 0 CFAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000036389713 372576252 /nfs/dbraw/zinc/57/62/52/372576252.db2.gz IQTLXNBAWOVZDX-UHFFFAOYSA-N 1 0 299.353 2.592 50 0 CFAARO Cc1ccc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)s1 ZINC000036385751 372576535 /nfs/dbraw/zinc/57/65/35/372576535.db2.gz ZEMAHOYXOAHHGN-OAHLLOKOSA-N 1 0 296.480 2.581 50 0 CFAARO CCOC(=O)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000036667737 372584976 /nfs/dbraw/zinc/58/49/76/372584976.db2.gz CZRMUPICEACVPG-UHFFFAOYSA-N 1 0 275.392 2.894 50 0 CFAARO COc1ccc(Br)c(C[NH2+]C2CC2)c1 ZINC000036947946 372615410 /nfs/dbraw/zinc/61/54/10/372615410.db2.gz CQYCGEPAJBICEV-UHFFFAOYSA-N 1 0 256.143 2.710 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037142121 372655706 /nfs/dbraw/zinc/65/57/06/372655706.db2.gz DOICJUOBAFWQJM-MNOVXSKESA-N 1 0 261.291 2.929 50 0 CFAARO CCC[C@](C)([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766384 372701864 /nfs/dbraw/zinc/70/18/64/372701864.db2.gz ZPDUEDLWFJRVAU-INIZCTEOSA-N 1 0 275.396 2.743 50 0 CFAARO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc2ccccc2o1 ZINC000037783017 372708026 /nfs/dbraw/zinc/70/80/26/372708026.db2.gz IPYZKOKCNWEBAJ-LBPRGKRZSA-N 1 0 272.348 2.533 50 0 CFAARO O=C(CC1CC[NH2+]CC1)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000038075522 372772471 /nfs/dbraw/zinc/77/24/71/372772471.db2.gz GRZOKLRNPCBLSJ-NEPJUHHUSA-N 1 0 292.345 2.613 50 0 CFAARO Fc1cccc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000040711547 372783745 /nfs/dbraw/zinc/78/37/45/372783745.db2.gz KATMWTINNGKEQR-UHFFFAOYSA-N 1 0 271.339 2.543 50 0 CFAARO C[C@H](CNC(=O)c1ccc(Cl)cc1F)[NH+]1CCCC1 ZINC000042505477 372928036 /nfs/dbraw/zinc/92/80/36/372928036.db2.gz WZNIWVLDNIRTSY-SNVBAGLBSA-N 1 0 284.762 2.693 50 0 CFAARO C[C@@H](CNC(=O)c1ccc(Cl)cc1F)[NH+]1CCCC1 ZINC000042505474 372928476 /nfs/dbraw/zinc/92/84/76/372928476.db2.gz WZNIWVLDNIRTSY-JTQLQIEISA-N 1 0 284.762 2.693 50 0 CFAARO Fc1ccc(Br)c(C[NH2+]CCn2cccn2)c1 ZINC000042541059 372934163 /nfs/dbraw/zinc/93/41/63/372934163.db2.gz PHCNVWOXKPVVQV-UHFFFAOYSA-N 1 0 298.159 2.575 50 0 CFAARO CCc1ccc(O[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042774824 372953454 /nfs/dbraw/zinc/95/34/54/372953454.db2.gz MALFEUXOQIWOIM-JTQLQIEISA-N 1 0 270.170 2.752 50 0 CFAARO CCOC(=O)c1ccccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042771193 372953967 /nfs/dbraw/zinc/95/39/67/372953967.db2.gz QDKVPCCAGFSCOV-ZDUSSCGKSA-N 1 0 277.364 2.632 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000044541107 373004572 /nfs/dbraw/zinc/00/45/72/373004572.db2.gz QPNHWRJEDVUHGK-JTQLQIEISA-N 1 0 287.190 2.947 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000044542008 373006737 /nfs/dbraw/zinc/00/67/37/373006737.db2.gz RQEJGMOFTHIZSL-JTQLQIEISA-N 1 0 287.190 2.947 50 0 CFAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(Cl)ccc2F)C1 ZINC000046878901 373065695 /nfs/dbraw/zinc/06/56/95/373065695.db2.gz WUIRKBBSNUUAPK-LLVKDONJSA-N 1 0 298.789 2.941 50 0 CFAARO c1nc2ccccc2n1CC[N@@H+]1CCOC2(CCCC2)C1 ZINC000244690955 189908941 /nfs/dbraw/zinc/90/89/41/189908941.db2.gz JABWCKSPSVUPNE-UHFFFAOYSA-N 1 0 285.391 2.681 50 0 CFAARO C[NH+]1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 ZINC000047615828 373108209 /nfs/dbraw/zinc/10/82/09/373108209.db2.gz KOYYUMAZEAYSKJ-UHFFFAOYSA-N 1 0 292.810 2.582 50 0 CFAARO c1ccc2oc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000048336912 373165029 /nfs/dbraw/zinc/16/50/29/373165029.db2.gz IHURGJULAVSZMF-WCQYABFASA-N 1 0 257.337 2.867 50 0 CFAARO OCC1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000048335220 373165073 /nfs/dbraw/zinc/16/50/73/373165073.db2.gz FDPSPPQHAYUZTE-UHFFFAOYSA-N 1 0 274.339 2.578 50 0 CFAARO [NH3+]Cc1ccc(Br)cc1C(F)(F)F ZINC000047843661 373119502 /nfs/dbraw/zinc/11/95/02/373119502.db2.gz GOXRWAZJVIOPFT-UHFFFAOYSA-N 1 0 254.049 2.927 50 0 CFAARO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(F)cc2)C1 ZINC000048909689 373231219 /nfs/dbraw/zinc/23/12/19/373231219.db2.gz BNIBNNYTYFHTHE-GFCCVEGCSA-N 1 0 279.359 2.679 50 0 CFAARO Cc1csc(NC(=O)C[N@@H+](C)C2CCCCC2)n1 ZINC000049066871 373260549 /nfs/dbraw/zinc/26/05/49/373260549.db2.gz DOKFETMAJKIKES-UHFFFAOYSA-N 1 0 267.398 2.655 50 0 CFAARO CC[NH+](CC)CC(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000049094416 373268763 /nfs/dbraw/zinc/26/87/63/373268763.db2.gz WLVBDUCVDDYGQN-ZDUSSCGKSA-N 1 0 296.798 2.622 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000053202478 373469164 /nfs/dbraw/zinc/46/91/64/373469164.db2.gz FXFQZXQZGUQJJN-LBPRGKRZSA-N 1 0 287.190 2.817 50 0 CFAARO CNc1ncccc1C[N@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055053831 373535458 /nfs/dbraw/zinc/53/54/58/373535458.db2.gz SZSCCBJYDOVOBT-AWEZNQCLSA-N 1 0 284.407 2.890 50 0 CFAARO O=C(c1cccs1)N1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000054992095 373533372 /nfs/dbraw/zinc/53/33/72/373533372.db2.gz WIQZOZODHIXCDD-AWEZNQCLSA-N 1 0 290.432 2.862 50 0 CFAARO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1 ZINC000057370898 373589919 /nfs/dbraw/zinc/58/99/19/373589919.db2.gz XFXLJOOVNTUPRU-ZDUSSCGKSA-N 1 0 284.359 2.985 50 0 CFAARO Cc1nc2c(nc(C)nc2NCCCC[NH+]2CCCC2)o1 ZINC000055089522 373540251 /nfs/dbraw/zinc/54/02/51/373540251.db2.gz DCDIIWCPYYRXNL-UHFFFAOYSA-N 1 0 289.383 2.523 50 0 CFAARO CCN(C/C=C/c1ccccc1)C(=O)CC1=CC[NH2+]CC1 ZINC000055414042 373551274 /nfs/dbraw/zinc/55/12/74/373551274.db2.gz ACEKPCQJUVAYBI-RMKNXTFCSA-N 1 0 284.403 2.858 50 0 CFAARO Cc1ccc2c(c1)nc(C)cc2C(=O)NCC[NH+]1CCCC1 ZINC000055414740 373551734 /nfs/dbraw/zinc/55/17/34/373551734.db2.gz GBNOTJSRYNILCI-UHFFFAOYSA-N 1 0 297.402 2.677 50 0 CFAARO C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000057488125 373594955 /nfs/dbraw/zinc/59/49/55/373594955.db2.gz BDDGXGMNDFFVKV-OAHLLOKOSA-N 1 0 299.418 2.733 50 0 CFAARO Cc1cc(CN(CC[NH+](C)C)Cc2ccc(C)s2)[nH]n1 ZINC000055575602 373558237 /nfs/dbraw/zinc/55/82/37/373558237.db2.gz ISAWLKXYHUCWCB-UHFFFAOYSA-N 1 0 292.452 2.652 50 0 CFAARO CCCNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000055911030 373560840 /nfs/dbraw/zinc/56/08/40/373560840.db2.gz OYFCCGSWOQTQNM-HNNXBMFYSA-N 1 0 260.381 2.658 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000057503257 373595851 /nfs/dbraw/zinc/59/58/51/373595851.db2.gz MHMVGYMCWQSOIW-LLVKDONJSA-N 1 0 291.782 2.722 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)no1 ZINC000058074055 373624450 /nfs/dbraw/zinc/62/44/50/373624450.db2.gz INFATSXBKVCYBM-MRXNPFEDSA-N 1 0 287.363 2.908 50 0 CFAARO CC[C@H](C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000058265259 373638559 /nfs/dbraw/zinc/63/85/59/373638559.db2.gz YRRYCOUBMRQLGX-DZKIICNBSA-N 1 0 274.408 2.984 50 0 CFAARO Cc1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)n[nH]1 ZINC000058265870 373639065 /nfs/dbraw/zinc/63/90/65/373639065.db2.gz HJYIHXWVSBQDDH-UHFFFAOYSA-N 1 0 284.363 2.566 50 0 CFAARO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000058283041 373640549 /nfs/dbraw/zinc/64/05/49/373640549.db2.gz JWRYWZCCLVWTRM-SJORKVTESA-N 1 0 280.371 2.703 50 0 CFAARO O=C(c1cccc(Cl)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000058281598 373640788 /nfs/dbraw/zinc/64/07/88/373640788.db2.gz WKNALDFEPXSDRW-UHFFFAOYSA-N 1 0 278.783 2.650 50 0 CFAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCC1 ZINC000058379249 373651991 /nfs/dbraw/zinc/65/19/91/373651991.db2.gz SPUBXNZKTLNHPF-UHFFFAOYSA-N 1 0 290.382 2.706 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H](C)c1cccs1 ZINC000058379664 373652158 /nfs/dbraw/zinc/65/21/58/373652158.db2.gz VSLMBGKNHXSJEV-NSHDSACASA-N 1 0 278.425 2.707 50 0 CFAARO CCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000057619956 373605032 /nfs/dbraw/zinc/60/50/32/373605032.db2.gz SZWUYTTYIUTHGN-UHFFFAOYSA-N 1 0 259.353 2.544 50 0 CFAARO CCCCc1noc([C@H](C)N2CC[C@H]([NH+]3CCCC3)C2)n1 ZINC000058431322 373659046 /nfs/dbraw/zinc/65/90/46/373659046.db2.gz LBUMCGWRANODOH-KBPBESRZSA-N 1 0 292.427 2.643 50 0 CFAARO CCC[NH+]1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000058563775 373662817 /nfs/dbraw/zinc/66/28/17/373662817.db2.gz QNDQEEMTZVADMC-JKSUJKDBSA-N 1 0 268.445 2.609 50 0 CFAARO CC1CCC(NC(=O)C[N@H+](C)C2CCCCC2)CC1 ZINC000058874485 373672604 /nfs/dbraw/zinc/67/26/04/373672604.db2.gz ARJDWNHCSRKYEW-UHFFFAOYSA-N 1 0 266.429 2.946 50 0 CFAARO Cc1noc(C)c1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000059744742 373684065 /nfs/dbraw/zinc/68/40/65/373684065.db2.gz KYSOJFOSTCAYFB-UHFFFAOYSA-N 1 0 279.428 2.845 50 0 CFAARO C[NH2+][C@H](C(=O)c1ccccc1)[C@@H](OC)c1ccccc1 ZINC000059866367 373685463 /nfs/dbraw/zinc/68/54/63/373685463.db2.gz UZMATHAVBHQGGQ-WBVHZDCISA-N 1 0 269.344 2.845 50 0 CFAARO Clc1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1 ZINC000060363298 373693551 /nfs/dbraw/zinc/69/35/51/373693551.db2.gz AUSHIWRROXAKFK-ZDUSSCGKSA-N 1 0 281.783 2.925 50 0 CFAARO COC[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000062161092 373754895 /nfs/dbraw/zinc/75/48/95/373754895.db2.gz MGVGPCHWWIMYNN-ZDUSSCGKSA-N 1 0 279.380 2.562 50 0 CFAARO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1O ZINC000063778375 373815106 /nfs/dbraw/zinc/81/51/06/373815106.db2.gz QPGHHTSFRFGRGY-UHFFFAOYSA-N 1 0 290.407 2.729 50 0 CFAARO CC[N@@H+]1CCC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC000063852107 373817543 /nfs/dbraw/zinc/81/75/43/373817543.db2.gz YFZDXZZEEIMMRB-OAHLLOKOSA-N 1 0 266.429 2.805 50 0 CFAARO O=C(NCc1ccco1)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000064817950 373835721 /nfs/dbraw/zinc/83/57/21/373835721.db2.gz JMSIHIBBURXAEG-UHFFFAOYSA-N 1 0 296.370 2.728 50 0 CFAARO C[NH+](C)CCSc1ccc2c(c1)OCCCO2 ZINC000065562225 373887706 /nfs/dbraw/zinc/88/77/06/373887706.db2.gz OGMASUJOLVHULY-UHFFFAOYSA-N 1 0 253.367 2.502 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CNC(=O)CCSc1ccc(F)cc1 ZINC000065590738 373892101 /nfs/dbraw/zinc/89/21/01/373892101.db2.gz ABEFZXUSYRWKLV-CYBMUJFWSA-N 1 0 296.411 2.518 50 0 CFAARO Cc1nc(C)n(CCC[NH2+][C@@H](C)CCc2ccccc2)n1 ZINC000065372772 373859168 /nfs/dbraw/zinc/85/91/68/373859168.db2.gz VUAWZRSXCLHNLL-AWEZNQCLSA-N 1 0 286.423 2.896 50 0 CFAARO Cc1cc2cccc(C(=O)N3[C@@H]4CC[C@H]3C[NH2+]CC4)c2o1 ZINC000065370984 373859212 /nfs/dbraw/zinc/85/92/12/373859212.db2.gz CUFHUJUYDDQUGI-KGLIPLIRSA-N 1 0 284.359 2.708 50 0 CFAARO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065371794 373859659 /nfs/dbraw/zinc/85/96/59/373859659.db2.gz KELDDCWUZOXMRE-CQSZACIVSA-N 1 0 293.374 2.855 50 0 CFAARO COc1c(F)cc(CN2[C@@H]3CC[C@H]2C[NH2+]CC3)cc1Cl ZINC000065396421 373865801 /nfs/dbraw/zinc/86/58/01/373865801.db2.gz WGQMIFWRJYCOSS-NEPJUHHUSA-N 1 0 298.789 2.814 50 0 CFAARO CCCc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000065425419 373870706 /nfs/dbraw/zinc/87/07/06/373870706.db2.gz YKNAQGLNTWSJRT-UHFFFAOYSA-N 1 0 285.391 2.949 50 0 CFAARO CC(C)[N@@H+](Cc1cc2ccccc2o1)C[C@@H]1CCC(=O)N1 ZINC000065425901 373871237 /nfs/dbraw/zinc/87/12/37/373871237.db2.gz RWIIFUSYWAUMPZ-AWEZNQCLSA-N 1 0 286.375 2.922 50 0 CFAARO Cc1ccsc1-c1nc(CN2CC[NH2+][C@H](C)C2)c(C)o1 ZINC000067755218 373999343 /nfs/dbraw/zinc/99/93/43/373999343.db2.gz XXWYDNRKTPGLLW-LLVKDONJSA-N 1 0 291.420 2.814 50 0 CFAARO Cc1ccsc1-c1nc(CN2CC[NH2+][C@@H](C)C2)c(C)o1 ZINC000067755220 373999452 /nfs/dbraw/zinc/99/94/52/373999452.db2.gz XXWYDNRKTPGLLW-NSHDSACASA-N 1 0 291.420 2.814 50 0 CFAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000067756568 373999527 /nfs/dbraw/zinc/99/95/27/373999527.db2.gz DPNCUDVYSPMGPI-MRXNPFEDSA-N 1 0 261.365 2.552 50 0 CFAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)CC(C)C)cc2c1 ZINC000067757397 373999533 /nfs/dbraw/zinc/99/95/33/373999533.db2.gz AQWVRMHKTGFAGM-UHFFFAOYSA-N 1 0 274.364 2.625 50 0 CFAARO CC(C)c1ccc(CC(=O)NC[C@@]2(C)CC[N@H+](C)C2)cc1 ZINC000067770818 374001380 /nfs/dbraw/zinc/00/13/80/374001380.db2.gz KITTXDODWHXNSW-GOSISDBHSA-N 1 0 288.435 2.811 50 0 CFAARO Cc1ccccc1CCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000067817530 374004746 /nfs/dbraw/zinc/00/47/46/374004746.db2.gz VWYDHDJKQZQOJJ-MRXNPFEDSA-N 1 0 288.435 2.774 50 0 CFAARO CC[N@@H+]1CCC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC000067819958 374006715 /nfs/dbraw/zinc/00/67/15/374006715.db2.gz YFZDXZZEEIMMRB-HNNXBMFYSA-N 1 0 266.429 2.805 50 0 CFAARO CCc1cccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000067854833 374008269 /nfs/dbraw/zinc/00/82/69/374008269.db2.gz IOOXOIXYXWOZAP-KRWDZBQOSA-N 1 0 287.407 2.856 50 0 CFAARO CC(C)c1csc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC000067850398 374008708 /nfs/dbraw/zinc/00/87/08/374008708.db2.gz QQRROMFPNQICNX-GFCCVEGCSA-N 1 0 295.452 2.728 50 0 CFAARO C[NH2+]CCN(C)Cc1nc(-c2cc(F)cc(F)c2)oc1C ZINC000067909958 374015715 /nfs/dbraw/zinc/01/57/15/374015715.db2.gz AEQFROISVIQNFC-UHFFFAOYSA-N 1 0 295.333 2.579 50 0 CFAARO COc1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)cc1F ZINC000067966541 374017795 /nfs/dbraw/zinc/01/77/95/374017795.db2.gz HSQBYAMLGRKPKO-LBPRGKRZSA-N 1 0 273.307 2.764 50 0 CFAARO [NH3+]C[C@H]1Cc2cccc(-c3ccc(Cl)cn3)c2O1 ZINC000067965956 374018151 /nfs/dbraw/zinc/01/81/51/374018151.db2.gz PUBUBFWCLRLWTI-LLVKDONJSA-N 1 0 260.724 2.664 50 0 CFAARO c1ccc(N2CCOCC2)c(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000066989943 373967721 /nfs/dbraw/zinc/96/77/21/373967721.db2.gz FYHFOPNVEALLEZ-UHFFFAOYSA-N 1 0 286.419 2.801 50 0 CFAARO CC(C)=CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067562977 373982870 /nfs/dbraw/zinc/98/28/70/373982870.db2.gz HOONCNTYGHBPHH-OAHLLOKOSA-N 1 0 290.407 2.964 50 0 CFAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3ccccc3cn2)C1 ZINC000067587837 373985796 /nfs/dbraw/zinc/98/57/96/373985796.db2.gz RZJPSVIVIMBQRV-CQSZACIVSA-N 1 0 297.402 2.697 50 0 CFAARO CN(C)NCc1cccc(OCCC[NH+]2CCCCC2)c1 ZINC000067613046 373987083 /nfs/dbraw/zinc/98/70/83/373987083.db2.gz VNXZKELNHYOFBY-UHFFFAOYSA-N 1 0 291.439 2.508 50 0 CFAARO [NH3+]C[C@H]1Cc2c(c(-c3ccc4[nH]cnc4c3)ccc2F)O1 ZINC000067673148 373990332 /nfs/dbraw/zinc/99/03/32/373990332.db2.gz HDKAXSJTPFPWKE-SNVBAGLBSA-N 1 0 283.306 2.631 50 0 CFAARO Cc1oc(-c2ccccc2C)nc1CN1CCC[C@H](O)C1 ZINC000067675414 373990361 /nfs/dbraw/zinc/99/03/61/373990361.db2.gz RKUGZIVQBXNURF-AWEZNQCLSA-N 1 0 286.375 2.915 50 0 CFAARO CC[NH+](CC)Cc1cccc(C(=O)Nc2cnns2)c1 ZINC000067688669 373991364 /nfs/dbraw/zinc/99/13/64/373991364.db2.gz JZFVWBQTYWJGAG-UHFFFAOYSA-N 1 0 290.392 2.632 50 0 CFAARO COC(=O)c1cccc(CN2CCC[C@@H]2c2ccccn2)n1 ZINC000067692191 373993563 /nfs/dbraw/zinc/99/35/63/373993563.db2.gz RRDMTSIGKHHWHV-MRXNPFEDSA-N 1 0 297.358 2.600 50 0 CFAARO COC(=O)c1cccc(CN2CCC[C@H]2c2ccccn2)n1 ZINC000067692193 373993576 /nfs/dbraw/zinc/99/35/76/373993576.db2.gz RRDMTSIGKHHWHV-INIZCTEOSA-N 1 0 297.358 2.600 50 0 CFAARO CC1CCC([NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000069618729 374079526 /nfs/dbraw/zinc/07/95/26/374079526.db2.gz SYFBCRKDJDUDAU-UHFFFAOYSA-N 1 0 295.452 2.648 50 0 CFAARO CCCCO[C@H](C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000068541303 374032000 /nfs/dbraw/zinc/03/20/00/374032000.db2.gz DYSFQLXGFNIKSX-CQSZACIVSA-N 1 0 292.423 2.570 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000069351214 374055581 /nfs/dbraw/zinc/05/55/81/374055581.db2.gz LBTJWGXCZFMTRJ-LLVKDONJSA-N 1 0 288.376 2.778 50 0 CFAARO C[C@H]([NH2+]CC1=Cc2ccccc2OC1)[C@H](C)n1cccn1 ZINC000069417264 374059168 /nfs/dbraw/zinc/05/91/68/374059168.db2.gz KGHATYXIAXOYAS-KBPBESRZSA-N 1 0 283.375 2.898 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)[C@H](C)n2cccn2)c(OC)c1 ZINC000069415637 374060121 /nfs/dbraw/zinc/06/01/21/374060121.db2.gz UEPVTHHAMLXYAE-OLZOCXBDSA-N 1 0 289.379 2.640 50 0 CFAARO O=C1CCCN1c1cccc(C[NH2+]Cc2cccc(O)c2)c1 ZINC000069452799 374064049 /nfs/dbraw/zinc/06/40/49/374064049.db2.gz JRLJUKRBXZZTDU-UHFFFAOYSA-N 1 0 296.370 2.809 50 0 CFAARO C[N@H+](Cc1ccccc1NS(C)(=O)=O)C1CCCCC1 ZINC000069474325 374066337 /nfs/dbraw/zinc/06/63/37/374066337.db2.gz NQHYGYZQOHLHFV-UHFFFAOYSA-N 1 0 296.436 2.823 50 0 CFAARO O=[S@@](CC[NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000069653450 374082698 /nfs/dbraw/zinc/08/26/98/374082698.db2.gz GTVSLMPHYDEQBK-HXUWFJFHSA-N 1 0 295.354 2.862 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccsc1 ZINC000069653923 374082715 /nfs/dbraw/zinc/08/27/15/374082715.db2.gz FPOZPKDBTRNYFN-KGLIPLIRSA-N 1 0 278.421 2.837 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)c1 ZINC000069490049 374067965 /nfs/dbraw/zinc/06/79/65/374067965.db2.gz BPXLILJPJKGVNN-HNNXBMFYSA-N 1 0 295.390 2.556 50 0 CFAARO COCCC[NH+]1CCC(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC000069485454 374068148 /nfs/dbraw/zinc/06/81/48/374068148.db2.gz DRQHCLQDVYLVLF-OAHLLOKOSA-N 1 0 298.471 2.676 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccsc1 ZINC000069521029 374070553 /nfs/dbraw/zinc/07/05/53/374070553.db2.gz MNRVFJVIBVDZAI-CABCVRRESA-N 1 0 292.448 2.766 50 0 CFAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC000069586771 374077131 /nfs/dbraw/zinc/07/71/31/374077131.db2.gz COADBZBYDBRHRN-CQSZACIVSA-N 1 0 295.814 2.576 50 0 CFAARO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCCCOC)C1 ZINC000069920569 374109907 /nfs/dbraw/zinc/10/99/07/374109907.db2.gz ISOYCHFYZSCXPK-CVEARBPZSA-N 1 0 298.471 2.820 50 0 CFAARO COc1cccc(CN(CCC[NH3+])c2cccc(F)c2)n1 ZINC000070093045 374125741 /nfs/dbraw/zinc/12/57/41/374125741.db2.gz RUULICKPQMVFEJ-UHFFFAOYSA-N 1 0 289.354 2.585 50 0 CFAARO C[NH+](C)CCOc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000069812288 374099744 /nfs/dbraw/zinc/09/97/44/374099744.db2.gz NCMVKRNRIODATO-UHFFFAOYSA-N 1 0 294.395 2.652 50 0 CFAARO CC(C)=CC[N@@H+]1CCCC[C@@H]1Cn1nc(C)nc1C ZINC000069815266 374100603 /nfs/dbraw/zinc/10/06/03/374100603.db2.gz LRKMVSLEFAPMMG-OAHLLOKOSA-N 1 0 262.401 2.716 50 0 CFAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc3ccccc3o1)CC2 ZINC000069876093 374104218 /nfs/dbraw/zinc/10/42/18/374104218.db2.gz CYCIKKDHUXBJHH-ZDUSSCGKSA-N 1 0 296.374 2.691 50 0 CFAARO c1ncn(C[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000069843711 374104301 /nfs/dbraw/zinc/10/43/01/374104301.db2.gz XDKPFPAGVWREFR-KRWDZBQOSA-N 1 0 284.407 2.623 50 0 CFAARO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)cn1 ZINC000069848139 374104587 /nfs/dbraw/zinc/10/45/87/374104587.db2.gz RTYMKITXVZVRGJ-OAHLLOKOSA-N 1 0 259.328 2.896 50 0 CFAARO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)c1 ZINC000069893071 374107405 /nfs/dbraw/zinc/10/74/05/374107405.db2.gz IPNNAFAOAVKXKE-ZDUSSCGKSA-N 1 0 282.347 2.689 50 0 CFAARO COc1cc(Cl)ccc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070172348 374136946 /nfs/dbraw/zinc/13/69/46/374136946.db2.gz WDIKIFQRMKEWGS-GHMZBOCLSA-N 1 0 296.798 2.548 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000070172419 374137003 /nfs/dbraw/zinc/13/70/03/374137003.db2.gz CHSVCOHMFRCAPJ-YPMHNXCESA-N 1 0 280.799 2.848 50 0 CFAARO C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253995 374156639 /nfs/dbraw/zinc/15/66/39/374156639.db2.gz MNANWJIWHLCNEX-OCCSQVGLSA-N 1 0 290.382 2.735 50 0 CFAARO CC[C@H](COC)[NH2+]Cc1ccccc1Br ZINC000070656697 374201302 /nfs/dbraw/zinc/20/13/02/374201302.db2.gz QADLOMJBZMETPW-LLVKDONJSA-N 1 0 272.186 2.964 50 0 CFAARO Nc1ccnc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)n1 ZINC000071763367 374221314 /nfs/dbraw/zinc/22/13/14/374221314.db2.gz PWLOECIQGHVFQL-CQSZACIVSA-N 1 0 298.390 2.506 50 0 CFAARO CC(C)c1nccc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)n1 ZINC000071753409 374221653 /nfs/dbraw/zinc/22/16/53/374221653.db2.gz FBRNKLMOMFJXFB-AWEZNQCLSA-N 1 0 276.428 2.515 50 0 CFAARO CCOc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000072442005 374253137 /nfs/dbraw/zinc/25/31/37/374253137.db2.gz ZRHKURBMQNVQRW-UHFFFAOYSA-N 1 0 296.798 2.563 50 0 CFAARO C[NH+](C)[C@H]1CCN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072448181 374253897 /nfs/dbraw/zinc/25/38/97/374253897.db2.gz YZPKZQDEVQNUJZ-KRWDZBQOSA-N 1 0 290.451 2.526 50 0 CFAARO c1ncc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)[nH]1 ZINC000072447197 374254246 /nfs/dbraw/zinc/25/42/46/374254246.db2.gz DDVVJUBAWBWBNL-GFCCVEGCSA-N 1 0 281.363 2.666 50 0 CFAARO C[C@@H](CN1CC2(CC[NH+](C)CC2)OC1=O)c1ccccc1 ZINC000072479446 374256627 /nfs/dbraw/zinc/25/66/27/374256627.db2.gz HQUUFBWPUDNFQA-AWEZNQCLSA-N 1 0 288.391 2.707 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc3c(c1)CCC3)C2 ZINC000072500780 374257814 /nfs/dbraw/zinc/25/78/14/374257814.db2.gz UTMDZPBDEOXSAY-DLBZAZTESA-N 1 0 299.418 2.876 50 0 CFAARO c1ccc2sc(N3CC[C@@H]([NH+]4CCCC4)C3)nc2c1 ZINC000072089568 374234685 /nfs/dbraw/zinc/23/46/85/374234685.db2.gz JRYJUQTYQFRJFD-GFCCVEGCSA-N 1 0 273.405 2.971 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cn3ccsc3n2)c1 ZINC000072269802 374238572 /nfs/dbraw/zinc/23/85/72/374238572.db2.gz NCNIBYBIVMMVSL-VXGBXAGGSA-N 1 0 289.408 2.640 50 0 CFAARO CCc1nc(Cl)c(C)c(N2CC[NH+](CC3CC3)CC2)n1 ZINC000072307836 374243469 /nfs/dbraw/zinc/24/34/69/374243469.db2.gz JYPYOPKVZJPVSR-UHFFFAOYSA-N 1 0 294.830 2.533 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNc1cc(C(C)C)nc2ccnn21 ZINC000072419218 374249488 /nfs/dbraw/zinc/24/94/88/374249488.db2.gz JQWYVUOJSIZOMY-ZDUSSCGKSA-N 1 0 287.411 2.749 50 0 CFAARO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccno1 ZINC000072772101 374283870 /nfs/dbraw/zinc/28/38/70/374283870.db2.gz XOHDPXPUQFBOFG-LBPRGKRZSA-N 1 0 260.337 2.746 50 0 CFAARO CCN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000074198739 374410044 /nfs/dbraw/zinc/41/00/44/374410044.db2.gz PNQMSJPFSAUDAW-UHFFFAOYSA-N 1 0 260.337 2.586 50 0 CFAARO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1C(F)(F)F ZINC000075110432 374458437 /nfs/dbraw/zinc/45/84/37/374458437.db2.gz AYMORIRDTGNWQU-OVWNDWIMSA-N 1 0 293.354 2.952 50 0 CFAARO CCc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000075131387 374459098 /nfs/dbraw/zinc/45/90/98/374459098.db2.gz HGKBPMQDPWFTKB-HOCLYGCPSA-N 1 0 296.418 2.823 50 0 CFAARO Cc1cc(N(C)C)nc(N2CCC[C@@H]2c2ccccn2)[nH+]1 ZINC000075122956 374459309 /nfs/dbraw/zinc/45/93/09/374459309.db2.gz IGPDATBXJPJUTF-CQSZACIVSA-N 1 0 283.379 2.588 50 0 CFAARO C[N@H+](Cc1ccncc1)[C@@H](CCO)c1ccccc1 ZINC000075900103 374510863 /nfs/dbraw/zinc/51/08/63/374510863.db2.gz ZKBISAVJZIRUTJ-INIZCTEOSA-N 1 0 256.349 2.637 50 0 CFAARO Cc1ccccc1[C@@H]1CCC[N@H+]1CCS(=O)(=O)C(C)C ZINC000079020148 374584608 /nfs/dbraw/zinc/58/46/08/374584608.db2.gz CMHCTNHRNMRNKQ-INIZCTEOSA-N 1 0 295.448 2.955 50 0 CFAARO C[C@H]1C[C@H](NCc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338358 374651507 /nfs/dbraw/zinc/65/15/07/374651507.db2.gz MZSLYYFQKYPXIQ-GOEBONIOSA-N 1 0 284.407 2.552 50 0 CFAARO CSC[C@H](CCO)Nc1cc[nH+]c2cc(F)ccc12 ZINC000083990577 374760554 /nfs/dbraw/zinc/76/05/54/374760554.db2.gz YTYCJSAGAXVRFR-NSHDSACASA-N 1 0 280.368 2.900 50 0 CFAARO [NH3+]Cc1cccc(C(F)(F)F)c1Br ZINC000081991193 374724243 /nfs/dbraw/zinc/72/42/43/374724243.db2.gz CMZWZSSUCWMZNR-UHFFFAOYSA-N 1 0 254.049 2.927 50 0 CFAARO c1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cs1 ZINC000082145944 374728223 /nfs/dbraw/zinc/72/82/23/374728223.db2.gz CEGRJLOOEYCSIS-ZDUSSCGKSA-N 1 0 267.394 2.566 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000084656505 374785204 /nfs/dbraw/zinc/78/52/04/374785204.db2.gz WGWDMBICIBRNAI-RHSMWYFYSA-N 1 0 285.391 2.729 50 0 CFAARO C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000089615149 374929560 /nfs/dbraw/zinc/92/95/60/374929560.db2.gz LQQICLSMIWSVQU-KBPBESRZSA-N 1 0 290.407 2.808 50 0 CFAARO C[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)[C@@H]1CO ZINC000089929843 374969972 /nfs/dbraw/zinc/96/99/72/374969972.db2.gz SMJLIBIQRQRUES-BLLLJJGKSA-N 1 0 288.366 2.967 50 0 CFAARO Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000089729436 374943243 /nfs/dbraw/zinc/94/32/43/374943243.db2.gz URYGJABSRQZHQT-HOCLYGCPSA-N 1 0 274.408 2.525 50 0 CFAARO OC[C@@H]1CCC[N@H+](CCc2ccccc2Cl)C1 ZINC000089813895 374956483 /nfs/dbraw/zinc/95/64/83/374956483.db2.gz BUBOZABOCCAUHR-GFCCVEGCSA-N 1 0 253.773 2.587 50 0 CFAARO c1cn([C@H]2CCC[C@@H]2[NH2+]Cc2ccc3c(c2)OCCO3)cn1 ZINC000089807032 374956635 /nfs/dbraw/zinc/95/66/35/374956635.db2.gz QNIUSDPZSBCFIH-GJZGRUSLSA-N 1 0 299.374 2.538 50 0 CFAARO C1CC1c1nsc(N2CCCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000089819110 374957686 /nfs/dbraw/zinc/95/76/86/374957686.db2.gz DENPGLDANXBDSP-CYBMUJFWSA-N 1 0 292.452 2.870 50 0 CFAARO OCC[N@H+](Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000089858129 374961528 /nfs/dbraw/zinc/96/15/28/374961528.db2.gz LHUITZQCIBUTAB-QGZVFWFLSA-N 1 0 268.360 2.563 50 0 CFAARO CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]Cc1ccc(C)o1 ZINC000089948946 374974632 /nfs/dbraw/zinc/97/46/32/374974632.db2.gz PKFNFGBCXMGKIT-HOCLYGCPSA-N 1 0 292.423 2.961 50 0 CFAARO CCOc1cc(Cl)ccc1NC(=O)N(C)CC[NH+](C)C ZINC000089990944 374983963 /nfs/dbraw/zinc/98/39/63/374983963.db2.gz NQNCQLUKDOVQAY-UHFFFAOYSA-N 1 0 299.802 2.764 50 0 CFAARO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C)s3)[C@H]2C1 ZINC000092095802 375087575 /nfs/dbraw/zinc/08/75/75/375087575.db2.gz UPRGKQRNXGHMTE-SNPRPXQTSA-N 1 0 281.421 2.825 50 0 CFAARO c1c[nH]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000091562950 375053417 /nfs/dbraw/zinc/05/34/17/375053417.db2.gz CYOBOTMRAGDKCL-DLBZAZTESA-N 1 0 296.418 2.506 50 0 CFAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000092740217 375147100 /nfs/dbraw/zinc/14/71/00/375147100.db2.gz PZZNJZGAADRDCA-XJKSGUPXSA-N 1 0 256.349 2.774 50 0 CFAARO C[C@@H]1C[C@@H](N(C)Cc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000093643707 375280853 /nfs/dbraw/zinc/28/08/53/375280853.db2.gz KCCCPYRKBYLFBM-ABAIWWIYSA-N 1 0 268.351 2.879 50 0 CFAARO Cc1nc(CN[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH]c1C ZINC000571582471 383707632 /nfs/dbraw/zinc/70/76/32/383707632.db2.gz RXBOEUSTQFMURB-PBHICJAKSA-N 1 0 286.423 2.808 50 0 CFAARO C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)C2CCS(=O)CC2)o1 ZINC000093659502 375289646 /nfs/dbraw/zinc/28/96/46/375289646.db2.gz BWHKKVQBIIFZNO-BWPGJZFPSA-N 1 0 281.421 2.746 50 0 CFAARO C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H]1CCOC1 ZINC000093839900 375319477 /nfs/dbraw/zinc/31/94/77/375319477.db2.gz XQLWIGUHQOZIGO-CQSZACIVSA-N 1 0 275.392 2.868 50 0 CFAARO CCn1cc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)cn1 ZINC000093593097 375271411 /nfs/dbraw/zinc/27/14/11/375271411.db2.gz ACEDYKOKFQBWDK-OAHLLOKOSA-N 1 0 285.391 2.901 50 0 CFAARO CCO[C@H]1C[C@H]([N@H+](C)Cc2cnc[nH]2)C12CCCC2 ZINC000093611039 375274001 /nfs/dbraw/zinc/27/40/01/375274001.db2.gz PMYFAPUPXBFQFA-KBPBESRZSA-N 1 0 263.385 2.579 50 0 CFAARO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccccc1N(C)C ZINC000093941914 375332685 /nfs/dbraw/zinc/33/26/85/375332685.db2.gz OBSWWRDZDPWWRZ-WFASDCNBSA-N 1 0 274.364 2.730 50 0 CFAARO CCOCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000095462196 375457237 /nfs/dbraw/zinc/45/72/37/375457237.db2.gz FVKXQNPVCGVIPF-CZUORRHYSA-N 1 0 279.380 2.717 50 0 CFAARO C[N@H+](CCc1cccs1)CCc1nccs1 ZINC000095973444 375465392 /nfs/dbraw/zinc/46/53/92/375465392.db2.gz OUSPTHFMMOQPNQ-UHFFFAOYSA-N 1 0 252.408 2.922 50 0 CFAARO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ccc(F)cc4n3)[C@@H]2C1 ZINC000095994856 375466594 /nfs/dbraw/zinc/46/65/94/375466594.db2.gz BBTOBVZBLRCIPD-CZUORRHYSA-N 1 0 285.366 2.904 50 0 CFAARO COc1ccc(C[NH2+]Cc2cccnc2-n2cccn2)cc1 ZINC000095350109 375417620 /nfs/dbraw/zinc/41/76/20/375417620.db2.gz KGIOIRIDXWRDFZ-UHFFFAOYSA-N 1 0 294.358 2.566 50 0 CFAARO Cc1cc(N2CCN(Cc3cccc(F)c3)CC2)cc[nH+]1 ZINC000095352173 375417929 /nfs/dbraw/zinc/41/79/29/375417929.db2.gz QFUNOGJVSNPFIW-UHFFFAOYSA-N 1 0 285.366 2.851 50 0 CFAARO CCCc1nnc(N2CCC(CC[NH+]3CCCC3)CC2)o1 ZINC000095370726 375422792 /nfs/dbraw/zinc/42/27/92/375422792.db2.gz AHVIISUEPIVTIG-UHFFFAOYSA-N 1 0 292.427 2.724 50 0 CFAARO Cc1cc[nH+]c(NCCNc2nccc(C(C)C)n2)c1 ZINC000095368174 375423904 /nfs/dbraw/zinc/42/39/04/375423904.db2.gz KLNBSGDEPURYBP-UHFFFAOYSA-N 1 0 271.368 2.827 50 0 CFAARO COc1cccc2c1OC[C@@H](Cc1ccccc1CC[NH3+])C2 ZINC000095377133 375424774 /nfs/dbraw/zinc/42/47/74/375424774.db2.gz IYOQKQSMKGYODW-AWEZNQCLSA-N 1 0 297.398 2.990 50 0 CFAARO CC[NH+]1CCC(CC(=O)N[C@H](C)c2ccc(C)nc2)CC1 ZINC000095386833 375426649 /nfs/dbraw/zinc/42/66/49/375426649.db2.gz PJYFRRNDIFJHLG-CQSZACIVSA-N 1 0 289.423 2.689 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1=CCCCC1 ZINC000095382028 375427540 /nfs/dbraw/zinc/42/75/40/375427540.db2.gz JLQHGHSUITZSDV-OAHLLOKOSA-N 1 0 264.413 2.868 50 0 CFAARO CC[NH+](CC)CCCNc1ncnc2nc(C)cc(C)c21 ZINC000095387009 375428171 /nfs/dbraw/zinc/42/81/71/375428171.db2.gz UCYHOPAOBKCTGH-UHFFFAOYSA-N 1 0 287.411 2.785 50 0 CFAARO O=C([C@@H]1CCC[N@@H+](CCC(F)(F)F)C1)N1CCCCC1 ZINC000095400263 375432138 /nfs/dbraw/zinc/43/21/38/375432138.db2.gz FZPURDKQEQXGRY-GFCCVEGCSA-N 1 0 292.345 2.663 50 0 CFAARO CCNC(=O)C[NH2+][C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095419403 375438844 /nfs/dbraw/zinc/43/88/44/375438844.db2.gz IYSVKLHRWBIMNH-VIFPVBQESA-N 1 0 288.363 2.788 50 0 CFAARO CN1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000095419523 375439447 /nfs/dbraw/zinc/43/94/47/375439447.db2.gz JQZRKBSEVSMCOJ-INIZCTEOSA-N 1 0 276.449 2.701 50 0 CFAARO OCC[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000095419457 375439533 /nfs/dbraw/zinc/43/95/33/375439533.db2.gz ADHAYONYLBKWOJ-NSHDSACASA-N 1 0 257.786 2.849 50 0 CFAARO CC(C)C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccn1 ZINC000095420701 375440240 /nfs/dbraw/zinc/44/02/40/375440240.db2.gz TYVVUWGOQFNOHV-OAHLLOKOSA-N 1 0 258.369 2.692 50 0 CFAARO c1cnn(CCC[NH2+][C@@H]2CSCCc3ccccc32)c1 ZINC000095419838 375440704 /nfs/dbraw/zinc/44/07/04/375440704.db2.gz VPKXUJYOMSRVJI-MRXNPFEDSA-N 1 0 287.432 2.893 50 0 CFAARO Cc1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1C ZINC000095423923 375441820 /nfs/dbraw/zinc/44/18/20/375441820.db2.gz YXKCHUAEHVSMNC-KGLIPLIRSA-N 1 0 283.437 2.777 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@@H]1CO)CCC2 ZINC000095423265 375442748 /nfs/dbraw/zinc/44/27/48/375442748.db2.gz XIGLKBRBAIQEPC-GRYCIOLGSA-N 1 0 280.437 2.834 50 0 CFAARO CN(Cc1cccs1)C(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000095427967 375443382 /nfs/dbraw/zinc/44/33/82/375443382.db2.gz XPOCVIVCRFVRGT-CQSZACIVSA-N 1 0 288.416 2.667 50 0 CFAARO Cc1cnccc1-c1ccc(OCCC[NH+](C)C)nc1 ZINC000096161666 375471856 /nfs/dbraw/zinc/47/18/56/375471856.db2.gz TUYXWUQWLXKSLS-UHFFFAOYSA-N 1 0 271.364 2.783 50 0 CFAARO C[C@H]1CCCCN1C(=O)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000095433945 375446573 /nfs/dbraw/zinc/44/65/73/375446573.db2.gz UIMHUKKOGBYEFX-LSDHHAIUSA-N 1 0 264.413 2.723 50 0 CFAARO CCC(CC)(C[NH2+]C[C@@H]1CC=CCC1)S(C)(=O)=O ZINC000095434067 375446854 /nfs/dbraw/zinc/44/68/54/375446854.db2.gz UCQXJBKVQPXICH-CYBMUJFWSA-N 1 0 273.442 2.536 50 0 CFAARO c1cn(-c2cc(C[NH2+]C[C@H]3CC=CCC3)ccn2)cn1 ZINC000095433923 375447076 /nfs/dbraw/zinc/44/70/76/375447076.db2.gz UGEPOTYQKLKCJI-AWEZNQCLSA-N 1 0 268.364 2.713 50 0 CFAARO Cc1ncc(C[NH2+][C@H](CCO)C2CCCCC2)s1 ZINC000095448790 375454039 /nfs/dbraw/zinc/45/40/39/375454039.db2.gz OFQXBLBKSDVPFA-CQSZACIVSA-N 1 0 268.426 2.872 50 0 CFAARO CC(C)[C@@H](C)[N@H+](Cc1cnc2ncccn12)C1CC1 ZINC000095453803 375455279 /nfs/dbraw/zinc/45/52/79/375455279.db2.gz YFVXAQLOZWCZST-GFCCVEGCSA-N 1 0 258.369 2.738 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCCOC2CCOCC2)C[C@@H]1C ZINC000097146657 375532237 /nfs/dbraw/zinc/53/22/37/375532237.db2.gz FXYPGOHNCSWAJC-ILXRZTDVSA-N 1 0 269.429 2.986 50 0 CFAARO Cc1n[nH]cc1CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000097159474 375533702 /nfs/dbraw/zinc/53/37/02/375533702.db2.gz STRDYPBHGKBHAU-KRWDZBQOSA-N 1 0 284.407 2.645 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000097159563 375534097 /nfs/dbraw/zinc/53/40/97/375534097.db2.gz CMDBAXUIGKSUOK-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000097159641 375534168 /nfs/dbraw/zinc/53/41/68/375534168.db2.gz QBBCNHORQHINTH-XHDPSFHLSA-N 1 0 265.401 2.711 50 0 CFAARO Cc1cc(C)nc(NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000097220628 375542164 /nfs/dbraw/zinc/54/21/64/375542164.db2.gz ZYHHENOGGDOATF-UHFFFAOYSA-N 1 0 296.418 2.954 50 0 CFAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cccn1C ZINC000097230194 375542258 /nfs/dbraw/zinc/54/22/58/375542258.db2.gz COLHJIRLWAMTOI-WCQYABFASA-N 1 0 264.394 2.688 50 0 CFAARO Cc1ccsc1C[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000097039067 375497994 /nfs/dbraw/zinc/49/79/94/375497994.db2.gz UOPBMNIQGRDZAW-AWEZNQCLSA-N 1 0 282.453 2.503 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000097048986 375502909 /nfs/dbraw/zinc/50/29/09/375502909.db2.gz DRXSFCXBBDWFOS-STQMWFEESA-N 1 0 273.384 2.536 50 0 CFAARO CC[NH+](CC)CCN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000097050875 375504646 /nfs/dbraw/zinc/50/46/46/375504646.db2.gz CAWLYXSOFRYCGN-AWEZNQCLSA-N 1 0 264.417 2.505 50 0 CFAARO Cc1ccc2ncc(C[N@@H+]3CCCSCC3)n2c1 ZINC000097058690 375506068 /nfs/dbraw/zinc/50/60/68/375506068.db2.gz XVLJROQOUVPYJM-UHFFFAOYSA-N 1 0 261.394 2.582 50 0 CFAARO C[C@@H]1[C@@H]([NH2+]CCc2cnn(C)c2)C[C@@H]1c1ccccc1 ZINC000097085069 375511702 /nfs/dbraw/zinc/51/17/02/375511702.db2.gz SYBGXTUVBNOJCY-JQFCIGGWSA-N 1 0 269.392 2.744 50 0 CFAARO Cc1ccc(-c2cc(C[NH2+][C@H](CO)C(C)C)on2)cc1 ZINC000097094662 375514941 /nfs/dbraw/zinc/51/49/41/375514941.db2.gz GHJJQMDYGBPAPV-MRXNPFEDSA-N 1 0 274.364 2.757 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000097101253 375518272 /nfs/dbraw/zinc/51/82/72/375518272.db2.gz KIYZBSIFXLCOIH-HOTGVXAUSA-N 1 0 279.424 2.860 50 0 CFAARO C[C@@H](C[N@@H+]1CCCN(C(N)=O)CC1)c1cccc(Cl)c1 ZINC000097103884 375518688 /nfs/dbraw/zinc/51/86/88/375518688.db2.gz SXYLEQIMIVCODF-LBPRGKRZSA-N 1 0 295.814 2.530 50 0 CFAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)o1 ZINC000097105584 375520365 /nfs/dbraw/zinc/52/03/65/375520365.db2.gz MSOISCPTCXZQTQ-SNVBAGLBSA-N 1 0 288.185 2.777 50 0 CFAARO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000097108870 375520947 /nfs/dbraw/zinc/52/09/47/375520947.db2.gz AVXKNTJCPSUGIS-DGCLKSJQSA-N 1 0 289.404 2.862 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]C[C@H](C)CS(C)(=O)=O)c(C)s1 ZINC000097109673 375521335 /nfs/dbraw/zinc/52/13/35/375521335.db2.gz QBKMUHRFOFFAOP-GXSJLCMTSA-N 1 0 289.466 2.696 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CO)o2)C12CCCCC2 ZINC000098018787 375589638 /nfs/dbraw/zinc/58/96/38/375589638.db2.gz MALMSKCPICUOCR-HOTGVXAUSA-N 1 0 293.407 2.989 50 0 CFAARO CC(C)=CC[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000097373687 375553241 /nfs/dbraw/zinc/55/32/41/375553241.db2.gz FGNLALSNYRWRID-RHSMWYFYSA-N 1 0 251.395 2.662 50 0 CFAARO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)[C@@H]1CCCO1 ZINC000097373189 375553677 /nfs/dbraw/zinc/55/36/77/375553677.db2.gz HTFLCRREPAIBSW-YUMQZZPRSA-N 1 0 280.315 2.819 50 0 CFAARO COc1cc(C[N@@H+]2CCCCC[C@H]2CO)ccc1F ZINC000097394132 375558923 /nfs/dbraw/zinc/55/89/23/375558923.db2.gz HXLSPVOYYMCMAG-ZDUSSCGKSA-N 1 0 267.344 2.571 50 0 CFAARO Cc1nnc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)[nH]1 ZINC000097480000 375566063 /nfs/dbraw/zinc/56/60/63/375566063.db2.gz DVTJUKRSBNTZNW-HNNXBMFYSA-N 1 0 270.380 2.883 50 0 CFAARO [NH3+]CC[C@@H]1CN(Cc2c(Cl)cccc2Cl)CCO1 ZINC000097515082 375568900 /nfs/dbraw/zinc/56/89/00/375568900.db2.gz WIUXZUXFHSXODX-SNVBAGLBSA-N 1 0 289.206 2.543 50 0 CFAARO COCc1cccc(C[NH2+]Cc2nc(C)ccc2O)c1 ZINC000103342545 375731970 /nfs/dbraw/zinc/73/19/70/375731970.db2.gz AECJAFVFZDQEKH-UHFFFAOYSA-N 1 0 272.348 2.532 50 0 CFAARO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C)C1)c1cccs1 ZINC000103932998 375762139 /nfs/dbraw/zinc/76/21/39/375762139.db2.gz XWPRXRQVSRXMKZ-VXGBXAGGSA-N 1 0 266.410 2.657 50 0 CFAARO Cc1cc(F)ccc1C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121210189 376781930 /nfs/dbraw/zinc/78/19/30/376781930.db2.gz PPEYEAACYPYLJI-UHFFFAOYSA-N 1 0 290.382 2.578 50 0 CFAARO O=C(c1cccc(F)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000069842652 296251108 /nfs/dbraw/zinc/25/11/08/296251108.db2.gz XDHKFQKOKGBTTC-INIZCTEOSA-N 1 0 290.382 2.916 50 0 CFAARO Cc1ccccc1C1CC([NH2+][C@@H](C)C(=O)N2CCCC2)C1 ZINC000134803711 378050311 /nfs/dbraw/zinc/05/03/11/378050311.db2.gz CQGOHNFBKILCKW-FHERZECASA-N 1 0 286.419 2.842 50 0 CFAARO Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000136132818 378182438 /nfs/dbraw/zinc/18/24/38/378182438.db2.gz HJZHMKBHCYHNOF-GFCCVEGCSA-N 1 0 253.773 2.853 50 0 CFAARO Cc1ccc(CCCC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)s1 ZINC000154133703 378541656 /nfs/dbraw/zinc/54/16/56/378541656.db2.gz OSHISXRGXYPQIT-VXGBXAGGSA-N 1 0 280.437 2.588 50 0 CFAARO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@H](C)[NH3+])cc1 ZINC000158054215 378662781 /nfs/dbraw/zinc/66/27/81/378662781.db2.gz LABHOCUJCIAKKI-SWLSCSKDSA-N 1 0 260.381 2.821 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000158913874 378674149 /nfs/dbraw/zinc/67/41/49/378674149.db2.gz YNVORQFCQSCTQT-HZPDHXFCSA-N 1 0 288.435 2.947 50 0 CFAARO C[C@H](CC[NH2+]Cc1ccc(Cl)cc1F)[S@](C)=O ZINC000160892714 378807519 /nfs/dbraw/zinc/80/75/19/378807519.db2.gz PFLMGLJQYWZNKH-VVVCHXIZSA-N 1 0 277.792 2.726 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000161581295 378858237 /nfs/dbraw/zinc/85/82/37/378858237.db2.gz PDXYWKACQPXLBC-OLZOCXBDSA-N 1 0 260.381 2.724 50 0 CFAARO OC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000163096101 378953763 /nfs/dbraw/zinc/95/37/63/378953763.db2.gz XAYAAPGAPBTTDZ-CQSZACIVSA-N 1 0 277.314 2.831 50 0 CFAARO CC[C@@H](CCO)[NH2+]Cc1sccc1Br ZINC000164999031 379029766 /nfs/dbraw/zinc/02/97/66/379029766.db2.gz LVMSSQQZRBKBTH-QMMMGPOBSA-N 1 0 278.215 2.761 50 0 CFAARO Cc1csc(=O)n1CC[N@H+](Cc1ccccn1)C(C)C ZINC000048290919 412902686 /nfs/dbraw/zinc/90/26/86/412902686.db2.gz ZBFQFFMHSJCUIR-UHFFFAOYSA-N 1 0 291.420 2.524 50 0 CFAARO Cc1ncsc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000168975975 379102160 /nfs/dbraw/zinc/10/21/60/379102160.db2.gz UFUQTMKCEBQASY-UBHSHLNASA-N 1 0 278.421 2.889 50 0 CFAARO Fc1ccc(N2CC[NH+](CC[C@H]3CCCCO3)CC2)cc1 ZINC000170594602 379121051 /nfs/dbraw/zinc/12/10/51/379121051.db2.gz SSOPSCHQKFNTPU-QGZVFWFLSA-N 1 0 292.398 2.907 50 0 CFAARO CCCc1noc(C[N@@H+]2CCCC[C@H](CCOC)C2)n1 ZINC000170597103 379124091 /nfs/dbraw/zinc/12/40/91/379124091.db2.gz MQXXOFWUESQEJA-CYBMUJFWSA-N 1 0 281.400 2.661 50 0 CFAARO CC(C)Cc1csc([C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000334343312 379125639 /nfs/dbraw/zinc/12/56/39/379125639.db2.gz LXFMPHCEZLNORT-QWHCGFSZSA-N 1 0 266.410 2.877 50 0 CFAARO CCCc1nc(C[NH2+][C@H]2CCC[C@]2(C)CO)cs1 ZINC000170607225 379126682 /nfs/dbraw/zinc/12/66/82/379126682.db2.gz QRUGONRZGVJHGI-GXTWGEPZSA-N 1 0 268.426 2.736 50 0 CFAARO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)CCOC(C)C ZINC000170606430 379127380 /nfs/dbraw/zinc/12/73/80/379127380.db2.gz VZECPGIGXOOZLN-HUUCEWRRSA-N 1 0 257.418 2.817 50 0 CFAARO [NH3+]C[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000170677137 379139005 /nfs/dbraw/zinc/13/90/05/379139005.db2.gz CBHHEACMYNTDDS-KRWDZBQOSA-N 1 0 296.370 2.946 50 0 CFAARO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2csc3ccccc23)C1 ZINC000178429486 380451139 /nfs/dbraw/zinc/45/11/39/380451139.db2.gz LMIDOZHLOQRPTQ-YPMHNXCESA-N 1 0 288.416 2.687 50 0 CFAARO C[NH2+]C1CCN(C(=O)c2ccc(F)c(CSC)c2)CC1 ZINC000179138991 380513786 /nfs/dbraw/zinc/51/37/86/380513786.db2.gz YXGFTLJKDZWJOK-UHFFFAOYSA-N 1 0 296.411 2.513 50 0 CFAARO Cc1c(C(=O)N2CC[C@@H](C[NH3+])C2)oc2c1c(C)ccc2C ZINC000178588810 380467860 /nfs/dbraw/zinc/46/78/60/380467860.db2.gz SHLMNLGHALDCHM-ZDUSSCGKSA-N 1 0 286.375 2.779 50 0 CFAARO CC[NH+](CC)CCSc1nnc(N2CCCC2)s1 ZINC000181319220 380774764 /nfs/dbraw/zinc/77/47/64/380774764.db2.gz DBSCFKGKKUMHBQ-UHFFFAOYSA-N 1 0 286.470 2.572 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000409420841 380959141 /nfs/dbraw/zinc/95/91/41/380959141.db2.gz NGCAGVWEAQIZTP-INIZCTEOSA-N 1 0 297.402 2.971 50 0 CFAARO Cc1c[nH+]c(C)n1CCC1CCN(C(=O)C2CCC2)CC1 ZINC000409420947 380959670 /nfs/dbraw/zinc/95/96/70/380959670.db2.gz KLDPYXXCKODIPZ-UHFFFAOYSA-N 1 0 289.423 2.929 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2)cn1 ZINC000408520867 380938416 /nfs/dbraw/zinc/93/84/16/380938416.db2.gz MUDHPXAFYJDCHR-CYBMUJFWSA-N 1 0 256.349 2.811 50 0 CFAARO Cn1cncc1CN1Cc2ccccc2OC(C)(C)C1 ZINC000288746269 381019580 /nfs/dbraw/zinc/01/95/80/381019580.db2.gz GDIXTBKQJYHQOM-UHFFFAOYSA-N 1 0 271.364 2.593 50 0 CFAARO C[NH+](C)CCCc1noc(C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000347267960 381037249 /nfs/dbraw/zinc/03/72/49/381037249.db2.gz QTAXDPLEZIFSFM-GJZGRUSLSA-N 1 0 285.391 2.910 50 0 CFAARO COc1cc([C@H](C)[NH2+]Cc2cccnc2C)ccn1 ZINC000342313452 381271783 /nfs/dbraw/zinc/27/17/83/381271783.db2.gz XIBMVCFFVNDTNU-NSHDSACASA-N 1 0 257.337 2.644 50 0 CFAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccco2)C1 ZINC000049479564 412948462 /nfs/dbraw/zinc/94/84/62/412948462.db2.gz SKBVMUNSWDQPKD-HSBSLETESA-N 1 0 276.380 2.529 50 0 CFAARO Cc1cccnc1C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185527312 381658782 /nfs/dbraw/zinc/65/87/82/381658782.db2.gz GZBQTUGKGODOBH-UHFFFAOYSA-N 1 0 282.387 2.874 50 0 CFAARO COc1cc(OC)cc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c1 ZINC000299872816 382051037 /nfs/dbraw/zinc/05/10/37/382051037.db2.gz NMEBYIBYZUPXFM-IXDOHACOSA-N 1 0 291.391 2.660 50 0 CFAARO C[C@@H](C[N@@H+]1CC[C@H](CO)C1)c1cccc(Cl)c1 ZINC000187103744 382100850 /nfs/dbraw/zinc/10/08/50/382100850.db2.gz MMFRHRRTGDGTNL-RYUDHWBXSA-N 1 0 253.773 2.758 50 0 CFAARO Cc1noc(C)c1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187510777 382199829 /nfs/dbraw/zinc/19/98/29/382199829.db2.gz MLLIQVRPRCTEBH-UHFFFAOYSA-N 1 0 274.364 2.809 50 0 CFAARO Cc1nc(CO[C@H]2CCN(c3cc[nH+]cc3C)C2)cs1 ZINC000377180147 382232646 /nfs/dbraw/zinc/23/26/46/382232646.db2.gz RBSBCPVDPIXFDU-AWEZNQCLSA-N 1 0 289.404 2.950 50 0 CFAARO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000188449467 382417448 /nfs/dbraw/zinc/41/74/48/382417448.db2.gz MWWHHDZPULCMKS-IRXDYDNUSA-N 1 0 284.407 2.768 50 0 CFAARO Cc1ccc(C)c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000328588786 382550152 /nfs/dbraw/zinc/55/01/52/382550152.db2.gz PZMDYKCGLGEHRH-KRWDZBQOSA-N 1 0 299.418 2.972 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)C1 ZINC000191363892 382699108 /nfs/dbraw/zinc/69/91/08/382699108.db2.gz ULLZZGMDYFTKLL-MXWKQRLJSA-N 1 0 296.773 2.532 50 0 CFAARO CC[NH+]1CCN(c2cccc(NCc3ccccn3)c2)CC1 ZINC000191886238 382703114 /nfs/dbraw/zinc/70/31/14/382703114.db2.gz SRLXAALNGDPIPS-UHFFFAOYSA-N 1 0 296.418 2.836 50 0 CFAARO CC(=O)N1CCC(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193131735 382716321 /nfs/dbraw/zinc/71/63/21/382716321.db2.gz GOEBSPYLULVTBD-DOMZBBRYSA-N 1 0 266.429 2.659 50 0 CFAARO C[N@H+](CCn1cccn1)[C@H]1CCCc2ccccc21 ZINC000193902748 382728592 /nfs/dbraw/zinc/72/85/92/382728592.db2.gz CPWBMICLURWWML-INIZCTEOSA-N 1 0 255.365 2.893 50 0 CFAARO Cc1n[nH]cc1CN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000195565069 382769767 /nfs/dbraw/zinc/76/97/67/382769767.db2.gz SJBBYRSISCASII-ZDUSSCGKSA-N 1 0 290.436 2.658 50 0 CFAARO CCCn1ccnc1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000215279100 382777972 /nfs/dbraw/zinc/77/79/72/382777972.db2.gz OMZAGCBHUDUEEA-KRWDZBQOSA-N 1 0 298.434 2.782 50 0 CFAARO Cc1ccc(F)c(CNC(=O)C[C@@H]2CCCC[N@H+]2C)c1F ZINC000215351644 382778439 /nfs/dbraw/zinc/77/84/39/382778439.db2.gz MPRONOBXSSSBSL-LBPRGKRZSA-N 1 0 296.361 2.764 50 0 CFAARO CCSc1ncc(C[N@@H+]2CCCC[C@@H]2CCOC)cn1 ZINC000215518630 382778928 /nfs/dbraw/zinc/77/89/28/382778928.db2.gz IPSNKOFKEJBSJZ-CQSZACIVSA-N 1 0 295.452 2.980 50 0 CFAARO CS[C@@H](C)CC[N@H+](C)Cc1cnc2ccccn12 ZINC000215470572 382778980 /nfs/dbraw/zinc/77/89/80/382778980.db2.gz MSMPOMMPPZSEGH-LBPRGKRZSA-N 1 0 263.410 2.908 50 0 CFAARO c1cn(CCCOc2ccc(C[NH+]3CCC3)cc2)cn1 ZINC000215537454 382779069 /nfs/dbraw/zinc/77/90/69/382779069.db2.gz OLEIOCKFTYWEQZ-UHFFFAOYSA-N 1 0 271.364 2.558 50 0 CFAARO CS[C@H](C)CC[N@H+](C)Cc1cnc2ccccn12 ZINC000215470620 382779221 /nfs/dbraw/zinc/77/92/21/382779221.db2.gz MSMPOMMPPZSEGH-GFCCVEGCSA-N 1 0 263.410 2.908 50 0 CFAARO CSCCC[N@@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000215715371 382780205 /nfs/dbraw/zinc/78/02/05/382780205.db2.gz KBMXRINUYCCGLW-OAHLLOKOSA-N 1 0 265.422 2.641 50 0 CFAARO Cc1nnc([C@@H]2CCCN2CC(C)(C)[NH+]2CCCCC2)[nH]1 ZINC000215847653 382780601 /nfs/dbraw/zinc/78/06/01/382780601.db2.gz SQUHOTTZFXOQBY-AWEZNQCLSA-N 1 0 291.443 2.515 50 0 CFAARO COC[C@@H]1CCC[N@@H+]1Cc1cnn(-c2cccc(F)c2)c1 ZINC000215881766 382780691 /nfs/dbraw/zinc/78/06/91/382780691.db2.gz UOVSOPNSMUWQLF-INIZCTEOSA-N 1 0 289.354 2.622 50 0 CFAARO CN(Cc1cscn1)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000215885068 382780793 /nfs/dbraw/zinc/78/07/93/382780793.db2.gz IIMXIMDPUVEPBO-UHFFFAOYSA-N 1 0 273.405 2.721 50 0 CFAARO Cc1cc(C)n(-c2cccc(C[N@H+](C)C[C@@H]3CCOC3)c2)n1 ZINC000216313837 382782911 /nfs/dbraw/zinc/78/29/11/382782911.db2.gz VTFMBCXYELPPNV-KRWDZBQOSA-N 1 0 299.418 2.957 50 0 CFAARO CCOC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(COC)c1 ZINC000216347748 382783249 /nfs/dbraw/zinc/78/32/49/382783249.db2.gz SAEGMGKKSLABER-MRXNPFEDSA-N 1 0 293.407 2.843 50 0 CFAARO Cc1ncccc1C(=O)NCC1([NH+]2CCCC2)CCCC1 ZINC000220086206 382795037 /nfs/dbraw/zinc/79/50/37/382795037.db2.gz CBGLNLPBVZWCQS-UHFFFAOYSA-N 1 0 287.407 2.528 50 0 CFAARO Cc1cc(F)ccc1C[NH+]1CCC2(CCC(=O)NC2)CC1 ZINC000216410184 382783585 /nfs/dbraw/zinc/78/35/85/382783585.db2.gz ITCTVZQXWJLCOV-UHFFFAOYSA-N 1 0 290.382 2.626 50 0 CFAARO C[C@H](C[NH2+]C1CCC(S(C)(=O)=O)CC1)c1ccccc1 ZINC000194476384 382745074 /nfs/dbraw/zinc/74/50/74/382745074.db2.gz FXRPXUQKOBULQV-IUDNXUCKSA-N 1 0 295.448 2.736 50 0 CFAARO CC/C=C\CCC[N@@H+]1CCCn2nc([C@H](C)O)cc2C1 ZINC000221374960 382798087 /nfs/dbraw/zinc/79/80/87/382798087.db2.gz BDCOJKPIGAGNJA-WSNITJDQSA-N 1 0 277.412 2.889 50 0 CFAARO CCCCCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CNC(=O)C1 ZINC000221829763 382799934 /nfs/dbraw/zinc/79/99/34/382799934.db2.gz LREAMVOATQIAJB-HZSPNIEDSA-N 1 0 252.402 2.604 50 0 CFAARO O[C@@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000222198223 382801566 /nfs/dbraw/zinc/80/15/66/382801566.db2.gz JNOIPYNYOJXYSP-RDJZCZTQSA-N 1 0 297.402 2.549 50 0 CFAARO CSc1ccccc1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000222797062 382803192 /nfs/dbraw/zinc/80/31/92/382803192.db2.gz URJRWOOIFUKWMR-OLZOCXBDSA-N 1 0 290.432 2.717 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000225228559 382813577 /nfs/dbraw/zinc/81/35/77/382813577.db2.gz XQDKPUIIDNGSCQ-HIFRSBDPSA-N 1 0 274.364 2.744 50 0 CFAARO C([C@H]1CCCCO1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000225233667 382813627 /nfs/dbraw/zinc/81/36/27/382813627.db2.gz RMDOAPZLYOTABJ-DLBZAZTESA-N 1 0 280.456 2.896 50 0 CFAARO CCS[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC000225386032 382814942 /nfs/dbraw/zinc/81/49/42/382814942.db2.gz CYOQBFYJJCAQPS-WCQYABFASA-N 1 0 266.410 2.854 50 0 CFAARO CCS[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC000225386144 382815136 /nfs/dbraw/zinc/81/51/36/382815136.db2.gz CYOQBFYJJCAQPS-YPMHNXCESA-N 1 0 266.410 2.854 50 0 CFAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000225416057 382815923 /nfs/dbraw/zinc/81/59/23/382815923.db2.gz DHYHMGVYMSSEIQ-GRYCIOLGSA-N 1 0 273.442 2.695 50 0 CFAARO C[C@@H](c1ccccn1)N1CC[NH+](CCCCCF)CC1 ZINC000225468918 382816621 /nfs/dbraw/zinc/81/66/21/382816621.db2.gz VKRKNBQTRBWFSM-HNNXBMFYSA-N 1 0 279.403 2.900 50 0 CFAARO C[NH+](C)CCn1cc(NCc2ccc(Cl)cc2F)cn1 ZINC000225463492 382816945 /nfs/dbraw/zinc/81/69/45/382816945.db2.gz XERSVOWFQYCDCV-UHFFFAOYSA-N 1 0 296.777 2.849 50 0 CFAARO FCCC[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000225484125 382817089 /nfs/dbraw/zinc/81/70/89/382817089.db2.gz KXLWXFNTNSCZBX-UHFFFAOYSA-N 1 0 251.330 2.654 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000225578779 382818377 /nfs/dbraw/zinc/81/83/77/382818377.db2.gz WKFQLSWBGAJWCD-WMLDXEAASA-N 1 0 274.408 2.781 50 0 CFAARO C[NH+](C)C[C@H](NC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000225790840 382821653 /nfs/dbraw/zinc/82/16/53/382821653.db2.gz MIHDZFVEYQSMNP-AWEZNQCLSA-N 1 0 291.782 2.701 50 0 CFAARO C[N@@H+]1C[C@H](C(=O)NCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000226751730 382831336 /nfs/dbraw/zinc/83/13/36/382831336.db2.gz ZJWWAGNNJPQPEN-MSOLQXFVSA-N 1 0 294.398 2.648 50 0 CFAARO CC(C)c1ccc(N(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000236663823 382904345 /nfs/dbraw/zinc/90/43/45/382904345.db2.gz XFJPXIJVOMWQCO-KBPBESRZSA-N 1 0 260.381 2.900 50 0 CFAARO CC(C)C[C@H](C)OCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229869280 382853485 /nfs/dbraw/zinc/85/34/85/382853485.db2.gz MYXTVALRDZDKKO-JYJNAYRXSA-N 1 0 296.455 2.571 50 0 CFAARO CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229869264 382853660 /nfs/dbraw/zinc/85/36/60/382853660.db2.gz MYXTVALRDZDKKO-XHSDSOJGSA-N 1 0 296.455 2.571 50 0 CFAARO Cc1cnn(-c2ccc(N[C@H]3C[N@@H+](C)C[C@H]3C)cc2F)c1 ZINC000230181161 382857075 /nfs/dbraw/zinc/85/70/75/382857075.db2.gz FGGABPFQXWWFAE-DOMZBBRYSA-N 1 0 288.370 2.682 50 0 CFAARO C[NH+](C)CCCOc1ccc(Br)cc1F ZINC000230532195 382861330 /nfs/dbraw/zinc/86/13/30/382861330.db2.gz YQWCCQQYVXDQID-UHFFFAOYSA-N 1 0 276.149 2.919 50 0 CFAARO CNC(=O)c1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000237051263 382947059 /nfs/dbraw/zinc/94/70/59/382947059.db2.gz ZXIHCIKSECRILI-UHFFFAOYSA-N 1 0 293.370 2.817 50 0 CFAARO COc1ccccc1[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C(C)(C)C ZINC000237278348 382954937 /nfs/dbraw/zinc/95/49/37/382954937.db2.gz FGTHWKYPPKQROV-DOMZBBRYSA-N 1 0 290.407 2.508 50 0 CFAARO COc1ccc(N(C(=O)CC(C)(C)[NH3+])[C@@H](C)C2CC2)cc1 ZINC000237248006 382955552 /nfs/dbraw/zinc/95/55/52/382955552.db2.gz QBPOZZVLBYWCMI-LBPRGKRZSA-N 1 0 290.407 2.954 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000237487022 382961963 /nfs/dbraw/zinc/96/19/63/382961963.db2.gz HQVQJLBWVFCUFF-WMLDXEAASA-N 1 0 296.414 2.968 50 0 CFAARO CCC(CC)(C[NH3+])NC(=O)c1cc(-c2ccccc2)on1 ZINC000236795169 382918835 /nfs/dbraw/zinc/91/88/35/382918835.db2.gz SETGCWXNSFLGHX-UHFFFAOYSA-N 1 0 287.363 2.589 50 0 CFAARO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000237800492 382971696 /nfs/dbraw/zinc/97/16/96/382971696.db2.gz APNQIONQZPVORK-VXGBXAGGSA-N 1 0 299.201 2.529 50 0 CFAARO Cn1cncc1C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000237932125 382974052 /nfs/dbraw/zinc/97/40/52/382974052.db2.gz KBTJMTNQCIPPAQ-KRWDZBQOSA-N 1 0 298.434 2.564 50 0 CFAARO Cn1cncc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000237942967 382974513 /nfs/dbraw/zinc/97/45/13/382974513.db2.gz ODVJWGSSCWDPNK-CYBMUJFWSA-N 1 0 277.368 2.886 50 0 CFAARO CC(C)Cn1cncc1C[N@H+](C)CCC1CCOCC1 ZINC000240824811 382982339 /nfs/dbraw/zinc/98/23/39/382982339.db2.gz QLBSLACTMOESTR-UHFFFAOYSA-N 1 0 279.428 2.788 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH2+]CCn2cnnc2C2CC2)[C@H]1C ZINC000241515579 382983494 /nfs/dbraw/zinc/98/34/94/382983494.db2.gz OGIFXGZKBALTDY-MBNYWOFBSA-N 1 0 262.401 2.570 50 0 CFAARO C[C@@H](C1CC1)[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000241776828 382984800 /nfs/dbraw/zinc/98/48/00/382984800.db2.gz RTAJWLIATTVDJQ-QWHCGFSZSA-N 1 0 282.428 2.974 50 0 CFAARO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1cccs1 ZINC000242292540 382985646 /nfs/dbraw/zinc/98/56/46/382985646.db2.gz YNBWQYZNPYOSMS-YRGRVCCFSA-N 1 0 253.411 2.772 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2 ZINC000242648791 382986634 /nfs/dbraw/zinc/98/66/34/382986634.db2.gz RIJFNUHYNBVLOZ-XFMPKHEZSA-N 1 0 284.359 2.655 50 0 CFAARO O[C@H]1C[C@@H]([C@H]([NH2+]C2Cc3ccccc3C2)c2ccccn2)C1 ZINC000243901548 382988424 /nfs/dbraw/zinc/98/84/24/382988424.db2.gz BCHKZPQCPLFRIV-WDYCEAGBSA-N 1 0 294.398 2.651 50 0 CFAARO O[C@H]1C[C@@H]([C@@H]([NH2+]C2Cc3ccccc3C2)c2ccccn2)C1 ZINC000243901547 382988567 /nfs/dbraw/zinc/98/85/67/382988567.db2.gz BCHKZPQCPLFRIV-HHXXYDBFSA-N 1 0 294.398 2.651 50 0 CFAARO COc1cccc2c1OCCC[N@H+](C[C@@H]1CCCOC1)C2 ZINC000244626695 382989507 /nfs/dbraw/zinc/98/95/07/382989507.db2.gz FQRUMEBZVCWSKF-AWEZNQCLSA-N 1 0 291.391 2.706 50 0 CFAARO Cc1ccc2[nH]c(CN3CCC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000244633489 382990063 /nfs/dbraw/zinc/99/00/63/382990063.db2.gz GDWKZHWQXWOUSP-AWEZNQCLSA-N 1 0 284.407 2.541 50 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CFAARO COc1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000252486791 393935460 /nfs/dbraw/zinc/93/54/60/393935460.db2.gz NGHYVUFFYNSIIJ-GOEBONIOSA-N 1 0 261.365 2.696 50 0 CFAARO CCc1ccccc1N1CC[NH+](CCC(C)(C)O)CC1 ZINC000252499330 393936141 /nfs/dbraw/zinc/93/61/41/393936141.db2.gz RYYAFCFMXDKGCY-UHFFFAOYSA-N 1 0 276.424 2.532 50 0 CFAARO Cc1ccc(C[n+]2cnn(Cc3ccccc3C)c2)cc1 ZINC000252495786 393936298 /nfs/dbraw/zinc/93/62/98/393936298.db2.gz PABHOYNFTWLDLQ-UHFFFAOYSA-N 1 0 278.379 2.884 50 0 CFAARO CC[C@H](CSc1ccccc1)NC(=O)C1CC[NH2+]CC1 ZINC000252509659 393937026 /nfs/dbraw/zinc/93/70/26/393937026.db2.gz YTEARJZDCXXXOZ-CQSZACIVSA-N 1 0 292.448 2.673 50 0 CFAARO [NH3+]Cc1ccc(F)c(Br)c1Br ZINC000263622968 393963829 /nfs/dbraw/zinc/96/38/29/393963829.db2.gz CLVAANFXTQZOFG-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO CCn1cnnc1C[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000122932451 393973117 /nfs/dbraw/zinc/97/31/17/393973117.db2.gz XXJHXPGVHQPPHX-LSDHHAIUSA-N 1 0 284.407 2.970 50 0 CFAARO COC(=O)c1ccc(C[N@H+](C)CC2=CCCCC2)nc1 ZINC000521396545 394381031 /nfs/dbraw/zinc/38/10/31/394381031.db2.gz YIDCXAWNCPENEC-UHFFFAOYSA-N 1 0 274.364 2.800 50 0 CFAARO CNC(=O)[C@@H]([NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C(C)C ZINC000529557899 394409943 /nfs/dbraw/zinc/40/99/43/394409943.db2.gz YWBJTEJGAIEWPA-KGLIPLIRSA-N 1 0 298.789 2.827 50 0 CFAARO O=c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc2ccccn12 ZINC000026880237 542988755 /nfs/dbraw/zinc/98/87/55/542988755.db2.gz OZEMTDMKEMZKEZ-LSDHHAIUSA-N 1 0 297.402 2.707 50 0 CFAARO Cc1ccc(Cl)c2sc(N3CC[NH2+]CC3)nc21 ZINC000011919937 397538289 /nfs/dbraw/zinc/53/82/89/397538289.db2.gz HZWVLFMXHKIWDI-UHFFFAOYSA-N 1 0 267.785 2.668 50 0 CFAARO C[C@H]([NH3+])[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000575442452 397584564 /nfs/dbraw/zinc/58/45/64/397584564.db2.gz RARGVNNUZLSYKM-QEJZJMRPSA-N 1 0 276.380 2.819 50 0 CFAARO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1CO)CCCO2 ZINC000107525725 397597518 /nfs/dbraw/zinc/59/75/18/397597518.db2.gz RKVQQUXVHMWKSB-APHBMKBZSA-N 1 0 291.391 2.660 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]1CO)CCC2 ZINC000108115997 397598000 /nfs/dbraw/zinc/59/80/00/397598000.db2.gz XIGLKBRBAIQEPC-SDDRHHMPSA-N 1 0 280.437 2.834 50 0 CFAARO c1n[nH]cc1[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000108858281 397598336 /nfs/dbraw/zinc/59/83/36/397598336.db2.gz COXXFAQVKOSKBU-GFCCVEGCSA-N 1 0 286.379 2.656 50 0 CFAARO Cc1c([C@@H]2CCC[N@@H+]2Cc2ccc(O)cc2)cnn1C ZINC000195575893 397612059 /nfs/dbraw/zinc/61/20/59/397612059.db2.gz KFPXNXWUZDLOGE-INIZCTEOSA-N 1 0 271.364 2.771 50 0 CFAARO COc1cccc(C2CC[NH+]([C@H]3CCOC3)CC2)c1F ZINC000367003601 156263808 /nfs/dbraw/zinc/26/38/08/156263808.db2.gz ONNKPULGFNFAQH-ZDUSSCGKSA-N 1 0 279.355 2.803 50 0 CFAARO C[C@@H](CC(N)=O)[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000095969234 286800494 /nfs/dbraw/zinc/80/04/94/286800494.db2.gz MMWXUHSICHQZJP-MEDUHNTESA-N 1 0 278.371 2.911 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]CCc1nc2ccccc2s1 ZINC000348890211 162917079 /nfs/dbraw/zinc/91/70/79/162917079.db2.gz DKWILILGXDCXOE-LBPRGKRZSA-N 1 0 286.404 2.714 50 0 CFAARO C[C@@H](c1ccccc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000008317343 287149863 /nfs/dbraw/zinc/14/98/63/287149863.db2.gz BRUQDECUANRDPQ-JTQLQIEISA-N 1 0 266.772 2.598 50 0 CFAARO COCCC[NH2+]CCOc1ccc(Cl)cc1C ZINC000002931899 169844930 /nfs/dbraw/zinc/84/49/30/169844930.db2.gz PMGVVGRQXDFBSW-UHFFFAOYSA-N 1 0 257.761 2.653 50 0 CFAARO CCCC[NH2+]CCOCCOc1ccccc1F ZINC000002981005 169846854 /nfs/dbraw/zinc/84/68/54/169846854.db2.gz SGZPMBZNANRSEZ-UHFFFAOYSA-N 1 0 255.333 2.611 50 0 CFAARO COc1cccc(COC[C@@H](O)C[NH+](C(C)C)C(C)C)c1 ZINC000003456644 169889462 /nfs/dbraw/zinc/88/94/62/169889462.db2.gz XUJWBAPICOYTQL-INIZCTEOSA-N 1 0 295.423 2.692 50 0 CFAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000004744645 170010142 /nfs/dbraw/zinc/01/01/42/170010142.db2.gz CZIFGFIRYFLDKX-CYBMUJFWSA-N 1 0 276.380 2.756 50 0 CFAARO COc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000004744647 170010204 /nfs/dbraw/zinc/01/02/04/170010204.db2.gz CZIFGFIRYFLDKX-ZDUSSCGKSA-N 1 0 276.380 2.756 50 0 CFAARO Cc1ccccc1NC(=O)N(C)C1CC[NH+](C)CC1 ZINC000004820432 170023249 /nfs/dbraw/zinc/02/32/49/170023249.db2.gz SMMLIHVQHLIAEC-UHFFFAOYSA-N 1 0 261.369 2.553 50 0 CFAARO Cc1ccc2[nH]c3c(ncnc3NCC[NH+]3CCCC3)c2c1 ZINC000004824540 170024405 /nfs/dbraw/zinc/02/44/05/170024405.db2.gz LPVSHVPVOBNGCY-UHFFFAOYSA-N 1 0 295.390 2.927 50 0 CFAARO CC(=O)c1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004842827 170028933 /nfs/dbraw/zinc/02/89/33/170028933.db2.gz PJQLVHHZYRUUSX-ZDUSSCGKSA-N 1 0 261.365 3.000 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000004991137 170050733 /nfs/dbraw/zinc/05/07/33/170050733.db2.gz IPVWOPHFISNMMO-CQSZACIVSA-N 1 0 273.332 2.801 50 0 CFAARO C[C@H](NC(=O)[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000005014216 170055784 /nfs/dbraw/zinc/05/57/84/170055784.db2.gz JDSHDPXJSYUYKA-KBPBESRZSA-N 1 0 260.381 2.738 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000005446866 170099734 /nfs/dbraw/zinc/09/97/34/170099734.db2.gz VXWCVTFAHVMOOZ-HOCLYGCPSA-N 1 0 277.408 2.775 50 0 CFAARO COc1ccc(/C=C\C(=O)OCC[N@H+](C)C(C)(C)C)cc1 ZINC000005832855 170144943 /nfs/dbraw/zinc/14/49/43/170144943.db2.gz SNDHSZQLNXKMTR-FLIBITNWSA-N 1 0 291.391 2.982 50 0 CFAARO C[C@H](O)C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000005911931 170154106 /nfs/dbraw/zinc/15/41/06/170154106.db2.gz USIUCIGVPYRFLF-ZDUSSCGKSA-N 1 0 289.350 2.875 50 0 CFAARO C[C@@H](O)C[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000005912752 170154847 /nfs/dbraw/zinc/15/48/47/170154847.db2.gz ZPPDEDVQDDIOQP-CYBMUJFWSA-N 1 0 289.350 2.875 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c(OC)c1 ZINC000006642139 170221301 /nfs/dbraw/zinc/22/13/01/170221301.db2.gz HKAXPSOXPITRAT-PVAVHDDUSA-N 1 0 291.391 2.660 50 0 CFAARO C[NH+](C)CCNC(=O)c1cccc(Oc2ccccc2)c1 ZINC000006730412 170235331 /nfs/dbraw/zinc/23/53/31/170235331.db2.gz UPJFBDZLPQOPIB-UHFFFAOYSA-N 1 0 284.359 2.770 50 0 CFAARO CC(C)[C@H](CC[NH2+]CCCN1CCOCC1)c1ccco1 ZINC000006764339 170242077 /nfs/dbraw/zinc/24/20/77/170242077.db2.gz AECBQGZXNSJBRA-INIZCTEOSA-N 1 0 294.439 2.721 50 0 CFAARO CC(C)[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2 ZINC000006817151 170246256 /nfs/dbraw/zinc/24/62/56/170246256.db2.gz LNGUEHNGUJMNDO-UHFFFAOYSA-N 1 0 287.432 2.607 50 0 CFAARO OCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000006889913 170253583 /nfs/dbraw/zinc/25/35/83/170253583.db2.gz SOMDNLOABPAGOW-UHFFFAOYSA-N 1 0 271.360 2.738 50 0 CFAARO COCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000008469094 170336968 /nfs/dbraw/zinc/33/69/68/170336968.db2.gz KETRWHVYTDQZLB-UHFFFAOYSA-N 1 0 264.152 2.738 50 0 CFAARO C[C@@H](CO)[NH2+]CCCSc1ccc(Cl)cc1 ZINC000008749840 170354480 /nfs/dbraw/zinc/35/44/80/170354480.db2.gz RKNBFDJFDLOIBQ-JTQLQIEISA-N 1 0 259.802 2.793 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000009051786 170362709 /nfs/dbraw/zinc/36/27/09/170362709.db2.gz PTXBLCTVHCUHKU-UHFFFAOYSA-N 1 0 281.787 2.947 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(C=O)cc2)C1 ZINC000009261280 170369403 /nfs/dbraw/zinc/36/94/03/170369403.db2.gz RAKUMOBFTRTYFN-OKILXGFUSA-N 1 0 261.365 2.856 50 0 CFAARO C1=C/C(=C2\NN=C(SCCc3ccccc3)O2)[NH+]=C1 ZINC000009582370 170382216 /nfs/dbraw/zinc/38/22/16/170382216.db2.gz KCYQNYYLHFWMTL-SEYXRHQNSA-N 1 0 271.345 2.663 50 0 CFAARO Cc1cc(C)cc(NC(=[NH2+])NCCCn2ccnc2)c1 ZINC000009972266 170392319 /nfs/dbraw/zinc/39/23/19/170392319.db2.gz VPCKIHSNTMCDKC-UHFFFAOYSA-N 1 0 271.368 2.527 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1cccs1)c1ccccc1 ZINC000010017750 170395457 /nfs/dbraw/zinc/39/54/57/170395457.db2.gz MFVLWLWEUAYIRE-ZDUSSCGKSA-N 1 0 274.389 2.781 50 0 CFAARO O=C(CC[N@@H+]1CCc2sccc2C1)NC1CCCCC1 ZINC000010093105 170397293 /nfs/dbraw/zinc/39/72/93/170397293.db2.gz FCAXPHICHKDYST-UHFFFAOYSA-N 1 0 292.448 2.945 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)CSc2ccccc2)CC1 ZINC000012382510 170482484 /nfs/dbraw/zinc/48/24/84/170482484.db2.gz OUQKXMGHLUAGAH-UHFFFAOYSA-N 1 0 292.448 2.768 50 0 CFAARO COc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013645905 170572775 /nfs/dbraw/zinc/57/27/75/170572775.db2.gz RCOYFHPYGKDDCJ-UHFFFAOYSA-N 1 0 290.407 2.691 50 0 CFAARO CC[NH2+]CC[C@@H]1CCC(=O)N1C[C@@H](C)c1ccccc1 ZINC000014967645 170650110 /nfs/dbraw/zinc/65/01/10/170650110.db2.gz WMGSOPJTXJGKJJ-ZBFHGGJFSA-N 1 0 274.408 2.781 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCOCC)cc1 ZINC000020092223 170991379 /nfs/dbraw/zinc/99/13/79/170991379.db2.gz UUVAUIQCTCUTDI-UHFFFAOYSA-N 1 0 251.370 2.992 50 0 CFAARO c1c[nH]c(CN[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000020234986 171095237 /nfs/dbraw/zinc/09/52/37/171095237.db2.gz LXQYIIZUSFFAKH-OAHLLOKOSA-N 1 0 276.428 2.544 50 0 CFAARO CC(C)(C)c1cc(Cl)ccc1OCCN1CC[NH2+]CC1 ZINC000020272822 171127751 /nfs/dbraw/zinc/12/77/51/171127751.db2.gz DKPQMZWNBUQTON-UHFFFAOYSA-N 1 0 296.842 2.922 50 0 CFAARO CC[C@H](C)c1ccccc1OCC[NH2+]CCN(C)C ZINC000020418785 171183650 /nfs/dbraw/zinc/18/36/50/171183650.db2.gz LYEZZJJQBRABHF-AWEZNQCLSA-N 1 0 264.413 2.730 50 0 CFAARO CCCn1cc(C[NH2+][C@H]2COc3ccccc3C2)c(C)n1 ZINC000020600808 171266211 /nfs/dbraw/zinc/26/62/11/171266211.db2.gz UOULLXKSOFCXHQ-MRXNPFEDSA-N 1 0 285.391 2.695 50 0 CFAARO CN(Cc1ccccc1C[NH+](C)C)C(=O)c1ccoc1 ZINC000020599947 171266231 /nfs/dbraw/zinc/26/62/31/171266231.db2.gz PGEKKIIVXBZCGO-UHFFFAOYSA-N 1 0 272.348 2.613 50 0 CFAARO O=C(C[C@H]1C=CCC1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000020637233 171268623 /nfs/dbraw/zinc/26/86/23/171268623.db2.gz YWQXUGMZUWLQIH-HOTGVXAUSA-N 1 0 276.424 2.677 50 0 CFAARO CCCOc1ccccc1C[NH2+]CCCCCO ZINC000020924684 171279854 /nfs/dbraw/zinc/27/98/54/171279854.db2.gz XZTZQUYRKFYNJQ-UHFFFAOYSA-N 1 0 251.370 2.728 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+][C@@H](CC)CO ZINC000020928781 171280252 /nfs/dbraw/zinc/28/02/52/171280252.db2.gz XHEJDHARKKYVHK-ZDUSSCGKSA-N 1 0 271.788 2.989 50 0 CFAARO COc1ccc(C[NH2+]CCCCCO)cc1Cl ZINC000020928203 171280680 /nfs/dbraw/zinc/28/06/80/171280680.db2.gz LGQBQQNETSBHIW-UHFFFAOYSA-N 1 0 257.761 2.601 50 0 CFAARO CCCOc1ccc(C[NH2+][C@@H](CC)CO)cc1OCC ZINC000020933238 171280859 /nfs/dbraw/zinc/28/08/59/171280859.db2.gz WZNCSQCCQOLHSP-AWEZNQCLSA-N 1 0 281.396 2.735 50 0 CFAARO CCCOc1ccc2ccccc2c1C[NH2+]CCO ZINC000020930500 171281013 /nfs/dbraw/zinc/28/10/13/171281013.db2.gz UXBSIVTUECRGFN-UHFFFAOYSA-N 1 0 259.349 2.711 50 0 CFAARO CCn1cc(C[NH2+]CCCCCO)c2ccccc21 ZINC000020935344 171281854 /nfs/dbraw/zinc/28/18/54/171281854.db2.gz WLWURFIKXHQTFP-UHFFFAOYSA-N 1 0 260.381 2.913 50 0 CFAARO COc1cccc(C[C@H]2C[N@H+](CCCSC)CCO2)c1 ZINC000020997428 171284022 /nfs/dbraw/zinc/28/40/22/171284022.db2.gz BWLJRYJURHRPLJ-INIZCTEOSA-N 1 0 295.448 2.692 50 0 CFAARO Cc1ccoc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000021938462 171338038 /nfs/dbraw/zinc/33/80/38/171338038.db2.gz DADKPPLYQZMIOK-UHFFFAOYSA-N 1 0 272.348 2.580 50 0 CFAARO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000022075978 171352084 /nfs/dbraw/zinc/35/20/84/171352084.db2.gz MHZFRPZOXWBQAZ-QGZVFWFLSA-N 1 0 271.360 2.909 50 0 CFAARO COC(=O)[C@@H]1CC[NH2+][C@H]1c1ccc(Cl)cc1Cl ZINC000022204710 171372577 /nfs/dbraw/zinc/37/25/77/171372577.db2.gz RFRBPJHBTIEEOF-KOLCDFICSA-N 1 0 274.147 2.817 50 0 CFAARO c1ccc2c(c1)CC[C@H]([NH2+]CCN1CCCCC1)C2 ZINC000022455698 171388033 /nfs/dbraw/zinc/38/80/33/171388033.db2.gz UDUZDPWMLYUVTF-KRWDZBQOSA-N 1 0 258.409 2.619 50 0 CFAARO O=C(Nc1ccncc1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023214867 171415981 /nfs/dbraw/zinc/41/59/81/171415981.db2.gz KQSKSIXQEYFGOH-LLVKDONJSA-N 1 0 273.361 2.820 50 0 CFAARO c1coc(C[NH2+]CCCc2nc3ccccc3[nH]2)c1 ZINC000035287216 172105343 /nfs/dbraw/zinc/10/53/43/172105343.db2.gz PCXYGBIDXLFDFZ-UHFFFAOYSA-N 1 0 255.321 2.878 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COC2CCCCC2)C1 ZINC000035360296 172151788 /nfs/dbraw/zinc/15/17/88/172151788.db2.gz KDIJQKVDTOMHMR-KFWWJZLASA-N 1 0 269.429 2.675 50 0 CFAARO CN(C)[C@@H](C[NH2+]C1Cc2ccccc2C1)c1ccco1 ZINC000035657981 172333235 /nfs/dbraw/zinc/33/32/35/172333235.db2.gz HBQQXQMEOUKCRT-INIZCTEOSA-N 1 0 270.376 2.639 50 0 CFAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)C(C)(C)C(F)F)c1 ZINC000657849261 414001183 /nfs/dbraw/zinc/00/11/83/414001183.db2.gz FDNQRRNNFOXVBV-JTQLQIEISA-N 1 0 284.350 2.816 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)C(C)(C)C(F)F ZINC000657929452 414062052 /nfs/dbraw/zinc/06/20/52/414062052.db2.gz ZAGCOKVRVJHIPZ-WCBMZHEXSA-N 1 0 257.328 2.536 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCCO1)C2 ZINC000661737953 414185284 /nfs/dbraw/zinc/18/52/84/414185284.db2.gz MVLHNOYBJUPEHB-INIZCTEOSA-N 1 0 261.365 2.622 50 0 CFAARO Fc1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000038580883 174148685 /nfs/dbraw/zinc/14/86/85/174148685.db2.gz QNEGHFDEVKQVMR-MRVPVSSYSA-N 1 0 274.133 2.577 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cc(F)ccc2F)C1 ZINC000040107586 174192159 /nfs/dbraw/zinc/19/21/59/174192159.db2.gz LQAYDMMFIIEPIX-VXGBXAGGSA-N 1 0 296.361 2.673 50 0 CFAARO CC[N@H+](CC(=O)NC(C)(C)C)Cc1ccccc1C ZINC000040161822 174196387 /nfs/dbraw/zinc/19/63/87/174196387.db2.gz NTODZIXSFULULU-UHFFFAOYSA-N 1 0 262.397 2.732 50 0 CFAARO COc1ccc([C@H]2[NH2+]CC[C@@]23c2ccccc2NC3=O)cc1 ZINC000040312584 174232007 /nfs/dbraw/zinc/23/20/07/174232007.db2.gz NGFAHQNBKATQCJ-SJLPKXTDSA-N 1 0 294.354 2.620 50 0 CFAARO CC/C=C(/C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040521142 174310168 /nfs/dbraw/zinc/31/01/68/174310168.db2.gz JASAKMKSXQVAGU-GXJZLWQJSA-N 1 0 266.410 2.823 50 0 CFAARO CCOc1cc(C[NH2+]CCCO)cc(Cl)c1OCC ZINC000040721051 174385220 /nfs/dbraw/zinc/38/52/20/174385220.db2.gz RYBXNYVBYJAULD-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OC(C)C ZINC000040728657 174387774 /nfs/dbraw/zinc/38/77/74/174387774.db2.gz CSYLTBUYPNCEFT-UHFFFAOYSA-N 1 0 281.396 2.733 50 0 CFAARO CC(C)Oc1ccc(C[NH2+]CCCCO)cc1Cl ZINC000040744253 174391228 /nfs/dbraw/zinc/39/12/28/174391228.db2.gz KGZROSXPYPLTRJ-UHFFFAOYSA-N 1 0 271.788 2.989 50 0 CFAARO CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)O)cc1OC ZINC000040743871 174391326 /nfs/dbraw/zinc/39/13/26/174391326.db2.gz XSVZAUGQPVCPDP-SNVBAGLBSA-N 1 0 287.787 2.608 50 0 CFAARO CCCOc1c(C[NH2+]C[C@@H](C)O)cc(Cl)cc1OC ZINC000040743887 174391744 /nfs/dbraw/zinc/39/17/44/174391744.db2.gz FDAHLSFNHFVMQB-SNVBAGLBSA-N 1 0 287.787 2.608 50 0 CFAARO CCc1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770217 174870481 /nfs/dbraw/zinc/87/04/81/174870481.db2.gz NZBKFPUQVLEKTP-JTQLQIEISA-N 1 0 284.197 3.000 50 0 CFAARO O=C(OCc1ccccc1)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000042782932 174878774 /nfs/dbraw/zinc/87/87/74/174878774.db2.gz OPOVYJBTQQAMHB-QGZVFWFLSA-N 1 0 297.354 2.784 50 0 CFAARO C[NH2+]CCC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000043605238 175078513 /nfs/dbraw/zinc/07/85/13/175078513.db2.gz ZWMSKUYTBMJQCM-CYBMUJFWSA-N 1 0 266.772 2.613 50 0 CFAARO COc1nc(C)c(C[NH2+]CCc2ccc(OC)cc2)s1 ZINC000045205509 175327664 /nfs/dbraw/zinc/32/76/64/175327664.db2.gz DPMYTYHVKAVEAM-UHFFFAOYSA-N 1 0 292.404 2.801 50 0 CFAARO COc1ncc(C[NH2+]CCc2ccc(F)cc2)s1 ZINC000045205433 175327987 /nfs/dbraw/zinc/32/79/87/175327987.db2.gz NWABQYMFQUATBN-UHFFFAOYSA-N 1 0 266.341 2.623 50 0 CFAARO C[N@H+](CCC(=O)NC1CC1)Cc1ccc(Cl)s1 ZINC000045735715 175382462 /nfs/dbraw/zinc/38/24/62/175382462.db2.gz PTCQGBYFGOIPCV-UHFFFAOYSA-N 1 0 272.801 2.502 50 0 CFAARO CCN1CCC[C@H]1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045946173 175387960 /nfs/dbraw/zinc/38/79/60/175387960.db2.gz KOUONDLZJSAEFK-HNNXBMFYSA-N 1 0 271.408 2.752 50 0 CFAARO CC(C)C[NH+](CC(=O)N(C)Cc1ccco1)CC(C)C ZINC000052856031 175539124 /nfs/dbraw/zinc/53/91/24/175539124.db2.gz PEHGMZFWUPYOLB-UHFFFAOYSA-N 1 0 280.412 2.852 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000053202013 175544032 /nfs/dbraw/zinc/54/40/32/175544032.db2.gz YROKTZCRLFAXHK-NSHDSACASA-N 1 0 274.389 2.725 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)c2csc3ccccc23)C1 ZINC000053202012 175544055 /nfs/dbraw/zinc/54/40/55/175544055.db2.gz YROKTZCRLFAXHK-LLVKDONJSA-N 1 0 274.389 2.725 50 0 CFAARO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 ZINC000058365120 175620891 /nfs/dbraw/zinc/62/08/91/175620891.db2.gz NEQUDIWDUYHBBD-OAHLLOKOSA-N 1 0 288.435 2.812 50 0 CFAARO C[C@]1(CCc2c[nH]c3ccccc23)[NH2+]CCc2nc[nH]c21 ZINC000067921026 175802534 /nfs/dbraw/zinc/80/25/34/175802534.db2.gz DQTNKRMJQKBGEA-QGZVFWFLSA-N 1 0 280.375 2.885 50 0 CFAARO C[C@@H](c1ccccc1F)N(C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070253997 175884605 /nfs/dbraw/zinc/88/46/05/175884605.db2.gz MNANWJIWHLCNEX-GXTWGEPZSA-N 1 0 290.382 2.735 50 0 CFAARO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000071186187 176060199 /nfs/dbraw/zinc/06/01/99/176060199.db2.gz RLQCHZXJQVMBTR-INIZCTEOSA-N 1 0 297.402 2.868 50 0 CFAARO Cc1ccc([C@H]2C[C@H]2C(=O)NCC(C)(C)[NH+](C)C)s1 ZINC000071186374 176060387 /nfs/dbraw/zinc/06/03/87/176060387.db2.gz FEDUINDZNUEXEU-NWDGAFQWSA-N 1 0 280.437 2.616 50 0 CFAARO CCOC(=O)c1nccn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071575365 176202682 /nfs/dbraw/zinc/20/26/82/176202682.db2.gz DDUZWNLTDSSUEG-HNNXBMFYSA-N 1 0 299.374 2.507 50 0 CFAARO CCOC(=O)c1nccn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071575363 176202988 /nfs/dbraw/zinc/20/29/88/176202988.db2.gz DDUZWNLTDSSUEG-OAHLLOKOSA-N 1 0 299.374 2.507 50 0 CFAARO CC[C@H]1C[N@H+](CC2CC2)CCC(=O)N1Cc1ccccc1 ZINC000071681602 176245339 /nfs/dbraw/zinc/24/53/39/176245339.db2.gz PZEGBXZOBNKYSP-KRWDZBQOSA-N 1 0 286.419 2.910 50 0 CFAARO CC1=CC[C@@H]2C[N@H+](Cc3cccc(OCCO)c3)C[C@@H]2C1 ZINC000071752503 176260334 /nfs/dbraw/zinc/26/03/34/176260334.db2.gz GXENYXCJJRWRGR-SJORKVTESA-N 1 0 287.403 2.846 50 0 CFAARO C[C@@H](Cc1ccccc1)NNCCC[NH+]1CCCCC1 ZINC000071771325 176262548 /nfs/dbraw/zinc/26/25/48/176262548.db2.gz DOWCWZDHMGCIOH-INIZCTEOSA-N 1 0 275.440 2.588 50 0 CFAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000071834733 176273511 /nfs/dbraw/zinc/27/35/11/176273511.db2.gz QXLYYRNSFYADHT-HNNXBMFYSA-N 1 0 299.418 2.653 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000071880486 176287879 /nfs/dbraw/zinc/28/78/79/176287879.db2.gz GRVCQGMQKIEZQR-DLBZAZTESA-N 1 0 290.382 2.801 50 0 CFAARO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000071924540 176301443 /nfs/dbraw/zinc/30/14/43/176301443.db2.gz SJNWXVCHVFBTGA-IEOKHJKGSA-N 1 0 261.365 2.866 50 0 CFAARO Fc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000072162941 176330404 /nfs/dbraw/zinc/33/04/04/176330404.db2.gz PFZNQQUPANSXIR-HNNXBMFYSA-N 1 0 266.335 2.540 50 0 CFAARO CC[NH+](CC)CC(=O)N1CCCC[C@@H]1c1nc(C)cs1 ZINC000072273875 176355715 /nfs/dbraw/zinc/35/57/15/176355715.db2.gz PHNDERYAPPLTHI-CYBMUJFWSA-N 1 0 295.452 2.847 50 0 CFAARO Clc1cnccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072300379 176364580 /nfs/dbraw/zinc/36/45/80/176364580.db2.gz NMJBRDCZFGEHDJ-LBPRGKRZSA-N 1 0 276.771 2.838 50 0 CFAARO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000072304812 176365847 /nfs/dbraw/zinc/36/58/47/176365847.db2.gz SKNUOZRFSRYRBX-CQSZACIVSA-N 1 0 275.396 2.801 50 0 CFAARO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCC[NH2+]3)c2)n1 ZINC000072376689 176385088 /nfs/dbraw/zinc/38/50/88/176385088.db2.gz YOHMWZMDAIAJRB-CQSZACIVSA-N 1 0 283.379 2.965 50 0 CFAARO Cc1cnc(Nc2cc([C@H]3CCC[NH2+]3)nc(C)n2)s1 ZINC000072382164 176388178 /nfs/dbraw/zinc/38/81/78/176388178.db2.gz JORSDKNCDRUTIR-SNVBAGLBSA-N 1 0 275.381 2.718 50 0 CFAARO c1cc(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)cs1 ZINC000077319725 177251553 /nfs/dbraw/zinc/25/15/53/177251553.db2.gz OFRSLNMWKUAHLF-MRXNPFEDSA-N 1 0 294.464 2.825 50 0 CFAARO Cc1cc(C)nc(C[N@@H+]2CCCC[C@H]2CCn2cccn2)n1 ZINC000077379163 177260792 /nfs/dbraw/zinc/26/07/92/177260792.db2.gz USZQNFVNZKARBH-INIZCTEOSA-N 1 0 299.422 2.735 50 0 CFAARO Fc1ccc(C[NH2+][C@@H](Cn2cncn2)c2ccccc2)cc1 ZINC000077404782 177263503 /nfs/dbraw/zinc/26/35/03/177263503.db2.gz MANLIBXLGZRJQL-KRWDZBQOSA-N 1 0 296.349 2.948 50 0 CFAARO O=C(CCCc1ccc(Cl)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000077520287 177277674 /nfs/dbraw/zinc/27/76/74/177277674.db2.gz UBFDZJVYGILEES-AWEZNQCLSA-N 1 0 294.826 2.779 50 0 CFAARO CCNc1ncc(C[N@@H+]2CCCC[C@@H]2CCCOC)cn1 ZINC000077554012 177280521 /nfs/dbraw/zinc/28/05/21/177280521.db2.gz URZHSTYFUQIUQD-OAHLLOKOSA-N 1 0 292.427 2.690 50 0 CFAARO CCN(Cc1ccoc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000078519070 177349498 /nfs/dbraw/zinc/34/94/98/177349498.db2.gz KCKIXHUDXGUXIJ-UHFFFAOYSA-N 1 0 293.411 2.686 50 0 CFAARO c1csc([C@H]2CN(CCOc3ccccc3)CCO2)n1 ZINC000195521246 270254011 /nfs/dbraw/zinc/25/40/11/270254011.db2.gz WFALSLKNDYKXJO-CQSZACIVSA-N 1 0 290.388 2.595 50 0 CFAARO CC(C)Oc1ccc(Cl)cc1C[NH2+]C(C)(C)CO ZINC000040730293 260178593 /nfs/dbraw/zinc/17/85/93/260178593.db2.gz DMZDJMMTAHLYQB-UHFFFAOYSA-N 1 0 271.788 2.988 50 0 CFAARO CN(C)c1ncc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)s1 ZINC000278378985 263047797 /nfs/dbraw/zinc/04/77/97/263047797.db2.gz LKKUMLJCOTYYTK-VIFPVBQESA-N 1 0 293.358 2.983 50 0 CFAARO CN(C)c1ncc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)s1 ZINC000278378981 263047867 /nfs/dbraw/zinc/04/78/67/263047867.db2.gz LKKUMLJCOTYYTK-SECBINFHSA-N 1 0 293.358 2.983 50 0 CFAARO C[NH+](C)[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@@H]1C1CC1 ZINC000092065551 273819794 /nfs/dbraw/zinc/81/97/94/273819794.db2.gz JGIIPBDXMDQXIU-OLZOCXBDSA-N 1 0 299.340 2.877 50 0 CFAARO COC[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000012383423 274048471 /nfs/dbraw/zinc/04/84/71/274048471.db2.gz LPVYQFOPBZVATJ-OLZOCXBDSA-N 1 0 251.370 2.641 50 0 CFAARO COc1cc(-c2ccc(Cl)cn2)cc2c1OCC[NH2+]C2 ZINC000299789480 274090433 /nfs/dbraw/zinc/09/04/33/274090433.db2.gz YBRVTYBIYIIOOF-UHFFFAOYSA-N 1 0 290.750 2.893 50 0 CFAARO Cc1c(C[NH+]2CCC(c3ccc(O)cc3)CC2)cnn1C ZINC000089544737 274660959 /nfs/dbraw/zinc/66/09/59/274660959.db2.gz WOBGTHFGBONKSG-UHFFFAOYSA-N 1 0 285.391 2.814 50 0 CFAARO Cc1ccc(Cl)c(NC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000097347038 274744215 /nfs/dbraw/zinc/74/42/15/274744215.db2.gz KQIHAIPSKCMUEG-NSHDSACASA-N 1 0 281.787 2.994 50 0 CFAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCO ZINC000001795533 274764097 /nfs/dbraw/zinc/76/40/97/274764097.db2.gz BDMJVEISXIFETC-HNNXBMFYSA-N 1 0 258.365 2.826 50 0 CFAARO FC(F)(F)Oc1ccc2[nH]c3c(c2c1)C[NH2+]CC3 ZINC000019941735 274906014 /nfs/dbraw/zinc/90/60/14/274906014.db2.gz YMIMDJBSJBNETN-UHFFFAOYSA-N 1 0 256.227 2.712 50 0 CFAARO Ic1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000003732247 274916158 /nfs/dbraw/zinc/91/61/58/274916158.db2.gz RJUPNYAFIYEVMY-JTQLQIEISA-N 1 0 273.117 2.716 50 0 CFAARO O[C@@H]1C[N@@H+](C2Cc3ccccc3C2)Cc2ccccc21 ZINC000082156724 275054454 /nfs/dbraw/zinc/05/44/54/275054454.db2.gz KPJCXKOACXOLSD-GOSISDBHSA-N 1 0 265.356 2.703 50 0 CFAARO O[C@H]1C[N@@H+](C2Cc3ccccc3C2)Cc2ccccc21 ZINC000082156726 275059093 /nfs/dbraw/zinc/05/90/93/275059093.db2.gz KPJCXKOACXOLSD-SFHVURJKSA-N 1 0 265.356 2.703 50 0 CFAARO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000048685572 275070289 /nfs/dbraw/zinc/07/02/89/275070289.db2.gz YZUDXXKOERLWOS-QGZVFWFLSA-N 1 0 294.402 2.854 50 0 CFAARO Brc1ccc([C@@H]2[NH2+]CCn3cccc32)cc1 ZINC000026423303 275370038 /nfs/dbraw/zinc/37/00/38/275370038.db2.gz FGWVVKIUKMWARH-ZDUSSCGKSA-N 1 0 277.165 2.943 50 0 CFAARO CC(C)(C)CC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473149 275811967 /nfs/dbraw/zinc/81/19/67/275811967.db2.gz SKKRAUQYTBGRHX-CQSZACIVSA-N 1 0 298.496 2.853 50 0 CFAARO CCCC(=O)N1CCC([NH2+][C@@H](C)c2ncccc2C)CC1 ZINC000071278829 275967100 /nfs/dbraw/zinc/96/71/00/275967100.db2.gz UTFODNBWCUTBLX-AWEZNQCLSA-N 1 0 289.423 2.832 50 0 CFAARO CCOC(=O)[C@@H]1C[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]12 ZINC000014987501 276289374 /nfs/dbraw/zinc/28/93/74/276289374.db2.gz XJCLMIPLNVXPDG-QLFBSQMISA-N 1 0 259.349 2.775 50 0 biogenic,in-vitro CFAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccs1 ZINC000070271035 276788220 /nfs/dbraw/zinc/78/82/20/276788220.db2.gz ZMAINVWCUFQZEU-UHFFFAOYSA-N 1 0 288.416 2.952 50 0 CFAARO C[NH+](C)C[C@H]1CCc2ccc(Br)cc2C1=O ZINC000034120135 276803916 /nfs/dbraw/zinc/80/39/16/276803916.db2.gz KUMUPICCPMUFIN-SNVBAGLBSA-N 1 0 282.181 2.756 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)NC1CCCCC1)c1cccs1 ZINC000023105520 276821720 /nfs/dbraw/zinc/82/17/20/276821720.db2.gz GODNZZBPBRJKDL-ZDUSSCGKSA-N 1 0 295.452 2.983 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1 ZINC000244716056 277042740 /nfs/dbraw/zinc/04/27/40/277042740.db2.gz LHPHVSXULJAEBM-JKSUJKDBSA-N 1 0 272.392 2.834 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC000072194297 277185280 /nfs/dbraw/zinc/18/52/80/277185280.db2.gz UIUSKKZCVNFIMH-AWEZNQCLSA-N 1 0 254.374 2.530 50 0 CFAARO CN1C[C@H]([NH2+][C@H]2CCCCc3ccccc32)CCC1=O ZINC000084061467 277205036 /nfs/dbraw/zinc/20/50/36/277205036.db2.gz OMUNTCQHQWMMHX-ZBFHGGJFSA-N 1 0 272.392 2.665 50 0 CFAARO C[NH2+][C@@H](C(=O)c1ccccc1)[C@@H](OC)c1ccccc1 ZINC000059866370 277292008 /nfs/dbraw/zinc/29/20/08/277292008.db2.gz UZMATHAVBHQGGQ-RDJZCZTQSA-N 1 0 269.344 2.845 50 0 CFAARO CC(C)(C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C)C(N)=O ZINC000123683948 277303595 /nfs/dbraw/zinc/30/35/95/277303595.db2.gz GUZJPRLXYBUSRJ-KGLIPLIRSA-N 1 0 274.408 2.670 50 0 CFAARO CO[C@H](C[NH2+][C@H]1CCCSC1)c1ccc(F)cc1 ZINC000097084619 277332481 /nfs/dbraw/zinc/33/24/81/277332481.db2.gz YPFBXAAXELWZEN-UONOGXRCSA-N 1 0 269.385 2.998 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000071925553 277383972 /nfs/dbraw/zinc/38/39/72/277383972.db2.gz MTJQXMNDVNIPSH-CQSZACIVSA-N 1 0 281.444 2.548 50 0 CFAARO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCS1 ZINC000095969266 277558933 /nfs/dbraw/zinc/55/89/33/277558933.db2.gz OZEWHCNUHFNCQV-ZFWWWQNUSA-N 1 0 292.448 2.913 50 0 CFAARO C[C@H]([NH2+][C@@H](Cn1cncn1)c1ccccc1)C1CCC1 ZINC000095421760 278269069 /nfs/dbraw/zinc/26/90/69/278269069.db2.gz GDHIIVVULNEBAX-BBRMVZONSA-N 1 0 270.380 2.798 50 0 CFAARO CC(C)(C)N1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070294138 278340566 /nfs/dbraw/zinc/34/05/66/278340566.db2.gz DXTIKWSWIMBCNY-AAEUAGOBSA-N 1 0 284.762 2.878 50 0 CFAARO C[C@@H](c1cccnc1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000098013269 278423622 /nfs/dbraw/zinc/42/36/22/278423622.db2.gz HXMIBHARFMMMIV-DOTOQJQBSA-N 1 0 271.408 2.869 50 0 CFAARO C[C@@H]1CCc2sc(C(=O)NC3CC[NH+](C)CC3)cc2C1 ZINC000016605813 278626942 /nfs/dbraw/zinc/62/69/42/278626942.db2.gz ZKVIGGPZVKIWDJ-LLVKDONJSA-N 1 0 292.448 2.697 50 0 CFAARO C[C@@H]1OCC[C@H]1[NH2+]CC1(c2c(F)cccc2F)CC1 ZINC000090965278 279052547 /nfs/dbraw/zinc/05/25/47/279052547.db2.gz KMOYKGSKOPKFNX-GXFFZTMASA-N 1 0 267.319 2.763 50 0 CFAARO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000124077931 279375050 /nfs/dbraw/zinc/37/50/50/279375050.db2.gz WLNBUIOEOHPPRK-HHEAZKOWSA-N 1 0 279.449 2.925 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000252585299 280047351 /nfs/dbraw/zinc/04/73/51/280047351.db2.gz HQLMPJHSIUFVEX-HZSPNIEDSA-N 1 0 284.469 2.650 50 0 CFAARO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)oc2c1c(C)ccc2C ZINC000132676591 280210101 /nfs/dbraw/zinc/21/01/01/280210101.db2.gz TUPYYKZSVNVURU-LBPRGKRZSA-N 1 0 272.348 2.531 50 0 CFAARO O=S1(=O)CCC(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000090882289 280342968 /nfs/dbraw/zinc/34/29/68/280342968.db2.gz DADFAWXYEWKURD-ZDUSSCGKSA-N 1 0 299.461 2.540 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)s1 ZINC000049395458 280438098 /nfs/dbraw/zinc/43/80/98/280438098.db2.gz ADHYQOMUNFZQJX-CYBMUJFWSA-N 1 0 274.389 2.912 50 0 CFAARO C[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)[C@@H](C[NH3+])C1 ZINC000261881588 281112284 /nfs/dbraw/zinc/11/22/84/281112284.db2.gz UDFGOGQDJQZDQP-DZGCQCFKSA-N 1 0 297.402 2.881 50 0 CFAARO CN(C)C(=O)CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129522418 281907887 /nfs/dbraw/zinc/90/78/87/281907887.db2.gz MYUOTNGVBGKZPO-QWRGUYRKSA-N 1 0 280.334 2.566 50 0 CFAARO CCSCC[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000561987290 282064427 /nfs/dbraw/zinc/06/44/27/282064427.db2.gz HKVVZZOVESWLMT-UHFFFAOYSA-N 1 0 265.426 2.525 50 0 CFAARO CCc1cccc(C)c1-n1nnnc1C1([NH2+]C)CCCC1 ZINC000035622586 288577634 /nfs/dbraw/zinc/57/76/34/288577634.db2.gz HNSIYIJPCFMDQO-UHFFFAOYSA-N 1 0 285.395 2.522 50 0 CFAARO C[C@H](Nc1cnn(CC[NH+](C)C)c1)c1ccc(F)cc1F ZINC000097037680 290064628 /nfs/dbraw/zinc/06/46/28/290064628.db2.gz ZIIXHVBGVFNTPB-NSHDSACASA-N 1 0 294.349 2.896 50 0 CFAARO C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH2+]CC1 ZINC000019735592 290225269 /nfs/dbraw/zinc/22/52/69/290225269.db2.gz SHVKMZCCXHVNMC-SECBINFHSA-N 1 0 259.180 2.960 50 0 CFAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2c[nH]nc2C(C)(C)C)c1 ZINC000069454093 293006358 /nfs/dbraw/zinc/00/63/58/293006358.db2.gz ZUNKISPTOVBZNX-QWHCGFSZSA-N 1 0 289.427 2.951 50 0 CFAARO C[C@H]1CN(C(=O)C(C)(C)c2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000078894863 300106059 /nfs/dbraw/zinc/10/60/59/300106059.db2.gz FHJRINOTVHZLKE-SWLSCSKDSA-N 1 0 292.398 2.512 50 0 CFAARO C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2ccsc2S1 ZINC000095422837 300437672 /nfs/dbraw/zinc/43/76/72/300437672.db2.gz OJRXNHUYCJQIAE-JBLDHEPKSA-N 1 0 296.461 2.884 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000299742288 302158967 /nfs/dbraw/zinc/15/89/67/302158967.db2.gz AYXQTVPRYRVEGB-QSPRXWTASA-N 1 0 286.419 2.827 50 0 CFAARO CC[C@H](C)[C@@H](C)[NH2+]CCC1CCN(C(C)=O)CC1 ZINC000096479233 529206499 /nfs/dbraw/zinc/20/64/99/529206499.db2.gz MJEHUZBEUSBKCA-QWHCGFSZSA-N 1 0 254.418 2.659 50 0 CFAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)C[C@H]1CCCOC1 ZINC000534581085 328311464 /nfs/dbraw/zinc/31/14/64/328311464.db2.gz XSVUVIGSFSWRRH-OAHLLOKOSA-N 1 0 296.455 2.574 50 0 CFAARO C(C[NH2+]C1CSCCSC1)COC1CCCC1 ZINC000534583226 328312543 /nfs/dbraw/zinc/31/25/43/328312543.db2.gz FZOFZCYQERFDMC-UHFFFAOYSA-N 1 0 275.483 2.774 50 0 CFAARO CNc1nc(NC2(Cc3ccccc3C)CC2)cc(C)[nH+]1 ZINC000534586659 328315539 /nfs/dbraw/zinc/31/55/39/328315539.db2.gz FVLNIRMCAHNPMJ-UHFFFAOYSA-N 1 0 282.391 2.744 50 0 CFAARO Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000534645947 328331640 /nfs/dbraw/zinc/33/16/40/328331640.db2.gz QTTGVNZQUVIMSU-NSHDSACASA-N 1 0 287.329 2.974 50 0 CFAARO CCn1c(CC[NH2+][C@H]2CCSC2)nc2ccccc21 ZINC000534636255 328333712 /nfs/dbraw/zinc/33/37/12/328333712.db2.gz NAMGLEZGDJDPPZ-LBPRGKRZSA-N 1 0 275.421 2.694 50 0 CFAARO C[C@H](CO)[NH2+]CC1(c2cccc(F)c2)CCCC1 ZINC000534632424 328331976 /nfs/dbraw/zinc/33/19/76/328331976.db2.gz XGANMPWLQBJUAS-GFCCVEGCSA-N 1 0 251.345 2.608 50 0 CFAARO Clc1ccc(C2(C[NH2+][C@H]3CCOC3)CC2)cc1 ZINC000534633022 328332329 /nfs/dbraw/zinc/33/23/29/328332329.db2.gz GCFIIRVASZOBSL-ZDUSSCGKSA-N 1 0 251.757 2.750 50 0 CFAARO c1ccc2nc(N3CCCC4(CC[NH2+]CC4)CC3)cnc2c1 ZINC000534651161 328337480 /nfs/dbraw/zinc/33/74/80/328337480.db2.gz XUMZBOQAKUKQEE-UHFFFAOYSA-N 1 0 296.418 2.990 50 0 CFAARO Cc1ncccc1C(=O)N[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000534666297 328345468 /nfs/dbraw/zinc/34/54/68/328345468.db2.gz CWSGPWFTJFNYBT-KRWDZBQOSA-N 1 0 297.402 2.813 50 0 CFAARO CNC(=O)CC[NH2+]Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000195571571 324109767 /nfs/dbraw/zinc/10/97/67/324109767.db2.gz UPRJKRBBKYICQT-UHFFFAOYSA-N 1 0 294.704 2.585 50 0 CFAARO CCc1nc(CC[NH2+][C@@H]2CCCSC2)cs1 ZINC000128255279 328449181 /nfs/dbraw/zinc/44/91/81/328449181.db2.gz XYOOHJVSJYQIPA-SNVBAGLBSA-N 1 0 256.440 2.733 50 0 CFAARO C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC000060131685 327018461 /nfs/dbraw/zinc/01/84/61/327018461.db2.gz IKGREBAJZFBXNC-ZDUSSCGKSA-N 1 0 277.364 2.916 50 0 CFAARO Cc1nn(CCO)c(C)c1C[NH2+]C1(C)CCC(C)CC1 ZINC000069619334 327100301 /nfs/dbraw/zinc/10/03/01/327100301.db2.gz NVBZZKCLAQOYTA-UHFFFAOYSA-N 1 0 279.428 2.551 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)s1 ZINC000096477632 329526972 /nfs/dbraw/zinc/52/69/72/329526972.db2.gz KSICDGBVDWBUAM-ZDUSSCGKSA-N 1 0 282.453 2.818 50 0 CFAARO Brc1cc2c(cc1Br)C[NH2+]CC2 ZINC000521398298 333118071 /nfs/dbraw/zinc/11/80/71/333118071.db2.gz XQDWQUYJNXAGSD-UHFFFAOYSA-N 1 0 290.986 2.857 50 0 CFAARO CCOc1cc(CNCCC[NH+](CC)CC)ccc1OC ZINC000002933139 500709307 /nfs/dbraw/zinc/70/93/07/500709307.db2.gz RRSWKRNZANSIDC-UHFFFAOYSA-N 1 0 294.439 2.915 50 0 CFAARO Cc1ccc(C[NH2+]C[C@@H]2CCCN2c2cccnn2)s1 ZINC000075132756 500972202 /nfs/dbraw/zinc/97/22/02/500972202.db2.gz MQQAXUKGEKWVBX-ZDUSSCGKSA-N 1 0 288.420 2.605 50 0 CFAARO COc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000007786545 534074623 /nfs/dbraw/zinc/07/46/23/534074623.db2.gz CUZNXICKANZSIZ-UHFFFAOYSA-N 1 0 276.380 2.898 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000096478095 534156977 /nfs/dbraw/zinc/15/69/77/534156977.db2.gz BJTPNQCWZRTZIG-BNOWGMLFSA-N 1 0 253.411 2.820 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H]2c2ccccc2)n1 ZINC000096447532 534198198 /nfs/dbraw/zinc/19/81/98/534198198.db2.gz LGTBDOURKJSQFQ-YOEHRIQHSA-N 1 0 284.359 2.715 50 0 CFAARO CC(C)Cc1nc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cs1 ZINC000156859837 519455455 /nfs/dbraw/zinc/45/54/55/519455455.db2.gz PUEHJQFWQZRUMQ-YPMHNXCESA-N 1 0 295.452 2.541 50 0 CFAARO Cc1ccsc1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000097657064 534470419 /nfs/dbraw/zinc/47/04/19/534470419.db2.gz XMPWUINSXWWHMZ-GFCCVEGCSA-N 1 0 261.394 2.910 50 0 CFAARO CCOc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C ZINC000156295993 520658985 /nfs/dbraw/zinc/65/89/85/520658985.db2.gz JQPHWTCZMUVGNE-UKRRQHHQSA-N 1 0 290.407 2.593 50 0 CFAARO CC1CC[NH+](CCCCNC(=O)c2ccco2)CC1 ZINC000047016129 521002953 /nfs/dbraw/zinc/00/29/53/521002953.db2.gz QXBPUUHVDPPPMB-UHFFFAOYSA-N 1 0 264.369 2.522 50 0 CFAARO CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000004991305 521370656 /nfs/dbraw/zinc/37/06/56/521370656.db2.gz NLFDCJIOQNLUBO-KRWDZBQOSA-N 1 0 285.387 2.948 50 0 CFAARO Cc1cc(CN(C)Cc2cc(C[NH+](C)C)cs2)on1 ZINC000214984480 524660682 /nfs/dbraw/zinc/66/06/82/524660682.db2.gz AFCXEGMHHQUCBX-UHFFFAOYSA-N 1 0 279.409 2.738 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]CC2CCOCC2)c(OC)c1 ZINC000052176098 525145784 /nfs/dbraw/zinc/14/57/84/525145784.db2.gz LINFVPYHEIIWKY-GFCCVEGCSA-N 1 0 279.380 2.781 50 0 CFAARO C[C@@H]([NH2+]Cc1cccn1C)c1ccc2c(c1)OCO2 ZINC000050595371 525540135 /nfs/dbraw/zinc/54/01/35/525540135.db2.gz GHXHIFZYTUVMRG-LLVKDONJSA-N 1 0 258.321 2.605 50 0 CFAARO Cc1ccsc1[C@@H](C)[NH2+]CCOC[C@H]1CCCO1 ZINC000096477735 525868026 /nfs/dbraw/zinc/86/80/26/525868026.db2.gz PDCDRQRCVNTOGN-CHWSQXEVSA-N 1 0 269.410 2.903 50 0 CFAARO O=C(CC1CC[NH2+]CC1)NCC1CCCCCCC1 ZINC000238134933 526367464 /nfs/dbraw/zinc/36/74/64/526367464.db2.gz OCMGDBYFQWMTNS-UHFFFAOYSA-N 1 0 266.429 2.853 50 0 CFAARO CC(C)([NH2+]CC(=O)Nc1cccnc1)c1cccc(F)c1 ZINC000096491914 527290085 /nfs/dbraw/zinc/29/00/85/527290085.db2.gz WASBQFDCONFSIG-UHFFFAOYSA-N 1 0 287.338 2.684 50 0 CFAARO CC[NH+](CC)Cc1ccc(C(=O)OCCCOC)cc1 ZINC000225768880 528189259 /nfs/dbraw/zinc/18/92/59/528189259.db2.gz RDRYEKILUXICSJ-UHFFFAOYSA-N 1 0 279.380 2.722 50 0 CFAARO CC1(C)CC(NC(=O)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000024758501 528887822 /nfs/dbraw/zinc/88/78/22/528887822.db2.gz MFWPYWIGYGVSCF-UHFFFAOYSA-N 1 0 292.398 2.794 50 0 CFAARO CC(C)[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(Cl)cc1F ZINC000096500934 529126120 /nfs/dbraw/zinc/12/61/20/529126120.db2.gz UXJPUTHOFIXKPC-PELKAZGASA-N 1 0 272.751 2.640 50 0 CFAARO CC(C)NC(=O)C[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC000096483943 529133756 /nfs/dbraw/zinc/13/37/56/529133756.db2.gz DFBPQFJJJOCPBL-JTQLQIEISA-N 1 0 286.778 2.872 50 0 CFAARO CCS[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC000096451435 529212845 /nfs/dbraw/zinc/21/28/45/529212845.db2.gz RZVCHSSRZLYOAZ-CHWSQXEVSA-N 1 0 272.458 2.507 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000241965699 535565215 /nfs/dbraw/zinc/56/52/15/535565215.db2.gz UVAUSNQMFWZRRF-OWCLPIDISA-N 1 0 290.382 2.530 50 0 CFAARO CC1CCC([C@@H]([NH3+])C2(O)CC(CF)(CF)C2)CC1 ZINC000958527772 614424886 /nfs/dbraw/zinc/42/48/86/614424886.db2.gz HXINBVUEPMXMAQ-HTAVTVPLSA-N 1 0 261.356 2.590 50 0 CFAARO CCCN1CCC[C@H]([NH2+]Cc2ccc(CC)cn2)C1 ZINC000952978793 614676326 /nfs/dbraw/zinc/67/63/26/614676326.db2.gz FKUMBQZLWPYPQQ-INIZCTEOSA-N 1 0 261.413 2.608 50 0 CFAARO CC[C@@H](C(=O)NCCC1CCCCC1)[N@H+](C)CC ZINC000952979964 615380511 /nfs/dbraw/zinc/38/05/11/615380511.db2.gz QBGYJTXWHGWVIH-AWEZNQCLSA-N 1 0 254.418 2.803 50 0 CFAARO C[NH2+]CC(=O)Nc1cc(Cl)ccc1N1CCC[C@H](C)C1 ZINC000952967500 616937474 /nfs/dbraw/zinc/93/74/74/616937474.db2.gz HZXALJNLWMZOJU-NSHDSACASA-N 1 0 295.814 2.734 50 0 CFAARO C[C@@H]1C[N@H+](CC2CCCC2)CC[C@@]1(O)C1CCOCC1 ZINC000091859825 617808800 /nfs/dbraw/zinc/80/88/00/617808800.db2.gz IVNOQHUFTQFYHJ-PBHICJAKSA-N 1 0 281.440 2.676 50 0 CFAARO Cc1cccc(C)c1OCCCCCC[NH2+]CCO ZINC000002898384 618083625 /nfs/dbraw/zinc/08/36/25/618083625.db2.gz STUNSAAVAJCODB-UHFFFAOYSA-N 1 0 265.397 2.825 50 0 CFAARO C[C@H](c1ccccc1F)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000051877695 618097582 /nfs/dbraw/zinc/09/75/82/618097582.db2.gz OXYPEZHNGMEQBY-GFCCVEGCSA-N 1 0 290.382 2.877 50 0 CFAARO CC(=O)N1CC[NH+](C2CCC(C(C)(C)C)CC2)CC1 ZINC000023282585 618366903 /nfs/dbraw/zinc/36/69/03/618366903.db2.gz ASDFPSDHGHRFIM-UHFFFAOYSA-N 1 0 266.429 2.755 50 0 CFAARO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000023375342 618455244 /nfs/dbraw/zinc/45/52/44/618455244.db2.gz JOBDNUMQKUHHRO-GOSISDBHSA-N 1 0 288.435 2.762 50 0 CFAARO CC(C)(c1ccccc1)c1ccc(OCCNCC[NH3+])cc1 ZINC000020118551 618799994 /nfs/dbraw/zinc/79/99/94/618799994.db2.gz CGEIVLAZACIRNA-UHFFFAOYSA-N 1 0 298.430 2.940 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 ZINC000178574514 619180616 /nfs/dbraw/zinc/18/06/16/619180616.db2.gz MTOKPAQRZUODEP-ZYOFXKKJSA-N 1 0 298.308 2.526 50 0 CFAARO O=C(Nc1cccc(CC(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000160802455 620184343 /nfs/dbraw/zinc/18/43/43/620184343.db2.gz JRMQTOPOSHPTPO-LBPRGKRZSA-N 1 0 286.297 2.872 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000863983387 637833223 /nfs/dbraw/zinc/83/32/23/637833223.db2.gz GMVSSGJBFJNCEH-QWHCGFSZSA-N 1 0 268.426 2.872 50 0 CFAARO Fc1cccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000194000565 650712600 /nfs/dbraw/zinc/71/26/00/650712600.db2.gz ZRWAGZXRTFPXTB-ZDUSSCGKSA-N 1 0 289.354 2.807 50 0 CFAARO FC1(F)CC[NH+](CCCSc2ncco2)CC1 ZINC000952992606 650792735 /nfs/dbraw/zinc/79/27/35/650792735.db2.gz PXNABAOPTPNAOU-UHFFFAOYSA-N 1 0 262.325 2.888 50 0 CFAARO CCC/C=C/CC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000089948062 650859669 /nfs/dbraw/zinc/85/96/69/650859669.db2.gz KXBCBZXVCRUUCA-VOTSOKGWSA-N 1 0 252.402 2.533 50 0 CFAARO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cc[nH]c1)c1ccccc1 ZINC000092784353 650924800 /nfs/dbraw/zinc/92/48/00/650924800.db2.gz LJPKBZHJNIFWDF-KRWDZBQOSA-N 1 0 297.402 2.799 50 0 CFAARO Fc1cnccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000096163549 650985438 /nfs/dbraw/zinc/98/54/38/650985438.db2.gz UQGDXHHTWZCMOZ-UHFFFAOYSA-N 1 0 277.387 2.923 50 0 CFAARO O=C(/C=C/c1ccccc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939363 647818607 /nfs/dbraw/zinc/81/86/07/647818607.db2.gz XRAFKTQORDPCLU-ZHACJKMWSA-N 1 0 284.403 2.787 50 0 CFAARO O=C(NC1CCCCC1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939067 647818644 /nfs/dbraw/zinc/81/86/44/647818644.db2.gz GQLNCLAMCZCJIQ-UHFFFAOYSA-N 1 0 279.428 2.589 50 0 CFAARO C[C@@H](CCc1c[nH]c2ccccc12)[N@H+]1CCC(=O)N(C)CC1 ZINC000015003078 651184619 /nfs/dbraw/zinc/18/46/19/651184619.db2.gz ZYEJALDSCQPJDU-AWEZNQCLSA-N 1 0 299.418 2.653 50 0 CFAARO O=C1CC[N@@H+](CC2CC2)CCN1Cc1cccc(Cl)c1 ZINC000014999612 651184690 /nfs/dbraw/zinc/18/46/90/651184690.db2.gz YMSXCMOPQCVKGC-UHFFFAOYSA-N 1 0 292.810 2.784 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2(C)CC2)c(C)c1 ZINC000032577536 779065192 /nfs/dbraw/zinc/06/51/92/779065192.db2.gz DJEBNHZETASRGO-CABCVRRESA-N 1 0 277.408 2.821 50 0 CFAARO c1coc(-c2n[nH]c([C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)c1 ZINC000820414710 781867249 /nfs/dbraw/zinc/86/72/49/781867249.db2.gz GLWZHRHFJOGSCU-VXGBXAGGSA-N 1 0 272.352 2.797 50 0 CFAARO CCn1cc(C[N@H+](C)CCc2ccc3c(c2)CCO3)cn1 ZINC000096441434 230372866 /nfs/dbraw/zinc/37/28/66/230372866.db2.gz WSKSSWNSFMOENF-UHFFFAOYSA-N 1 0 285.391 2.512 50 0 CFAARO C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCCOC2)cc1 ZINC000096449481 230375436 /nfs/dbraw/zinc/37/54/36/230375436.db2.gz SDJVJXHBBIQLQK-HNNXBMFYSA-N 1 0 290.407 2.894 50 0 CFAARO O[C@H](C[NH2+][C@H]1CSCc2ccccc21)c1ccco1 ZINC000097016502 230386375 /nfs/dbraw/zinc/38/63/75/230386375.db2.gz GYACGJVDCDVJQY-UONOGXRCSA-N 1 0 275.373 2.891 50 0 CFAARO CCC(=O)N1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095518662 185002356 /nfs/dbraw/zinc/00/23/56/185002356.db2.gz YURBUZQBYOZMSV-INIZCTEOSA-N 1 0 286.419 2.877 50 0 CFAARO COc1cccc2c1OC[C@H](Cc1ccc(C)[nH+]c1N)C2 ZINC000095530016 185004720 /nfs/dbraw/zinc/00/47/20/185004720.db2.gz NEZHDUJLPMBVNG-LBPRGKRZSA-N 1 0 284.359 2.775 50 0 CFAARO CCOC(=O)/C=C1\CCC[N@H+](Cc2ccccc2)C1 ZINC000095828957 185028919 /nfs/dbraw/zinc/02/89/19/185028919.db2.gz BKZNISJDCQIXKP-RVDMUPIBSA-N 1 0 259.349 2.772 50 0 CFAARO c1ccc(N(C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000095918163 185030471 /nfs/dbraw/zinc/03/04/71/185030471.db2.gz GFOOQWJOXNYXEP-QGZVFWFLSA-N 1 0 268.360 2.813 50 0 CFAARO Cc1cc(OCC(=O)N(C(C)C)C(C)C)cc(C)[nH+]1 ZINC000095964607 185045515 /nfs/dbraw/zinc/04/55/15/185045515.db2.gz ARJWCRQDEWJAKJ-UHFFFAOYSA-N 1 0 264.369 2.723 50 0 CFAARO Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C[NH2+]CC3)o1 ZINC000095971611 185048377 /nfs/dbraw/zinc/04/83/77/185048377.db2.gz GWHNJLDFBCFWHP-VOTSOKGWSA-N 1 0 282.343 2.886 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(CO)c1)CC2 ZINC000095973567 185049253 /nfs/dbraw/zinc/04/92/53/185049253.db2.gz AKWMETGMAOQMEU-GOSISDBHSA-N 1 0 297.398 2.835 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCSc1ccc(S(C)(=O)=O)cc1 ZINC000095975929 185051180 /nfs/dbraw/zinc/05/11/80/185051180.db2.gz GKAUAAVTEVPBJL-GFCCVEGCSA-N 1 0 299.461 2.667 50 0 CFAARO CC1CCC(O)(C[NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000095984416 185055521 /nfs/dbraw/zinc/05/55/21/185055521.db2.gz ZZURROXFMMKMOO-ARWYELJZSA-N 1 0 277.408 2.641 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+]Cc2csc(N(C)C)n2)C12CCC2 ZINC000095987969 185056999 /nfs/dbraw/zinc/05/69/99/185056999.db2.gz FVVQERVYGKRJJO-STQMWFEESA-N 1 0 295.452 2.646 50 0 CFAARO CC(C)(C)c1cnc(COC(=O)c2ccn3c[nH+]cc3c2)o1 ZINC000095987691 185057033 /nfs/dbraw/zinc/05/70/33/185057033.db2.gz HNZFYMKZLOAPOF-UHFFFAOYSA-N 1 0 299.330 2.977 50 0 CFAARO c1csc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000096011621 185065629 /nfs/dbraw/zinc/06/56/29/185065629.db2.gz NFJSAYSDBFWNRY-ZDUSSCGKSA-N 1 0 281.421 2.766 50 0 CFAARO COc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c2ccccc2n1 ZINC000124828432 187156131 /nfs/dbraw/zinc/15/61/31/187156131.db2.gz CKOOAPUVYVKUTI-STQMWFEESA-N 1 0 286.375 2.758 50 0 CFAARO Clc1ccccc1O[C@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000125176919 187173400 /nfs/dbraw/zinc/17/34/00/187173400.db2.gz SAKKTNHKPSOQMK-LBPRGKRZSA-N 1 0 297.782 2.556 50 0 CFAARO COc1ncc(-c2cccc([C@H](C)[NH+](C)C)c2)c(OC)n1 ZINC000096140251 185105417 /nfs/dbraw/zinc/10/54/17/185105417.db2.gz HHHYDBYZMHMAIC-NSHDSACASA-N 1 0 287.363 2.783 50 0 CFAARO c1ccc(OCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000096721133 185110336 /nfs/dbraw/zinc/11/03/36/185110336.db2.gz NKDJYMJYIISVDO-UHFFFAOYSA-N 1 0 274.408 2.626 50 0 CFAARO CC[C@@H](C)[C@H](CO)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000097015220 185152250 /nfs/dbraw/zinc/15/22/50/185152250.db2.gz SDLAOADDEYIHDV-MFKMUULPSA-N 1 0 268.426 2.907 50 0 CFAARO Clc1cccc(C2([NH2+]CCn3ccnc3)CC2)c1 ZINC000097033520 185155871 /nfs/dbraw/zinc/15/58/71/185155871.db2.gz SXEJTUNMMLPXKX-UHFFFAOYSA-N 1 0 261.756 2.815 50 0 CFAARO Cn1cc(C[N@@H+]2CCC[C@](C)(CO)C2)c(-c2ccccc2)n1 ZINC000097033944 185156017 /nfs/dbraw/zinc/15/60/17/185156017.db2.gz SVHXAAFPDQVULE-SFHVURJKSA-N 1 0 299.418 2.682 50 0 CFAARO C[C@@H]([NH2+][C@H](C)c1cccc(CO)c1)C(=O)Nc1ccccc1 ZINC000097035129 185157248 /nfs/dbraw/zinc/15/72/48/185157248.db2.gz HVNDYLGFQNUVGE-ZIAGYGMSSA-N 1 0 298.386 2.857 50 0 CFAARO COC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](SC)C2)cc1 ZINC000097034941 185157522 /nfs/dbraw/zinc/15/75/22/185157522.db2.gz VWJPUWHRSXHDGP-UONOGXRCSA-N 1 0 279.405 2.847 50 0 CFAARO CCO[C@H]1C[C@@H]([NH2+]Cc2ncc(C)s2)C1(C)C ZINC000097034590 185157594 /nfs/dbraw/zinc/15/75/94/185157594.db2.gz RVAYZOCXBHDSST-MNOVXSKESA-N 1 0 254.399 2.745 50 0 CFAARO Cc1ccc([C@@H]2CSCC[N@@H+]2CCCn2ccnc2)o1 ZINC000097034125 185157657 /nfs/dbraw/zinc/15/76/57/185157657.db2.gz YEGPGZFQWOVIRU-AWEZNQCLSA-N 1 0 291.420 2.965 50 0 CFAARO CCc1noc(C)c1NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000125479685 187187256 /nfs/dbraw/zinc/18/72/56/187187256.db2.gz UZECYQVDZXISGQ-ZYHUDNBSSA-N 1 0 279.384 2.510 50 0 CFAARO CCc1nnc2n1C[C@@H](C[NH2+]C/C=C/c1ccccc1)CC2 ZINC000069596568 346896421 /nfs/dbraw/zinc/89/64/21/346896421.db2.gz XOBQPLLOSSYMRE-YXMGTMDOSA-N 1 0 296.418 2.706 50 0 CFAARO CCc1nnc2n1C[C@H](C[NH2+]C/C=C/c1ccccc1)CC2 ZINC000069596562 346896692 /nfs/dbraw/zinc/89/66/92/346896692.db2.gz XOBQPLLOSSYMRE-FSNWXROXSA-N 1 0 296.418 2.706 50 0 CFAARO CC[C@@H](NC(=O)CC[NH+]1CCCCCC1)c1ccncc1 ZINC000219822193 529590452 /nfs/dbraw/zinc/59/04/52/529590452.db2.gz LDOUGGODHNRTLU-MRXNPFEDSA-N 1 0 289.423 2.915 50 0 CFAARO C[C@@H]([NH2+]C1(CO)CC1)c1ccc(Br)cc1F ZINC000126862450 187266367 /nfs/dbraw/zinc/26/63/67/187266367.db2.gz JENDQMHJILJUBS-MRVPVSSYSA-N 1 0 288.160 2.764 50 0 CFAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000205394501 539342990 /nfs/dbraw/zinc/34/29/90/539342990.db2.gz SLWATFJHLABMAO-JKDFXYPNSA-N 1 0 253.411 2.948 50 0 CFAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)c1 ZINC000128053008 187348675 /nfs/dbraw/zinc/34/86/75/187348675.db2.gz DJTALOJVMYTTGH-SGMGOOAPSA-N 1 0 279.380 2.922 50 0 CFAARO C[NH2+]CCN(C)C(=O)c1ccc(-c2ccccc2OC)cc1 ZINC000223885006 529973123 /nfs/dbraw/zinc/97/31/23/529973123.db2.gz IEYXUFAMKCHJAE-UHFFFAOYSA-N 1 0 298.386 2.654 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cnn(C)c1C ZINC000097145313 185548452 /nfs/dbraw/zinc/54/84/52/185548452.db2.gz KFIQJIAPZDSHRN-HNNXBMFYSA-N 1 0 299.418 2.947 50 0 CFAARO Cc1cc(Br)cnc1OC1CC[NH+](C)CC1 ZINC000130135658 539498439 /nfs/dbraw/zinc/49/84/39/539498439.db2.gz PWLYWIWFADNCPB-UHFFFAOYSA-N 1 0 285.185 2.626 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069328480 539509632 /nfs/dbraw/zinc/50/96/32/539509632.db2.gz GJKZOCFGUZQGQU-IAGOWNOFSA-N 1 0 272.392 2.662 50 0 CFAARO CC[NH+](CC)CCN1C(=O)CS[C@@H]1c1ccccc1 ZINC000002048656 346207050 /nfs/dbraw/zinc/20/70/50/346207050.db2.gz IAWAYXPVALMEET-OAHLLOKOSA-N 1 0 278.421 2.602 50 0 CFAARO CCC[NH2+]Cc1nnc(-c2ccccc2Cl)o1 ZINC000003411343 346208030 /nfs/dbraw/zinc/20/80/30/346208030.db2.gz HLACJFJUUUIGFJ-UHFFFAOYSA-N 1 0 251.717 2.890 50 0 CFAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(O)cc1 ZINC000022578853 346249726 /nfs/dbraw/zinc/24/97/26/346249726.db2.gz HQBLNEGZHGAXBV-UHFFFAOYSA-N 1 0 284.403 2.956 50 0 CFAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCSC1)CC2 ZINC000023283039 346251997 /nfs/dbraw/zinc/25/19/97/346251997.db2.gz KYFQUVCQJFGWCO-CYBMUJFWSA-N 1 0 279.405 2.567 50 0 CFAARO Oc1ccc(Cl)cc1C1=CC(c2cccnc2)=[NH+]CCN1 ZINC000032105005 346299717 /nfs/dbraw/zinc/29/97/17/346299717.db2.gz NZSIQFIBZIISRE-UHFFFAOYSA-N 1 0 299.761 2.874 50 0 CFAARO CC(C)[NH2+]C[C@H](O)OCCC12CC3CC(CC(C3)C1)C2 ZINC000032106151 346300723 /nfs/dbraw/zinc/30/07/23/346300723.db2.gz UVECCAUJNOJTMG-YYUOFMGYSA-N 1 0 281.440 2.926 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2C)C12CCCC2 ZINC000085680211 179113026 /nfs/dbraw/zinc/11/30/26/179113026.db2.gz SHFPYOSGOXFGHU-KBPBESRZSA-N 1 0 263.385 2.546 50 0 CFAARO C[NH2+]C[C@@H](C)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000008659932 539552219 /nfs/dbraw/zinc/55/22/19/539552219.db2.gz AONRUTIUKXIKAZ-CRAIPNDOSA-N 1 0 269.388 2.972 50 0 CFAARO COCC[NH+]1CCC(N[C@H](C)c2cc(F)ccc2F)CC1 ZINC000076046898 347115944 /nfs/dbraw/zinc/11/59/44/347115944.db2.gz FGFPZRPQOKAKQS-GFCCVEGCSA-N 1 0 298.377 2.726 50 0 CFAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000079020800 347285463 /nfs/dbraw/zinc/28/54/63/347285463.db2.gz FRYFPIYYAUVTTP-STQMWFEESA-N 1 0 253.415 2.574 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccccc1F ZINC000078898052 347278528 /nfs/dbraw/zinc/27/85/28/347278528.db2.gz LFZHONMTKYDHNR-WBMJQRKESA-N 1 0 290.382 2.562 50 0 CFAARO C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000078898286 347278862 /nfs/dbraw/zinc/27/88/62/347278862.db2.gz QOSKTQWCWJTWFG-ZEDVSWOJSA-N 1 0 298.430 2.936 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000078897207 347279028 /nfs/dbraw/zinc/27/90/28/347279028.db2.gz WPPVMWJHVKSVRO-JQWIXIFHSA-N 1 0 284.787 2.670 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000084714659 347470376 /nfs/dbraw/zinc/47/03/76/347470376.db2.gz PMEDLDJLQKXDRO-XEZPLFJOSA-N 1 0 260.381 2.594 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2C)[C@@H](C)C1 ZINC000089686435 347526636 /nfs/dbraw/zinc/52/66/36/347526636.db2.gz ADAPTOTVYCVSLU-SUMWQHHRSA-N 1 0 274.408 2.650 50 0 CFAARO Cc1nc2c(s1)[C@@H]([NH2+]C1CCC(O)CC1)CCC2 ZINC000090800184 347557427 /nfs/dbraw/zinc/55/74/27/347557427.db2.gz GLBLSEIWNVADAH-XIVSLSHWSA-N 1 0 266.410 2.722 50 0 CFAARO COc1ccc([C@@H]([NH2+]CC[C@H](C)O)C(C)C)cc1 ZINC000091339926 347583102 /nfs/dbraw/zinc/58/31/02/347583102.db2.gz CLSOHIGRMBHUQT-WFASDCNBSA-N 1 0 251.370 2.753 50 0 CFAARO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CCCCC1 ZINC000095467197 347698144 /nfs/dbraw/zinc/69/81/44/347698144.db2.gz IOTNDURBTDLMDV-ZDUSSCGKSA-N 1 0 281.444 2.691 50 0 CFAARO CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000095423635 347698330 /nfs/dbraw/zinc/69/83/30/347698330.db2.gz PVRFPIAGPKRJRC-KNBMTAEXSA-N 1 0 291.460 2.823 50 0 CFAARO CC(C)C(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@H]1C ZINC000095882818 347698739 /nfs/dbraw/zinc/69/87/39/347698739.db2.gz PNEKCZNQOVAYFM-BBRMVZONSA-N 1 0 261.365 2.805 50 0 CFAARO CCC(CC)C[NH2+]C[C@@H]1COc2ccccc2C1=O ZINC000096026758 347700296 /nfs/dbraw/zinc/70/02/96/347700296.db2.gz AZQKLDGBETYZQU-CYBMUJFWSA-N 1 0 261.365 2.904 50 0 CFAARO CCOC(=O)[C@]1([NH+]2CCCCC2)CCCC[C@H]1C ZINC000096026490 347700477 /nfs/dbraw/zinc/70/04/77/347700477.db2.gz NWZRDHYUYXTYJP-HIFRSBDPSA-N 1 0 253.386 2.984 50 0 CFAARO CCCC[NH2+]C[C@H]1COc2c(C)cc(C)cc2C1=O ZINC000096026804 347700709 /nfs/dbraw/zinc/70/07/09/347700709.db2.gz TVNYZCYJKGKFEQ-ZDUSSCGKSA-N 1 0 261.365 2.884 50 0 CFAARO C[C@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C)[S@](C)=O ZINC000123643048 347820269 /nfs/dbraw/zinc/82/02/69/347820269.db2.gz HXSVPSZVPPTQOA-QEPJRFBGSA-N 1 0 279.449 2.925 50 0 CFAARO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)c1ccco1 ZINC000128793487 347853881 /nfs/dbraw/zinc/85/38/81/347853881.db2.gz LTZWNRONGKDGLC-UHFFFAOYSA-N 1 0 292.766 2.761 50 0 CFAARO CCNC(=O)NCC1([NH3+])CCC(C(C)(C)CC)CC1 ZINC000725255050 539586627 /nfs/dbraw/zinc/58/66/27/539586627.db2.gz PLYCFLDJGSBPNK-UHFFFAOYSA-N 1 0 269.433 2.629 50 0 CFAARO CC(=O)N1CCC([C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000169789071 348052260 /nfs/dbraw/zinc/05/22/60/348052260.db2.gz BESKPMMYSPWQSM-OAHLLOKOSA-N 1 0 264.413 2.509 50 0 CFAARO C[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)[S@](C)=O ZINC000170064121 348053639 /nfs/dbraw/zinc/05/36/39/348053639.db2.gz XYRBNYANTRFYAO-RHXQLXPWSA-N 1 0 269.385 2.560 50 0 CFAARO CC[C@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000170594069 348054932 /nfs/dbraw/zinc/05/49/32/348054932.db2.gz GGGOIIJARHVGIB-LBPRGKRZSA-N 1 0 258.369 2.707 50 0 CFAARO O=C(NC[C@H]1CCC[NH2+]1)c1ccccc1Nc1ccccc1 ZINC000178725191 348120145 /nfs/dbraw/zinc/12/01/45/348120145.db2.gz GXHLTHCSGUWSGA-OAHLLOKOSA-N 1 0 295.386 2.912 50 0 CFAARO Cc1ccn2c(C[N@H+](C)CCc3ccncc3)cnc2c1 ZINC000183758279 348126727 /nfs/dbraw/zinc/12/67/27/348126727.db2.gz OJTLBZGEOFGJJY-UHFFFAOYSA-N 1 0 280.375 2.712 50 0 CFAARO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000195554953 348146074 /nfs/dbraw/zinc/14/60/74/348146074.db2.gz RWKNUMWYTDIIEU-SECBINFHSA-N 1 0 284.762 2.656 50 0 CFAARO OC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000195570211 348146951 /nfs/dbraw/zinc/14/69/51/348146951.db2.gz JJNAFXLXBQRMFO-RKDXNWHRSA-N 1 0 294.342 2.803 50 0 CFAARO [NH3+]CCCOc1ccccc1OCc1ccccc1 ZINC000217796277 348165257 /nfs/dbraw/zinc/16/52/57/348165257.db2.gz GZBPZZHBZJJOOS-UHFFFAOYSA-N 1 0 257.333 2.993 50 0 CFAARO Cc1cc(C)n(C[C@H](C)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000245339359 348252072 /nfs/dbraw/zinc/25/20/72/348252072.db2.gz SFJOIDMOLHOWGR-MPESAESLSA-N 1 0 291.439 2.539 50 0 CFAARO c1cnn(Cc2ccccc2C[NH2+][C@H]2CCSC2)c1 ZINC000236616618 348234228 /nfs/dbraw/zinc/23/42/28/348234228.db2.gz UCVMZZPSKLIXRH-HNNXBMFYSA-N 1 0 273.405 2.527 50 0 CFAARO C[C@@H]1CC[C@H](CSC2=[NH+][C@@H]3CCCC[C@H]3N2)O1 ZINC000248970920 348279442 /nfs/dbraw/zinc/27/94/42/348279442.db2.gz SFBXYZDGFKPPBI-DDHJBXDOSA-N 1 0 254.399 2.558 50 0 CFAARO CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)c1ncn(C)n1 ZINC000401621578 348578182 /nfs/dbraw/zinc/57/81/82/348578182.db2.gz ROONUDKLYMYPNV-XQQFMLRXSA-N 1 0 250.390 2.682 50 0 CFAARO CC(C)(C)OC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000575454111 348670352 /nfs/dbraw/zinc/67/03/52/348670352.db2.gz MDWBGHKUABQPQJ-UHFFFAOYSA-N 1 0 264.325 2.516 50 0 CFAARO CC1(C)C[NH2+]Cc2cnn(-c3ccccc3F)c2C1 ZINC000536948716 348650912 /nfs/dbraw/zinc/65/09/12/348650912.db2.gz HEKHQVAJYPJRSJ-UHFFFAOYSA-N 1 0 259.328 2.683 50 0 CFAARO OC1(CC[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CCCC1 ZINC000584885844 348727576 /nfs/dbraw/zinc/72/75/76/348727576.db2.gz NCZPULIWGZNJHE-OAHLLOKOSA-N 1 0 292.398 2.689 50 0 CFAARO CCc1nccn1C[C@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584903628 348733543 /nfs/dbraw/zinc/73/35/43/348733543.db2.gz CXFKNJMXXFHARD-ZDUSSCGKSA-N 1 0 272.396 2.636 50 0 CFAARO CC(C)(C)OC(=O)NCC1CC([NH2+]C2CCCC2)C1 ZINC000585135775 348735445 /nfs/dbraw/zinc/73/54/45/348735445.db2.gz BCEMMSRGDVRECT-UHFFFAOYSA-N 1 0 268.401 2.822 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H](c1ccccc1)N(C)C ZINC000585140470 348737359 /nfs/dbraw/zinc/73/73/59/348737359.db2.gz FQNNRIRYQWMOHE-DYVFJYSZSA-N 1 0 285.391 2.568 50 0 CFAARO Cc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@H]2C)c(Cl)c1 ZINC000089669812 179844851 /nfs/dbraw/zinc/84/48/51/179844851.db2.gz OONBXFUBVRSSGW-AAEUAGOBSA-N 1 0 296.798 2.744 50 0 CFAARO Brc1ccc2c(c1)C[NH2+]CC21CCC1 ZINC000091368565 180143258 /nfs/dbraw/zinc/14/32/58/180143258.db2.gz PROQQGYSPZSSHF-UHFFFAOYSA-N 1 0 252.155 2.974 50 0 CFAARO Cc1cnc(N)nc1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000091305864 180131439 /nfs/dbraw/zinc/13/14/39/180131439.db2.gz VEFYFUZLXJSZGV-OAHLLOKOSA-N 1 0 297.406 2.616 50 0 CFAARO CCc1nnc(NCc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000091305761 180131511 /nfs/dbraw/zinc/13/15/11/180131511.db2.gz GFFVBINFIJUVQP-UHFFFAOYSA-N 1 0 286.379 2.840 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)cc1F ZINC000091321004 180133765 /nfs/dbraw/zinc/13/37/65/180133765.db2.gz IYZOLJMOVSNZST-PXAZEXFGSA-N 1 0 293.382 2.817 50 0 CFAARO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)cc1Cl ZINC000091364837 180142499 /nfs/dbraw/zinc/14/24/99/180142499.db2.gz YWEOINVIPUCCRC-UONOGXRCSA-N 1 0 294.826 2.875 50 0 CFAARO OCC[NH2+]Cc1ccc(C[C@H]2COc3ccccc3C2)cc1 ZINC000091434423 180154304 /nfs/dbraw/zinc/15/43/04/180154304.db2.gz XIQUHIUYUOWXOW-QGZVFWFLSA-N 1 0 297.398 2.562 50 0 CFAARO Cc1ccc(F)c(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c1F ZINC000091518803 180177518 /nfs/dbraw/zinc/17/75/18/180177518.db2.gz TYYGKSPCTSGZJT-QWHCGFSZSA-N 1 0 280.362 2.799 50 0 CFAARO c1cc(OCC[NH+]2CCCC2)ccc1C[C@@H]1CCCO1 ZINC000091535324 180182374 /nfs/dbraw/zinc/18/23/74/180182374.db2.gz IUVKCVPMECYIKY-KRWDZBQOSA-N 1 0 275.392 2.883 50 0 CFAARO CC[C@H]1C=CC[N@@H+]1Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091552049 180189729 /nfs/dbraw/zinc/18/97/29/180189729.db2.gz IUOAODXLLAAHEV-LBPRGKRZSA-N 1 0 272.323 2.818 50 0 CFAARO Cc1ccc(C[NH+]2CCC(CNc3ccncn3)CC2)o1 ZINC000091636809 180211252 /nfs/dbraw/zinc/21/12/52/180211252.db2.gz SXAOQROYXMXSFX-UHFFFAOYSA-N 1 0 286.379 2.702 50 0 CFAARO CCCc1ncc(C[N@@H+]2CCC[C@](CO)(CCC)C2)cn1 ZINC000091713789 180231777 /nfs/dbraw/zinc/23/17/77/180231777.db2.gz QSHRDVMQNLCSFP-QGZVFWFLSA-N 1 0 291.439 2.804 50 0 CFAARO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C)C2)[nH]c2c1c(C)ccc2C ZINC000091620057 180209096 /nfs/dbraw/zinc/20/90/96/180209096.db2.gz JFHWOJPIDCGPBV-AWEZNQCLSA-N 1 0 299.418 2.869 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@H](C)CCc2ccc(O)cc2)n1 ZINC000105433069 186056404 /nfs/dbraw/zinc/05/64/04/186056404.db2.gz QYMWBEAGUKJNTB-GFCCVEGCSA-N 1 0 286.375 2.912 50 0 CFAARO Cc1ncsc1C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000091960968 180292361 /nfs/dbraw/zinc/29/23/61/180292361.db2.gz YNSNXIOEDSJHRC-WCQYABFASA-N 1 0 276.409 2.731 50 0 CFAARO CCc1c(C)[nH+]c(N)nc1N(C)Cc1ccsc1 ZINC000091877250 180278812 /nfs/dbraw/zinc/27/88/12/180278812.db2.gz WCNUCFKEKJOOQM-UHFFFAOYSA-N 1 0 262.382 2.628 50 0 CFAARO CSCCC[NH2+]Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000092045596 180311264 /nfs/dbraw/zinc/31/12/64/180311264.db2.gz SFUKGLVIRMIKDL-UHFFFAOYSA-N 1 0 276.405 2.679 50 0 CFAARO CC(C)c1cc(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)on1 ZINC000092107197 180326581 /nfs/dbraw/zinc/32/65/81/180326581.db2.gz HTJIJCUPEFGIJT-WBMJQRKESA-N 1 0 278.396 2.781 50 0 CFAARO COc1ccccc1CCc1ccccc1OCC[NH3+] ZINC000601008696 350644906 /nfs/dbraw/zinc/64/49/06/350644906.db2.gz SRDFLYODCFALSW-UHFFFAOYSA-N 1 0 271.360 2.818 50 0 CFAARO c1cnn(CC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000111229223 186371597 /nfs/dbraw/zinc/37/15/97/186371597.db2.gz MAPYVRYFRVLRCP-UHFFFAOYSA-N 1 0 297.402 2.730 50 0 CFAARO Cc1ccc(/C=C\C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)c1 ZINC000606441908 351270526 /nfs/dbraw/zinc/27/05/26/351270526.db2.gz RTBZISGWUHSNFL-OSSRSAFMSA-N 1 0 286.419 2.902 50 0 CFAARO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)CC2 ZINC000121544766 186979778 /nfs/dbraw/zinc/97/97/78/186979778.db2.gz ZBWNSFWNYIFYQD-KBRIMQKVSA-N 1 0 289.419 2.693 50 0 CFAARO C[C@@](O)(C[NH2+]C[C@@H]1CC=CCC1)c1ccsc1 ZINC000123476990 187094330 /nfs/dbraw/zinc/09/43/30/187094330.db2.gz DWGZOIBEXMTOAZ-TZMCWYRMSA-N 1 0 251.395 2.902 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)c2ccccc2C)C1 ZINC000133140098 187667458 /nfs/dbraw/zinc/66/74/58/187667458.db2.gz ARZMSOPPDCKKPI-HUUCEWRRSA-N 1 0 274.408 2.699 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)CCc2ccccc2F)C1 ZINC000133144173 187668368 /nfs/dbraw/zinc/66/83/68/187668368.db2.gz DBRWICTUWIJLGZ-UKRRQHHQSA-N 1 0 292.398 2.605 50 0 CFAARO C[NH2+]Cc1cc(-c2cc(Br)ccc2C)n[nH]1 ZINC000217243341 539891673 /nfs/dbraw/zinc/89/16/73/539891673.db2.gz XWOAMJONAVZXIL-UHFFFAOYSA-N 1 0 280.169 2.867 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cccc(CO)c1 ZINC000134788294 187772970 /nfs/dbraw/zinc/77/29/70/187772970.db2.gz YROXGONTZORSOV-SJWGOKEGSA-N 1 0 287.403 2.787 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000156322687 188255728 /nfs/dbraw/zinc/25/57/28/188255728.db2.gz RQTMUHSBHRTIBI-DENSBJQYSA-N 1 0 292.810 2.939 50 0 CFAARO OC[C@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000157122617 188298253 /nfs/dbraw/zinc/29/82/53/188298253.db2.gz PGJPLZNBBROMEK-QGZVFWFLSA-N 1 0 285.391 2.609 50 0 CFAARO O=C(N[C@@H](Cc1ccccc1)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000157165444 188301267 /nfs/dbraw/zinc/30/12/67/188301267.db2.gz FKKLKZDQRSPIDL-IRXDYDNUSA-N 1 0 286.419 2.514 50 0 CFAARO Cc1cccc(NCCCNC(=O)c2cccs2)[nH+]1 ZINC000157310088 188309168 /nfs/dbraw/zinc/30/91/68/188309168.db2.gz SGTAKPJQDIITAX-UHFFFAOYSA-N 1 0 275.377 2.684 50 0 CFAARO C[C@@H](CCO)[NH2+][C@H]1CCCSc2ccccc21 ZINC000095422783 295868425 /nfs/dbraw/zinc/86/84/25/295868425.db2.gz BPKNFAYAYPNBCW-AAEUAGOBSA-N 1 0 251.395 2.974 50 0 CFAARO C=CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000685940203 540021289 /nfs/dbraw/zinc/02/12/89/540021289.db2.gz XOTLHOLUVAOQIM-WFASDCNBSA-N 1 0 278.783 2.635 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000685939676 540020686 /nfs/dbraw/zinc/02/06/86/540020686.db2.gz IBGIZIKJCKURKZ-AGIUHOORSA-N 1 0 262.401 2.844 50 0 CFAARO O=C(OCc1ccccc1)N1CCC2(CCC[NH2+]C2)CC1 ZINC000169804484 188665676 /nfs/dbraw/zinc/66/56/76/188665676.db2.gz MJFCNYBRYLRKQG-UHFFFAOYSA-N 1 0 288.391 2.789 50 0 CFAARO NC(=O)CC1([NH2+]Cc2csc(C(F)(F)F)c2)CCC1 ZINC000628240862 354497288 /nfs/dbraw/zinc/49/72/88/354497288.db2.gz XVZYIPWTZUBCFD-UHFFFAOYSA-N 1 0 292.326 2.655 50 0 CFAARO Ic1ccccc1[C@H]1CCC[NH2+]1 ZINC000003732250 283041504 /nfs/dbraw/zinc/04/15/04/283041504.db2.gz SJORLPPHBJDNJQ-SNVBAGLBSA-N 1 0 273.117 2.716 50 0 CFAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@H]2CC)cc1 ZINC000083823678 540184458 /nfs/dbraw/zinc/18/44/58/540184458.db2.gz RWTDLYPUALDLDF-QZTJIDSGSA-N 1 0 288.435 2.986 50 0 CFAARO CCn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc(C)o2)cn1 ZINC000083843504 540185252 /nfs/dbraw/zinc/18/52/52/540185252.db2.gz GSMVLGIVWVHHSG-BBRMVZONSA-N 1 0 289.379 2.672 50 0 CFAARO CC(C)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000084544271 540200577 /nfs/dbraw/zinc/20/05/77/540200577.db2.gz BYGBMTHOBCQPLC-IRXDYDNUSA-N 1 0 286.419 2.590 50 0 CFAARO CC[C@H](C[NH2+]Cc1nccn1C)Oc1cccc(F)c1 ZINC000084674771 540205222 /nfs/dbraw/zinc/20/52/22/540205222.db2.gz FCKMULUGSMFQPF-CYBMUJFWSA-N 1 0 277.343 2.506 50 0 CFAARO CC(C)c1nc(C[NH+]2CCCCCCC2)cc(=O)[nH]1 ZINC000085430900 540221886 /nfs/dbraw/zinc/22/18/86/540221886.db2.gz ZZSYWECAMJNNBP-UHFFFAOYSA-N 1 0 263.385 2.659 50 0 CFAARO NC(=O)c1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000037118462 283384707 /nfs/dbraw/zinc/38/47/07/283384707.db2.gz QFKOROZDWRHETF-KRWDZBQOSA-N 1 0 280.371 2.953 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(F)cc2F)N1 ZINC000007128056 283409490 /nfs/dbraw/zinc/40/94/90/283409490.db2.gz DUDUKPJLIMPEGF-ZDUSSCGKSA-N 1 0 299.284 2.602 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCC(C)CC1 ZINC000095423694 540724245 /nfs/dbraw/zinc/72/42/45/540724245.db2.gz BXWSOVMQJJRSHR-BPCQOVAHSA-N 1 0 262.401 2.844 50 0 CFAARO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCN(C)C1)CCC2 ZINC000095420734 540724502 /nfs/dbraw/zinc/72/45/02/540724502.db2.gz ZAJDZFMQZHPJAV-VXGBXAGGSA-N 1 0 279.453 2.767 50 0 CFAARO O=C([C@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000095966906 540725952 /nfs/dbraw/zinc/72/59/52/540725952.db2.gz KQMZGONPICMGPF-HNNXBMFYSA-N 1 0 264.413 2.511 50 0 CFAARO O[C@@]1(C(F)(F)F)CC[N@H+](CCCCC2CCOCC2)C1 ZINC000252492477 540748955 /nfs/dbraw/zinc/74/89/55/540748955.db2.gz MNKHCTICXLHAEZ-ZDUSSCGKSA-N 1 0 295.345 2.582 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000179468776 189196197 /nfs/dbraw/zinc/19/61/97/189196197.db2.gz CGQMFUISWZMSLZ-MRXNPFEDSA-N 1 0 270.380 2.732 50 0 CFAARO COCCC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000584908737 540935192 /nfs/dbraw/zinc/93/51/92/540935192.db2.gz CMTBKXMIORAUFR-OAHLLOKOSA-N 1 0 287.407 2.785 50 0 CFAARO [NH3+][C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 ZINC000087859015 283619395 /nfs/dbraw/zinc/61/93/95/283619395.db2.gz MEDMOVJGPKLNJJ-CJNGLKHVSA-N 1 0 273.307 2.536 50 0 CFAARO c1ccc(Cc2noc(CC[NH2+]C3CCCC3)n2)cc1 ZINC000670438288 540994570 /nfs/dbraw/zinc/99/45/70/540994570.db2.gz BRVFSYMAFBUSRF-UHFFFAOYSA-N 1 0 271.364 2.735 50 0 CFAARO Cc1cccc(-n2ncnc2[C@H](C)C[NH+]2CCCCC2)n1 ZINC000670438026 540994854 /nfs/dbraw/zinc/99/48/54/540994854.db2.gz AURFQEOLQBYSML-CYBMUJFWSA-N 1 0 285.395 2.560 50 0 CFAARO CCCc1nnc(N2CC[NH+](CC3CCCC3)CC2)s1 ZINC000670447653 540998000 /nfs/dbraw/zinc/99/80/00/540998000.db2.gz DMPJZNPUBTVMCH-UHFFFAOYSA-N 1 0 294.468 2.803 50 0 CFAARO CCc1cc(N2CC[NH+](C[C@@H]3CC=CCC3)CC2)ncn1 ZINC000670451514 540999366 /nfs/dbraw/zinc/99/93/66/540999366.db2.gz GUXGGNPDYSUULH-OAHLLOKOSA-N 1 0 286.423 2.517 50 0 CFAARO CCCc1cc(C[NH2+][C@H](C)Cn2nc(C)cc2C)on1 ZINC000670452245 540999949 /nfs/dbraw/zinc/99/99/49/540999949.db2.gz RCVIHXGMHWXPLQ-GFCCVEGCSA-N 1 0 276.384 2.619 50 0 CFAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCCCc1ccccc1 ZINC000670453661 541001187 /nfs/dbraw/zinc/00/11/87/541001187.db2.gz GBCCLYIPCDSRAJ-IAGOWNOFSA-N 1 0 288.435 2.998 50 0 CFAARO 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1 0 278.421 2.610 50 0 CFAARO CC[C@@]1(C(=O)NCc2ccc(SC)cc2)CCC[NH2+]1 ZINC000184107321 189376328 /nfs/dbraw/zinc/37/63/28/189376328.db2.gz JEISSCRKOVQPFT-HNNXBMFYSA-N 1 0 278.421 2.557 50 0 CFAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1nccs1 ZINC000184553610 189389287 /nfs/dbraw/zinc/38/92/87/189389287.db2.gz WXTMSRZASWSUGT-MNOVXSKESA-N 1 0 297.424 2.679 50 0 CFAARO OCC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000667873301 541333404 /nfs/dbraw/zinc/33/34/04/541333404.db2.gz YFHJFYJGSKSKEF-WCXIOVBPSA-N 1 0 259.393 2.931 50 0 CFAARO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cscn1)C(C)C ZINC000449510699 241993492 /nfs/dbraw/zinc/99/34/92/241993492.db2.gz LSRLTWANPOTKJH-OLZOCXBDSA-N 1 0 256.415 2.522 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227809427 189788321 /nfs/dbraw/zinc/78/83/21/189788321.db2.gz DWCYFNLCZPETNG-GRYCIOLGSA-N 1 0 280.799 2.987 50 0 CFAARO OC[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000000209123 371559190 /nfs/dbraw/zinc/55/91/90/371559190.db2.gz 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/nfs/dbraw/zinc/54/99/18/371549918.db2.gz BXKVYLVDXNEOQL-INIZCTEOSA-N 1 0 263.381 2.871 50 0 CFAARO c1ccc(CCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000000182050 371551242 /nfs/dbraw/zinc/55/12/42/371551242.db2.gz AAJHNYYYUDQXQQ-UHFFFAOYSA-N 1 0 258.409 2.789 50 0 CFAARO CCOC(=O)c1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1 ZINC000000188851 371553436 /nfs/dbraw/zinc/55/34/36/371553436.db2.gz HHFYDXQZAAYDIX-AWEZNQCLSA-N 1 0 284.359 2.799 50 0 CFAARO CN1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000000220888 371560338 /nfs/dbraw/zinc/56/03/38/371560338.db2.gz KLQQBOCXNLMLEQ-UHFFFAOYSA-N 1 0 252.789 2.566 50 0 CFAARO c1[nH]c2ccccc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000000238097 371564603 /nfs/dbraw/zinc/56/46/03/371564603.db2.gz DGRLQDVYINGXQV-UHFFFAOYSA-N 1 0 292.386 2.885 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000000239944 371565820 /nfs/dbraw/zinc/56/58/20/371565820.db2.gz ZJMWYJHDDYIQBF-ZDUSSCGKSA-N 1 0 265.328 2.601 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000000240283 371566871 /nfs/dbraw/zinc/56/68/71/371566871.db2.gz YNKOWKCMEDWXBE-OAHLLOKOSA-N 1 0 291.391 2.779 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC000000244349 371567554 /nfs/dbraw/zinc/56/75/54/371567554.db2.gz AQVNRQCOOXEVMG-LLVKDONJSA-N 1 0 266.772 2.554 50 0 CFAARO COc1ccc(OCCn2c(N)[nH+]c3ccccc32)cc1 ZINC000000274945 371574296 /nfs/dbraw/zinc/57/42/96/371574296.db2.gz SWTGVGMUAVYHSO-UHFFFAOYSA-N 1 0 283.331 2.706 50 0 CFAARO COc1ccc(C[NH2+]Cc2ccccc2)c(OC)c1 ZINC000000280945 371576187 /nfs/dbraw/zinc/57/61/87/371576187.db2.gz NUNNRGRUURRZRA-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH2+]C(C)C)c1 ZINC000000283921 371577978 /nfs/dbraw/zinc/57/79/78/371577978.db2.gz JROAPJGDJGDCME-AWEZNQCLSA-N 1 0 265.397 2.856 50 0 CFAARO C[C@H](C[NH2+]C[C@H]1CCCO1)COc1ccccc1F ZINC000000312226 371586418 /nfs/dbraw/zinc/58/64/18/371586418.db2.gz OGHRAOHFMRHTKI-CHWSQXEVSA-N 1 0 267.344 2.609 50 0 CFAARO Cn1c(-c2ccc(C=O)cc2)c[n+]2cc(Cl)ccc12 ZINC000000337669 371589889 /nfs/dbraw/zinc/58/98/89/371589889.db2.gz NCLWZSXGEYJSSI-UHFFFAOYSA-N 1 0 271.727 2.897 50 0 CFAARO COc1cccc(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000000351488 371592686 /nfs/dbraw/zinc/59/26/86/371592686.db2.gz UGOAGCAVPCSLHF-ZNMIVQPWSA-N 1 0 293.407 2.698 50 0 CFAARO CCOc1c(C[NH2+]Cc2ccncc2)cccc1OC ZINC000000360315 371594421 /nfs/dbraw/zinc/59/44/21/371594421.db2.gz ATLRIMKRZUDCOU-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO CC(C)(C)c1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000000383073 371600693 /nfs/dbraw/zinc/60/06/93/371600693.db2.gz PVBGPYWUURQFGT-UHFFFAOYSA-N 1 0 274.408 2.810 50 0 CFAARO CC(C)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000000564332 371639775 /nfs/dbraw/zinc/63/97/75/371639775.db2.gz KRFFBLYJEXFYQU-UHFFFAOYSA-N 1 0 251.717 2.888 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000000568021 371640384 /nfs/dbraw/zinc/64/03/84/371640384.db2.gz HBGVFZGMIAOPQO-INIZCTEOSA-N 1 0 277.408 2.775 50 0 CFAARO C[C@H](C[NH2+]Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000001507927 371679189 /nfs/dbraw/zinc/67/91/89/371679189.db2.gz HRQIYSUCKIYEGG-OAHLLOKOSA-N 1 0 282.387 2.729 50 0 CFAARO COc1ccc(C[C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)cc1 ZINC000000804412 371650672 /nfs/dbraw/zinc/65/06/72/371650672.db2.gz PANQQHGRCGEZCM-IXDOHACOSA-N 1 0 275.392 2.521 50 0 CFAARO CC1CC[NH+](C[C@H](O)Cn2ccc3ccccc32)CC1 ZINC000000938178 371654864 /nfs/dbraw/zinc/65/48/64/371654864.db2.gz SRLRZQHWBSQUKZ-INIZCTEOSA-N 1 0 272.392 2.734 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000001191428 371661856 /nfs/dbraw/zinc/66/18/56/371661856.db2.gz ULKRONYQGUYPJU-HLLBOEOZSA-N 1 0 277.408 2.542 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cc2ccccc2o1 ZINC000002005777 371712053 /nfs/dbraw/zinc/71/20/53/371712053.db2.gz DGJBPRMNHNWEIP-UHFFFAOYSA-N 1 0 260.337 2.504 50 0 CFAARO CN1C[C@H](CC[N@H+]2CC=C(c3ccccc3)CC2)OC1=O ZINC000002015819 371712228 /nfs/dbraw/zinc/71/22/28/371712228.db2.gz YUORBURTMIUPMW-INIZCTEOSA-N 1 0 286.375 2.616 50 0 in-man CFAARO COc1ccc(C[C@H](C[NH3+])c2ccccc2)cc1OC ZINC000002387076 371726119 /nfs/dbraw/zinc/72/61/19/371726119.db2.gz ZHNAWZHSCCNHNI-OAHLLOKOSA-N 1 0 271.360 2.989 50 0 CFAARO c1ccc(COc2ccccc2N2CC[NH2+]CC2)cc1 ZINC000002527252 371732827 /nfs/dbraw/zinc/73/28/27/371732827.db2.gz PPQUPQGZDGZYJI-UHFFFAOYSA-N 1 0 268.360 2.675 50 0 in-vivo CFAARO O=C(N(c1ccccc1)c1ccccc1)N1CC[NH2+]CC1 ZINC000001663821 371691181 /nfs/dbraw/zinc/69/11/81/371691181.db2.gz XQRSOLXZAPIGQA-UHFFFAOYSA-N 1 0 281.359 2.850 50 0 CFAARO S=C(Nc1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000001721977 371703663 /nfs/dbraw/zinc/70/36/63/371703663.db2.gz MVYOIYBAGOCJGJ-AWEZNQCLSA-N 1 0 275.421 2.554 50 0 CFAARO COc1ccc(C(=O)CC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000002891185 371762718 /nfs/dbraw/zinc/76/27/18/371762718.db2.gz FFWKIXLFUJZJIB-ZDUSSCGKSA-N 1 0 261.365 3.000 50 0 CFAARO CC(C)[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000002615925 371741447 /nfs/dbraw/zinc/74/14/47/371741447.db2.gz TXCXTKOIVUBDPR-UHFFFAOYSA-N 1 0 260.259 2.642 50 0 CFAARO COCCC[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000004092293 371832215 /nfs/dbraw/zinc/83/22/15/371832215.db2.gz JVNAQQVGWZENIE-MRXNPFEDSA-N 1 0 256.349 2.797 50 0 CFAARO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000003564850 371809686 /nfs/dbraw/zinc/80/96/86/371809686.db2.gz NQTWTQXWOBKWGU-ZDUSSCGKSA-N 1 0 272.392 2.846 50 0 CFAARO COc1ccc(C[C@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000004290956 371847955 /nfs/dbraw/zinc/84/79/55/371847955.db2.gz PANQQHGRCGEZCM-BBWFWOEESA-N 1 0 275.392 2.521 50 0 CFAARO Fc1ccc(OCCCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000004311507 371849694 /nfs/dbraw/zinc/84/96/94/371849694.db2.gz FZJAVZYWZURUPA-OAHLLOKOSA-N 1 0 267.344 2.753 50 0 CFAARO CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000004343450 371851342 /nfs/dbraw/zinc/85/13/42/371851342.db2.gz XJCLMIPLNVXPDG-KFWWJZLASA-N 1 0 259.349 2.775 50 0 biogenic,in-vitro CFAARO CCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000004524500 371862822 /nfs/dbraw/zinc/86/28/22/371862822.db2.gz BZYJTNJQADRYCE-GOEBONIOSA-N 1 0 272.392 2.929 50 0 CFAARO [NH3+]CCSc1ncc(C(F)(F)F)cc1Cl ZINC000004206492 371841903 /nfs/dbraw/zinc/84/19/03/371841903.db2.gz UCWYEENFIWMFAZ-UHFFFAOYSA-N 1 0 256.680 2.805 50 0 CFAARO Cc1ccccc1N1C(=O)C(C=C2C=C[NH2+]C=C2)=NC1=S ZINC000010213840 371902287 /nfs/dbraw/zinc/90/22/87/371902287.db2.gz FEFLENJSARYEDY-UHFFFAOYSA-N 1 0 295.367 2.625 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2)C1 ZINC000010542829 371911346 /nfs/dbraw/zinc/91/13/46/371911346.db2.gz WNSFLYVCUYPJMP-GJZGRUSLSA-N 1 0 274.408 2.784 50 0 CFAARO COc1cc(C[NH3+])ccc1OCc1ccccc1F ZINC000011822934 371930044 /nfs/dbraw/zinc/93/00/44/371930044.db2.gz SAHIQXMLBSVROC-UHFFFAOYSA-N 1 0 261.296 2.872 50 0 CFAARO CC(C)(C)C1CCC([NH2+][C@H]2CCCCNC2=O)CC1 ZINC000012381370 371957418 /nfs/dbraw/zinc/95/74/18/371957418.db2.gz HMMDIOKXQZMSTA-RUXDESIVSA-N 1 0 266.429 2.850 50 0 CFAARO Cc1ccccc1C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000012442732 371964705 /nfs/dbraw/zinc/96/47/05/371964705.db2.gz QGKNFZUFJOUNLK-UHFFFAOYSA-N 1 0 274.408 2.845 50 0 CFAARO CCCC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000012938303 372002213 /nfs/dbraw/zinc/00/22/13/372002213.db2.gz VTBZTETWBHNJOO-LBPRGKRZSA-N 1 0 294.395 2.721 50 0 CFAARO CC(C)[C@@H]1O[C@H](c2ccccc2)CN1CCC[NH+](C)C ZINC000012652637 371979541 /nfs/dbraw/zinc/97/95/41/371979541.db2.gz PBFNXZXJUZGFQH-IRXDYDNUSA-N 1 0 276.424 2.994 50 0 CFAARO C[C@H](CCO)[NH2+]Cc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000012712282 371981612 /nfs/dbraw/zinc/98/16/12/371981612.db2.gz PZUQKCCRMOFXMK-GFCCVEGCSA-N 1 0 272.392 2.907 50 0 CFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1=CCCC1 ZINC000012192502 371948640 /nfs/dbraw/zinc/94/86/40/371948640.db2.gz JWNSGSMBQWUBKL-GOSISDBHSA-N 1 0 298.430 2.920 50 0 CFAARO C[N@@H+]1CCCN(C(=O)c2cccc3ccccc32)CC1 ZINC000013323044 372023144 /nfs/dbraw/zinc/02/31/44/372023144.db2.gz ZASHNSHZYJKPSE-UHFFFAOYSA-N 1 0 268.360 2.618 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000013521823 372030440 /nfs/dbraw/zinc/03/04/40/372030440.db2.gz MXPXKANYMKBUKK-JTQLQIEISA-N 1 0 287.388 2.964 50 0 CFAARO O=C(NCCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000013613396 372035515 /nfs/dbraw/zinc/03/55/15/372035515.db2.gz FNAFKFYEBNLVAG-UHFFFAOYSA-N 1 0 280.799 2.946 50 0 CFAARO CC1CC[NH+](CCCNC(=O)c2ccccc2F)CC1 ZINC000013612365 372035617 /nfs/dbraw/zinc/03/56/17/372035617.db2.gz SCDUALSKUGQFCR-UHFFFAOYSA-N 1 0 278.371 2.678 50 0 CFAARO CCC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000013718111 372043541 /nfs/dbraw/zinc/04/35/41/372043541.db2.gz SNKCRYRRWYPWGR-UHFFFAOYSA-N 1 0 267.369 2.991 50 0 CFAARO CC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1 ZINC000014020535 372057105 /nfs/dbraw/zinc/05/71/05/372057105.db2.gz XWWYHYYVCQVRRY-CQSZACIVSA-N 1 0 287.363 2.832 50 0 CFAARO COc1ccc(C[C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)cc1 ZINC000013116394 372014561 /nfs/dbraw/zinc/01/45/61/372014561.db2.gz PANQQHGRCGEZCM-YESZJQIVSA-N 1 0 275.392 2.521 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000016580643 372111661 /nfs/dbraw/zinc/11/16/61/372111661.db2.gz XKRYVSJIZUCEDV-UHFFFAOYSA-N 1 0 266.410 2.661 50 0 CFAARO CCC[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000016602612 372111894 /nfs/dbraw/zinc/11/18/94/372111894.db2.gz UFRICSUELMMIIA-UHFFFAOYSA-N 1 0 274.408 2.610 50 0 CFAARO C[NH+]1CCC(NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000016580792 372111914 /nfs/dbraw/zinc/11/19/14/372111914.db2.gz LZIPJISYGWUBLE-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO CCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000016606307 372113629 /nfs/dbraw/zinc/11/36/29/372113629.db2.gz BERZZFZNEFUZFJ-UHFFFAOYSA-N 1 0 280.799 2.688 50 0 CFAARO Cc1ccc(C)c([C@H](C)[NH2+]CC(=O)NCc2ccco2)c1 ZINC000016695408 372117842 /nfs/dbraw/zinc/11/78/42/372117842.db2.gz WHJRJLITZZZYRP-AWEZNQCLSA-N 1 0 286.375 2.863 50 0 CFAARO CC(C)COC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000014989095 372077081 /nfs/dbraw/zinc/07/70/81/372077081.db2.gz WVVCLNLVEHQTRW-UHFFFAOYSA-N 1 0 265.353 2.691 50 0 CFAARO Cc1ccc([C@H]2C[NH2+]C[C@H]2NC(=O)OC(C)(C)C)cc1 ZINC000015020626 372078988 /nfs/dbraw/zinc/07/89/88/372078988.db2.gz KDBWMCGWFKBCFT-ZIAGYGMSSA-N 1 0 276.380 2.575 50 0 CFAARO Fc1cccc(CC[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000019720845 372180096 /nfs/dbraw/zinc/18/00/96/372180096.db2.gz QARFMLUOOJMPMW-UHFFFAOYSA-N 1 0 273.307 2.887 50 0 CFAARO Cc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000019364124 372156075 /nfs/dbraw/zinc/15/60/75/372156075.db2.gz YBFZPYXZSPHQLJ-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO Cc1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000019364127 372156513 /nfs/dbraw/zinc/15/65/13/372156513.db2.gz VNAIPHCKPYYNEZ-UHFFFAOYSA-N 1 0 281.403 2.708 50 0 CFAARO C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000019536397 372174126 /nfs/dbraw/zinc/17/41/26/372174126.db2.gz ZGSVISKQAACDOT-UHFFFAOYSA-N 1 0 272.314 2.843 50 0 CFAARO CN(CC[NH+](C)C)Cc1ccc(Br)s1 ZINC000019606983 372176534 /nfs/dbraw/zinc/17/65/34/372176534.db2.gz DEDZOEHGZQSJRZ-UHFFFAOYSA-N 1 0 277.231 2.504 50 0 CFAARO C[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccccc1 ZINC000019608917 372179095 /nfs/dbraw/zinc/17/90/95/372179095.db2.gz TYUSYUDHDKOXIA-INIZCTEOSA-N 1 0 259.324 2.991 50 0 CFAARO COc1cc(OC)c(/C=C/c2cccc[n+]2C)c(OC)c1 ZINC000017045961 372126091 /nfs/dbraw/zinc/12/60/91/372126091.db2.gz ROBVNVVECNXMLW-CMDGGOBGSA-N 1 0 286.351 2.707 50 0 CFAARO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC3)C1 ZINC000017245385 372131502 /nfs/dbraw/zinc/13/15/02/372131502.db2.gz MMGBWQXPHCBIBW-WMLDXEAASA-N 1 0 289.419 2.647 50 0 CFAARO CC(C)c1cccc2sc(N3CC[NH2+]CC3)nc21 ZINC000019946384 372214054 /nfs/dbraw/zinc/21/40/54/372214054.db2.gz MKXQDKMKTCWIAG-UHFFFAOYSA-N 1 0 261.394 2.829 50 0 CFAARO CC[NH+]1CCN(CC(=O)n2c(C)c(C)c3ccccc32)CC1 ZINC000020069534 372225001 /nfs/dbraw/zinc/22/50/01/372225001.db2.gz NIJPGAABFQONSW-UHFFFAOYSA-N 1 0 299.418 2.536 50 0 CFAARO CNC(=O)c1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000020093136 372230179 /nfs/dbraw/zinc/23/01/79/372230179.db2.gz OKYNIHQVKVWCCK-UHFFFAOYSA-N 1 0 260.381 2.859 50 0 CFAARO CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100467 372230460 /nfs/dbraw/zinc/23/04/60/372230460.db2.gz SRJRALRJICYRJW-CYBMUJFWSA-N 1 0 292.398 2.952 50 0 CFAARO C1=CC2(CC[NH+](CCCn3cncn3)CC2)c2ccccc21 ZINC000020210128 372235240 /nfs/dbraw/zinc/23/52/40/372235240.db2.gz ASGMIOJGRJUDME-UHFFFAOYSA-N 1 0 294.402 2.729 50 0 CFAARO C[C@H]1CN(CCOCCSc2ccccc2)C[C@H](C)O1 ZINC000020639247 372238894 /nfs/dbraw/zinc/23/88/94/372238894.db2.gz PUAYDDVQOHDRIZ-GJZGRUSLSA-N 1 0 295.448 2.905 50 0 CFAARO CN(Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCCC[N@@H+]1C ZINC000019782191 372186000 /nfs/dbraw/zinc/18/60/00/372186000.db2.gz QNLZXRSAUUDBRH-ZDUSSCGKSA-N 1 0 290.386 2.618 50 0 CFAARO CN1CC[NH+](CCCc2c3c(cc4c2CCC4)CCC3)CC1 ZINC000019802258 372190143 /nfs/dbraw/zinc/19/01/43/372190143.db2.gz UJBPEWZROYJELR-UHFFFAOYSA-N 1 0 298.474 2.844 50 0 CFAARO COCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000019881271 372201576 /nfs/dbraw/zinc/20/15/76/372201576.db2.gz ZKBLMBNMPPHMDE-VIFPVBQESA-N 1 0 258.159 2.746 50 0 CFAARO C[C@@H]([NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000019873345 372201793 /nfs/dbraw/zinc/20/17/93/372201793.db2.gz GQKUZACIJAQLEM-PWSUYJOCSA-N 1 0 253.317 2.793 50 0 CFAARO COCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019881281 372202553 /nfs/dbraw/zinc/20/25/53/372202553.db2.gz UAWNTOPHFQARPN-VIFPVBQESA-N 1 0 258.159 2.746 50 0 CFAARO Cc1cc(C)cc(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000019888930 372203581 /nfs/dbraw/zinc/20/35/81/372203581.db2.gz ZZYBUZMZIBEEOQ-HUUCEWRRSA-N 1 0 290.407 2.741 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccccc1 ZINC000025076112 372289114 /nfs/dbraw/zinc/28/91/14/372289114.db2.gz GAPUVRGWPSWGOP-OAHLLOKOSA-N 1 0 289.423 2.750 50 0 CFAARO CCOC(=O)[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000023281419 372255710 /nfs/dbraw/zinc/25/57/10/372255710.db2.gz PGDIEUCBOMCKAS-CQSZACIVSA-N 1 0 253.386 2.984 50 0 CFAARO CC(C)(C)c1ccccc1OCCCC[NH2+]CCO ZINC000023634051 372262543 /nfs/dbraw/zinc/26/25/43/372262543.db2.gz WGNCWOJHMWVJQU-UHFFFAOYSA-N 1 0 265.397 2.725 50 0 CFAARO C[NH+]1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000023623316 372262686 /nfs/dbraw/zinc/26/26/86/372262686.db2.gz MICLGHCQEMCZSF-UHFFFAOYSA-N 1 0 267.760 2.556 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC000025420247 372301646 /nfs/dbraw/zinc/30/16/46/372301646.db2.gz HNWMEYRANUDLRA-JKSUJKDBSA-N 1 0 272.392 2.762 50 0 CFAARO NC(=O)[C@@H]([NH2+]CCC1=CCCCC1)c1ccccc1 ZINC000026163005 372314562 /nfs/dbraw/zinc/31/45/62/372314562.db2.gz OHMHMCGCKUSLCZ-HNNXBMFYSA-N 1 0 258.365 2.693 50 0 CFAARO CC(C)C[C@H](C)[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000027138222 372335625 /nfs/dbraw/zinc/33/56/25/372335625.db2.gz BDNFHYBBGKTRGF-LBPRGKRZSA-N 1 0 273.380 2.790 50 0 CFAARO Cc1ccccc1C[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000027349068 372339500 /nfs/dbraw/zinc/33/95/00/372339500.db2.gz BRFWRDBIGNIHSS-UHFFFAOYSA-N 1 0 268.360 2.726 50 0 CFAARO Cc1cccc(OCC[N@@H+](C)Cc2ccc(C(N)=O)cc2)c1 ZINC000027374233 372341458 /nfs/dbraw/zinc/34/14/58/372341458.db2.gz OGYPVGGQGOBUCX-UHFFFAOYSA-N 1 0 298.386 2.605 50 0 CFAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CC=CCC1 ZINC000030318392 372392100 /nfs/dbraw/zinc/39/21/00/372392100.db2.gz OEPOKWPVJDSEQN-MRXNPFEDSA-N 1 0 284.403 2.517 50 0 CFAARO COc1cccc([C@@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000032110168 372428888 /nfs/dbraw/zinc/42/88/88/372428888.db2.gz MJTYNPILNLIVAJ-INIZCTEOSA-N 1 0 257.333 2.518 50 0 CFAARO CCC(CC)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000032537317 372443313 /nfs/dbraw/zinc/44/33/13/372443313.db2.gz VFNKGIUJSMNACF-OAHLLOKOSA-N 1 0 265.397 2.821 50 0 CFAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2ccccc2n1 ZINC000032752795 372460039 /nfs/dbraw/zinc/46/00/39/372460039.db2.gz WXJAZKMWEGLKTP-UHFFFAOYSA-N 1 0 295.386 2.591 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2C)CC[N@H+](C)[C@@H]1C ZINC000033865026 372502850 /nfs/dbraw/zinc/50/28/50/372502850.db2.gz AVJHHMSHPYWQSR-CJNGLKHVSA-N 1 0 261.365 2.868 50 0 CFAARO Cc1ccc(-n2nnnc2C2([NH2+]C(C)C)CCCC2)cc1 ZINC000035622469 372550521 /nfs/dbraw/zinc/55/05/21/372550521.db2.gz MRAOEDJNOJVHND-UHFFFAOYSA-N 1 0 285.395 2.738 50 0 CFAARO O[C@H](c1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000036075375 372556300 /nfs/dbraw/zinc/55/63/00/372556300.db2.gz BDVMVZADJRCUGK-LBPRGKRZSA-N 1 0 259.271 2.738 50 0 CFAARO Cc1ccc(C[N@@H+](C[C@@H](O)COC(C)(C)C)C(C)C)o1 ZINC000036097724 372558583 /nfs/dbraw/zinc/55/85/83/372558583.db2.gz MRJYILJYQBNSMW-CQSZACIVSA-N 1 0 283.412 2.974 50 0 CFAARO CN(Cc1cccnc1)c1cccc(Cl)c1C[NH3+] ZINC000036771543 372591352 /nfs/dbraw/zinc/59/13/52/372591352.db2.gz YNPNHZJWBXDKDB-UHFFFAOYSA-N 1 0 261.756 2.830 50 0 CFAARO C[C@H](Cc1cccs1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000037021036 372635239 /nfs/dbraw/zinc/63/52/39/372635239.db2.gz WBUJCBOUJCGIRH-IUODEOHRSA-N 1 0 288.416 2.885 50 0 CFAARO Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000037024059 372637906 /nfs/dbraw/zinc/63/79/06/372637906.db2.gz YAEZAILHLOWTJI-HNNXBMFYSA-N 1 0 255.365 2.896 50 0 CFAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(F)c1 ZINC000037024065 372637998 /nfs/dbraw/zinc/63/79/98/372637998.db2.gz QVYQSJCUPKBTMS-CQSZACIVSA-N 1 0 259.328 2.726 50 0 CFAARO O[C@H](C[NH2+]Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000037863654 372730115 /nfs/dbraw/zinc/73/01/15/372730115.db2.gz VSJFIUYQHPYCJP-OAHLLOKOSA-N 1 0 263.287 2.788 50 0 CFAARO C[C@H]([NH2+]CC(=O)N1CCCC1)c1cccc(Cl)c1 ZINC000037977718 372746310 /nfs/dbraw/zinc/74/63/10/372746310.db2.gz KJUUTGCCARMURB-NSHDSACASA-N 1 0 266.772 2.613 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000037989269 372751907 /nfs/dbraw/zinc/75/19/07/372751907.db2.gz FZPYDPDZZRYZDE-UHFFFAOYSA-N 1 0 285.269 2.907 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc1OC ZINC000038011195 372763688 /nfs/dbraw/zinc/76/36/88/372763688.db2.gz ORGIBQNDTSYZEL-SNVBAGLBSA-N 1 0 275.352 2.586 50 0 CFAARO CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000040834789 372793699 /nfs/dbraw/zinc/79/36/99/372793699.db2.gz QRYXSLDXVNFJTK-OAHLLOKOSA-N 1 0 291.395 2.593 50 0 CFAARO Fc1cccc(F)c1COCC[C@@H]1CCC[NH2+]C1 ZINC000042773957 372954084 /nfs/dbraw/zinc/95/40/84/372954084.db2.gz OEJVOHOGZOCOQR-NSHDSACASA-N 1 0 255.308 2.871 50 0 CFAARO C[C@@H](CNC(=O)c1cc2ccccc2o1)[NH+]1CCCC1 ZINC000042503919 372928310 /nfs/dbraw/zinc/92/83/10/372928310.db2.gz XOCBSKGWLSSGAA-LBPRGKRZSA-N 1 0 272.348 2.647 50 0 CFAARO Fc1cc(F)cc(COCC[C@H]2CCC[NH2+]C2)c1 ZINC000042774012 372953738 /nfs/dbraw/zinc/95/37/38/372953738.db2.gz NBQLFYSSSQYYBN-LLVKDONJSA-N 1 0 255.308 2.871 50 0 CFAARO COc1ccc(CC[C@H](C)[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000042969102 372968077 /nfs/dbraw/zinc/96/80/77/372968077.db2.gz OZBWKDNYLWENKI-HOCLYGCPSA-N 1 0 277.408 2.721 50 0 CFAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1Cl ZINC000046995124 373074197 /nfs/dbraw/zinc/07/41/97/373074197.db2.gz OORUSLNETMVRCS-ZIAGYGMSSA-N 1 0 278.783 2.697 50 0 CFAARO COc1ncccc1C[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000047390799 373090048 /nfs/dbraw/zinc/09/00/48/373090048.db2.gz WNWJWGWSVQABME-UHFFFAOYSA-N 1 0 298.346 2.672 50 0 CFAARO Cc1ccc2nc(C)c(C(=O)NC[C@H]3CCC[N@H+]3C)cc2c1 ZINC000048324867 373163029 /nfs/dbraw/zinc/16/30/29/373163029.db2.gz ZAMIVMHCSKYDOH-OAHLLOKOSA-N 1 0 297.402 2.676 50 0 CFAARO CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048345001 373167333 /nfs/dbraw/zinc/16/73/33/373167333.db2.gz FKBIFNWFIJVMKG-OKILXGFUSA-N 1 0 274.408 2.801 50 0 CFAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccoc2)cc1 ZINC000048815708 373225080 /nfs/dbraw/zinc/22/50/80/373225080.db2.gz BUVRKZVOBZIMEV-UHFFFAOYSA-N 1 0 283.331 2.968 50 0 CFAARO CSc1ccc(CNc2cc(C)[nH+]c(N)n2)cc1 ZINC000048962865 373241266 /nfs/dbraw/zinc/24/12/66/373241266.db2.gz BTHOFUAJTCHPHI-UHFFFAOYSA-N 1 0 260.366 2.701 50 0 CFAARO CCC[N@H+](CC(N)=O)[C@@H](C)c1cc2ccccc2o1 ZINC000049333510 373287921 /nfs/dbraw/zinc/28/79/21/373287921.db2.gz SROAXRPWERCEBY-NSHDSACASA-N 1 0 260.337 2.691 50 0 CFAARO CCC[N@H+](CC(N)=O)[C@H](C)c1cc2ccccc2o1 ZINC000049333513 373288648 /nfs/dbraw/zinc/28/86/48/373288648.db2.gz SROAXRPWERCEBY-LLVKDONJSA-N 1 0 260.337 2.691 50 0 CFAARO O[C@H](C[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000051401263 373395512 /nfs/dbraw/zinc/39/55/12/373395512.db2.gz ZDMRYJVCDPOXDH-GFCCVEGCSA-N 1 0 291.338 2.788 50 0 CFAARO COCCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000051560134 373401486 /nfs/dbraw/zinc/40/14/86/373401486.db2.gz PUNOODDLDKSOHP-AWEZNQCLSA-N 1 0 277.364 2.631 50 0 CFAARO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000052074515 373435256 /nfs/dbraw/zinc/43/52/56/373435256.db2.gz NKXANMOSDVCCMR-GFCCVEGCSA-N 1 0 274.339 2.717 50 0 CFAARO Cc1noc(C)c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000054992866 373532281 /nfs/dbraw/zinc/53/22/81/373532281.db2.gz IFASPWXUVNVHQD-UHFFFAOYSA-N 1 0 299.418 2.999 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c2ccccc12 ZINC000057159575 373581278 /nfs/dbraw/zinc/58/12/78/373581278.db2.gz ZSZQWRLYJPBRTM-OAHLLOKOSA-N 1 0 299.418 2.701 50 0 CFAARO O=C(NCCC[NH+]1CCCCCC1)c1ccc(F)cc1F ZINC000057288865 373584472 /nfs/dbraw/zinc/58/44/72/373584472.db2.gz VSHOWLFVOIIRMV-UHFFFAOYSA-N 1 0 296.361 2.961 50 0 CFAARO Cn1cc(C[NH2+]Cc2ccncc2)c2ccccc21 ZINC000057353195 373589231 /nfs/dbraw/zinc/58/92/31/373589231.db2.gz DLDJMLUEUAUWHB-UHFFFAOYSA-N 1 0 251.333 2.863 50 0 CFAARO C/C=C/CC(=O)N(CC[NH+](C)C)Cc1sccc1C ZINC000055119284 373542473 /nfs/dbraw/zinc/54/24/73/373542473.db2.gz KSBMDOZVLOJGQX-AATRIKPKSA-N 1 0 280.437 2.913 50 0 CFAARO Cc1ccsc1C[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000055385015 373548940 /nfs/dbraw/zinc/54/89/40/373548940.db2.gz XJGNTRBUFSRGQB-ZDUSSCGKSA-N 1 0 288.420 2.605 50 0 CFAARO C[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000057503260 373596141 /nfs/dbraw/zinc/59/61/41/373596141.db2.gz MHMVGYMCWQSOIW-NSHDSACASA-N 1 0 291.782 2.722 50 0 CFAARO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058434636 373659088 /nfs/dbraw/zinc/65/90/88/373659088.db2.gz BODCOICDKBLBEK-MRXNPFEDSA-N 1 0 284.359 2.560 50 0 CFAARO COc1cccc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1 ZINC000058155873 373626983 /nfs/dbraw/zinc/62/69/83/373626983.db2.gz LURQSPMBFJXRQJ-UHFFFAOYSA-N 1 0 298.386 2.904 50 0 CFAARO CCN(C(C)=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000058311724 373644617 /nfs/dbraw/zinc/64/46/17/373644617.db2.gz AQJCTIIATUSJFQ-XJKSGUPXSA-N 1 0 260.381 2.690 50 0 CFAARO CC[NH+](CC)CCn1cc(NC(=O)/C=C(/C)C2CC2)cn1 ZINC000058307031 373644849 /nfs/dbraw/zinc/64/48/49/373644849.db2.gz GQMZTOUVTKBXSH-RAXLEYEMSA-N 1 0 290.411 2.520 50 0 CFAARO c1ccc(CN2CCC([NH2+]Cc3ccncc3)CC2)cc1 ZINC000057755516 373610538 /nfs/dbraw/zinc/61/05/38/373610538.db2.gz PSWYABGKEQRYQM-UHFFFAOYSA-N 1 0 281.403 2.836 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2F)C1 ZINC000057881274 373616765 /nfs/dbraw/zinc/61/67/65/373616765.db2.gz GZEXWUJOIOJQMN-LLVKDONJSA-N 1 0 283.322 2.523 50 0 CFAARO Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000061430340 373718519 /nfs/dbraw/zinc/71/85/19/373718519.db2.gz JKYSENTVLRIELJ-UHFFFAOYSA-N 1 0 295.452 2.573 50 0 CFAARO Fc1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1F ZINC000060363248 373692724 /nfs/dbraw/zinc/69/27/24/373692724.db2.gz CCWFZBXQTGOWRN-LBPRGKRZSA-N 1 0 283.318 2.550 50 0 CFAARO CC1CCC([N@H+](C)CC(=O)NC2CCCC2)CC1 ZINC000060942424 373708600 /nfs/dbraw/zinc/70/86/00/373708600.db2.gz AFCNUBBZQGAMCO-UHFFFAOYSA-N 1 0 252.402 2.556 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1ccccc1 ZINC000062001325 373744013 /nfs/dbraw/zinc/74/40/13/373744013.db2.gz GSGZVMALTPALHZ-WBVHZDCISA-N 1 0 264.328 2.611 50 0 CFAARO COc1ccc([C@H](O)C[NH2+][C@H](C)Cc2ccccc2)cc1 ZINC000062186443 373754226 /nfs/dbraw/zinc/75/42/26/373754226.db2.gz ZZFSETOETUSBIT-RDTXWAMCSA-N 1 0 285.387 2.949 50 0 CFAARO C[N@@H+](Cc1cccn1-c1nccs1)C[C@H]1CCCCO1 ZINC000065496214 373879274 /nfs/dbraw/zinc/87/92/74/373879274.db2.gz KRNYZATUBJQHKX-CQSZACIVSA-N 1 0 291.420 2.935 50 0 CFAARO CC[C@@H](C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000065517416 373882084 /nfs/dbraw/zinc/88/20/84/373882084.db2.gz OWOJGFNOMYYRSV-CYBMUJFWSA-N 1 0 262.397 2.801 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000065525546 373882975 /nfs/dbraw/zinc/88/29/75/373882975.db2.gz MCKPFAGODNDEGW-LLVKDONJSA-N 1 0 291.370 2.753 50 0 CFAARO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccnc1 ZINC000065552864 373886682 /nfs/dbraw/zinc/88/66/82/373886682.db2.gz QVPIHOSIKRWBLH-HNNXBMFYSA-N 1 0 290.411 2.858 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cnc(C(C)(C)C)s1 ZINC000065575046 373890026 /nfs/dbraw/zinc/89/00/26/373890026.db2.gz FCLUBBLHZZCPGQ-UHFFFAOYSA-N 1 0 283.441 2.512 50 0 CFAARO CC(C)=CC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000065938790 373904135 /nfs/dbraw/zinc/90/41/35/373904135.db2.gz KESJGNKDMGXUFL-UHFFFAOYSA-N 1 0 296.361 2.821 50 0 CFAARO CC[NH+]1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000065622714 373896353 /nfs/dbraw/zinc/89/63/53/373896353.db2.gz JGWCYVXMTDZXGT-UHFFFAOYSA-N 1 0 289.354 2.618 50 0 CFAARO Cc1[nH+]c(N2CCCC2)nc(NCC[C@H]2CCOC2)c1C ZINC000065366236 373858910 /nfs/dbraw/zinc/85/89/10/373858910.db2.gz ZQDJYSMVUBGWGF-AWEZNQCLSA-N 1 0 290.411 2.532 50 0 CFAARO CCC(CC)[NH2+][C@H]1CCCN(Cc2cccnc2)C1 ZINC000065373182 373859235 /nfs/dbraw/zinc/85/92/35/373859235.db2.gz PRFLHOUPDZYTMI-INIZCTEOSA-N 1 0 261.413 2.824 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]Cc1nc(C)c2c(n1)CCCC2 ZINC000065382730 373862144 /nfs/dbraw/zinc/86/21/44/373862144.db2.gz BOFUUDKLPGRZRY-LBPRGKRZSA-N 1 0 291.439 2.957 50 0 CFAARO FCCC[N@H+]1CC=C(c2cnn(-c3ccccn3)c2)CC1 ZINC000065375784 373862257 /nfs/dbraw/zinc/86/22/57/373862257.db2.gz BIAJNXUAWYQVJF-UHFFFAOYSA-N 1 0 286.354 2.716 50 0 CFAARO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000065395416 373863848 /nfs/dbraw/zinc/86/38/48/373863848.db2.gz SIZUKBPZUGRNPC-AWEZNQCLSA-N 1 0 298.386 2.916 50 0 CFAARO CC(C)=Cc1c(-c2ccccc2)ncn1C[C@H]1C[NH2+]CCO1 ZINC000065387147 373864135 /nfs/dbraw/zinc/86/41/35/373864135.db2.gz PZIFHBDGWGMLDM-MRXNPFEDSA-N 1 0 297.402 2.962 50 0 CFAARO CC(=O)Nc1ccc(CN2CC[N@@H+](C(C)C)[C@H](C)C2)cc1 ZINC000065419477 373868845 /nfs/dbraw/zinc/86/88/45/373868845.db2.gz BBWGUIMMFKDRME-CQSZACIVSA-N 1 0 289.423 2.560 50 0 CFAARO COc1cccc(C[C@@H](C)[NH2+]CC2(CO)CCCC2)c1 ZINC000065408725 373869124 /nfs/dbraw/zinc/86/91/24/373869124.db2.gz KRQLWDYNCKTEDJ-CQSZACIVSA-N 1 0 277.408 2.769 50 0 CFAARO C[C@H](Cn1cncn1)[NH2+]Cc1ccc2sccc2c1 ZINC000065433853 373870268 /nfs/dbraw/zinc/87/02/68/373870268.db2.gz BIQWIOXDMGXPHX-LLVKDONJSA-N 1 0 272.377 2.671 50 0 CFAARO COc1ccc(OC)c([C@@H]2CC[N@@H+](C3CCOCC3)C2)c1 ZINC000065457484 373873328 /nfs/dbraw/zinc/87/33/28/373873328.db2.gz NIPCJJQCNQRGOI-CYBMUJFWSA-N 1 0 291.391 2.672 50 0 CFAARO CCc1cnc(C)nc1NCC[NH+]1CCCCCC1 ZINC000065435510 373873656 /nfs/dbraw/zinc/87/36/56/373873656.db2.gz BYSWFQNZODCTOD-UHFFFAOYSA-N 1 0 262.401 2.635 50 0 CFAARO C(=C/c1cccc(N2CC[NH2+]CC2)n1)\c1ccccc1 ZINC000067712983 373994893 /nfs/dbraw/zinc/99/48/93/373994893.db2.gz ANOGCGNGOIQIKU-MDZDMXLPSA-N 1 0 265.360 2.662 50 0 CFAARO OCC[N@@H+]1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067743436 373999383 /nfs/dbraw/zinc/99/93/83/373999383.db2.gz ONXUZLDUIHTNPA-UHFFFAOYSA-N 1 0 293.370 2.580 50 0 CFAARO C[N@@H+]1CCC[C@H](CNC(=O)CCCc2cccs2)C1 ZINC000067773633 374001894 /nfs/dbraw/zinc/00/18/94/374001894.db2.gz GIODROPYOVDZAT-CYBMUJFWSA-N 1 0 280.437 2.529 50 0 CFAARO CCCc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)on1 ZINC000067790056 374001923 /nfs/dbraw/zinc/00/19/23/374001923.db2.gz UCMPFPDNTBGITH-KRWDZBQOSA-N 1 0 299.418 2.991 50 0 CFAARO Cc1nc[nH]c1C[N@@H+]1CC[C@@](C)(O)[C@@H](Cc2ccccc2)C1 ZINC000067819865 374006375 /nfs/dbraw/zinc/00/63/75/374006375.db2.gz QYYUFFYCXSWNIX-FUHWJXTLSA-N 1 0 299.418 2.534 50 0 CFAARO CCc1ccccc1-c1cccc(N2CC[NH2+]CC2)n1 ZINC000067833807 374007029 /nfs/dbraw/zinc/00/70/29/374007029.db2.gz YINRIENHPCLCSI-UHFFFAOYSA-N 1 0 267.376 2.721 50 0 CFAARO CC(C)c1csc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000067850396 374009084 /nfs/dbraw/zinc/00/90/84/374009084.db2.gz QQRROMFPNQICNX-LBPRGKRZSA-N 1 0 295.452 2.728 50 0 CFAARO CCSC[C@@H](C)[NH2+]Cc1csc(-c2cnccn2)n1 ZINC000067908455 374014952 /nfs/dbraw/zinc/01/49/52/374014952.db2.gz HUJRFCHHNIHTJZ-SNVBAGLBSA-N 1 0 294.449 2.831 50 0 CFAARO CC(C)C[NH+]1CCC([NH2+]C[C@@H](C)Oc2cccnc2)CC1 ZINC000067975269 374017141 /nfs/dbraw/zinc/01/71/41/374017141.db2.gz UTMDCNHXFCRCAK-OAHLLOKOSA-N 1 0 291.439 2.559 50 0 CFAARO CC[C@H](c1ncnn1C)n1ccnc1-c1ccsc1 ZINC000067975385 374018467 /nfs/dbraw/zinc/01/84/67/374018467.db2.gz VPCUOLOJABODNW-LLVKDONJSA-N 1 0 273.365 2.740 50 0 CFAARO CC(C)c1csc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)n1 ZINC000067965624 374018559 /nfs/dbraw/zinc/01/85/59/374018559.db2.gz WEOZCSBOEJWETB-NWDGAFQWSA-N 1 0 293.436 2.575 50 0 CFAARO CCC[N@H+](C[C@H](O)COCc1cccs1)CC1CC1 ZINC000068045763 374020620 /nfs/dbraw/zinc/02/06/20/374020620.db2.gz CUHPWKOJKQRNHX-AWEZNQCLSA-N 1 0 283.437 2.748 50 0 CFAARO COc1ccc(F)cc1-c1cc2c(c(F)c1)O[C@H](C[NH3+])C2 ZINC000067542038 373982923 /nfs/dbraw/zinc/98/29/23/373982923.db2.gz MZRJRBKONFVLTJ-LBPRGKRZSA-N 1 0 291.297 2.903 50 0 CFAARO FC(F)(F)CC[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000067649859 373987297 /nfs/dbraw/zinc/98/72/97/373987297.db2.gz KYFZXHCXGSZBBK-LLVKDONJSA-N 1 0 261.291 2.548 50 0 CFAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ncoc2C(C)C)C1 ZINC000067674456 373989551 /nfs/dbraw/zinc/98/95/51/373989551.db2.gz GVYMHGNMQFPTSQ-CYBMUJFWSA-N 1 0 293.411 2.506 50 0 CFAARO Cc1ccsc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052732 374045367 /nfs/dbraw/zinc/04/53/67/374045367.db2.gz DQPQJOYBGYWKAU-UHFFFAOYSA-N 1 0 272.373 2.955 50 0 CFAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2C[C@H](O)c2ccccc2)c1 ZINC000069663380 374083535 /nfs/dbraw/zinc/08/35/35/374083535.db2.gz GSGHZOICZLKUNR-ROUUACIJSA-N 1 0 299.418 2.780 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2c(C)noc2C)c1 ZINC000069493102 374067612 /nfs/dbraw/zinc/06/76/12/374067612.db2.gz YFXMUPUDFJRLFP-JQWIXIFHSA-N 1 0 262.357 2.536 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000069571155 374074898 /nfs/dbraw/zinc/07/48/98/374074898.db2.gz SBPSTKIOKIZLLH-IRXDYDNUSA-N 1 0 297.402 2.867 50 0 CFAARO CCc1ccc(CC[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000069972135 374113760 /nfs/dbraw/zinc/11/37/60/374113760.db2.gz PINCFZGRRYTQBV-UHFFFAOYSA-N 1 0 284.407 2.720 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000070010999 374115189 /nfs/dbraw/zinc/11/51/89/374115189.db2.gz IZRUSOBGAIFWDV-JKSUJKDBSA-N 1 0 264.413 2.652 50 0 CFAARO Cc1nn(C)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000070006062 374115314 /nfs/dbraw/zinc/11/53/14/374115314.db2.gz IEQAXFAVKKCQSG-UHFFFAOYSA-N 1 0 263.772 2.714 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069709487 374089039 /nfs/dbraw/zinc/08/90/39/374089039.db2.gz WSMPWDFCLKOMTB-QWRGUYRKSA-N 1 0 282.771 2.632 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000069742467 374093539 /nfs/dbraw/zinc/09/35/39/374093539.db2.gz JEBAJKCGJLBGLD-GOSISDBHSA-N 1 0 298.434 2.992 50 0 CFAARO C[NH+](C)CCc1ccc(NC(=O)Nc2ccccn2)cc1 ZINC000069813043 374099576 /nfs/dbraw/zinc/09/95/76/374099576.db2.gz KNBOUAVDUDELDZ-UHFFFAOYSA-N 1 0 284.363 2.830 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1F ZINC000069810856 374100735 /nfs/dbraw/zinc/10/07/35/374100735.db2.gz XHIOEHOJOFSENV-HZPDHXFCSA-N 1 0 290.382 2.833 50 0 CFAARO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCOCO1 ZINC000069847422 374104083 /nfs/dbraw/zinc/10/40/83/374104083.db2.gz AJKISJYRIIHLHJ-VIFPVBQESA-N 1 0 261.774 2.596 50 0 CFAARO CC[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CCOC ZINC000069844779 374104244 /nfs/dbraw/zinc/10/42/44/374104244.db2.gz NGAMXVKBFHKAJE-GOSISDBHSA-N 1 0 290.451 2.662 50 0 CFAARO c1cnn(C[C@@H]2CCC[N@H+]2CCc2cccs2)c1 ZINC000069878412 374107812 /nfs/dbraw/zinc/10/78/12/374107812.db2.gz BXIXGWRGPWAQOT-ZDUSSCGKSA-N 1 0 261.394 2.652 50 0 CFAARO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCCCOC)C1 ZINC000069920563 374108805 /nfs/dbraw/zinc/10/88/05/374108805.db2.gz ISOYCHFYZSCXPK-HOTGVXAUSA-N 1 0 298.471 2.820 50 0 CFAARO c1cnn(CC[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000069920715 374108941 /nfs/dbraw/zinc/10/89/41/374108941.db2.gz NGEFWLGEJFZPJE-UHFFFAOYSA-N 1 0 290.417 2.858 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000070173298 374140260 /nfs/dbraw/zinc/14/02/60/374140260.db2.gz SVFJZWYZKHWUCV-VNCGOTGNSA-N 1 0 292.810 2.939 50 0 CFAARO Cc1ccccc1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000070463080 374183129 /nfs/dbraw/zinc/18/31/29/374183129.db2.gz PDHBKLHNVMLWST-UHFFFAOYSA-N 1 0 261.369 2.588 50 0 CFAARO Cc1cc(C)cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000070252034 374153221 /nfs/dbraw/zinc/15/32/21/374153221.db2.gz ALTHZMMQMYXMQG-CQSZACIVSA-N 1 0 258.365 2.632 50 0 CFAARO CCO[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000071915709 374232087 /nfs/dbraw/zinc/23/20/87/374232087.db2.gz OANBSOKSFGKUKX-OAHLLOKOSA-N 1 0 286.375 2.529 50 0 CFAARO O=c1[nH]cccc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071763432 374220847 /nfs/dbraw/zinc/22/08/47/374220847.db2.gz JCXIKLNGTNQUTI-HNNXBMFYSA-N 1 0 298.386 2.822 50 0 CFAARO CC[N@@H+]1CCC[C@@H](c2nccn2-c2ccc3c[nH]nc3c2)C1 ZINC000071762340 374221167 /nfs/dbraw/zinc/22/11/67/374221167.db2.gz ZJFOTERVNAXQGN-CQSZACIVSA-N 1 0 295.390 2.948 50 0 CFAARO CC[C@@](OC(C)=O)(c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000071772243 374223627 /nfs/dbraw/zinc/22/36/27/374223627.db2.gz JGSQNSNIRULOTK-HZPDHXFCSA-N 1 0 261.365 2.807 50 0 CFAARO c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CCCc3ccccc31)CN2 ZINC000071888629 374230148 /nfs/dbraw/zinc/23/01/48/374230148.db2.gz BMBDRJIHQBHWCS-XJKSGUPXSA-N 1 0 282.391 2.592 50 0 CFAARO C1=CC[C@H](C[N@@H+]2CCCN(Cc3ccncc3)CC2)CC1 ZINC000072428107 374251238 /nfs/dbraw/zinc/25/12/38/374251238.db2.gz GGTOXXREXJINNM-KRWDZBQOSA-N 1 0 285.435 2.946 50 0 CFAARO Cc1nccc(-c2cccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)c2)n1 ZINC000072476066 374254937 /nfs/dbraw/zinc/25/49/37/374254937.db2.gz MQBHTZXYWWISFH-UONOGXRCSA-N 1 0 296.374 2.518 50 0 CFAARO c1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)on1 ZINC000072716240 374280597 /nfs/dbraw/zinc/28/05/97/374280597.db2.gz FBYQYALWTWCLSN-ZDUSSCGKSA-N 1 0 250.342 2.598 50 0 CFAARO Cc1cccnc1N1CC[NH+](CC2CCCC2)CC1 ZINC000072146240 374234571 /nfs/dbraw/zinc/23/45/71/374234571.db2.gz CVIKTIHZZYESAE-UHFFFAOYSA-N 1 0 259.397 2.702 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cnc(C)cn2)n1 ZINC000072253293 374237639 /nfs/dbraw/zinc/23/76/39/374237639.db2.gz YIUSGYYVCJDQDY-QGZVFWFLSA-N 1 0 299.422 2.653 50 0 CFAARO COc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000072269775 374237796 /nfs/dbraw/zinc/23/77/96/374237796.db2.gz XETBRLHWSBCNLN-RYUDHWBXSA-N 1 0 277.343 2.770 50 0 CFAARO C[C@H](C[S@@](C)=O)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC000249251262 189959899 /nfs/dbraw/zinc/95/98/99/189959899.db2.gz BYKVKTSWYLABTG-WVQJBOLRSA-N 1 0 273.829 2.800 50 0 CFAARO O=c1cc(C[NH+]2CCC(c3ccccc3)CC2)occ1O ZINC000074331586 374415169 /nfs/dbraw/zinc/41/51/69/374415169.db2.gz ZACFQPMGASIFCH-UHFFFAOYSA-N 1 0 285.343 2.725 50 0 CFAARO CC[N@@H+](Cc1cccnc1)C[C@@H](O)c1ccc(C)cc1 ZINC000076015782 374520355 /nfs/dbraw/zinc/52/03/55/374520355.db2.gz KJKONMDQDZUKQY-QGZVFWFLSA-N 1 0 270.376 2.946 50 0 CFAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCc2ccco2)C1 ZINC000076068834 374528917 /nfs/dbraw/zinc/52/89/17/374528917.db2.gz DSYZUKPBTYFZLS-GXTWGEPZSA-N 1 0 296.436 2.502 50 0 CFAARO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2cncn2)o1 ZINC000076145200 374535315 /nfs/dbraw/zinc/53/53/15/374535315.db2.gz ZZMOXGTWEAPLSJ-HIFRSBDPSA-N 1 0 288.395 2.907 50 0 CFAARO CS[C@H]1CCC[C@@H]1[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000076146646 374538383 /nfs/dbraw/zinc/53/83/83/374538383.db2.gz XKCGMGUBELMIQY-RYUDHWBXSA-N 1 0 297.424 2.528 50 0 CFAARO CC[C@H]1COCCN1Cc1ccc(C[NH+]2CCCC2)s1 ZINC000077439786 374561625 /nfs/dbraw/zinc/56/16/25/374561625.db2.gz MZKGAWNZSQMGSI-AWEZNQCLSA-N 1 0 294.464 2.955 50 0 CFAARO CCc1cnc(CN(C)[C@H]2CC[N@H+](CC3CCC3)C2)o1 ZINC000078892019 374572550 /nfs/dbraw/zinc/57/25/50/374572550.db2.gz KZWVKONKSLDTLF-AWEZNQCLSA-N 1 0 277.412 2.543 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000078552986 374568696 /nfs/dbraw/zinc/56/86/96/374568696.db2.gz UMFCHFGVXDEKTJ-YOEHRIQHSA-N 1 0 284.407 2.643 50 0 CFAARO C[NH+](C)CCn1ccc(NCc2cc3ccccc3o2)n1 ZINC000079093396 374594803 /nfs/dbraw/zinc/59/48/03/374594803.db2.gz LEIQPPIQYSGZSN-UHFFFAOYSA-N 1 0 284.363 2.803 50 0 CFAARO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(OC)cc1C ZINC000079028771 374584717 /nfs/dbraw/zinc/58/47/17/374584717.db2.gz PLJOZRSTNRVQAX-ZDUSSCGKSA-N 1 0 293.411 2.855 50 0 CFAARO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)[NH3+] ZINC000079420286 374609961 /nfs/dbraw/zinc/60/99/61/374609961.db2.gz SWXXMSKKFNCQJY-QMMMGPOBSA-N 1 0 275.179 2.689 50 0 CFAARO Cc1ncc(C[NH2+][C@H]2CCC[C@@]2(C)CO)n1-c1ccccc1 ZINC000084048213 374761319 /nfs/dbraw/zinc/76/13/19/374761319.db2.gz MHDUTSXATREFOA-ROUUACIJSA-N 1 0 299.418 2.821 50 0 CFAARO [NH3+]Cc1ccc(C(F)(F)F)c(Br)c1 ZINC000081991204 374724441 /nfs/dbraw/zinc/72/44/41/374724441.db2.gz PVIZLIZHGMUBAZ-UHFFFAOYSA-N 1 0 254.049 2.927 50 0 CFAARO C[NH+](C)[C@H]1CCCCN(Cc2cccc(-n3cccn3)c2)C1 ZINC000082108598 374726146 /nfs/dbraw/zinc/72/61/46/374726146.db2.gz MUPGLSYMBLNGOL-SFHVURJKSA-N 1 0 298.434 2.788 50 0 CFAARO COCC[NH2+]Cc1cc(Cl)ccc1Br ZINC000085219858 374798402 /nfs/dbraw/zinc/79/84/02/374798402.db2.gz BYRJORDNVAQEKU-UHFFFAOYSA-N 1 0 278.577 2.839 50 0 CFAARO O=C(C1CCC1)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000085473280 374802511 /nfs/dbraw/zinc/80/25/11/374802511.db2.gz YVHUBHSLBOBEFB-HNNXBMFYSA-N 1 0 296.480 2.607 50 0 CFAARO Cc1cc(N)nc(NCCc2c[nH]c3ccccc23)[nH+]1 ZINC000084644190 374785262 /nfs/dbraw/zinc/78/52/62/374785262.db2.gz SOWVVQCHPBVCQO-UHFFFAOYSA-N 1 0 267.336 2.503 50 0 CFAARO CCn1cc(C[NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)cn1 ZINC000088745144 374860733 /nfs/dbraw/zinc/86/07/33/374860733.db2.gz VVMCGBRUSKBLCD-WMZOPIPTSA-N 1 0 281.403 2.897 50 0 CFAARO COc1ccc(OC)c(C[NH2+]CCc2nc(C)oc2C)c1 ZINC000089548028 374921473 /nfs/dbraw/zinc/92/14/73/374921473.db2.gz SBMLROKPOSSELF-UHFFFAOYSA-N 1 0 290.363 2.641 50 0 CFAARO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2)c(C)n1 ZINC000089614928 374930347 /nfs/dbraw/zinc/93/03/47/374930347.db2.gz IEPBTOKNMOPYOC-WCQYABFASA-N 1 0 298.390 2.771 50 0 CFAARO Cc1ccc(NC(=O)CC[NH2+][C@H]2CCO[C@@H]2C)c(Cl)c1 ZINC000089669810 374937268 /nfs/dbraw/zinc/93/72/68/374937268.db2.gz OONBXFUBVRSSGW-YPMHNXCESA-N 1 0 296.798 2.744 50 0 CFAARO Cc1cccc2nc(C[N@@H+](C)[C@H]3CCSC3)cn21 ZINC000089936544 374970000 /nfs/dbraw/zinc/97/00/00/374970000.db2.gz AYGUSWBJPQWXDL-ZDUSSCGKSA-N 1 0 261.394 2.580 50 0 CFAARO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732284 374942677 /nfs/dbraw/zinc/94/26/77/374942677.db2.gz QFAFXPKXIWHURV-RDJZCZTQSA-N 1 0 294.402 2.723 50 0 CFAARO C(C1CC1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000089819272 374957821 /nfs/dbraw/zinc/95/78/21/374957821.db2.gz ZCYQXAKHDBGLRJ-AWEZNQCLSA-N 1 0 274.412 2.594 50 0 CFAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ncc[nH]1 ZINC000089930203 374971038 /nfs/dbraw/zinc/97/10/38/374971038.db2.gz SXFNDTUCIGICGY-HUUCEWRRSA-N 1 0 298.434 2.656 50 0 CFAARO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000089894492 374965395 /nfs/dbraw/zinc/96/53/95/374965395.db2.gz CTKWVVYDDQWUAG-JTQLQIEISA-N 1 0 292.379 2.908 50 0 CFAARO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000089948960 374974733 /nfs/dbraw/zinc/97/47/33/374974733.db2.gz PQCOJTULFLTGJK-WCQYABFASA-N 1 0 284.787 2.670 50 0 CFAARO CS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010646 374986999 /nfs/dbraw/zinc/98/69/99/374986999.db2.gz VDAOQEKEGSIWKW-MRXNPFEDSA-N 1 0 295.448 2.518 50 0 CFAARO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2sccc2C)C1 ZINC000090411746 375013706 /nfs/dbraw/zinc/01/37/06/375013706.db2.gz HUUZELUZOSVQSX-NEPJUHHUSA-N 1 0 281.425 2.511 50 0 CFAARO [NH3+][C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)C[C@@H]1C1CC1 ZINC000091847428 375066967 /nfs/dbraw/zinc/06/69/67/375066967.db2.gz PCAZTQBOSXWKKS-SJORKVTESA-N 1 0 298.430 2.694 50 0 CFAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000092660926 375137005 /nfs/dbraw/zinc/13/70/05/375137005.db2.gz JQAKBPLXMVXSCS-HNNXBMFYSA-N 1 0 271.364 2.625 50 0 CFAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccnc2)cc1 ZINC000092740220 375147472 /nfs/dbraw/zinc/14/74/72/375147472.db2.gz PZZNJZGAADRDCA-CJNGLKHVSA-N 1 0 256.349 2.774 50 0 CFAARO CC1CCC(C[NH+]2CCN(CC(F)F)CC2)CC1 ZINC000092586831 375126856 /nfs/dbraw/zinc/12/68/56/375126856.db2.gz GLKIGVWDOLDCEA-UHFFFAOYSA-N 1 0 260.372 2.695 50 0 CFAARO CN(CCc1cccs1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000093289432 375204243 /nfs/dbraw/zinc/20/42/43/375204243.db2.gz WTSSQRQHCIHIQV-HNNXBMFYSA-N 1 0 288.416 2.839 50 0 CFAARO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322565 375209657 /nfs/dbraw/zinc/20/96/57/375209657.db2.gz XZSCDPMBMFSXDX-CABCVRRESA-N 1 0 279.428 2.764 50 0 CFAARO CC(C)[N@@H+](Cc1cc(C(N)=O)cs1)C[C@@H]1C[C@@H]1C ZINC000093661803 375291172 /nfs/dbraw/zinc/29/11/72/375291172.db2.gz XSTWVHVXNNCXSE-QWRGUYRKSA-N 1 0 266.410 2.713 50 0 CFAARO CCn1cc(C[N@H+](C)[C@H]2CCC[C@@H]2SC)cn1 ZINC000093869488 375326179 /nfs/dbraw/zinc/32/61/79/375326179.db2.gz OBZYOCOVFBWAQX-STQMWFEESA-N 1 0 253.415 2.619 50 0 CFAARO C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H]1CCOC1 ZINC000093839899 375319436 /nfs/dbraw/zinc/31/94/36/375319436.db2.gz XQLWIGUHQOZIGO-AWEZNQCLSA-N 1 0 275.392 2.868 50 0 CFAARO CSC[C@@H](C)[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000093558131 375265987 /nfs/dbraw/zinc/26/59/87/375265987.db2.gz LVTZPYHXQXDJHP-LLVKDONJSA-N 1 0 266.410 2.828 50 0 CFAARO Cn1cc(CNc2cccc(CC[NH+]3CCCC3)c2)cn1 ZINC000094014961 375335560 /nfs/dbraw/zinc/33/55/60/375335560.db2.gz OQOXMBFPRCCRGH-UHFFFAOYSA-N 1 0 284.407 2.671 50 0 CFAARO COc1ccccc1C[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000095463560 375458298 /nfs/dbraw/zinc/45/82/98/375458298.db2.gz QPBBXJTULRJMLD-CQSZACIVSA-N 1 0 277.408 2.974 50 0 CFAARO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000095988225 375464994 /nfs/dbraw/zinc/46/49/94/375464994.db2.gz YCTWZOQCTDRTSM-BXUZGUMPSA-N 1 0 266.360 2.668 50 0 CFAARO CSCc1noc(C2CC[NH+](Cc3ccco3)CC2)n1 ZINC000096137824 375469773 /nfs/dbraw/zinc/46/97/73/375469773.db2.gz VKXYDRCWBCRPLB-UHFFFAOYSA-N 1 0 293.392 2.905 50 0 CFAARO Cc1nc(C)c(CNC(=O)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000095362387 375421533 /nfs/dbraw/zinc/42/15/33/375421533.db2.gz BNJFJOOFCCGLES-CYBMUJFWSA-N 1 0 295.452 2.641 50 0 CFAARO Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000095367002 375421547 /nfs/dbraw/zinc/42/15/47/375421547.db2.gz GGBPPQBFTWLONI-CYBMUJFWSA-N 1 0 288.420 2.923 50 0 CFAARO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095374112 375423616 /nfs/dbraw/zinc/42/36/16/375423616.db2.gz AAADDTUHLKYSNB-SJLPKXTDSA-N 1 0 298.430 2.910 50 0 CFAARO CC(C)c1cc(N2C[C@@H]3CCC[C@@H](C3)C2)nc(N)[nH+]1 ZINC000095378153 375425034 /nfs/dbraw/zinc/42/50/34/375425034.db2.gz UFIROYRUDZBBLU-TXEJJXNPSA-N 1 0 260.385 2.809 50 0 CFAARO Cc1c2ccccc2oc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000095379670 375425649 /nfs/dbraw/zinc/42/56/49/375425649.db2.gz SABONCZAZOWXQW-CYBMUJFWSA-N 1 0 296.374 2.848 50 0 CFAARO Cc1cc(C)c2c(ncnc2NCCC[NH+]2CCCC2)n1 ZINC000095381185 375426659 /nfs/dbraw/zinc/42/66/59/375426659.db2.gz KRNYWTUFQZNQEW-UHFFFAOYSA-N 1 0 285.395 2.539 50 0 CFAARO CCSCCNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000095391145 375429212 /nfs/dbraw/zinc/42/92/12/375429212.db2.gz FXQHSQXVPXTLDE-OAHLLOKOSA-N 1 0 292.448 2.637 50 0 CFAARO C[N@H+](CCCO)[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000095395802 375430295 /nfs/dbraw/zinc/43/02/95/375430295.db2.gz SZCKGDYJBIZFSG-INIZCTEOSA-N 1 0 274.339 2.624 50 0 CFAARO CC(C)c1nsc(NC[C@H](c2cccnc2)[NH+](C)C)n1 ZINC000095408670 375434474 /nfs/dbraw/zinc/43/44/74/375434474.db2.gz JOPKZSPCEXSZSV-GFCCVEGCSA-N 1 0 291.424 2.771 50 0 CFAARO C[C@@H](CCn1cncn1)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415539 375437228 /nfs/dbraw/zinc/43/72/28/375437228.db2.gz XRAKOPMSRZVSQW-NSHDSACASA-N 1 0 291.424 2.571 50 0 CFAARO CCc1ccc(C[NH2+]C[C@H](CO)c2ccccc2)o1 ZINC000095415538 375437320 /nfs/dbraw/zinc/43/73/20/375437320.db2.gz LFSQVJALOMUINI-CQSZACIVSA-N 1 0 259.349 2.708 50 0 CFAARO CC[C@@](CO)([NH2+]Cc1ccc(C)cn1)c1ccccc1 ZINC000095416680 375437732 /nfs/dbraw/zinc/43/77/32/375437732.db2.gz FDPOHZOSBGOTSD-KRWDZBQOSA-N 1 0 270.376 2.777 50 0 CFAARO COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000095419756 375439343 /nfs/dbraw/zinc/43/93/43/375439343.db2.gz KGRNMMCLMKNCSO-CHWSQXEVSA-N 1 0 292.423 2.692 50 0 CFAARO COCC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000095419197 375439617 /nfs/dbraw/zinc/43/96/17/375439617.db2.gz LTHFHZYUQAOBLO-MRVPVSSYSA-N 1 0 276.149 2.885 50 0 CFAARO CC[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095422429 375440457 /nfs/dbraw/zinc/44/04/57/375440457.db2.gz WRMHKQSBGPNDJG-DZGCQCFKSA-N 1 0 273.380 2.928 50 0 CFAARO COc1ccc([C@H](C)[NH2+]CCCc2cnn(C)c2)cc1F ZINC000095421664 375440623 /nfs/dbraw/zinc/44/06/23/375440623.db2.gz RBLJLYUXADLZSC-LBPRGKRZSA-N 1 0 291.370 2.851 50 0 CFAARO Cc1cccc([C@H](C)C[NH2+][C@@H](C)CCn2cncn2)c1 ZINC000095423085 375441774 /nfs/dbraw/zinc/44/17/74/375441774.db2.gz BZVDIAQLQZVTAA-CABCVRRESA-N 1 0 272.396 2.758 50 0 CFAARO O=C(C1CCCC1)N1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000095423907 375442843 /nfs/dbraw/zinc/44/28/43/375442843.db2.gz JXKLSECECVRPPP-OAHLLOKOSA-N 1 0 276.424 2.556 50 0 CFAARO C[NH+](C)CCSc1nc(C(F)(F)F)cs1 ZINC000095428505 375444177 /nfs/dbraw/zinc/44/41/77/375444177.db2.gz IMMBTPWXYWTRKM-UHFFFAOYSA-N 1 0 256.318 2.816 50 0 CFAARO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@]1(CCO)CCOC1 ZINC000095441229 375451327 /nfs/dbraw/zinc/45/13/27/375451327.db2.gz HTAHJRYLEHELIV-INIZCTEOSA-N 1 0 297.826 2.836 50 0 CFAARO CC(C)[NH+](CCS[C@H]1C[C@@H](C)OC1=O)C(C)C ZINC000095446291 375452205 /nfs/dbraw/zinc/45/22/05/375452205.db2.gz RQMFWISIPBDQLD-NEPJUHHUSA-N 1 0 259.415 2.542 50 0 CFAARO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]Cc1cscn1 ZINC000095448867 375453296 /nfs/dbraw/zinc/45/32/96/375453296.db2.gz DRSJEVNADALRGC-IINYFYTJSA-N 1 0 280.368 2.884 50 0 CFAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccn(C)n1 ZINC000095451568 375455314 /nfs/dbraw/zinc/45/53/14/375455314.db2.gz HUHXIBOZASTYBD-INIZCTEOSA-N 1 0 285.391 2.636 50 0 CFAARO CCOCc1ccc(C[NH2+]Cc2c(C)n[nH]c2C)cc1 ZINC000097159359 375532951 /nfs/dbraw/zinc/53/29/51/375532951.db2.gz MPZUKGGUZFIPKA-UHFFFAOYSA-N 1 0 273.380 2.853 50 0 CFAARO Cc1nn(CCO)c(C)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000097159718 375533073 /nfs/dbraw/zinc/53/30/73/375533073.db2.gz SXOBEAQOFPEPGK-GOSISDBHSA-N 1 0 299.418 2.659 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1cccc(Cn2ccnc2C)c1 ZINC000097159357 375533613 /nfs/dbraw/zinc/53/36/13/375533613.db2.gz AWYSVJRJCRTAGO-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@H]1CCCc2ccccc21 ZINC000097159473 375534319 /nfs/dbraw/zinc/53/43/19/375534319.db2.gz NKEKLYCPPJBSMA-CQSZACIVSA-N 1 0 255.365 2.928 50 0 CFAARO CCn1cc(C2CC[NH+](Cc3c(C)noc3C)CC2)cn1 ZINC000097203190 375539520 /nfs/dbraw/zinc/53/95/20/375539520.db2.gz IMHSTPWGLAJHPW-UHFFFAOYSA-N 1 0 288.395 2.887 50 0 CFAARO CC(=O)N[C@@H]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)C1 ZINC000096501981 375488679 /nfs/dbraw/zinc/48/86/79/375488679.db2.gz GSWVOWDTIOWZTL-OAHLLOKOSA-N 1 0 297.402 2.957 50 0 CFAARO COC1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CCOCC1 ZINC000097033433 375496491 /nfs/dbraw/zinc/49/64/91/375496491.db2.gz WTKTVSJMKOUNSV-INIZCTEOSA-N 1 0 293.382 2.988 50 0 CFAARO FC(F)COc1cc(C[NH2+][C@@H]2CCCSC2)ccn1 ZINC000097084674 375512217 /nfs/dbraw/zinc/51/22/17/375512217.db2.gz JFMHPIZWRHLURQ-LLVKDONJSA-N 1 0 288.363 2.711 50 0 CFAARO CSC[C@](C)(O)C[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000097084830 375512244 /nfs/dbraw/zinc/51/22/44/375512244.db2.gz CPOHOLJBLVPSTB-PESDSKBTSA-N 1 0 283.412 2.775 50 0 CFAARO O=C(CC1CCCCC1)NCC[NH2+][C@H]1CCCSC1 ZINC000097084604 375512302 /nfs/dbraw/zinc/51/23/02/375512302.db2.gz SDSOSLXXWSNXSM-AWEZNQCLSA-N 1 0 284.469 2.558 50 0 CFAARO Cc1csc(=O)n1CC[NH2+][C@H]1CCCCC1(C)C ZINC000097099886 375517160 /nfs/dbraw/zinc/51/71/60/375517160.db2.gz SJEBBOPZVFFSGE-LBPRGKRZSA-N 1 0 268.426 2.777 50 0 CFAARO Cc1cc([C@H](C)[NH2+]C[C@@H](C)CS(C)(=O)=O)c(C)s1 ZINC000097109671 375521251 /nfs/dbraw/zinc/52/12/51/375521251.db2.gz QBKMUHRFOFFAOP-KOLCDFICSA-N 1 0 289.466 2.696 50 0 CFAARO CC(C)[NH+]1CCC(Nc2cccc(CCCO)c2)CC1 ZINC000097238355 375545100 /nfs/dbraw/zinc/54/51/00/375545100.db2.gz ABRBVMGYCCMINX-UHFFFAOYSA-N 1 0 276.424 2.896 50 0 CFAARO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000097141576 375528497 /nfs/dbraw/zinc/52/84/97/375528497.db2.gz IDVFDBRLLWXNQP-RYUDHWBXSA-N 1 0 277.261 2.886 50 0 CFAARO Cc1cc([C@@H]2CCCN2Cc2cccc3nonc32)no1 ZINC000097823264 375585598 /nfs/dbraw/zinc/58/55/98/375585598.db2.gz YTSAHRFSORADGH-AWEZNQCLSA-N 1 0 284.319 2.856 50 0 CFAARO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1ccc2ccccc2c1 ZINC000097294721 375548079 /nfs/dbraw/zinc/54/80/79/375548079.db2.gz SSNWLNRPAWTDTB-ZFWWWQNUSA-N 1 0 287.338 2.661 50 0 CFAARO CNc1cc(C)nc(-c2ccccc2C[NH+](C)C)n1 ZINC000097324041 375550486 /nfs/dbraw/zinc/55/04/86/375550486.db2.gz QZXVMQDGBFWYAX-UHFFFAOYSA-N 1 0 256.353 2.555 50 0 CFAARO O[C@]1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CCSC1 ZINC000097371085 375551502 /nfs/dbraw/zinc/55/15/02/375551502.db2.gz BKAWERDWADNWLY-ZALBZXLWSA-N 1 0 281.396 2.529 50 0 CFAARO CCn1nccc1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000097378282 375557184 /nfs/dbraw/zinc/55/71/84/375557184.db2.gz HTIHBARCQSNPHE-OAHLLOKOSA-N 1 0 293.798 2.554 50 0 CFAARO CCn1cc(C[N@H+](CC)CCc2nc3ccccc3[nH]2)cn1 ZINC000097436870 375560480 /nfs/dbraw/zinc/56/04/80/375560480.db2.gz JHZNZIJFBLRDTC-UHFFFAOYSA-N 1 0 297.406 2.844 50 0 CFAARO C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000102530805 375678434 /nfs/dbraw/zinc/67/84/34/375678434.db2.gz ZTFTWPABVCSKJG-HZSPNIEDSA-N 1 0 260.381 2.992 50 0 CFAARO CC[C@@H](C)COC[n+]1ccn(CCOc2ccccc2)c1 ZINC000261492914 190039299 /nfs/dbraw/zinc/03/92/99/190039299.db2.gz NJNIKWNBJYKAAL-MRXNPFEDSA-N 1 0 289.399 2.875 50 0 CFAARO Brc1ccc(CCC[NH+]2CCOCC2)cc1 ZINC000113810842 376036913 /nfs/dbraw/zinc/03/69/13/376036913.db2.gz YBXJERIHXIDLHI-UHFFFAOYSA-N 1 0 284.197 2.714 50 0 CFAARO Cc1cc(Cl)ccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000129932930 377489744 /nfs/dbraw/zinc/48/97/44/377489744.db2.gz YAIQPZXCMCRKKV-ZDUSSCGKSA-N 1 0 271.813 2.606 50 0 CFAARO CSC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000131586104 377733884 /nfs/dbraw/zinc/73/38/84/377733884.db2.gz XTZZDGAGSLXOLZ-VHSXEESVSA-N 1 0 253.367 2.817 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)CCc2ccccc2F)C1 ZINC000133143570 377908229 /nfs/dbraw/zinc/90/82/29/377908229.db2.gz DBRWICTUWIJLGZ-ZFWWWQNUSA-N 1 0 292.398 2.605 50 0 CFAARO COc1cccc(Cl)c1C[NH2+][C@@H]1CCCOC1 ZINC000134784515 378049344 /nfs/dbraw/zinc/04/93/44/378049344.db2.gz WCPCDFDHZVFQDO-SNVBAGLBSA-N 1 0 255.745 2.617 50 0 CFAARO Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000136832002 378210799 /nfs/dbraw/zinc/21/07/99/378210799.db2.gz RXNWDGOQBSECFP-OLZOCXBDSA-N 1 0 251.345 2.727 50 0 CFAARO O[C@@H](CN1CCC[N@@H+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000145715595 378250510 /nfs/dbraw/zinc/25/05/10/378250510.db2.gz OUQCGNWQPNRZLX-INIZCTEOSA-N 1 0 294.826 2.544 50 0 CFAARO CC(C)C[C@H](C[NH3+])NC(=O)c1csc(-c2ccoc2)n1 ZINC000155574131 378629486 /nfs/dbraw/zinc/62/94/86/378629486.db2.gz HJQLBNIWXRXDJP-LLVKDONJSA-N 1 0 293.392 2.506 50 0 CFAARO C[NH+](C)C1CCN(c2ccc(C(F)(F)F)nc2)CC1 ZINC000169725759 379109417 /nfs/dbraw/zinc/10/94/17/379109417.db2.gz SFIAUVWESKZPND-UHFFFAOYSA-N 1 0 273.302 2.631 50 0 CFAARO CC(C)N(C)c1ccc(CN(C)Cc2cccnc2)cn1 ZINC000170611887 379128707 /nfs/dbraw/zinc/12/87/07/379128707.db2.gz BEJGKIQFJFOGJG-UHFFFAOYSA-N 1 0 284.407 2.953 50 0 CFAARO CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2ccncc2)CC1 ZINC000170613606 379129392 /nfs/dbraw/zinc/12/93/92/379129392.db2.gz BGGPPKQGBALTQO-CQSZACIVSA-N 1 0 289.423 2.518 50 0 CFAARO C[NH+]1CCC(C(=O)N2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000335487494 379387286 /nfs/dbraw/zinc/38/72/86/379387286.db2.gz MCUUZHBFHYPNET-LLVKDONJSA-N 1 0 292.345 2.519 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)c2ccccc2C)C1 ZINC000178337737 380438821 /nfs/dbraw/zinc/43/88/21/380438821.db2.gz VPTHEMAFQHUEFQ-HNNXBMFYSA-N 1 0 288.435 2.731 50 0 CFAARO Cc1[nH+]c2ccccc2c(N2CC[C@H](CC(N)=O)C2)c1C ZINC000367927236 380857748 /nfs/dbraw/zinc/85/77/48/380857748.db2.gz NSYOYBVJFSTQKB-CYBMUJFWSA-N 1 0 283.375 2.553 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000409420966 380959160 /nfs/dbraw/zinc/95/91/60/380959160.db2.gz OOUOMGKOOAZGGM-AWEZNQCLSA-N 1 0 289.423 2.964 50 0 CFAARO Cc1c[nH+]c(C)n1CCNC(=O)C1(C)CCCCC1 ZINC000409420971 380959895 /nfs/dbraw/zinc/95/98/95/380959895.db2.gz PBAWWWHDDMFPBQ-UHFFFAOYSA-N 1 0 263.385 2.587 50 0 CFAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C)Cc1cccc(F)c1 ZINC000408519142 380935737 /nfs/dbraw/zinc/93/57/37/380935737.db2.gz FVACLIGPJJFFEJ-WOSRLPQWSA-N 1 0 292.398 2.733 50 0 CFAARO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000408519188 380935890 /nfs/dbraw/zinc/93/58/90/380935890.db2.gz PTWHZCLKKZBZHQ-RBSFLKMASA-N 1 0 274.408 2.827 50 0 CFAARO COc1cc(C[C@@H](C)[NH2+]Cc2ccccc2)ccn1 ZINC000408525886 380943174 /nfs/dbraw/zinc/94/31/74/380943174.db2.gz DIELZFDHLFUYCX-CYBMUJFWSA-N 1 0 256.349 2.811 50 0 CFAARO COc1ccc([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)cc1 ZINC000000187163 169568214 /nfs/dbraw/zinc/56/82/14/169568214.db2.gz ADGBENJAAOINKA-JKSUJKDBSA-N 1 0 277.364 2.595 50 0 CFAARO c1oc(-c2ccccc2)nc1C[NH2+][C@H]1CCCOC1 ZINC000342309395 381268964 /nfs/dbraw/zinc/26/89/64/381268964.db2.gz OHQCMONFACVFRL-ZDUSSCGKSA-N 1 0 258.321 2.610 50 0 CFAARO OC[C@@H](C[NH2+]Cc1cc2ccc(F)cc2[nH]1)c1cccnc1 ZINC000342284727 381245903 /nfs/dbraw/zinc/24/59/03/381245903.db2.gz RIJJDRKIADMQRI-CQSZACIVSA-N 1 0 299.349 2.568 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000348471935 381580997 /nfs/dbraw/zinc/58/09/97/381580997.db2.gz VWYFIAJFFFNVQW-BFHYXJOUSA-N 1 0 273.442 2.793 50 0 CFAARO O[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)CC1 ZINC000293006657 381947472 /nfs/dbraw/zinc/94/74/72/381947472.db2.gz DHWQJJRSWYDYQB-LBPRGKRZSA-N 1 0 257.736 2.826 50 0 CFAARO Cc1ccccc1CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000299757656 382042372 /nfs/dbraw/zinc/04/23/72/382042372.db2.gz LXRQTIANLBYIMC-INIZCTEOSA-N 1 0 286.419 2.671 50 0 CFAARO c1cnn(CC[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000299763362 382043609 /nfs/dbraw/zinc/04/36/09/382043609.db2.gz ZTHLVHADICFCPS-INIZCTEOSA-N 1 0 255.365 2.763 50 0 CFAARO C(=C/c1ccccc1)\CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000299787032 382048418 /nfs/dbraw/zinc/04/84/18/382048418.db2.gz YSVQYLYWFRDMAQ-QQQVMXRDSA-N 1 0 256.393 2.774 50 0 CFAARO C[N@H+](CC(=O)NCc1ccc2ccccc2n1)C1CCCC1 ZINC000299793304 382048560 /nfs/dbraw/zinc/04/85/60/382048560.db2.gz IMFZIGNDFREAEX-UHFFFAOYSA-N 1 0 297.402 2.725 50 0 CFAARO c1ccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)nc1 ZINC000299796066 382049673 /nfs/dbraw/zinc/04/96/73/382049673.db2.gz MRYRQPFDDXPFAQ-KRWDZBQOSA-N 1 0 284.359 2.539 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)o1 ZINC000188411301 382409693 /nfs/dbraw/zinc/40/96/93/382409693.db2.gz LXWRFQGWSZLAHJ-ZDUSSCGKSA-N 1 0 259.353 2.703 50 0 CFAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](O)CC1 ZINC000294086948 382409837 /nfs/dbraw/zinc/40/98/37/382409837.db2.gz RGZFMWSJDRSKSC-SZTZYQKNSA-N 1 0 261.365 2.555 50 0 CFAARO Cc1cccc(C)c1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294221355 382465773 /nfs/dbraw/zinc/46/57/73/382465773.db2.gz NAYLKFVTTMLZGR-OKILXGFUSA-N 1 0 275.396 2.860 50 0 CFAARO CN(C/C=C/c1ccc(F)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000421412209 382526740 /nfs/dbraw/zinc/52/67/40/382526740.db2.gz RWIVYTYPEMDYAR-WMHVBEDNSA-N 1 0 262.372 2.865 50 0 CFAARO Cn1cncc1C[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000189514811 382618575 /nfs/dbraw/zinc/61/85/75/382618575.db2.gz YEIQPEAVFCCDHG-HOTGVXAUSA-N 1 0 269.392 2.921 50 0 CFAARO CSCCN(C)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000189563288 382624413 /nfs/dbraw/zinc/62/44/13/382624413.db2.gz IMNKOPUEIKCDAT-NSHDSACASA-N 1 0 283.445 2.534 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)C1 ZINC000191363936 382699085 /nfs/dbraw/zinc/69/90/85/382699085.db2.gz ULLZZGMDYFTKLL-OUAUKWLOSA-N 1 0 296.773 2.532 50 0 CFAARO CC[NH+](CC)CCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000191839677 382702784 /nfs/dbraw/zinc/70/27/84/382702784.db2.gz YMKKQUFJOGDMDV-SFHVURJKSA-N 1 0 288.435 2.850 50 0 CFAARO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1Cl ZINC000195451125 382768374 /nfs/dbraw/zinc/76/83/74/382768374.db2.gz VPHYCYZOQVJNSP-DGCLKSJQSA-N 1 0 253.773 2.899 50 0 CFAARO O=C(CC[NH+]1CCCC1)N1CC[C@@H]1c1ccc(F)cc1 ZINC000220317530 382795720 /nfs/dbraw/zinc/79/57/20/382795720.db2.gz JDZUFKJVIQWCKP-OAHLLOKOSA-N 1 0 276.355 2.585 50 0 CFAARO CSCCC[N@@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC000215160022 382778037 /nfs/dbraw/zinc/77/80/37/382778037.db2.gz KZACVDGWOSAPOE-OAHLLOKOSA-N 1 0 264.438 2.728 50 0 CFAARO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1COCCO1 ZINC000215208709 382778189 /nfs/dbraw/zinc/77/81/89/382778189.db2.gz HFNKBDJWKAZZHR-ZDUSSCGKSA-N 1 0 289.297 2.553 50 0 CFAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](C)C1CCOCC1 ZINC000215170017 382778200 /nfs/dbraw/zinc/77/82/00/382778200.db2.gz IGMVWZAUHAJIDE-ZDUSSCGKSA-N 1 0 291.391 2.705 50 0 CFAARO Cc1cc(C)nc(CN(C)C(=O)C[C@H]2CCCC[N@@H+]2C)c1 ZINC000215417850 382778458 /nfs/dbraw/zinc/77/84/58/382778458.db2.gz CZEFSFKOCBMXRN-MRXNPFEDSA-N 1 0 289.423 2.531 50 0 CFAARO COc1cc(CN2CC[C@@H]([NH3+])C2)c(Cl)cc1OC(C)C ZINC000215346051 382778780 /nfs/dbraw/zinc/77/87/80/382778780.db2.gz CWNOCFPAYQBANA-GFCCVEGCSA-N 1 0 298.814 2.669 50 0 CFAARO CC[N@H+](Cc1cscn1)[C@@H]1CCOC(C)(C)C1 ZINC000215474265 382779043 /nfs/dbraw/zinc/77/90/43/382779043.db2.gz YHDYUMAKGZQFFI-GFCCVEGCSA-N 1 0 254.399 2.923 50 0 CFAARO Cn1cncc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000215465933 382779097 /nfs/dbraw/zinc/77/90/97/382779097.db2.gz JXEUCXMMUYIJED-HNNXBMFYSA-N 1 0 255.365 2.800 50 0 CFAARO CC[N@H+](Cc1cnn(C)c1)Cc1cccc(F)c1C ZINC000215684730 382780081 /nfs/dbraw/zinc/78/00/81/382780081.db2.gz HGRNTLSDULIZKI-UHFFFAOYSA-N 1 0 261.344 2.890 50 0 CFAARO Cc1c(Cl)cccc1NC(=S)N(C)CC[NH+](C)C ZINC000215678037 382780341 /nfs/dbraw/zinc/78/03/41/382780341.db2.gz ZZQLVZUYRYXYEG-UHFFFAOYSA-N 1 0 285.844 2.839 50 0 CFAARO Cc1ccc2ncccc2c1C[N@H+](C)Cc1cnccn1 ZINC000215797658 382780549 /nfs/dbraw/zinc/78/05/49/382780549.db2.gz CZSXZZIIVVOLTH-UHFFFAOYSA-N 1 0 278.359 2.965 50 0 CFAARO Cc1nnc([C@H]2CCCN2CC(C)(C)[NH+]2CCCCC2)[nH]1 ZINC000215847700 382780581 /nfs/dbraw/zinc/78/05/81/382780581.db2.gz SQUHOTTZFXOQBY-CQSZACIVSA-N 1 0 291.443 2.515 50 0 CFAARO CN1CCN(Cc2cccc3c4ccccc4oc32)CC1=O ZINC000215983350 382781372 /nfs/dbraw/zinc/78/13/72/382781372.db2.gz SPAJPSBCJHUEDZ-UHFFFAOYSA-N 1 0 294.354 2.860 50 0 CFAARO Fc1ccc(-c2ccc(CN3CCOCC3)cn2)cc1 ZINC000215986289 382781376 /nfs/dbraw/zinc/78/13/76/382781376.db2.gz UFSCREOEWRAYBP-UHFFFAOYSA-N 1 0 272.323 2.720 50 0 CFAARO CSc1ncc(C[N@H+](C)CC[C@H]2CCCCO2)cn1 ZINC000216149361 382781984 /nfs/dbraw/zinc/78/19/84/382781984.db2.gz FBWQSGKRXROVLS-CYBMUJFWSA-N 1 0 281.425 2.590 50 0 CFAARO COc1c(F)cc(CN2CCC[C@H]([NH+](C)C)CC2)cc1F ZINC000216145662 382782158 /nfs/dbraw/zinc/78/21/58/382782158.db2.gz ZQYSSZHTGYUETI-ZDUSSCGKSA-N 1 0 298.377 2.890 50 0 CFAARO COCC1([N@H+](C)Cc2cc(C)cc(C)c2OC)CC1 ZINC000216092147 382782285 /nfs/dbraw/zinc/78/22/85/382782285.db2.gz CFDNALWIAUWHFZ-UHFFFAOYSA-N 1 0 263.381 2.923 50 0 CFAARO CCc1ccc(C[N@@H+]2CC[C@H](n3nc(C)cc3C)C2)nc1 ZINC000216239687 382782545 /nfs/dbraw/zinc/78/25/45/382782545.db2.gz JSWBSZYIBMAUGM-KRWDZBQOSA-N 1 0 284.407 2.904 50 0 CFAARO CN(C)c1ccc(C[N@H+](C)CC[C@@H](O)c2ccccc2)cn1 ZINC000216446532 382783463 /nfs/dbraw/zinc/78/34/63/382783463.db2.gz QTTJLNXDWPGXPO-QGZVFWFLSA-N 1 0 299.418 2.703 50 0 CFAARO COc1cc(C[NH2+]C[C@@H]2CCCN2C)ccc1OC(C)C ZINC000221157667 382797418 /nfs/dbraw/zinc/79/74/18/382797418.db2.gz DXCZFJCADJLELH-HNNXBMFYSA-N 1 0 292.423 2.666 50 0 CFAARO c1ccc2oc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000225241177 382813386 /nfs/dbraw/zinc/81/33/86/382813386.db2.gz IHURGJULAVSZMF-YPMHNXCESA-N 1 0 257.337 2.867 50 0 CFAARO COC(=O)[C@H]1CC[N@H+](C[C@@H](c2ccccc2)C(C)C)C1 ZINC000225412809 382815958 /nfs/dbraw/zinc/81/59/58/382815958.db2.gz KZZJTMLMGYGYIT-JKSUJKDBSA-N 1 0 275.392 2.921 50 0 CFAARO COc1ccc(C[C@H]2CCC[N@H+](CCn3ccnc3)C2)cc1 ZINC000225530272 382817557 /nfs/dbraw/zinc/81/75/57/382817557.db2.gz NNCBVKZLMGAEES-QGZVFWFLSA-N 1 0 299.418 2.846 50 0 CFAARO FCCn1ncnc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000225636770 382819460 /nfs/dbraw/zinc/81/94/60/382819460.db2.gz SOZKBCGECQYRJY-AWEZNQCLSA-N 1 0 292.333 2.724 50 0 CFAARO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000229857503 382853450 /nfs/dbraw/zinc/85/34/50/382853450.db2.gz RVVBSQPSERVZQA-IAISJRAMSA-N 1 0 269.410 2.757 50 0 CFAARO Fc1cccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000230065937 382855296 /nfs/dbraw/zinc/85/52/96/382855296.db2.gz BLOYDQPNXRMDOQ-CVEARBPZSA-N 1 0 279.355 2.848 50 0 CFAARO C[N@@H+]1C[C@H](C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1 ZINC000230104143 382855719 /nfs/dbraw/zinc/85/57/19/382855719.db2.gz ZUTKUMRHLZENHR-IRXDYDNUSA-N 1 0 280.371 2.971 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+]Cc2ccno2)C12CCCCC2 ZINC000231880572 382867693 /nfs/dbraw/zinc/86/76/93/382867693.db2.gz CQBGIHRBXMSRDT-KBPBESRZSA-N 1 0 264.369 2.892 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc2ccc(C)cc2nc1C ZINC000237132398 382951269 /nfs/dbraw/zinc/95/12/69/382951269.db2.gz KVZBXLWIZRAJQN-HNNXBMFYSA-N 1 0 297.402 2.676 50 0 CFAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1cc2ccccc2o1 ZINC000237485018 382962024 /nfs/dbraw/zinc/96/20/24/382962024.db2.gz CMFHPHBJOJPAGZ-WDYNUWJLSA-N 1 0 284.359 2.784 50 0 CFAARO Cn1cccc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000237882311 382973075 /nfs/dbraw/zinc/97/30/75/382973075.db2.gz PTDCXYNGSJAKEH-AWEZNQCLSA-N 1 0 260.312 2.778 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cc2cccc(Cl)c2o1 ZINC000237967116 382975321 /nfs/dbraw/zinc/97/53/21/382975321.db2.gz VTLZKLCTJHVICH-JTQLQIEISA-N 1 0 278.739 2.650 50 0 CFAARO [NH3+][C@@H]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000238574217 382979707 /nfs/dbraw/zinc/97/97/07/382979707.db2.gz WDMKSHMULLGORP-GHMZBOCLSA-N 1 0 256.143 2.628 50 0 CFAARO C[NH+]1CCC(CNc2ncnc3c(F)cccc23)CC1 ZINC000241157322 382983255 /nfs/dbraw/zinc/98/32/55/382983255.db2.gz JWURWAODPYXKPB-UHFFFAOYSA-N 1 0 274.343 2.523 50 0 CFAARO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cncs1 ZINC000241144935 382984020 /nfs/dbraw/zinc/98/40/20/382984020.db2.gz JUFNGTKQIAXQNF-CZUORRHYSA-N 1 0 287.432 2.753 50 0 CFAARO CCN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cn1 ZINC000242047821 382984682 /nfs/dbraw/zinc/98/46/82/382984682.db2.gz VQJFTXFSSJPPFA-UHFFFAOYSA-N 1 0 299.374 2.556 50 0 CFAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000241720913 382984768 /nfs/dbraw/zinc/98/47/68/382984768.db2.gz QTIFAMBTKHANIK-BRWVUGGUSA-N 1 0 286.419 2.910 50 0 CFAARO C[C@@H]1[C@H]([NH2+]CCc2cnn(C)c2)C[C@H]1c1ccccc1 ZINC000241884816 382984896 /nfs/dbraw/zinc/98/48/96/382984896.db2.gz SYBGXTUVBNOJCY-IAOVAPTHSA-N 1 0 269.392 2.744 50 0 CFAARO CCN(CC)C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000242178832 382985679 /nfs/dbraw/zinc/98/56/79/382985679.db2.gz XBGBABYWGPVGGP-UAGQMJEPSA-N 1 0 276.424 2.837 50 0 CFAARO C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCSCC1 ZINC000244633521 382989919 /nfs/dbraw/zinc/98/99/19/382989919.db2.gz GEJMCLOYMLMLAN-AWEZNQCLSA-N 1 0 263.406 2.818 50 0 CFAARO CC(C)Oc1ccccc1OCC[N@H+](C)CC1(C)COC1 ZINC000244795984 382992378 /nfs/dbraw/zinc/99/23/78/382992378.db2.gz RQTAGZZXCAINMG-UHFFFAOYSA-N 1 0 293.407 2.821 50 0 CFAARO C[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)CCCO1 ZINC000244858677 382992708 /nfs/dbraw/zinc/99/27/08/382992708.db2.gz VQDGQFMWHIMKKD-OAHLLOKOSA-N 1 0 285.391 2.542 50 0 CFAARO COC[C@@H]1CC[N@H+](CCOc2cccc(OC(C)C)c2)C1 ZINC000244831545 382993526 /nfs/dbraw/zinc/99/35/26/382993526.db2.gz UFTAPUCYNHNPGE-OAHLLOKOSA-N 1 0 293.407 2.821 50 0 CFAARO CCn1ccc(C[N@H+](C)C2Cc3ccccc3C2)n1 ZINC000244884446 382993969 /nfs/dbraw/zinc/99/39/69/382993969.db2.gz YMTRNGUWCMVQKE-UHFFFAOYSA-N 1 0 255.365 2.502 50 0 CFAARO COc1ccc2[nH]c3c(c2c1)CN(C[C@H]1CCC[N@@H+]1C)CC3 ZINC000244873325 382994196 /nfs/dbraw/zinc/99/41/96/382994196.db2.gz WOEXMIXTJWGTNH-CYBMUJFWSA-N 1 0 299.418 2.629 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2CCCn2ccnc2C)on1 ZINC000244884343 382994565 /nfs/dbraw/zinc/99/45/65/382994565.db2.gz YKNBEWZRBFAGNG-CQSZACIVSA-N 1 0 274.368 2.715 50 0 CFAARO CC(C)(C)C(=O)NCC1CC[NH+](C2CCSCC2)CC1 ZINC000245053630 382995603 /nfs/dbraw/zinc/99/56/03/382995603.db2.gz PDQZKILWQJOVCK-UHFFFAOYSA-N 1 0 298.496 2.756 50 0 CFAARO CSCC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000244899705 382995746 /nfs/dbraw/zinc/99/57/46/382995746.db2.gz ZOMSFFAJNWSSHC-UHFFFAOYSA-N 1 0 273.833 2.612 50 0 CFAARO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245735405 383029654 /nfs/dbraw/zinc/02/96/54/383029654.db2.gz WPCIPBUKEPRQOK-IIAWOOMASA-N 1 0 270.380 2.922 50 0 CFAARO Cc1ccccc1[C@H](C)CC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000246578923 383083882 /nfs/dbraw/zinc/08/38/82/383083882.db2.gz COIKARZCTHFCFS-ILXRZTDVSA-N 1 0 274.408 2.697 50 0 CFAARO COCCN1CC[N@@H+]([C@H](C)CCc2ccccc2)C[C@@H]1C ZINC000106776803 532971596 /nfs/dbraw/zinc/97/15/96/532971596.db2.gz WVOWAMIWMAHPIN-SJORKVTESA-N 1 0 290.451 2.660 50 0 CFAARO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)[C@H]1CC2CCC1CC2 ZINC000585117083 383114681 /nfs/dbraw/zinc/11/46/81/383114681.db2.gz QMBNCJIFOVBFIS-HTXSYXIBSA-N 1 0 274.412 2.917 50 0 CFAARO CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)CC1 ZINC000585117404 383115031 /nfs/dbraw/zinc/11/50/31/383115031.db2.gz AYJYDTQBQZQFIM-UAGQMJEPSA-N 1 0 281.440 2.889 50 0 CFAARO CC1=C(C)C[C@H]([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)CC1 ZINC000585117405 383115103 /nfs/dbraw/zinc/11/51/03/383115103.db2.gz AYJYDTQBQZQFIM-USXIJHARSA-N 1 0 281.440 2.889 50 0 CFAARO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)[C@H](C)n1cccn1 ZINC000248238434 383220685 /nfs/dbraw/zinc/22/06/85/383220685.db2.gz FVRMCZYCHFNMFI-SLEUVZQESA-N 1 0 293.798 2.809 50 0 CFAARO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C1 ZINC000249260121 383335713 /nfs/dbraw/zinc/33/57/13/383335713.db2.gz HNPUGYICPKCVMH-WOPDTQHZSA-N 1 0 287.329 2.978 50 0 CFAARO Brc1cncc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252711593 532979301 /nfs/dbraw/zinc/97/93/01/532979301.db2.gz JZYRIWOZBWKTRC-YPMHNXCESA-N 1 0 296.212 2.883 50 0 CFAARO Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248757430 383288378 /nfs/dbraw/zinc/28/83/78/383288378.db2.gz VMAMOKVKDSNLMQ-AAEUAGOBSA-N 1 0 253.773 2.851 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000249062787 383323330 /nfs/dbraw/zinc/32/33/30/383323330.db2.gz IEDCSKIRYDVMMG-OIISXLGYSA-N 1 0 278.440 2.779 50 0 CFAARO C[C@H](c1cccc(-c2ncn(C)n2)c1)[NH+]1CCCC1 ZINC000426497200 383402897 /nfs/dbraw/zinc/40/28/97/383402897.db2.gz JELLUSFDXAKRMK-GFCCVEGCSA-N 1 0 256.353 2.639 50 0 CFAARO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000252481392 383410969 /nfs/dbraw/zinc/41/09/69/383410969.db2.gz CKJNBFHVKVYIDL-MJGOQNOKSA-N 1 0 297.398 2.903 50 0 CFAARO CCN(C)c1ccc(C[NH2+]Cc2cnc(C)s2)cn1 ZINC000252481870 383411682 /nfs/dbraw/zinc/41/16/82/383411682.db2.gz CUHRUJWQNMDYSV-UHFFFAOYSA-N 1 0 276.409 2.592 50 0 CFAARO Cc1ccccc1[C@H](C)c1noc(C2CC[NH2+]CC2)n1 ZINC000252483918 383412003 /nfs/dbraw/zinc/41/20/03/383412003.db2.gz FKYIJEQQUDBLDX-LBPRGKRZSA-N 1 0 271.364 2.997 50 0 CFAARO Cc1c[nH]c(C[NH+]2CCC(c3cc[nH]n3)CC2)c(C)c1=O ZINC000253536682 383461722 /nfs/dbraw/zinc/46/17/22/383461722.db2.gz KNKSISSGKWXIOE-UHFFFAOYSA-N 1 0 286.379 2.507 50 0 CFAARO COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000096476527 532987077 /nfs/dbraw/zinc/98/70/77/532987077.db2.gz VOZLJHZXOHSTID-BXUZGUMPSA-N 1 0 279.380 2.515 50 0 CFAARO CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1F ZINC000252571967 383420346 /nfs/dbraw/zinc/42/03/46/383420346.db2.gz YOQVJUKLNKCWKT-RCBQFDQVSA-N 1 0 280.387 2.586 50 0 CFAARO C/C(=C/C(=O)N1CC[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000255583817 383484187 /nfs/dbraw/zinc/48/41/87/383484187.db2.gz SFMNKXXIJXRKDL-SEVUFMINSA-N 1 0 278.783 2.551 50 0 CFAARO Fc1ccc(/C=C\C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000255728827 383486458 /nfs/dbraw/zinc/48/64/58/383486458.db2.gz DJMLQVGAYZIVRL-SSCKWRJFSA-N 1 0 286.354 2.768 50 0 CFAARO CCC(=O)N1CCC(n2c(C)c[nH+]c2C2CC2)CC1 ZINC000257176645 383489931 /nfs/dbraw/zinc/48/99/31/383489931.db2.gz CVKBANCEGOBVJE-UHFFFAOYSA-N 1 0 261.369 2.642 50 0 CFAARO CCN(Cc1ccncc1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261698585 383544231 /nfs/dbraw/zinc/54/42/31/383544231.db2.gz OAWXXHVUHRIEQX-MRXNPFEDSA-N 1 0 289.423 2.728 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)nc1 ZINC000645077814 385177558 /nfs/dbraw/zinc/17/75/58/385177558.db2.gz HEGWZEBJZVHQMJ-AWEZNQCLSA-N 1 0 270.380 2.747 50 0 CFAARO O=C1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C2(CCC2)N1 ZINC000286133475 385563417 /nfs/dbraw/zinc/56/34/17/385563417.db2.gz VGESGNJOIWXRJD-OAHLLOKOSA-N 1 0 284.359 2.724 50 0 CFAARO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000286134847 385563610 /nfs/dbraw/zinc/56/36/10/385563610.db2.gz MVTGPIYJRYSFIE-GFCCVEGCSA-N 1 0 251.395 2.506 50 0 CFAARO O=[N+]1C(c2ccc3c(c2)OCO3)=CN(O)[C@@H]2CCCC[C@H]21 ZINC000334158886 285190887 /nfs/dbraw/zinc/19/08/87/285190887.db2.gz JRPNCWOLLUULFP-VXGBXAGGSA-N 1 0 289.311 2.509 50 0 CFAARO C[C@@H](C(=O)N1CCC[C@@H]1c1ccc[nH]1)[NH+]1CCCCCC1 ZINC000098014307 533203913 /nfs/dbraw/zinc/20/39/13/533203913.db2.gz WLDDUYHALVCARR-GOEBONIOSA-N 1 0 289.423 2.943 50 0 CFAARO C(C[NH+]1CCC(OC2CCCC2)CC1)OC[C@H]1CCCO1 ZINC000096421097 256788696 /nfs/dbraw/zinc/78/86/96/256788696.db2.gz DJASWXQUBRBOPI-QGZVFWFLSA-N 1 0 297.439 2.606 50 0 CFAARO CC[C@H](CC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C)c1ccccc1 ZINC000236925701 256851605 /nfs/dbraw/zinc/85/16/05/256851605.db2.gz LNHWCGYCWFUNTN-SQWLQELKSA-N 1 0 274.408 2.909 50 0 CFAARO C[NH2+]C[C@H](C)CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000237149835 256852590 /nfs/dbraw/zinc/85/25/90/256852590.db2.gz XXBTZDPKXZFCDB-NWDGAFQWSA-N 1 0 274.364 2.508 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000521394151 256855045 /nfs/dbraw/zinc/85/50/45/256855045.db2.gz NQXIZMDQDUQHTP-JWDQPFGJSA-N 1 0 293.382 2.918 50 0 CFAARO C[N@H+](CCc1ccncc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000095999377 256882424 /nfs/dbraw/zinc/88/24/24/256882424.db2.gz DVUIINPRDRHQSD-MRXNPFEDSA-N 1 0 290.794 2.943 50 0 CFAARO CCC1(O)CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000095988541 256882552 /nfs/dbraw/zinc/88/25/52/256882552.db2.gz JPSDVTSMNIRLEN-UHFFFAOYSA-N 1 0 291.391 2.647 50 0 CFAARO C1CCC([NH+]2CCC(c3nc([C@@H]4CCOC4)no3)CC2)C1 ZINC000096163561 256885628 /nfs/dbraw/zinc/88/56/28/256885628.db2.gz RXEFHBCUAHSFRC-CYBMUJFWSA-N 1 0 291.395 2.696 50 0 CFAARO O[C@@H]1c2ccc(-c3ccncc3)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426667651 285337320 /nfs/dbraw/zinc/33/73/20/285337320.db2.gz UZTBLXUEOAKIKU-SJLPKXTDSA-N 1 0 296.370 2.639 50 0 CFAARO C[NH2+][C@@H](CC(C)C)c1ncnn1C1Cc2ccccc2C1 ZINC000824076727 781985689 /nfs/dbraw/zinc/98/56/89/781985689.db2.gz DFJVOKDJOJFPCL-INIZCTEOSA-N 1 0 284.407 2.925 50 0 CFAARO CC[N@@H+]1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095362815 184952970 /nfs/dbraw/zinc/95/29/70/184952970.db2.gz JQNZPTWJJKMRIJ-RCCFBDPRSA-N 1 0 286.419 2.577 50 0 CFAARO Cc1ccc(CCN(Cc2ccco2)C(=O)[C@@H](C)[NH3+])cc1 ZINC000095466787 184994744 /nfs/dbraw/zinc/99/47/44/184994744.db2.gz OTGGXVMYBWBOGM-CQSZACIVSA-N 1 0 286.375 2.507 50 0 CFAARO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252486304 131135130 /nfs/dbraw/zinc/13/51/30/131135130.db2.gz IASQAAZHIYLUCQ-MWDXBVQZSA-N 1 0 289.419 2.647 50 0 CFAARO C/C(=C\C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)c1cccc(F)c1 ZINC000269293417 132150531 /nfs/dbraw/zinc/15/05/31/132150531.db2.gz VFDYUCOHTJIRDZ-LBNDFQBJSA-N 1 0 290.382 2.815 50 0 CFAARO Cc1cc(N2CCC3(CC2)OCCO3)c2ccccc2[nH+]1 ZINC000026705029 393496683 /nfs/dbraw/zinc/49/66/83/393496683.db2.gz QUWHYQMTCITXKX-UHFFFAOYSA-N 1 0 284.359 2.887 50 0 CFAARO FC(F)(F)c1nc2ccccc2n1C1CC[NH2+]CC1 ZINC000036261538 393523771 /nfs/dbraw/zinc/52/37/71/393523771.db2.gz VNANKKHTFBNUCV-UHFFFAOYSA-N 1 0 269.270 2.980 50 0 CFAARO CCc1ccc(CCC(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000047339477 393587040 /nfs/dbraw/zinc/58/70/40/393587040.db2.gz POXGIUMFSBSCPG-UHFFFAOYSA-N 1 0 288.435 2.734 50 0 CFAARO Clc1ccc([C@H]2OCC[C@@H]2[NH2+]CCn2cccn2)cc1 ZINC000192022836 393612791 /nfs/dbraw/zinc/61/27/91/393612791.db2.gz HIFJTVYTCXEWFO-LSDHHAIUSA-N 1 0 291.782 2.656 50 0 CFAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2nc(C)ccc2O)c1 ZINC000055042184 393619086 /nfs/dbraw/zinc/61/90/86/393619086.db2.gz IASDVYRIMHTAFQ-AWEZNQCLSA-N 1 0 285.391 2.862 50 0 CFAARO CC[C@@H](CNc1nc(C)nc2sccc21)[NH+](C)C ZINC000055052531 393620661 /nfs/dbraw/zinc/62/06/61/393620661.db2.gz FFMQPVRVCDZHHQ-JTQLQIEISA-N 1 0 264.398 2.752 50 0 CFAARO Cc1csc2c1ncnc2N1CCC[N@@H+](C2CC2)CC1 ZINC000192544582 393625590 /nfs/dbraw/zinc/62/55/90/393625590.db2.gz ANNWFCNEJYVHAL-UHFFFAOYSA-N 1 0 288.420 2.674 50 0 CFAARO Cc1ccc([C@@H]([NH2+]CC(=O)NC2CC2)c2ccccc2)cc1 ZINC000068759862 393635021 /nfs/dbraw/zinc/63/50/21/393635021.db2.gz XWZYOHARDQHQPJ-IBGZPJMESA-N 1 0 294.398 2.953 50 0 CFAARO FC(F)(F)c1cc([C@H]2CCCC[NH2+]2)nc2nccn21 ZINC000072343513 393650561 /nfs/dbraw/zinc/65/05/61/393650561.db2.gz JLSIRVFVGNTXTD-MRVPVSSYSA-N 1 0 270.258 2.563 50 0 CFAARO OC1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000077247300 393697206 /nfs/dbraw/zinc/69/72/06/393697206.db2.gz UGDDTIOBZVBNMQ-UHFFFAOYSA-N 1 0 253.773 2.729 50 0 CFAARO Cc1ccc(C[NH2+]C2CCN(c3ncccn3)CC2)cc1C ZINC000079080615 393714863 /nfs/dbraw/zinc/71/48/63/393714863.db2.gz STXCUQIEVGUJHM-UHFFFAOYSA-N 1 0 296.418 2.852 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1ccsc1)CCC2 ZINC000089702138 393769562 /nfs/dbraw/zinc/76/95/62/393769562.db2.gz BUWBQWJXQIYLAU-ZDUSSCGKSA-N 1 0 261.394 2.920 50 0 CFAARO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000090461731 393778128 /nfs/dbraw/zinc/77/81/28/393778128.db2.gz JJZRERDJXSZNIT-KBPBESRZSA-N 1 0 265.328 2.647 50 0 CFAARO CCOC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000090461615 393778227 /nfs/dbraw/zinc/77/82/27/393778227.db2.gz JJZRERDJXSZNIT-ZIAGYGMSSA-N 1 0 265.328 2.647 50 0 CFAARO CC[C@@H]1CN(C/C=C\c2ccccc2)CC[N@@H+]1CCOC ZINC000096295238 393818719 /nfs/dbraw/zinc/81/87/19/393818719.db2.gz FZFZXVGZUCIDDD-IEODJVTJSA-N 1 0 288.435 2.742 50 0 CFAARO CC(C)[N@H+](C)CC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000096419362 393826948 /nfs/dbraw/zinc/82/69/48/393826948.db2.gz FGQICOMNOGYZKD-UHFFFAOYSA-N 1 0 294.370 2.893 50 0 CFAARO O[C@H](C[N@H+](Cc1ccno1)C1CC1)c1ccc(F)cc1 ZINC000096424432 393829931 /nfs/dbraw/zinc/82/99/31/393829931.db2.gz GDGQLNKNWBGYBY-OAHLLOKOSA-N 1 0 276.311 2.512 50 0 CFAARO CC(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106135344 393866583 /nfs/dbraw/zinc/86/65/83/393866583.db2.gz KJUMQUAIEXQQOC-UKRRQHHQSA-N 1 0 260.381 2.594 50 0 CFAARO CC(C)(C)[C@@H](O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000343848979 393890552 /nfs/dbraw/zinc/89/05/52/393890552.db2.gz UICWMGKSLFWULG-HNNXBMFYSA-N 1 0 259.393 2.941 50 0 CFAARO CC(C)C[N@@H+]1CC[C@H](CN(C)Cc2cncn2C(C)C)C1 ZINC000097446947 393840479 /nfs/dbraw/zinc/84/04/79/393840479.db2.gz BOUXDYMOQDKKLH-MRXNPFEDSA-N 1 0 292.471 2.874 50 0 CFAARO Cc1csc([C@H]2CN(c3cccc(C)n3)CCO2)n1 ZINC000097096596 393840993 /nfs/dbraw/zinc/84/09/93/393840993.db2.gz XJPYJKURQWHDOO-GFCCVEGCSA-N 1 0 275.377 2.733 50 0 CFAARO C[N@@H+]1CCN(Cc2cscn2)C2(CCCCC2)C1 ZINC000098018757 393841998 /nfs/dbraw/zinc/84/19/98/393841998.db2.gz CDKROVDGNPKGDH-UHFFFAOYSA-N 1 0 265.426 2.593 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000103818556 393858006 /nfs/dbraw/zinc/85/80/06/393858006.db2.gz OSRMXINWMQJVJA-DEBLGDTFSA-N 1 0 292.810 2.811 50 0 CFAARO COc1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000252486792 393935582 /nfs/dbraw/zinc/93/55/82/393935582.db2.gz NGHYVUFFYNSIIJ-HOCLYGCPSA-N 1 0 261.365 2.696 50 0 CFAARO Cc1cccc(Cn2c[n+](Cc3cccc(C)c3)cn2)c1 ZINC000252509532 393937293 /nfs/dbraw/zinc/93/72/93/393937293.db2.gz YPHVKFDFDQPMIJ-UHFFFAOYSA-N 1 0 278.379 2.884 50 0 CFAARO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000122189544 393966061 /nfs/dbraw/zinc/96/60/61/393966061.db2.gz IGPWUGMXAMYXEV-HNNXBMFYSA-N 1 0 290.407 2.894 50 0 CFAARO c1nnc(C[NH2+][C@H]2CCC23CCC3)n1-c1ccccc1 ZINC000281957292 394101215 /nfs/dbraw/zinc/10/12/15/394101215.db2.gz AUMCYWOVYLCEER-AWEZNQCLSA-N 1 0 268.364 2.690 50 0 CFAARO C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)[S@](C)=O ZINC000170062298 394371048 /nfs/dbraw/zinc/37/10/48/394371048.db2.gz VZPMYKGIYHGDSO-RLFDGXBXSA-N 1 0 257.374 2.633 50 0 CFAARO C[NH2+]C1CCN(C(=O)C2(c3cc(C)cc(C)c3)CC2)CC1 ZINC000170048298 394371107 /nfs/dbraw/zinc/37/11/07/394371107.db2.gz VSVYNCBIOXOAOK-UHFFFAOYSA-N 1 0 286.419 2.545 50 0 CFAARO CC(C)[NH2+]CCCNC(=O)c1coc2ccccc12 ZINC000170048239 394371193 /nfs/dbraw/zinc/37/11/93/394371193.db2.gz BRXKGPRKTJCUMR-UHFFFAOYSA-N 1 0 260.337 2.551 50 0 CFAARO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000527700148 394398440 /nfs/dbraw/zinc/39/84/40/394398440.db2.gz MTZMYWJMWJHQSA-KCXAZCMYSA-N 1 0 282.391 2.792 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(OC(F)F)cc1 ZINC000453421891 394402091 /nfs/dbraw/zinc/40/20/91/394402091.db2.gz ZGXDTOVDBZMQAX-OASPWFOLSA-N 1 0 271.307 2.852 50 0 CFAARO CC1(C)CN(C(=S)Nc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000044974874 397570974 /nfs/dbraw/zinc/57/09/74/397570974.db2.gz IABLCKCNLZMSBD-UHFFFAOYSA-N 1 0 295.427 2.985 50 0 CFAARO CC(C)CC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000058431912 397590075 /nfs/dbraw/zinc/59/00/75/397590075.db2.gz DOZLBTRHNAILLX-HNNXBMFYSA-N 1 0 260.381 2.596 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000214358345 397618684 /nfs/dbraw/zinc/61/86/84/397618684.db2.gz RMBASOVUGZZLBI-GJGBYCJWSA-N 1 0 276.355 2.567 50 0 CFAARO CCCCSc1ncc(C[N@H+](C)C2CCOCC2)cn1 ZINC000215257759 397619350 /nfs/dbraw/zinc/61/93/50/397619350.db2.gz MUCLTDMIEUHJJM-UHFFFAOYSA-N 1 0 295.452 2.980 50 0 CFAARO Cc1nnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)s1 ZINC000252485992 397628345 /nfs/dbraw/zinc/62/83/45/397628345.db2.gz CENVOLOKDBVQLR-TZMCWYRMSA-N 1 0 294.468 2.937 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000243885697 292167570 /nfs/dbraw/zinc/16/75/70/292167570.db2.gz ABONSXHZHXQBBR-CABCVRRESA-N 1 0 263.381 2.609 50 0 CFAARO Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000004149138 292277721 /nfs/dbraw/zinc/27/77/21/292277721.db2.gz ANUPZHOTTNGHAV-AWEZNQCLSA-N 1 0 277.331 2.632 50 0 CFAARO Cc1nn(C)c(C)c1CN(C)c1cc(C)[nH+]c(C)c1 ZINC000825261458 782006372 /nfs/dbraw/zinc/00/63/72/782006372.db2.gz FHWJUPWMLWRWJE-UHFFFAOYSA-N 1 0 258.369 2.685 50 0 CFAARO Cc1nnc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000825296796 782008035 /nfs/dbraw/zinc/00/80/35/782008035.db2.gz TULTZRVGXRVOIL-GFCCVEGCSA-N 1 0 280.441 2.913 50 0 CFAARO Cc1cc(C)n(CCC[NH2+][C@H]2CCN(c3ccccc3)C2)n1 ZINC000825286454 782008718 /nfs/dbraw/zinc/00/87/18/782008718.db2.gz YWUWGZKJHGLXJD-KRWDZBQOSA-N 1 0 298.434 2.759 50 0 CFAARO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCN(C)CC1 ZINC000089657421 292337506 /nfs/dbraw/zinc/33/75/06/292337506.db2.gz CBUNHMTYCXFTJE-MRXNPFEDSA-N 1 0 274.408 2.893 50 0 CFAARO COc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367053355 156274288 /nfs/dbraw/zinc/27/42/88/156274288.db2.gz FGCHNOXCMRBALA-KRWDZBQOSA-N 1 0 291.391 2.577 50 0 CFAARO OC1(c2ccc(Cl)c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000002539643 169805695 /nfs/dbraw/zinc/80/56/95/169805695.db2.gz RALRVIPTUXSBPO-UHFFFAOYSA-N 1 0 279.689 2.930 50 0 CFAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000003564653 169897821 /nfs/dbraw/zinc/89/78/21/169897821.db2.gz GYFVKUMAGMSRMA-CYBMUJFWSA-N 1 0 260.381 2.974 50 0 CFAARO O=C(NCC[NH2+]Cc1cccs1)c1ccccc1Cl ZINC000004498159 169973022 /nfs/dbraw/zinc/97/30/22/169973022.db2.gz SPYOELBYBPYUTR-UHFFFAOYSA-N 1 0 294.807 2.921 50 0 CFAARO CC[NH+](CC)CCS[C@@H](CO)c1ccccc1 ZINC000004578749 169986257 /nfs/dbraw/zinc/98/62/57/169986257.db2.gz KSZSOJBYBCMHAM-AWEZNQCLSA-N 1 0 253.411 2.795 50 0 CFAARO CC[NH+](CC)C[C@@H](O)CCCCCCCCC(=O)OC ZINC000004728738 170007356 /nfs/dbraw/zinc/00/73/56/170007356.db2.gz VQDIZCMDQNMFSY-HNNXBMFYSA-N 1 0 287.444 2.983 50 0 CFAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000004745145 170010680 /nfs/dbraw/zinc/01/06/80/170010680.db2.gz MMRYDGYIJPUMII-QGZVFWFLSA-N 1 0 286.419 2.829 50 0 CFAARO C[C@H]1CCC[N@H+](CCCOc2ccc(C=O)cc2)C1 ZINC000004840931 170027919 /nfs/dbraw/zinc/02/79/19/170027919.db2.gz HMFBUSMMRGDVNG-AWEZNQCLSA-N 1 0 261.365 3.000 50 0 CFAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2C=O)C1 ZINC000004842557 170028955 /nfs/dbraw/zinc/02/89/55/170028955.db2.gz MQNFBPLVEPWWGY-OAHLLOKOSA-N 1 0 291.391 2.626 50 0 CFAARO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000004863111 170031953 /nfs/dbraw/zinc/03/19/53/170031953.db2.gz NIWBCNRJLSYIFY-KRWDZBQOSA-N 1 0 288.391 2.942 50 0 CFAARO COc1cccc(C=O)c1OCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004870080 170034482 /nfs/dbraw/zinc/03/44/82/170034482.db2.gz YWQUOYDUMPEZAE-KBPBESRZSA-N 1 0 291.391 2.864 50 0 CFAARO CC1CC[NH+](CCCOc2ccc(CO)cc2)CC1 ZINC000004869957 170034868 /nfs/dbraw/zinc/03/48/68/170034868.db2.gz NTULNCAIXJFPOP-UHFFFAOYSA-N 1 0 263.381 2.680 50 0 CFAARO Fc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000005092886 170065952 /nfs/dbraw/zinc/06/59/52/170065952.db2.gz AZGGOYGOOAEGFN-ZDUSSCGKSA-N 1 0 254.736 2.985 50 0 CFAARO CC(=O)N(CC[NH+](C)C)c1nc2c(cccc2C)s1 ZINC000005115420 170066963 /nfs/dbraw/zinc/06/69/63/170066963.db2.gz SHAHOOHCCHCMCP-UHFFFAOYSA-N 1 0 277.393 2.519 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1ccccc1C(C)C ZINC000005837696 170145352 /nfs/dbraw/zinc/14/53/52/170145352.db2.gz YXLBZEOCIGIKBD-CYBMUJFWSA-N 1 0 251.370 2.548 50 0 CFAARO COc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1OC ZINC000005936072 170158359 /nfs/dbraw/zinc/15/83/59/170158359.db2.gz WCYPEUYCPIPHPK-UHFFFAOYSA-N 1 0 292.379 2.518 50 0 CFAARO C[N@H+](Cc1cc(=O)n2ccsc2n1)C1CCCCC1 ZINC000006226804 170184006 /nfs/dbraw/zinc/18/40/06/170184006.db2.gz DZIVXOIOFMFHLM-UHFFFAOYSA-N 1 0 277.393 2.521 50 0 CFAARO COc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000006703250 170230196 /nfs/dbraw/zinc/23/01/96/170230196.db2.gz KCHQIWWOWIUPTP-UHFFFAOYSA-N 1 0 256.143 2.710 50 0 CFAARO CCOC(=O)C1CC[NH+](CCOc2ccccc2C)CC1 ZINC000006703486 170230340 /nfs/dbraw/zinc/23/03/40/170230340.db2.gz VQWXIYVXYUIDGY-UHFFFAOYSA-N 1 0 291.391 2.649 50 0 CFAARO Cc1ccccc1NC(=O)NCC[NH+]1CCCCC1 ZINC000006741863 170237683 /nfs/dbraw/zinc/23/76/83/170237683.db2.gz PWYJHUCMEDQFBG-UHFFFAOYSA-N 1 0 261.369 2.602 50 0 CFAARO CC1CC[NH+](Cc2cc(=O)oc3ccc(O)cc23)CC1 ZINC000006760116 170241739 /nfs/dbraw/zinc/24/17/39/170241739.db2.gz DXMLXRMFLUCRTE-UHFFFAOYSA-N 1 0 273.332 2.731 50 0 CFAARO COc1cc(C[NH2+]C(C)(C)C)cc(OC)c1OC ZINC000006882519 170252342 /nfs/dbraw/zinc/25/23/42/170252342.db2.gz COPVRRFGUJWMHO-UHFFFAOYSA-N 1 0 253.342 2.601 50 0 CFAARO OCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000006889922 170253545 /nfs/dbraw/zinc/25/35/45/170253545.db2.gz GHOBPTKRMJQZPD-UHFFFAOYSA-N 1 0 271.360 2.738 50 0 CFAARO C[C@@H](C(=O)Nc1ccccc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007386042 170281955 /nfs/dbraw/zinc/28/19/55/170281955.db2.gz ZTFTWPABVCSKJG-MCIONIFRSA-N 1 0 260.381 2.992 50 0 CFAARO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000007486605 170287121 /nfs/dbraw/zinc/28/71/21/170287121.db2.gz QVXUWTYGUGJYIC-LBPRGKRZSA-N 1 0 292.379 2.517 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000007525337 170288726 /nfs/dbraw/zinc/28/87/26/170288726.db2.gz DTAZZEUVFFBNAW-AWEZNQCLSA-N 1 0 299.418 2.701 50 0 CFAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COC(C)(C)C ZINC000007636322 170294624 /nfs/dbraw/zinc/29/46/24/170294624.db2.gz TXKKKHZRWWVMBX-LBPRGKRZSA-N 1 0 259.434 2.967 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+][C@H](CC)CO)cc1OC ZINC000008327024 170331331 /nfs/dbraw/zinc/33/13/31/170331331.db2.gz UWJSUAKAHMHDGJ-LLVKDONJSA-N 1 0 287.787 2.608 50 0 CFAARO C[NH2+]CCCNCc1ccccc1OCc1ccccc1 ZINC000008377264 170333698 /nfs/dbraw/zinc/33/36/98/170333698.db2.gz SHOWIJHHMIWIFP-UHFFFAOYSA-N 1 0 284.403 2.965 50 0 CFAARO Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000008673890 170344772 /nfs/dbraw/zinc/34/47/72/170344772.db2.gz IUJSRNGQLYDDBN-UHFFFAOYSA-N 1 0 274.408 2.989 50 0 CFAARO CC(C)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000012382271 170482534 /nfs/dbraw/zinc/48/25/34/170482534.db2.gz AVCYMDGPLLBACX-UHFFFAOYSA-N 1 0 274.408 2.671 50 0 CFAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccn1 ZINC000012777989 170509898 /nfs/dbraw/zinc/50/98/98/170509898.db2.gz BXBYNEABJACRHF-UHFFFAOYSA-N 1 0 295.386 2.607 50 0 CFAARO CCCCOCCC[NH2+]Cc1cccc(OC)c1 ZINC000013718035 170581152 /nfs/dbraw/zinc/58/11/52/170581152.db2.gz VURMQWXPOTZPRT-UHFFFAOYSA-N 1 0 251.370 2.992 50 0 CFAARO Brc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC000014631674 170640412 /nfs/dbraw/zinc/64/04/12/170640412.db2.gz CLKKEMYCKKEASI-NSHDSACASA-N 1 0 256.143 2.580 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccnc1 ZINC000020137865 171025007 /nfs/dbraw/zinc/02/50/07/171025007.db2.gz AKOJXKXDJZTPTK-TZMCWYRMSA-N 1 0 270.332 2.572 50 0 CFAARO CC(C)[N@H+](CCO)CCc1ccc(F)cc1Cl ZINC000020166311 171041021 /nfs/dbraw/zinc/04/10/21/171041021.db2.gz HLLLTUQGYALTGH-UHFFFAOYSA-N 1 0 259.752 2.724 50 0 CFAARO CCC[NH+]1CCC(NCc2ccc(OC)cc2OC)CC1 ZINC000020189524 171056113 /nfs/dbraw/zinc/05/61/13/171056113.db2.gz GRBNQRLCJQRZHG-UHFFFAOYSA-N 1 0 292.423 2.668 50 0 CFAARO COc1ccc(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000020221656 171083091 /nfs/dbraw/zinc/08/30/91/171083091.db2.gz KWEOPFDILWIDDB-JTQLQIEISA-N 1 0 255.745 2.727 50 0 CFAARO Clc1ccc(-c2csc(CN3CC[NH2+]CC3)n2)cc1 ZINC000020221728 171083219 /nfs/dbraw/zinc/08/32/19/171083219.db2.gz IGZCJKHGXSLOFX-UHFFFAOYSA-N 1 0 293.823 2.869 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000020284435 171133433 /nfs/dbraw/zinc/13/34/33/171133433.db2.gz RJDOUSYOOIZENO-NSHDSACASA-N 1 0 273.302 2.997 50 0 CFAARO Cc1c(Cl)ccc(OCCC[NH2+]CCN(C)C)c1C ZINC000020418867 171184031 /nfs/dbraw/zinc/18/40/31/171184031.db2.gz WYEKXTYTTZXZGA-UHFFFAOYSA-N 1 0 284.831 2.877 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020477264 171220935 /nfs/dbraw/zinc/22/09/35/171220935.db2.gz UXMSPKCUDAERMG-CQSZACIVSA-N 1 0 280.799 2.532 50 0 CFAARO COC[C@H]1CCC[N@H+](C[C@@H](C)n2cnc3ccccc32)C1 ZINC000020515107 171232153 /nfs/dbraw/zinc/23/21/53/171232153.db2.gz QTJRTZZZOZKBGA-CABCVRRESA-N 1 0 287.407 2.956 50 0 CFAARO CCCOc1cccc(OCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020639518 171268708 /nfs/dbraw/zinc/26/87/08/171268708.db2.gz FXFXRIWWKCDPEW-HUUCEWRRSA-N 1 0 293.407 2.963 50 0 CFAARO CCCCOc1cccc(OCCN2CCOCC2)c1 ZINC000020639491 171268906 /nfs/dbraw/zinc/26/89/06/171268906.db2.gz MGXOIQSQRDSCJT-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO CCCOc1ccc(C[NH2+]C(C)(C)CO)cc1Cl ZINC000020925426 171280683 /nfs/dbraw/zinc/28/06/83/171280683.db2.gz YEODGRDGNKUNIV-UHFFFAOYSA-N 1 0 271.788 2.989 50 0 CFAARO CCCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000020931007 171281000 /nfs/dbraw/zinc/28/10/00/171281000.db2.gz LLXWTWKOXDQTNW-AWEZNQCLSA-N 1 0 279.380 2.753 50 0 CFAARO O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000022007340 171348580 /nfs/dbraw/zinc/34/85/80/171348580.db2.gz ARGCRCXTJMQKNA-KKUMJFAQSA-N 1 0 259.349 2.651 50 0 CFAARO c1ccc2c(c1)cccc2OCCCCN1CC[NH2+]CC1 ZINC000022385632 171386070 /nfs/dbraw/zinc/38/60/70/171386070.db2.gz WXKBMFXOQRGPNL-UHFFFAOYSA-N 1 0 284.403 2.904 50 0 CFAARO COc1ccc(C[NH+]2CCN(C)CC2)c2ccccc12 ZINC000022586724 171393419 /nfs/dbraw/zinc/39/34/19/171393419.db2.gz HSGRMOIVCZDVPU-UHFFFAOYSA-N 1 0 270.376 2.596 50 0 CFAARO OCC1CCN([C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000023374318 171420119 /nfs/dbraw/zinc/42/01/19/171420119.db2.gz IEHJVCCTRSSOHP-GOSISDBHSA-N 1 0 294.483 2.735 50 0 CFAARO Brc1cccc(COC[C@@H]2CCC[NH2+]C2)c1 ZINC000028521965 171561523 /nfs/dbraw/zinc/56/15/23/171561523.db2.gz LEAKUBJYBNFOFT-GFCCVEGCSA-N 1 0 284.197 2.965 50 0 CFAARO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c(OC)c1 ZINC000033467513 171805142 /nfs/dbraw/zinc/80/51/42/171805142.db2.gz MCYLYLQVTSBYAN-LMVHVUTASA-N 1 0 293.407 2.856 50 0 CFAARO Cc1cccc([C@H]2SCC(=O)N2CC[NH2+]C(C)C)c1 ZINC000035536517 172243774 /nfs/dbraw/zinc/24/37/74/172243774.db2.gz WZRWNMWTTLOJCG-OAHLLOKOSA-N 1 0 278.421 2.567 50 0 CFAARO C[C@H](CO)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000035602983 172291631 /nfs/dbraw/zinc/29/16/31/172291631.db2.gz FFORVYYRQNVMFQ-WDEREUQCSA-N 1 0 273.323 2.580 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]C2CCOCC2)cc1OC ZINC000036319515 172601007 /nfs/dbraw/zinc/60/10/07/172601007.db2.gz BOWWHNSJQQYHAM-LLVKDONJSA-N 1 0 265.353 2.533 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000037255550 173067069 /nfs/dbraw/zinc/06/70/69/173067069.db2.gz RBZJECFBVRYYAZ-BXUZGUMPSA-N 1 0 264.344 2.933 50 0 CFAARO COCCc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000037429278 173200006 /nfs/dbraw/zinc/20/00/06/173200006.db2.gz ORNKYCNFOMLIQR-HNNXBMFYSA-N 1 0 263.381 2.787 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1 ZINC000037487702 173230064 /nfs/dbraw/zinc/23/00/64/173230064.db2.gz FAABNEUFMRZEEQ-CYBMUJFWSA-N 1 0 278.371 2.820 50 0 CFAARO CCCN(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000037538984 173258427 /nfs/dbraw/zinc/25/84/27/173258427.db2.gz URNAVLIQFLHZMY-UHFFFAOYSA-N 1 0 250.361 2.790 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)OCC(F)(F)F)c1cccs1 ZINC000038342075 174139995 /nfs/dbraw/zinc/13/99/95/174139995.db2.gz YJKNLRWUWVTTNY-MRVPVSSYSA-N 1 0 296.314 2.639 50 0 CFAARO Cc1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000038580791 174148741 /nfs/dbraw/zinc/14/87/41/174148741.db2.gz CYXHQIKLVXGQHG-SNVBAGLBSA-N 1 0 270.170 2.746 50 0 CFAARO Cc1ccc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)cc1 ZINC000039478327 174168793 /nfs/dbraw/zinc/16/87/93/174168793.db2.gz QZUZILAQYPEBEU-GOSISDBHSA-N 1 0 290.451 2.520 50 0 CFAARO C[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000040007878 174182558 /nfs/dbraw/zinc/18/25/58/174182558.db2.gz SFGVXXIRTPCRIM-MCIONIFRSA-N 1 0 252.402 2.508 50 0 CFAARO Cc1ccc2[nH]c(C(=O)NCC(C)(C)C[NH+](C)C)cc2c1 ZINC000040052316 174185779 /nfs/dbraw/zinc/18/57/79/174185779.db2.gz LBEZPUQSZHZMCZ-UHFFFAOYSA-N 1 0 287.407 2.794 50 0 CFAARO Cc1cc(F)ccc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000040103538 174190677 /nfs/dbraw/zinc/19/06/77/174190677.db2.gz JMOJLLDIIPYASC-UHFFFAOYSA-N 1 0 293.386 2.988 50 0 CFAARO O=C1Nc2ccccc2[C@]12CC[NH2+][C@@H]2c1cccc(F)c1 ZINC000040266213 174218083 /nfs/dbraw/zinc/21/80/83/174218083.db2.gz NBKCFZMTICAELA-WBVHZDCISA-N 1 0 282.318 2.750 50 0 CFAARO Cc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c(C)o1 ZINC000040490379 174291737 /nfs/dbraw/zinc/29/17/37/174291737.db2.gz WAGACEXKNXVTAI-UHFFFAOYSA-N 1 0 278.396 2.841 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000040624781 174356463 /nfs/dbraw/zinc/35/64/63/174356463.db2.gz KGHVFZLXTHPKDT-ZDUSSCGKSA-N 1 0 285.391 2.628 50 0 CFAARO COCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000040729429 174388398 /nfs/dbraw/zinc/38/83/98/174388398.db2.gz YKBJUKGCJZLTME-UHFFFAOYSA-N 1 0 287.787 2.872 50 0 CFAARO OC1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000043585567 175071900 /nfs/dbraw/zinc/07/19/00/175071900.db2.gz YWCISANRKJWTHG-UHFFFAOYSA-N 1 0 275.270 2.542 50 0 CFAARO CCNC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000044292022 175160179 /nfs/dbraw/zinc/16/01/79/175160179.db2.gz WNLGCNGDLBEHNM-GFCCVEGCSA-N 1 0 256.349 2.627 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)no1 ZINC000044590995 175212455 /nfs/dbraw/zinc/21/24/55/175212455.db2.gz OUMPSPIBDLDRRK-CVEARBPZSA-N 1 0 272.348 2.854 50 0 CFAARO Cc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000045945416 175387953 /nfs/dbraw/zinc/38/79/53/175387953.db2.gz YKCBXWJJDWPCHE-UHFFFAOYSA-N 1 0 256.349 2.949 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc(F)c1 ZINC000046858522 175399794 /nfs/dbraw/zinc/39/97/94/175399794.db2.gz GJVNXXFSNUQZHM-NSHDSACASA-N 1 0 282.334 2.569 50 0 CFAARO CCOc1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000058195937 175610793 /nfs/dbraw/zinc/61/07/93/175610793.db2.gz HTUPOGGGXAJBDN-CQSZACIVSA-N 1 0 290.407 2.545 50 0 CFAARO Cc1cccc2cc(C(=O)NCC[NH+]3CCCCC3)oc21 ZINC000058391583 175622572 /nfs/dbraw/zinc/62/25/72/175622572.db2.gz DUFRTOMEXCRRHL-UHFFFAOYSA-N 1 0 286.375 2.957 50 0 CFAARO COc1cc2c(cc1C[NH2+]Cc1cccnc1)O[C@H](C)C2 ZINC000060806722 175640707 /nfs/dbraw/zinc/64/07/07/175640707.db2.gz SZYFXDPUIKJMJC-GFCCVEGCSA-N 1 0 284.359 2.703 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1sc(C(C)C)nc1C ZINC000065407730 175731891 /nfs/dbraw/zinc/73/18/91/175731891.db2.gz MYZBIBYTKPWENG-UHFFFAOYSA-N 1 0 283.441 2.647 50 0 CFAARO CN(C)NCc1ccccc1OCCC[NH+]1CCCCC1 ZINC000067612805 175779400 /nfs/dbraw/zinc/77/94/00/175779400.db2.gz ICNNUSJUNVGOKR-UHFFFAOYSA-N 1 0 291.439 2.508 50 0 CFAARO CC(C)c1nc2n(n1)C[C@H]([NH2+]CCc1cccs1)CC2 ZINC000071871845 176283313 /nfs/dbraw/zinc/28/33/13/176283313.db2.gz AGWIKZIIQKJZFU-GFCCVEGCSA-N 1 0 290.436 2.610 50 0 CFAARO CC(C)(C)C[N@H+](CCCO)Cc1cn2ccsc2n1 ZINC000071897106 176292488 /nfs/dbraw/zinc/29/24/88/176292488.db2.gz GKZOBFSHFQIZEP-UHFFFAOYSA-N 1 0 281.425 2.626 50 0 CFAARO CC[C@H](C)NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000071919814 176299973 /nfs/dbraw/zinc/29/99/73/176299973.db2.gz SNVIQEZPEVIMIF-KKUMJFAQSA-N 1 0 283.460 2.842 50 0 CFAARO C[C@H](C1CC1)[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000071921549 176300973 /nfs/dbraw/zinc/30/09/73/176300973.db2.gz RTAJWLIATTVDJQ-OLZOCXBDSA-N 1 0 282.428 2.974 50 0 CFAARO Cc1cc(CN2CC([N@H+]3CCCC[C@H]3C)C2)oc1C ZINC000072139027 176322769 /nfs/dbraw/zinc/32/27/69/176322769.db2.gz CYSAJXJRDLCGFT-CYBMUJFWSA-N 1 0 262.397 2.955 50 0 CFAARO OCCC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072145032 176324715 /nfs/dbraw/zinc/32/47/15/176324715.db2.gz VYNBPOKKDRISCR-HNNXBMFYSA-N 1 0 265.372 2.853 50 0 CFAARO c1ccc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)nc1 ZINC000072146190 176325186 /nfs/dbraw/zinc/32/51/86/176325186.db2.gz YEAPWTMMUYDOGG-QGZVFWFLSA-N 1 0 283.375 2.658 50 0 CFAARO Cc1cc(N2CCC[C@H]([NH3+])CC2)nc(-c2ccccc2)n1 ZINC000072159065 176329415 /nfs/dbraw/zinc/32/94/15/176329415.db2.gz WQRXWVKIAVESLO-HNNXBMFYSA-N 1 0 282.391 2.770 50 0 CFAARO CN1C[C@@]2(CCC[N@H+](Cc3ccsc3)CC2)OC1=O ZINC000072174138 176333804 /nfs/dbraw/zinc/33/38/04/176333804.db2.gz SUWJWJRKNDSDFD-AWEZNQCLSA-N 1 0 280.393 2.555 50 0 CFAARO CC[C@H](c1ccccc1)[NH+]1CCN([C@@H](CC)CO)CC1 ZINC000072304954 176366068 /nfs/dbraw/zinc/36/60/68/176366068.db2.gz UMWPNUHHAFMJTM-DLBZAZTESA-N 1 0 276.424 2.526 50 0 CFAARO C[N@@H+]1CCN(C(=O)C[C@H]2C=CCC2)C2(CCCCC2)C1 ZINC000072306714 176366390 /nfs/dbraw/zinc/36/63/90/176366390.db2.gz FMGFIMVYJIIKQO-HNNXBMFYSA-N 1 0 276.424 2.820 50 0 CFAARO O=C(C[N@@H+]1CC[C@@H]1Cc1ccccc1)N1CCCCCC1 ZINC000072311983 176367452 /nfs/dbraw/zinc/36/74/52/176367452.db2.gz HRGSICGNQYNWJT-QGZVFWFLSA-N 1 0 286.419 2.706 50 0 CFAARO CC[C@@H](CNc1cc(C)nc2c(C)c(C)nn21)[N@H+](C)CC ZINC000072432553 176402778 /nfs/dbraw/zinc/40/27/78/176402778.db2.gz RANPUAVRXYXUEM-AWEZNQCLSA-N 1 0 289.427 2.797 50 0 CFAARO COc1ccc(-n2ccnc2SCC[NH+](C)C)cc1 ZINC000075504053 176723132 /nfs/dbraw/zinc/72/31/32/176723132.db2.gz TVIZVRPGFSJRFO-UHFFFAOYSA-N 1 0 277.393 2.535 50 0 CFAARO FC(F)c1cc([C@H]2C[NH2+]C[C@H]2c2ccccc2)[nH]n1 ZINC000077010737 177146146 /nfs/dbraw/zinc/14/61/46/177146146.db2.gz SMJGPBCAXUSGBL-QWRGUYRKSA-N 1 0 263.291 2.818 50 0 CFAARO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000077319246 177251755 /nfs/dbraw/zinc/25/17/55/177251755.db2.gz DIEQHCMZDRIAPJ-ZDUSSCGKSA-N 1 0 289.404 2.577 50 0 CFAARO c1ncn(C[C@H]([NH2+]Cc2ccccc2)c2ccccc2)n1 ZINC000077404744 177263478 /nfs/dbraw/zinc/26/34/78/177263478.db2.gz PAMRLZGODMJGKY-KRWDZBQOSA-N 1 0 278.359 2.809 50 0 CFAARO Oc1cccc(C[NH2+][C@H]2CCN(c3ccccc3)C2)c1 ZINC000078604197 177359215 /nfs/dbraw/zinc/35/92/15/177359215.db2.gz GNJGFFNPVKHNGY-HNNXBMFYSA-N 1 0 268.360 2.761 50 0 CFAARO COCCOc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000078656910 177367199 /nfs/dbraw/zinc/36/71/99/177367199.db2.gz YAQDZMHZIZUOMW-QGZVFWFLSA-N 1 0 299.370 2.935 50 0 CFAARO CC(C)=CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000014708399 260083080 /nfs/dbraw/zinc/08/30/80/260083080.db2.gz CDTVEPVAVQUNHX-UHFFFAOYSA-N 1 0 272.392 2.847 50 0 CFAARO [NH3+][C@H]1[C@H]2C=C[C@H](C2)[C@H]1c1nc(-c2c[nH]c3ccccc23)n[nH]1 ZINC000827544937 782037629 /nfs/dbraw/zinc/03/76/29/782037629.db2.gz DSWRBSHVUHNGQL-MMDVMMEASA-N 1 0 291.358 2.570 50 0 CFAARO CC[C@@H]([NH2+][C@H](C)c1cccc2ccccc21)C(N)=O ZINC000079029496 273723049 /nfs/dbraw/zinc/72/30/49/273723049.db2.gz KCQMXCUWJLPFIV-IAQYHMDHSA-N 1 0 256.349 2.754 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cnccn2)C1 ZINC000241588210 274286538 /nfs/dbraw/zinc/28/65/38/274286538.db2.gz PAVPJDFTOOKOFZ-HUUCEWRRSA-N 1 0 274.412 2.567 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)[C@H]1C[NH3+] ZINC000070176592 274289016 /nfs/dbraw/zinc/28/90/16/274289016.db2.gz AMYZELFISSJGKH-RNCFNFMXSA-N 1 0 284.762 2.679 50 0 CFAARO OCCC[N@H+](Cc1ccncc1)[C@H]1CCc2ccccc21 ZINC000084581876 275045827 /nfs/dbraw/zinc/04/58/27/275045827.db2.gz GCICWRXGUUEBSW-SFHVURJKSA-N 1 0 282.387 2.954 50 0 CFAARO c1ccc2c(c1)oc1c2ncnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000024659728 275071729 /nfs/dbraw/zinc/07/17/29/275071729.db2.gz GPIJLLCANAXYFB-LBPRGKRZSA-N 1 0 294.358 2.660 50 0 CFAARO CC(C)(C)OC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000067800795 275827941 /nfs/dbraw/zinc/82/79/41/275827941.db2.gz XNNYFIMWBZGFIW-UHFFFAOYSA-N 1 0 268.401 2.918 50 0 CFAARO CC(C)CN1CCN(c2cc[nH+]c3ccccc32)[C@H](C)C1=O ZINC000170601061 275891310 /nfs/dbraw/zinc/89/13/10/275891310.db2.gz JKIZSKLDVCMIJU-CQSZACIVSA-N 1 0 297.402 2.928 50 0 CFAARO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]2CCCCO2)C1 ZINC000248089405 276236588 /nfs/dbraw/zinc/23/65/88/276236588.db2.gz LFJKGOXLRFGBGR-ARFHVFGLSA-N 1 0 296.455 2.572 50 0 CFAARO CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+](CC)CC ZINC000005910003 276547635 /nfs/dbraw/zinc/54/76/35/276547635.db2.gz IFKHXXQAKSJIOZ-CYBMUJFWSA-N 1 0 292.379 2.517 50 0 CFAARO CCc1nn(C)c2c1C(c1cccc(C)c1)=[NH+]CCN2 ZINC000028093232 276706021 /nfs/dbraw/zinc/70/60/21/276706021.db2.gz QZXNSANOILNMQE-UHFFFAOYSA-N 1 0 268.364 2.554 50 0 CFAARO C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000244601736 277073148 /nfs/dbraw/zinc/07/31/48/277073148.db2.gz DRDTZVQFUXXXKQ-HOCLYGCPSA-N 1 0 272.392 2.522 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[NH2+]2)C1 ZINC000091303636 277186768 /nfs/dbraw/zinc/18/67/68/277186768.db2.gz AZHAFTKTFKUDGE-QWHCGFSZSA-N 1 0 268.401 2.776 50 0 CFAARO CN1C[C@@H]([NH2+][C@H]2CCCCc3ccccc32)CCC1=O ZINC000084061470 277194949 /nfs/dbraw/zinc/19/49/49/277194949.db2.gz OMUNTCQHQWMMHX-HOCLYGCPSA-N 1 0 272.392 2.665 50 0 CFAARO C[NH2+]C[C@@H](c1ccc(OC)cc1)C1(O)CCCCC1 ZINC000021981408 277274938 /nfs/dbraw/zinc/27/49/38/277274938.db2.gz MKAFOJAJJMUXLW-HNNXBMFYSA-N 1 0 263.381 2.693 50 0 endogenous,world CFAARO C[NH2+]C[C@H](C)C(=O)N[C@H](c1cccc(OC)c1)C(C)(C)C ZINC000195543653 277281330 /nfs/dbraw/zinc/28/13/30/277281330.db2.gz UXUGYHUBNJUTLZ-SWLSCSKDSA-N 1 0 292.423 2.754 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000237315654 277283279 /nfs/dbraw/zinc/28/32/79/277283279.db2.gz GLECQIGASQUIRW-LLVKDONJSA-N 1 0 295.452 2.512 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]CCn1nc(C)c(Cl)c1C ZINC000065455895 277459261 /nfs/dbraw/zinc/45/92/61/277459261.db2.gz WUNFYLLHVKQFOI-JTQLQIEISA-N 1 0 287.835 2.947 50 0 CFAARO COC[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000012383422 277587323 /nfs/dbraw/zinc/58/73/23/277587323.db2.gz LPVYQFOPBZVATJ-STQMWFEESA-N 1 0 251.370 2.641 50 0 CFAARO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000095983704 277779486 /nfs/dbraw/zinc/77/94/86/277779486.db2.gz IWGLJBJSJNEISR-NWDGAFQWSA-N 1 0 294.361 2.812 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+]CC1(c2c(F)cccc2F)CC1 ZINC000090965280 278056395 /nfs/dbraw/zinc/05/63/95/278056395.db2.gz KMOYKGSKOPKFNX-GWCFXTLKSA-N 1 0 267.319 2.763 50 0 CFAARO C[C@@H](C[NH2+][C@@H](C)c1cc2ccccc2o1)CS(C)(=O)=O ZINC000096013958 278284326 /nfs/dbraw/zinc/28/43/26/278284326.db2.gz UKCUFTLWSGFYOA-RYUDHWBXSA-N 1 0 295.404 2.764 50 0 CFAARO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC(C(N)=O)CC1 ZINC000048838685 278307373 /nfs/dbraw/zinc/30/73/73/278307373.db2.gz QAHHQMUDQBSMBL-SECBINFHSA-N 1 0 284.762 2.737 50 0 CFAARO C[C@H]1CCC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000016989267 278341748 /nfs/dbraw/zinc/34/17/48/278341748.db2.gz ONEAULCOXYZRDK-ZDUSSCGKSA-N 1 0 252.402 2.557 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000020286168 278391252 /nfs/dbraw/zinc/39/12/52/278391252.db2.gz MRJDBVXBFHWXQC-NWDGAFQWSA-N 1 0 254.374 2.528 50 0 CFAARO Cc1cccc(C)c1OC1CN(c2cc[nH+]cc2)C1 ZINC000077320729 278917973 /nfs/dbraw/zinc/91/79/73/278917973.db2.gz IADATTZPPLOPFM-UHFFFAOYSA-N 1 0 254.333 2.966 50 0 CFAARO CCCc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000003683898 278985299 /nfs/dbraw/zinc/98/52/99/278985299.db2.gz OSMSNAJZFCSFBF-INIZCTEOSA-N 1 0 277.408 2.865 50 0 CFAARO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2)c(C)n1 ZINC000089614920 279157271 /nfs/dbraw/zinc/15/72/71/279157271.db2.gz IEPBTOKNMOPYOC-AAEUAGOBSA-N 1 0 298.390 2.771 50 0 CFAARO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000242292591 280094629 /nfs/dbraw/zinc/09/46/29/280094629.db2.gz YNODHIQYWCWQLK-OLZOCXBDSA-N 1 0 254.418 2.802 50 0 CFAARO CCCc1csc([C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000252714463 281077168 /nfs/dbraw/zinc/07/71/68/281077168.db2.gz SAWBXOOBAGSBFA-NWDGAFQWSA-N 1 0 252.383 2.631 50 0 CFAARO Cc1ccc2c(c1)ncn(CC[C@@H]1CCCC[N@H+]1C)c2=O ZINC000032587121 281132288 /nfs/dbraw/zinc/13/22/88/281132288.db2.gz YJGRTMGEZDVGDY-AWEZNQCLSA-N 1 0 285.391 2.579 50 0 CFAARO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000071792450 281367291 /nfs/dbraw/zinc/36/72/91/281367291.db2.gz WMIYRBTWSDFWHO-CQSZACIVSA-N 1 0 255.365 2.718 50 0 CFAARO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000195560417 290399335 /nfs/dbraw/zinc/39/93/35/290399335.db2.gz VQPBCXLSNVDNAQ-LSDHHAIUSA-N 1 0 267.413 2.694 50 0 CFAARO O=C(C[NH+]1CCCCCC1)N1CCC(C(F)(F)F)CC1 ZINC000827908330 782054751 /nfs/dbraw/zinc/05/47/51/782054751.db2.gz GQLGGGBTVUKYHG-UHFFFAOYSA-N 1 0 292.345 2.663 50 0 CFAARO O=C(NCc1cccs1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000827939365 782059168 /nfs/dbraw/zinc/05/91/68/782059168.db2.gz XVTDHCLQRXYHFN-UHFFFAOYSA-N 1 0 293.436 2.518 50 0 CFAARO CO[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000239654042 294484112 /nfs/dbraw/zinc/48/41/12/294484112.db2.gz BMLKPBJNXKZGNN-HJWJTTGWSA-N 1 0 277.408 2.903 50 0 CFAARO [NH3+][C@H]1CC[C@@H]([C@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)CC1 ZINC000244595110 295341215 /nfs/dbraw/zinc/34/12/15/295341215.db2.gz DOVGFVXOONLUGQ-ADEWGFFLSA-N 1 0 288.395 2.621 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000237544570 302167247 /nfs/dbraw/zinc/16/72/47/302167247.db2.gz UAZAJEGNUUXKDT-ZJIFWQFVSA-N 1 0 286.419 2.827 50 0 CFAARO C[C@H](NC(=O)CCC[NH+]1CCCC1)C1=CCCCC1 ZINC000827989696 782063956 /nfs/dbraw/zinc/06/39/56/782063956.db2.gz WEMMZXDUPIUJHQ-AWEZNQCLSA-N 1 0 264.413 2.868 50 0 CFAARO C[C@@H](Cn1ccnc1)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534586307 328315614 /nfs/dbraw/zinc/31/56/14/328315614.db2.gz WLBWUGALCCGEIP-HNNXBMFYSA-N 1 0 278.444 2.516 50 0 CFAARO CCc1nc(CC[NH2+][C@@H](C)CCn2ccnc2C)cs1 ZINC000534588828 328316800 /nfs/dbraw/zinc/31/68/00/328316800.db2.gz UJUYURIDVZQOSW-LBPRGKRZSA-N 1 0 292.452 2.821 50 0 CFAARO Clc1ccc(CC2([NH2+][C@H]3CCOC3)CC2)cc1 ZINC000534593169 328318969 /nfs/dbraw/zinc/31/89/69/328318969.db2.gz ZGVVRZMPEIVTKL-ZDUSSCGKSA-N 1 0 251.757 2.794 50 0 CFAARO O=C1CC[C@@H]([NH2+]C2(Cc3ccc(Cl)cc3)CC2)CCN1 ZINC000534633074 328332243 /nfs/dbraw/zinc/33/22/43/328332243.db2.gz CVZOLTXVDORWOS-CQSZACIVSA-N 1 0 292.810 2.673 50 0 CFAARO CCn1c(CC[NH2+][C@@H]2CCSC2)nc2ccccc21 ZINC000534636254 328333883 /nfs/dbraw/zinc/33/38/83/328333883.db2.gz NAMGLEZGDJDPPZ-GFCCVEGCSA-N 1 0 275.421 2.694 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CC(=O)NCCCOC1CCCCC1 ZINC000534648495 328343678 /nfs/dbraw/zinc/34/36/78/328343678.db2.gz OIKSYDBZVWECRF-OAHLLOKOSA-N 1 0 296.455 2.716 50 0 CFAARO CSC[C@@H](C)[NH2+]CCCc1nc2ccccc2n1C ZINC000534667861 328346104 /nfs/dbraw/zinc/34/61/04/328346104.db2.gz GAIFVZCIHOTDOH-GFCCVEGCSA-N 1 0 277.437 2.847 50 0 CFAARO CCCc1nc(CNC(=O)[C@@H]2CCCCC[N@@H+]2C)cs1 ZINC000534673815 328348982 /nfs/dbraw/zinc/34/89/82/328348982.db2.gz CIKSPSMLDALQBP-ZDUSSCGKSA-N 1 0 295.452 2.586 50 0 CFAARO Cc1cccc(Cl)c1OCCN1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000534661977 328350125 /nfs/dbraw/zinc/35/01/25/328350125.db2.gz COMBOSVDOBSZQN-AGGWBTHJSA-N 1 0 294.826 2.696 50 0 CFAARO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[NH3+] ZINC000195542443 324108278 /nfs/dbraw/zinc/10/82/78/324108278.db2.gz OQYLWMISLDRARR-CYBMUJFWSA-N 1 0 268.360 2.832 50 0 CFAARO c1ccc(Oc2cccc(OCCN3CC[NH2+]CC3)c2)cc1 ZINC000019369677 326854889 /nfs/dbraw/zinc/85/48/89/326854889.db2.gz RGVXKKDXUOXJAN-UHFFFAOYSA-N 1 0 298.386 2.763 50 0 CFAARO CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@H](C)C1 ZINC000071908771 327105899 /nfs/dbraw/zinc/10/58/99/327105899.db2.gz KHKHBMOJXSMUPN-HUUCEWRRSA-N 1 0 298.471 2.676 50 0 CFAARO CC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)C(C)C ZINC000036102227 327335640 /nfs/dbraw/zinc/33/56/40/327335640.db2.gz HUSATWGYVWHKHW-CQSZACIVSA-N 1 0 251.370 2.677 50 0 CFAARO CC(C)(C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261822975 518517314 /nfs/dbraw/zinc/51/73/14/518517314.db2.gz UCYDREJYABIKKT-AWEZNQCLSA-N 1 0 274.408 2.550 50 0 CFAARO COC(=O)c1oc([C@@H](C)[N@@H+]2CCCSCC2)cc1C ZINC000096490465 534379273 /nfs/dbraw/zinc/37/92/73/534379273.db2.gz DUPCFXYEGYEMJX-LLVKDONJSA-N 1 0 283.393 2.875 50 0 CFAARO CCC[NH+]1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000061782095 519858169 /nfs/dbraw/zinc/85/81/69/519858169.db2.gz RFWIVGIFAKOCEE-UHFFFAOYSA-N 1 0 280.387 2.622 50 0 CFAARO COC[C@@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000071267531 522423936 /nfs/dbraw/zinc/42/39/36/522423936.db2.gz GPEIHTROFPDVTC-YUMQZZPRSA-N 1 0 296.169 2.790 50 0 CFAARO COC1(C(=O)N[C@@H](C)CCC2CCCCC2)CC[NH2+]CC1 ZINC000159167284 522552866 /nfs/dbraw/zinc/55/28/66/522552866.db2.gz WFFLHEKVBXFYLC-AWEZNQCLSA-N 1 0 296.455 2.620 50 0 CFAARO COC1(C(=O)N[C@H](C)CCC2CCCCC2)CC[NH2+]CC1 ZINC000159167434 522554833 /nfs/dbraw/zinc/55/48/33/522554833.db2.gz WFFLHEKVBXFYLC-CQSZACIVSA-N 1 0 296.455 2.620 50 0 CFAARO C[N@H+](CCCOCc1ccccc1)C[C@H]1CCOC1 ZINC000182443984 522779722 /nfs/dbraw/zinc/77/97/22/522779722.db2.gz KGRROJASMWHASZ-MRXNPFEDSA-N 1 0 263.381 2.562 50 0 CFAARO Cc1ncc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c(C)n1 ZINC000096476347 534750416 /nfs/dbraw/zinc/75/04/16/534750416.db2.gz HJPZDZUFSZDIJC-FZMZJTMJSA-N 1 0 299.374 2.584 50 0 CFAARO c1cc2c(s1)CCN(CC[NH2+]Cc1ccccc1)C2 ZINC000049591398 526447110 /nfs/dbraw/zinc/44/71/10/526447110.db2.gz QPXBWJQEUBWJAX-UHFFFAOYSA-N 1 0 272.417 2.896 50 0 CFAARO Cc1oc(-c2cccc(Cl)c2)nc1CN1CC[C@@H]([NH3+])C1 ZINC000067982366 526734847 /nfs/dbraw/zinc/73/48/47/526734847.db2.gz PBSOCRBFIANLBY-CYBMUJFWSA-N 1 0 291.782 2.836 50 0 CFAARO O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052591 527231689 /nfs/dbraw/zinc/23/16/89/527231689.db2.gz QKNGAYKTPUEYRA-UHFFFAOYSA-N 1 0 284.334 2.653 50 0 CFAARO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000096486812 527358754 /nfs/dbraw/zinc/35/87/54/527358754.db2.gz VOGNNIWQYVLHLW-ZDUSSCGKSA-N 1 0 255.308 2.700 50 0 CFAARO CC(C)C[C@H]([NH2+]Cc1ccnn1C)c1ccccn1 ZINC000096476597 528572856 /nfs/dbraw/zinc/57/28/56/528572856.db2.gz KTEQYCIJZNCPNM-HNNXBMFYSA-N 1 0 258.369 2.692 50 0 CFAARO CCOc1cccnc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000096451168 528765497 /nfs/dbraw/zinc/76/54/97/528765497.db2.gz PDIDEEIRASDPTE-UHFFFAOYSA-N 1 0 299.374 2.794 50 0 CFAARO CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC)c1ccccn1 ZINC000225807796 528843659 /nfs/dbraw/zinc/84/36/59/528843659.db2.gz IXHZDLVPTWYMTB-HUUCEWRRSA-N 1 0 289.423 2.566 50 0 CFAARO CS[C@H](C)CC[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000216069210 570304862 /nfs/dbraw/zinc/30/48/62/570304862.db2.gz NTOMGOSYHQDJOM-CYBMUJFWSA-N 1 0 280.437 2.507 50 0 CFAARO [NH3+][C@@H]1Cc2ccc(-c3ccc(N4CCCC4)nc3)cc2C1 ZINC000935618381 649923214 /nfs/dbraw/zinc/92/32/14/649923214.db2.gz ODSCLSNANNDVNY-QGZVFWFLSA-N 1 0 279.387 2.775 50 0 CFAARO CCCN1CCC[C@@H]([NH2+]Cc2ccc(CC)cn2)C1 ZINC000952978794 614658641 /nfs/dbraw/zinc/65/86/41/614658641.db2.gz FKUMBQZLWPYPQQ-MRXNPFEDSA-N 1 0 261.413 2.608 50 0 CFAARO CCCN1C[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)CC1=O ZINC000952962236 614785843 /nfs/dbraw/zinc/78/58/43/614785843.db2.gz CJSGHAWERCTNTE-NSHDSACASA-N 1 0 284.762 2.580 50 0 CFAARO CCCCN(C(=O)[C@H]1CC[NH2+]1)C1CCCCCC1 ZINC000952990792 614947011 /nfs/dbraw/zinc/94/70/11/614947011.db2.gz ZEMQHHJEKBUIEH-CQSZACIVSA-N 1 0 252.402 2.700 50 0 CFAARO CCOc1ccc(C[N@@H+]2CC=C[C@@H]2CC)cc1CO ZINC000952986482 615510023 /nfs/dbraw/zinc/51/00/23/615510023.db2.gz YKYOKBOGQGRQLB-HNNXBMFYSA-N 1 0 261.365 2.728 50 0 CFAARO CC[C@H](C(=O)NCc1nc(C(C)(C)C)cs1)[N@H+](C)CC ZINC000952962326 615607672 /nfs/dbraw/zinc/60/76/72/615607672.db2.gz DOLGILWBTWJTHQ-LLVKDONJSA-N 1 0 297.468 2.787 50 0 CFAARO CCc1nc(C)c(CN(C)CC[C@@H](C)[NH+]2CCCC2)[nH]1 ZINC000952968475 615736500 /nfs/dbraw/zinc/73/65/00/615736500.db2.gz JYDBNRSGZIUENF-CYBMUJFWSA-N 1 0 278.444 2.587 50 0 CFAARO CCc1nc(C)c(C[NH2+]Cc2ccccc2-n2ccnc2)[nH]1 ZINC000952972762 615737445 /nfs/dbraw/zinc/73/74/45/615737445.db2.gz WADSHTHGEQSGKG-UHFFFAOYSA-N 1 0 295.390 2.756 50 0 CFAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCCC[C@@H]2CO)o1 ZINC000022077693 617961979 /nfs/dbraw/zinc/96/19/79/617961979.db2.gz QFFWDZSLUXPINE-GXTWGEPZSA-N 1 0 251.370 2.928 50 0 CFAARO O=C1Nc2ccccc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000072162760 618146885 /nfs/dbraw/zinc/14/68/85/618146885.db2.gz NODWTFQTXIVOEK-UHFFFAOYSA-N 1 0 293.370 2.568 50 0 CFAARO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000023375344 618454833 /nfs/dbraw/zinc/45/48/33/618454833.db2.gz JOBDNUMQKUHHRO-SFHVURJKSA-N 1 0 288.435 2.762 50 0 CFAARO CC(=O)c1cc(C(=O)N(C)C[C@H]2CCCC[N@@H+]2C)cs1 ZINC000019789586 618793115 /nfs/dbraw/zinc/79/31/15/618793115.db2.gz ADVHVSBIUUCWIU-CYBMUJFWSA-N 1 0 294.420 2.507 50 0 CFAARO Cc1cc(C[NH+]2CCC([C@H](O)CC(C)C)CC2)nc(C)n1 ZINC000020516070 618805427 /nfs/dbraw/zinc/80/54/27/618805427.db2.gz ZTSFISCCIFNFOA-QGZVFWFLSA-N 1 0 291.439 2.712 50 0 CFAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000004021868 618886644 /nfs/dbraw/zinc/88/66/44/618886644.db2.gz HRYONARCMQWNRK-HNRFISLBSA-N 1 0 264.413 2.876 50 0 CFAARO COCCC1(C[NH2+]Cc2cncnc2)CCCCC1 ZINC000185224982 618923695 /nfs/dbraw/zinc/92/36/95/618923695.db2.gz MTVOLTLFDVMRAG-UHFFFAOYSA-N 1 0 263.385 2.553 50 0 CFAARO O=C1C[C@H]([NH2+][C@@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098636 619132480 /nfs/dbraw/zinc/13/24/80/619132480.db2.gz MDXQXBPORFBZQZ-CVEARBPZSA-N 1 0 272.392 2.786 50 0 CFAARO O=C1C[C@@H]([NH2+][C@H](CC2CCC2)c2ccccc2)CCN1 ZINC000888098640 619132567 /nfs/dbraw/zinc/13/25/67/619132567.db2.gz MDXQXBPORFBZQZ-JKSUJKDBSA-N 1 0 272.392 2.786 50 0 CFAARO c1ccc(NCCC[NH2+][C@@H]2COCc3ncccc32)cc1 ZINC000888101020 619133385 /nfs/dbraw/zinc/13/33/85/619133385.db2.gz OBWAQEBCIROWQE-QGZVFWFLSA-N 1 0 283.375 2.745 50 0 CFAARO C[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H]([C@H](O)c2ccccc2)C1 ZINC000263593456 620160431 /nfs/dbraw/zinc/16/04/31/620160431.db2.gz BGKCTMYJKSVGSD-QRVBRYPASA-N 1 0 297.398 2.560 50 0 CFAARO Cn1c(C(=O)N2CC[NH2+]C(C)(C)C2)ccc1-c1ccccc1 ZINC000175410738 624950565 /nfs/dbraw/zinc/95/05/65/624950565.db2.gz NLVYMOUPDHEJRJ-UHFFFAOYSA-N 1 0 297.402 2.516 50 0 CFAARO CCCc1noc(CN2CCC([C@@H](O)CC(C)C)CC2)n1 ZINC000011813956 626190428 /nfs/dbraw/zinc/19/04/28/626190428.db2.gz ATKRELJXCGSLCD-AWEZNQCLSA-N 1 0 295.427 2.641 50 0 CFAARO COC1([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)CCCC1 ZINC000817578405 632668594 /nfs/dbraw/zinc/66/85/94/632668594.db2.gz VOTRLEZALDDTCG-TZMCWYRMSA-N 1 0 283.437 2.893 50 0 CFAARO c1cc(-c2ccc(N3CCCC3)nc2)cc2c1C[NH2+]C2 ZINC000863691759 637748151 /nfs/dbraw/zinc/74/81/51/637748151.db2.gz KCNULBRIYYRSQX-UHFFFAOYSA-N 1 0 265.360 2.952 50 0 CFAARO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000863982608 637831494 /nfs/dbraw/zinc/83/14/94/637831494.db2.gz VMZCDLGOWUEWCM-ZDUSSCGKSA-N 1 0 276.424 2.659 50 0 CFAARO C[C@H]([NH2+]CCCNc1ccccc1)c1cc[nH]c(=O)c1 ZINC000863982448 637832122 /nfs/dbraw/zinc/83/21/22/637832122.db2.gz LWVSELVVAQLDAV-ZDUSSCGKSA-N 1 0 271.364 2.940 50 0 CFAARO C[C@](O)(C[NH2+][C@H]1CCCC[C@H]1CCCO)c1ccsc1 ZINC000863984257 637832751 /nfs/dbraw/zinc/83/27/51/637832751.db2.gz PMCMFKSPSZRXEJ-BPUTZDHNSA-N 1 0 297.464 2.877 50 0 CFAARO C[C@H]([NH2+]CCCNC(=O)c1cccs1)c1ccns1 ZINC000863983656 637832802 /nfs/dbraw/zinc/83/28/02/637832802.db2.gz LHKCOYPZSUEERE-JTQLQIEISA-N 1 0 295.433 2.675 50 0 CFAARO CC1(O)CCC([NH2+]CCCNc2ccccc2)CC1 ZINC000863984353 637832903 /nfs/dbraw/zinc/83/29/03/637832903.db2.gz ULNPGJVKJPPNRK-UHFFFAOYSA-N 1 0 262.397 2.772 50 0 CFAARO O=C(C[NH+]1CCCCCC1)Nc1cccc(-c2c[nH]cn2)c1 ZINC000952969308 650790840 /nfs/dbraw/zinc/79/08/40/650790840.db2.gz IXLNYMRMZKQTLI-UHFFFAOYSA-N 1 0 298.390 2.891 50 0 CFAARO C[C@@H]1CN(c2ncncc2Cl)CC[N@@H+]1C1CCCC1 ZINC000952992950 650792884 /nfs/dbraw/zinc/79/28/84/650792884.db2.gz DOIDBPMFNQGHAW-LLVKDONJSA-N 1 0 280.803 2.583 50 0 CFAARO CCC[N@@H+](Cc1cc(C(C)=O)cn1C)C[C@@H]1CCCO1 ZINC000216088725 646524028 /nfs/dbraw/zinc/52/40/28/646524028.db2.gz AYCTWDOPAVIYKA-INIZCTEOSA-N 1 0 278.396 2.619 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccco1)c1ccsc1 ZINC000103416400 647494667 /nfs/dbraw/zinc/49/46/67/647494667.db2.gz AYDBMAMTZXPBJS-GXMNPTEKSA-N 1 0 290.388 2.773 50 0 CFAARO CCC[N@H+](CC1CC1)C1CCN(C(=O)OCC)CC1 ZINC000000757836 651113623 /nfs/dbraw/zinc/11/36/23/651113623.db2.gz KXUHIVPNGOEMDW-UHFFFAOYSA-N 1 0 268.401 2.729 50 0 CFAARO c1cc(-c2noc([C@H]3CCC[N@H+]4CCCC[C@H]34)n2)ccn1 ZINC000019336588 651289272 /nfs/dbraw/zinc/28/92/72/651289272.db2.gz MPCGGSJDQARUNW-UONOGXRCSA-N 1 0 284.363 2.864 50 0 CFAARO CNc1nc(N[C@@H]2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000133941350 770220023 /nfs/dbraw/zinc/22/00/23/770220023.db2.gz NJWUKHWAGJQLKP-CQSZACIVSA-N 1 0 268.364 2.796 50 0 CFAARO Fc1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000023634412 775531466 /nfs/dbraw/zinc/53/14/66/775531466.db2.gz IHJMUKBYPQUUEK-UHFFFAOYSA-N 1 0 267.344 2.707 50 0 CFAARO CCc1ccc(/C(C)=C/C(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000328596040 775754738 /nfs/dbraw/zinc/75/47/38/775754738.db2.gz OYBRJEBVWLTUQE-WSYSLRRZSA-N 1 0 286.419 2.720 50 0 CFAARO Cn1nc([C@H]2CCC[N@@H+]2Cc2ccccc2)c2c1CCOC2 ZINC000675010834 775982242 /nfs/dbraw/zinc/98/22/42/775982242.db2.gz JTRKNWCKXUYGIF-QGZVFWFLSA-N 1 0 297.402 2.830 50 0 CFAARO CCCn1ccc(C[NH2+]C[C@@](C)(CO)c2ccccc2)c1 ZINC000342238036 777970491 /nfs/dbraw/zinc/97/04/91/777970491.db2.gz XGHKNTLYHMBROG-SFHVURJKSA-N 1 0 286.419 2.938 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2(C)CC2)c(C)c1 ZINC000032577534 779064976 /nfs/dbraw/zinc/06/49/76/779064976.db2.gz DJEBNHZETASRGO-HUUCEWRRSA-N 1 0 277.408 2.821 50 0 CFAARO C[NH+](C)[C@H](CNc1ncnc2sccc21)c1ccccn1 ZINC000032593244 779073027 /nfs/dbraw/zinc/07/30/27/779073027.db2.gz DSXAZVZPTXUHQX-CYBMUJFWSA-N 1 0 299.403 2.801 50 0 CFAARO C([NH2+][C@@H]1CCCOC1)C1(N2CCCCC2)CCCC1 ZINC000820408722 781867421 /nfs/dbraw/zinc/86/74/21/781867421.db2.gz JMQQDOXEYUBWBX-OAHLLOKOSA-N 1 0 266.429 2.554 50 0 CFAARO CC(C)c1cnc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc1 ZINC000822273329 781896041 /nfs/dbraw/zinc/89/60/41/781896041.db2.gz PTGPIFHNKOPJMZ-CYBMUJFWSA-N 1 0 262.401 2.885 50 0 CFAARO C[NH+](C)CCCNc1ncnc2sc3c(c21)CCC3 ZINC000004071449 230368571 /nfs/dbraw/zinc/36/85/71/230368571.db2.gz ZWHCHODPTSZNJT-UHFFFAOYSA-N 1 0 276.409 2.544 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1ccc2ncccc2c1 ZINC000095511795 185001708 /nfs/dbraw/zinc/00/17/08/185001708.db2.gz GKEMPDRXVNCKRX-HNNXBMFYSA-N 1 0 298.390 2.841 50 0 CFAARO O=C(NCCC12CCC[NH+]1CCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000219866996 230397034 /nfs/dbraw/zinc/39/70/34/230397034.db2.gz ACDVYAHVXYOPPB-DLBZAZTESA-N 1 0 298.430 2.925 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)[NH2+]CC[C@H]12 ZINC000095707559 185018052 /nfs/dbraw/zinc/01/80/52/185018052.db2.gz XNMFFEJCPXOIHP-WMLDXEAASA-N 1 0 288.391 2.885 50 0 CFAARO CCOC(=O)CCC[n+]1ccc(-c2ccccc2)cc1 ZINC000095918076 185030943 /nfs/dbraw/zinc/03/09/43/185030943.db2.gz GLKCAQKNVAOSIZ-UHFFFAOYSA-N 1 0 270.352 2.984 50 0 CFAARO C[NH+]1CCC(NCc2ccccc2)(C(F)(F)F)CC1 ZINC000095942583 185036920 /nfs/dbraw/zinc/03/69/20/185036920.db2.gz VZCIBZSIBCMTEF-UHFFFAOYSA-N 1 0 272.314 2.803 50 0 CFAARO COc1ccc(C)cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000095946246 185037949 /nfs/dbraw/zinc/03/79/49/185037949.db2.gz XGISSRWMVSAJAD-UHFFFAOYSA-N 1 0 293.411 2.809 50 0 CFAARO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000095951791 185040321 /nfs/dbraw/zinc/04/03/21/185040321.db2.gz REQNEFAEKMHHTN-INIZCTEOSA-N 1 0 290.407 2.574 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)s1 ZINC000095968051 185046225 /nfs/dbraw/zinc/04/62/25/185046225.db2.gz JGDWDAMGKLPJSA-OLZOCXBDSA-N 1 0 269.410 2.903 50 0 CFAARO COC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cccn2)c1)C1CC1 ZINC000095968789 185047453 /nfs/dbraw/zinc/04/74/53/185047453.db2.gz XNJPYRDDKLVDJW-SUMWQHHRSA-N 1 0 285.391 2.948 50 0 CFAARO CCc1nncn1CC[NH2+][C@H]1CCSc2ccccc21 ZINC000095968731 185047747 /nfs/dbraw/zinc/04/77/47/185047747.db2.gz UZXCVMJADWKQAA-ZDUSSCGKSA-N 1 0 288.420 2.667 50 0 CFAARO CC[NH2+]Cc1ccccc1NC(=O)c1noc2c1CCCC2 ZINC000095971514 185048778 /nfs/dbraw/zinc/04/87/78/185048778.db2.gz XSGXXDTYHMYJLD-UHFFFAOYSA-N 1 0 299.374 2.915 50 0 CFAARO Cc1ncsc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000095978187 185051594 /nfs/dbraw/zinc/05/15/94/185051594.db2.gz NJMWCDHHGJCNBB-KOLCDFICSA-N 1 0 266.366 2.646 50 0 CFAARO COC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000095984965 185055707 /nfs/dbraw/zinc/05/57/07/185055707.db2.gz CYGMELKHHJQHRQ-WFASDCNBSA-N 1 0 285.334 2.811 50 0 CFAARO COC[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000095986723 185056186 /nfs/dbraw/zinc/05/61/86/185056186.db2.gz HIMHGVPDXZUKFT-CYBMUJFWSA-N 1 0 279.428 2.576 50 0 CFAARO CCC1([NH2+][C@H](C)c2ccc(C)c(S(N)(=O)=O)c2)CCC1 ZINC000095991498 185058780 /nfs/dbraw/zinc/05/87/80/185058780.db2.gz KIKVXOSJXRTKRN-GFCCVEGCSA-N 1 0 296.436 2.626 50 0 CFAARO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000095995906 185060711 /nfs/dbraw/zinc/06/07/11/185060711.db2.gz NTNAGVAPIIEPCV-WCQYABFASA-N 1 0 264.369 2.526 50 0 CFAARO CCOC(=O)[C@@H]1[C@H](C[N@H+](CCOC)[C@@H](C)C2CC2)C1(C)C ZINC000096009207 185063520 /nfs/dbraw/zinc/06/35/20/185063520.db2.gz IOTAGSUDDFIWCC-QEJZJMRPSA-N 1 0 297.439 2.569 50 0 CFAARO CSC[C@@H]1CCC[N@@H+]1Cc1nc(N)c2ccccc2n1 ZINC000096008394 185063637 /nfs/dbraw/zinc/06/36/37/185063637.db2.gz CBJSVGBKAAYUGD-NSHDSACASA-N 1 0 288.420 2.539 50 0 CFAARO CCc1nc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)co1 ZINC000096013677 185065280 /nfs/dbraw/zinc/06/52/80/185065280.db2.gz HMLMMPDZUTVDMI-ZDUSSCGKSA-N 1 0 293.411 2.621 50 0 CFAARO COc1ccc(Cc2cnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000096032190 185066968 /nfs/dbraw/zinc/06/69/68/185066968.db2.gz ZVNZTCUFOOKOJV-AWEZNQCLSA-N 1 0 258.321 2.699 50 0 CFAARO CC[N@H+](C)[C@@H](C)C(=O)NCC1(CC(C)C)CCC1 ZINC000823061389 781919535 /nfs/dbraw/zinc/91/95/35/781919535.db2.gz ZYMBBQFYHLHJIB-ZDUSSCGKSA-N 1 0 254.418 2.659 50 0 CFAARO Cc1n[nH]cc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096142265 185106438 /nfs/dbraw/zinc/10/64/38/185106438.db2.gz VMSABNXTFAUACC-UHFFFAOYSA-N 1 0 271.364 2.860 50 0 CFAARO CC[C@H](C(=O)NCc1c(F)cccc1Cl)[N@H+](C)CC ZINC000823061310 781919929 /nfs/dbraw/zinc/91/99/29/781919929.db2.gz DDFQQMULRIDURG-CYBMUJFWSA-N 1 0 286.778 2.826 50 0 CFAARO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2O)ccc1F ZINC000097032488 185155807 /nfs/dbraw/zinc/15/58/07/185155807.db2.gz WLUQUQJDNNPQAT-JKOKRWQUSA-N 1 0 267.344 2.646 50 0 CFAARO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000097033252 185155810 /nfs/dbraw/zinc/15/58/10/185155810.db2.gz LMRCFDATHYWCNR-AWEZNQCLSA-N 1 0 278.371 2.707 50 0 CFAARO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000097034795 185156947 /nfs/dbraw/zinc/15/69/47/185156947.db2.gz WISQZGWBYAHXPH-BMIGLBTASA-N 1 0 295.766 2.888 50 0 CFAARO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc(CO)c1 ZINC000097035119 185157586 /nfs/dbraw/zinc/15/75/86/185157586.db2.gz LURJPEGHAXEWQV-CXAGYDPISA-N 1 0 283.371 2.833 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)NC1CCCCC1)c1cccs1 ZINC000023105523 282241645 /nfs/dbraw/zinc/24/16/45/282241645.db2.gz GODNZZBPBRJKDL-CYBMUJFWSA-N 1 0 295.452 2.983 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069328469 539373423 /nfs/dbraw/zinc/37/34/23/539373423.db2.gz GJKZOCFGUZQGQU-DLBZAZTESA-N 1 0 272.392 2.662 50 0 CFAARO Cc1cc(OCc2cccc(C(=O)N(C)C)c2)cc(C)[nH+]1 ZINC000128142092 187353733 /nfs/dbraw/zinc/35/37/33/187353733.db2.gz MZONLTSQLYPTQG-UHFFFAOYSA-N 1 0 284.359 2.979 50 0 CFAARO Cc1nnc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)n1C ZINC000134261985 282315673 /nfs/dbraw/zinc/31/56/73/282315673.db2.gz RGLKFTWCBJZROP-HNNXBMFYSA-N 1 0 284.407 2.749 50 0 CFAARO C[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)[C@H]1CCCO1 ZINC000075093165 347054547 /nfs/dbraw/zinc/05/45/47/347054547.db2.gz YTXKYKPTAMTDPF-SWLSCSKDSA-N 1 0 271.364 2.734 50 0 CFAARO C[NH+](C)[C@H](CNc1nc(C(F)(F)F)cs1)C1CC1 ZINC000083847797 178753163 /nfs/dbraw/zinc/75/31/63/178753163.db2.gz YEGQQSBNMHKRER-MRVPVSSYSA-N 1 0 279.331 2.914 50 0 CFAARO c1csc(N2CCC([NH2+][C@H]3CCCSC3)CC2)n1 ZINC000097081074 185523614 /nfs/dbraw/zinc/52/36/14/185523614.db2.gz NCLFLAYJGSWTBW-LBPRGKRZSA-N 1 0 283.466 2.597 50 0 CFAARO Cn1c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc2ccccc21 ZINC000097307620 185582213 /nfs/dbraw/zinc/58/22/13/185582213.db2.gz CYPRIOSLIGGQAC-CABCVRRESA-N 1 0 269.392 2.505 50 0 CFAARO CC(C)c1cccc(OCCCC[NH2+]CCO)c1 ZINC000002933279 346207277 /nfs/dbraw/zinc/20/72/77/346207277.db2.gz SXWXHOGSLCGTNT-UHFFFAOYSA-N 1 0 251.370 2.551 50 0 CFAARO Cc1ccc2cc(C)c(N3CC[NH+](C)CC3)nc2c1 ZINC000003110716 346207761 /nfs/dbraw/zinc/20/77/61/346207761.db2.gz NBSBYNMEAOUGCF-UHFFFAOYSA-N 1 0 255.365 2.603 50 0 CFAARO COc1cc(OC)cc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c1 ZINC000004031357 346209913 /nfs/dbraw/zinc/20/99/13/346209913.db2.gz NMEBYIBYZUPXFM-IKGGRYGDSA-N 1 0 291.391 2.660 50 0 CFAARO CCc1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2n1 ZINC000004951422 346210636 /nfs/dbraw/zinc/21/06/36/346210636.db2.gz XDMYHKHNMMFMBR-UHFFFAOYSA-N 1 0 297.406 2.732 50 0 CFAARO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCCCCC3)C2=O)cc1 ZINC000019794569 346241939 /nfs/dbraw/zinc/24/19/39/346241939.db2.gz LQZVRFDQJKASSG-HNNXBMFYSA-N 1 0 286.375 2.503 50 0 CFAARO c1ccc2c(c1)N=C(N1CC[NH2+]CC1)c1ccccc1N2 ZINC000036458066 346323889 /nfs/dbraw/zinc/32/38/89/346323889.db2.gz JCBYXNSOLUVGTF-UHFFFAOYSA-N 1 0 278.359 2.727 50 0 in-vitro CFAARO O=C(C1CCCC1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473151 179077972 /nfs/dbraw/zinc/07/79/72/179077972.db2.gz VIKUDQVXGQNRFV-OAHLLOKOSA-N 1 0 296.480 2.607 50 0 CFAARO CCCCC[NH+](CCCCC)Cn1cnc(C(=O)OC)n1 ZINC000066350551 346755570 /nfs/dbraw/zinc/75/55/70/346755570.db2.gz RKIQUAOILXVLOU-UHFFFAOYSA-N 1 0 296.415 2.705 50 0 CFAARO CC(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(Cl)o2)[C@@H](C)C1 ZINC000076057445 347117767 /nfs/dbraw/zinc/11/77/67/347117767.db2.gz XFWVNZWFMLNEFS-AAEUAGOBSA-N 1 0 298.814 2.916 50 0 CFAARO Clc1ccc2nc(N3CCC[NH2+]CC3)sc2c1 ZINC000000066233 282525596 /nfs/dbraw/zinc/52/55/96/282525596.db2.gz UZLJYDCBJULBQU-UHFFFAOYSA-N 1 0 267.785 2.749 50 0 CFAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2csc(C)n2)C1 ZINC000079020762 347285437 /nfs/dbraw/zinc/28/54/37/347285437.db2.gz BMZBEFCUGUJMTP-SRBZOADZSA-N 1 0 286.466 2.621 50 0 CFAARO Cc1oc(C(C)C)cc1C(=O)N1C[C@H]2[C@H](C[NH+](C)C)[C@H]2C1 ZINC000102115008 185770618 /nfs/dbraw/zinc/77/06/18/185770618.db2.gz QMANUFJNYAKTCK-QKDCVEJESA-N 1 0 290.407 2.591 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2C)[C@H](C)C1 ZINC000089686448 347526937 /nfs/dbraw/zinc/52/69/37/347526937.db2.gz ADAPTOTVYCVSLU-CXAGYDPISA-N 1 0 274.408 2.650 50 0 CFAARO CC(C)=CCC[C@@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000090662529 347553862 /nfs/dbraw/zinc/55/38/62/347553862.db2.gz HOTYMJMLPHMVKU-CQSZACIVSA-N 1 0 255.402 2.500 50 0 CFAARO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000093613462 347680983 /nfs/dbraw/zinc/68/09/83/347680983.db2.gz VMPAYBWKKNSWLH-GJZGRUSLSA-N 1 0 295.448 2.808 50 0 CFAARO FC(F)(F)[C@H]1CCCn2c(C[NH2+]C3CCCC3)nnc21 ZINC000095402045 347697769 /nfs/dbraw/zinc/69/77/69/347697769.db2.gz QQUOKQGIGMGKPT-JTQLQIEISA-N 1 0 288.317 2.750 50 0 CFAARO Cc1cccc([C@H](O)C[NH2+][C@H]2CCCSC2)c1 ZINC000097370973 347708666 /nfs/dbraw/zinc/70/86/66/347708666.db2.gz AUMRBVHWBZDACR-UONOGXRCSA-N 1 0 251.395 2.514 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)CCOCC1 ZINC000097373449 347709282 /nfs/dbraw/zinc/70/92/82/347709282.db2.gz TVMKBKBNVNWSCN-BFHYXJOUSA-N 1 0 255.402 2.596 50 0 CFAARO Cc1cc([C@@H](C)[NH2+]CC(=O)N2CCC(C)CC2)c(C)o1 ZINC000097373918 347709640 /nfs/dbraw/zinc/70/96/40/347709640.db2.gz AXUSUCLNXATUFN-CYBMUJFWSA-N 1 0 278.396 2.806 50 0 CFAARO OC[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000121368936 347811253 /nfs/dbraw/zinc/81/12/53/347811253.db2.gz OQNQUUSLCAQSRM-XOKHGSTOSA-N 1 0 259.393 2.685 50 0 CFAARO CC(=O)NCC[NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000119599239 539587780 /nfs/dbraw/zinc/58/77/80/539587780.db2.gz RVEQHLLKJKHPPP-XOKHGSTOSA-N 1 0 274.408 2.685 50 0 CFAARO CCN(CC)C(=O)c1cccc(C2CC[NH2+]CC2)c1 ZINC000149952352 347954123 /nfs/dbraw/zinc/95/41/23/347954123.db2.gz CAOCVPWLIMGJPF-UHFFFAOYSA-N 1 0 260.381 2.636 50 0 CFAARO CC(C)(C)SCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000156475021 347994196 /nfs/dbraw/zinc/99/41/96/347994196.db2.gz JYLGVVUIOYHLKE-UHFFFAOYSA-N 1 0 273.442 2.793 50 0 CFAARO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccnc2ccccc21 ZINC000167720077 348046217 /nfs/dbraw/zinc/04/62/17/348046217.db2.gz OJIJRUOPHLDUJH-ZDUSSCGKSA-N 1 0 283.375 2.578 50 0 CFAARO CC(C)CC[N@H+](C1CCOCC1)C1CCN(C)CC1 ZINC000169752275 348052530 /nfs/dbraw/zinc/05/25/30/348052530.db2.gz XYRKROTVGHQIQX-UHFFFAOYSA-N 1 0 268.445 2.608 50 0 CFAARO C[C@@H](O)C1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000170088008 348053388 /nfs/dbraw/zinc/05/33/88/348053388.db2.gz SACXFDXVDRUABA-GDBMZVCRSA-N 1 0 281.440 2.961 50 0 CFAARO O[C@H](C[NH2+][C@@H]1CCCOc2cc(F)ccc21)c1ccco1 ZINC000170073227 348053457 /nfs/dbraw/zinc/05/34/57/348053457.db2.gz MUVOVEAYRGTMJS-ZIAGYGMSSA-N 1 0 291.322 2.956 50 0 CFAARO CNC(=O)CC1CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000170604352 348055886 /nfs/dbraw/zinc/05/58/86/348055886.db2.gz XFFCTUFNVLGGLL-GOEBONIOSA-N 1 0 278.440 2.827 50 0 CFAARO CN(C)c1noc(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000170606885 348056767 /nfs/dbraw/zinc/05/67/67/348056767.db2.gz QAYUETXDNPVGDD-UHFFFAOYSA-N 1 0 292.408 2.577 50 0 CFAARO C[N@H+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CCCO1 ZINC000193237260 348142348 /nfs/dbraw/zinc/14/23/48/348142348.db2.gz GACGVXJJNMGGLV-INIZCTEOSA-N 1 0 275.392 2.665 50 0 CFAARO CC(C)[C@H](NC(=O)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000195554906 348146045 /nfs/dbraw/zinc/14/60/45/348146045.db2.gz JACSAWZUPZJUBC-HNNXBMFYSA-N 1 0 296.361 2.778 50 0 CFAARO COc1ccc([C@@H]2C[C@H](C)C[N@@H+]2CCC2OCCO2)cc1 ZINC000195565960 348146826 /nfs/dbraw/zinc/14/68/26/348146826.db2.gz GMNKJOBJMRGVCS-BBRMVZONSA-N 1 0 291.391 2.841 50 0 CFAARO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229647500 348203183 /nfs/dbraw/zinc/20/31/83/348203183.db2.gz QHJVVSCIOFLWDT-GXTWGEPZSA-N 1 0 256.353 2.745 50 0 CFAARO CCCCn1c[n+](Cc2cccc(Cl)c2)cn1 ZINC000230518717 348206649 /nfs/dbraw/zinc/20/66/49/348206649.db2.gz IWGYOZCEGXFHNW-UHFFFAOYSA-N 1 0 250.753 2.672 50 0 CFAARO CCc1ccc(C[N@H+](C)C[C@H]2CC[C@H](O)CC2)nc1 ZINC000244691880 348250541 /nfs/dbraw/zinc/25/05/41/348250541.db2.gz JKRXRFWFROZWBE-KOMQPUFPSA-N 1 0 262.397 2.627 50 0 CFAARO OCC[C@@H]1CCC[C@H]1[NH2+][C@@H](c1cccs1)c1ncc[nH]1 ZINC000248830573 348277740 /nfs/dbraw/zinc/27/77/40/348277740.db2.gz FEXDOQCRQDNYEY-SCRDCRAPSA-N 1 0 291.420 2.701 50 0 CFAARO CC[C@H](C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000253370791 348300909 /nfs/dbraw/zinc/30/09/09/348300909.db2.gz WEJDQLLTRKFMFB-HBNTYKKESA-N 1 0 280.334 2.612 50 0 CFAARO CC[C@@H]1CCCC[C@H]1C[NH2+][C@H](C)c1ncn(C)n1 ZINC000401621577 348578054 /nfs/dbraw/zinc/57/80/54/348578054.db2.gz ROONUDKLYMYPNV-UPJWGTAASA-N 1 0 250.390 2.682 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000409421123 348600265 /nfs/dbraw/zinc/60/02/65/348600265.db2.gz LPKJCWJTKIGPFF-AWEZNQCLSA-N 1 0 273.336 2.570 50 0 CFAARO CCCn1cnnc1[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000584887660 348727552 /nfs/dbraw/zinc/72/75/52/348727552.db2.gz DLUYHSZTVCNZQY-GFCCVEGCSA-N 1 0 270.380 2.506 50 0 CFAARO CCOCC(=O)N(C)CC1([NH+]2CCCCC2)CCCCC1 ZINC000584888583 348727860 /nfs/dbraw/zinc/72/78/60/348727860.db2.gz GTIVGMMHOFUGFZ-UHFFFAOYSA-N 1 0 296.455 2.670 50 0 CFAARO CC[NH+](CC)CC1(n2cnc3cccc(C)c3c2=O)CC1 ZINC000584888358 348728318 /nfs/dbraw/zinc/72/83/18/348728318.db2.gz FXCZAZATEYKBHF-UHFFFAOYSA-N 1 0 285.391 2.536 50 0 CFAARO Cc1cccc2[nH]c(CC[NH2+][C@H]3CCCSC3)nc21 ZINC000584893109 348728895 /nfs/dbraw/zinc/72/88/95/348728895.db2.gz SHWBDFJUUZIESB-LBPRGKRZSA-N 1 0 275.421 2.899 50 0 CFAARO C[C@H](C(=O)N(C)Cc1cnc2ccccc2c1)[NH+]1CCCC1 ZINC000584891175 348729218 /nfs/dbraw/zinc/72/92/18/348729218.db2.gz AHCSPOIYQOWFBK-CQSZACIVSA-N 1 0 297.402 2.678 50 0 CFAARO Cc1cc(C)c(CN(C)C[C@H]2CCC[N@@H+]2C)c(C)c1CO ZINC000584894418 348730187 /nfs/dbraw/zinc/73/01/87/348730187.db2.gz QQSBTSQDGSKPEM-MRXNPFEDSA-N 1 0 290.451 2.630 50 0 CFAARO CCc1ccc2ncn(C3(C[NH+](CC)CC)CC3)c(=O)c2c1 ZINC000584898318 348731512 /nfs/dbraw/zinc/73/15/12/348731512.db2.gz JPLZTOVXODXYEI-UHFFFAOYSA-N 1 0 299.418 2.790 50 0 CFAARO Cc1cc(C)c(C[NH2+]C2CSCCSC2)cn1 ZINC000584900245 348731695 /nfs/dbraw/zinc/73/16/95/348731695.db2.gz NSLPTMHXDYNPMQ-UHFFFAOYSA-N 1 0 268.451 2.637 50 0 CFAARO Cc1nn(CC[NH2+][C@@H]2CCN(c3ccccc3)C2)c(C)c1C ZINC000584900419 348732207 /nfs/dbraw/zinc/73/22/07/348732207.db2.gz BUIMMGXEYMDXOY-QGZVFWFLSA-N 1 0 298.434 2.677 50 0 CFAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CSCCSC1 ZINC000584903093 348732638 /nfs/dbraw/zinc/73/26/38/348732638.db2.gz AZARKEFTJWHARC-VIFPVBQESA-N 1 0 285.482 2.536 50 0 CFAARO CCC1(CO)CC[NH+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC000584902419 348733024 /nfs/dbraw/zinc/73/30/24/348733024.db2.gz BHAZWVRASGDSSB-KRWDZBQOSA-N 1 0 288.435 2.750 50 0 CFAARO c1sc(CC[NH2+][C@@H]2CCOC2)nc1-c1ccccc1 ZINC000584904015 348733827 /nfs/dbraw/zinc/73/38/27/348733827.db2.gz NANXJRNSJNTNPC-CYBMUJFWSA-N 1 0 274.389 2.731 50 0 CFAARO Cc1csc(CN(C)C[C@@H]2COc3ccccc3O2)n1 ZINC000172451362 539693212 /nfs/dbraw/zinc/69/32/12/539693212.db2.gz GNIMIGUYKXZLAE-GFCCVEGCSA-N 1 0 290.388 2.723 50 0 CFAARO Cc1ccccc1C[C@@H](C)[NH2+]Cc1nncn1C(C)C ZINC000090038338 179908578 /nfs/dbraw/zinc/90/85/78/179908578.db2.gz NCUKFNWJHSBBHK-CQSZACIVSA-N 1 0 272.396 2.888 50 0 CFAARO CCSC[C@H](C)[N@H+](C)CCn1nc(C)cc1C ZINC000823421468 781928295 /nfs/dbraw/zinc/92/82/95/781928295.db2.gz LIHCKURLVCLPRH-ZDUSSCGKSA-N 1 0 255.431 2.573 50 0 CFAARO C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cnn(C)c1 ZINC000090772497 180037483 /nfs/dbraw/zinc/03/74/83/180037483.db2.gz GNTGVPBSHUUDQQ-LLVKDONJSA-N 1 0 279.771 2.803 50 0 CFAARO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849000 180045621 /nfs/dbraw/zinc/04/56/21/180045621.db2.gz YPGOSIAGXNUHLW-WBMJQRKESA-N 1 0 275.348 2.543 50 0 CFAARO COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000090909726 180062754 /nfs/dbraw/zinc/06/27/54/180062754.db2.gz UACHWTINOAXDQS-WOSRLPQWSA-N 1 0 263.381 2.641 50 0 CFAARO CCSc1ccccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135475 180104618 /nfs/dbraw/zinc/10/46/18/180104618.db2.gz RYCOGBQLRKFOQJ-NSHDSACASA-N 1 0 296.461 2.832 50 0 CFAARO O=C(OCc1ccccc1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000091302501 180129484 /nfs/dbraw/zinc/12/94/84/180129484.db2.gz ZYXDSFNOXAXADW-INIZCTEOSA-N 1 0 274.364 2.541 50 0 CFAARO Cc1cccc(C[N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)n1 ZINC000091320279 180133382 /nfs/dbraw/zinc/13/33/82/180133382.db2.gz GBHNPGQUSVQIKL-GOSISDBHSA-N 1 0 296.414 2.947 50 0 CFAARO [NH3+]CCOc1ccc(C[C@@H]2COc3ccccc3C2)cc1 ZINC000091289277 180122200 /nfs/dbraw/zinc/12/22/00/180122200.db2.gz UTOSNTLKAYIWSV-HNNXBMFYSA-N 1 0 283.371 2.818 50 0 CFAARO CCC[N@@H+]1CC[C@H](CNc2nnc(C3CC3)s2)C1 ZINC000091457274 180161028 /nfs/dbraw/zinc/16/10/28/180161028.db2.gz WSFMTMQBULSOIG-SNVBAGLBSA-N 1 0 266.414 2.559 50 0 CFAARO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000091378161 180144048 /nfs/dbraw/zinc/14/40/48/180144048.db2.gz GPORYBCAQMYEFS-HOTGVXAUSA-N 1 0 287.407 2.531 50 0 CFAARO Cc1cccc(Cn2ncnc2[C@@H](C)C[NH+]2CCCC2)c1 ZINC000091425955 180151956 /nfs/dbraw/zinc/15/19/56/180151956.db2.gz LIDKUXZENJEOQT-HNNXBMFYSA-N 1 0 284.407 2.834 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCNc1ncnc2cccc(F)c21 ZINC000091616808 180208662 /nfs/dbraw/zinc/20/86/62/180208662.db2.gz LTVCPQFLCRTUAV-NSHDSACASA-N 1 0 274.343 2.665 50 0 CFAARO CCOCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000091585570 180199492 /nfs/dbraw/zinc/19/94/92/180199492.db2.gz IODCYKKKGPODMI-ZWKOTPCHSA-N 1 0 288.435 2.619 50 0 CFAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(Cl)s1)C2 ZINC000091586862 180200678 /nfs/dbraw/zinc/20/06/78/180200678.db2.gz WMDBKUNHYZMLRV-WDEREUQCSA-N 1 0 270.829 2.928 50 0 CFAARO CCc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)nc1 ZINC000091593011 180201359 /nfs/dbraw/zinc/20/13/59/180201359.db2.gz MQMDIJVMDHUNKV-PKOBYXMFSA-N 1 0 299.462 2.950 50 0 CFAARO Cc1nonc1C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000091535647 180182282 /nfs/dbraw/zinc/18/22/82/180182282.db2.gz MAWLRMIBWHQHOC-MRXNPFEDSA-N 1 0 271.364 2.932 50 0 CFAARO Cc1cccc(CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C2CC2)c1 ZINC000091545910 180186282 /nfs/dbraw/zinc/18/62/82/180186282.db2.gz QEQREERQSJFVOG-GJZGRUSLSA-N 1 0 272.392 2.613 50 0 CFAARO CCc1nc(C)sc1C[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000091649850 180216324 /nfs/dbraw/zinc/21/63/24/180216324.db2.gz AXWQENVCTHYKRO-YGRLFVJLSA-N 1 0 268.426 2.607 50 0 CFAARO CC[N@H+](CCCCO)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091807960 180260904 /nfs/dbraw/zinc/26/09/04/180260904.db2.gz COBFJIKMWCTPNV-UHFFFAOYSA-N 1 0 292.354 2.674 50 0 CFAARO COCC[C@]1(O)CC[N@H+](CCCc2ccccc2)C[C@H]1C ZINC000091846702 180270608 /nfs/dbraw/zinc/27/06/08/180270608.db2.gz LLDJTKWOJKMVLS-SJLPKXTDSA-N 1 0 291.435 2.729 50 0 CFAARO Cc1noc(C)c1C[N@@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091943580 180290267 /nfs/dbraw/zinc/29/02/67/180290267.db2.gz AMJCHNYVBVTHDK-INIZCTEOSA-N 1 0 278.396 2.666 50 0 CFAARO CCc1[nH+]c(N)nc(N[C@@H](C)c2csc(C)n2)c1C ZINC000091965889 180294078 /nfs/dbraw/zinc/29/40/78/180294078.db2.gz DOVZKMGOVLKNTD-QMMMGPOBSA-N 1 0 277.397 2.868 50 0 CFAARO CCC[C@H]1CN(C(=O)c2c(O)ccc3ccccc32)C[C@@H]1[NH3+] ZINC000091873106 180278203 /nfs/dbraw/zinc/27/82/03/180278203.db2.gz OQWWJENNKPAEFO-ZFWWWQNUSA-N 1 0 298.386 2.745 50 0 CFAARO COCCC[C@]1(CO)CCC[N@@H+](C2CCCCC2)C1 ZINC000091908034 180284177 /nfs/dbraw/zinc/28/41/77/180284177.db2.gz USDFXODTIRKSRD-MRXNPFEDSA-N 1 0 269.429 2.820 50 0 CFAARO c1ccc([C@@H]2CCC[N@@H+](CCNc3ccncn3)C2)cc1 ZINC000092098449 180324798 /nfs/dbraw/zinc/32/47/98/180324798.db2.gz SWKPZZLRKVECGD-MRXNPFEDSA-N 1 0 282.391 2.768 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)C/C(C)=C/c2ccccc2)C1 ZINC000092101140 180325549 /nfs/dbraw/zinc/32/55/49/180325549.db2.gz QEHOGCUKJFBNBI-OTMARIDSSA-N 1 0 286.419 2.890 50 0 CFAARO C[N@H+](Cc1ccc([S@@](C)=O)cc1)CC(C)(C)C ZINC000092217716 180345634 /nfs/dbraw/zinc/34/56/34/180345634.db2.gz ICOWFYMUAWOKIW-KRWDZBQOSA-N 1 0 253.411 2.902 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccco2)C1 ZINC000106516573 186123483 /nfs/dbraw/zinc/12/34/83/186123483.db2.gz SKBVMUNSWDQPKD-DANTVBBOSA-N 1 0 276.380 2.529 50 0 CFAARO [NH3+]CCCOc1ccccc1CCc1cccnc1 ZINC000601008688 350644849 /nfs/dbraw/zinc/64/48/49/350644849.db2.gz OUDXUDLCJFNHFG-UHFFFAOYSA-N 1 0 256.349 2.594 50 0 CFAARO Cc1ccc(/C=C\C(=O)N(C)C2CC[NH2+]CC2)c(C)c1 ZINC000606441230 351270136 /nfs/dbraw/zinc/27/01/36/351270136.db2.gz AYXBECXKDCTULL-SREVYHEPSA-N 1 0 272.392 2.527 50 0 CFAARO COC1(C[NH2+]Cc2ccc(Cl)cc2C)CCOCC1 ZINC000130310291 187484879 /nfs/dbraw/zinc/48/48/79/187484879.db2.gz YMDGTHCQVRXQLG-UHFFFAOYSA-N 1 0 283.799 2.934 50 0 CFAARO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cnn(C)c1 ZINC000119703270 186845471 /nfs/dbraw/zinc/84/54/71/186845471.db2.gz IPQJNMWYLZLLFA-NTEUORMPSA-N 1 0 255.365 2.955 50 0 CFAARO CC1(C)[C@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1c1ccccc1 ZINC000122782688 187051193 /nfs/dbraw/zinc/05/11/93/187051193.db2.gz LCSUZIGEJFPQPI-JKSUJKDBSA-N 1 0 286.419 2.685 50 0 CFAARO Cc1nc2ccccc2nc1N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000227202087 539835527 /nfs/dbraw/zinc/83/55/27/539835527.db2.gz YYVWQRVXWOEFGD-XHDPSFHLSA-N 1 0 270.380 2.502 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)[C@H](C)CCc2ccccc2F)C1 ZINC000133143777 187669015 /nfs/dbraw/zinc/66/90/15/187669015.db2.gz DBRWICTUWIJLGZ-HIFRSBDPSA-N 1 0 292.398 2.605 50 0 CFAARO Cc1ccccc1-n1cc(CN(C)C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000215081848 539965657 /nfs/dbraw/zinc/96/56/57/539965657.db2.gz YRLCAOABOCOUMW-KRWDZBQOSA-N 1 0 298.434 2.707 50 0 CFAARO c1ccc(OCC[N@@H+]2CCOC3(CCCC3)C2)cc1 ZINC000158006534 188352123 /nfs/dbraw/zinc/35/21/23/188352123.db2.gz WVDPLMOLQFZKQE-UHFFFAOYSA-N 1 0 261.365 2.710 50 0 CFAARO O=C(Nc1cccc(O)c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000158668140 188388455 /nfs/dbraw/zinc/38/84/55/188388455.db2.gz MQSOYOXBDHYCRD-CYBMUJFWSA-N 1 0 288.391 2.985 50 0 CFAARO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](n3cnc4ccccc43)C2)CN1C ZINC000685939803 540020985 /nfs/dbraw/zinc/02/09/85/540020985.db2.gz NULNFUOUPJZLHE-OAGGEKHMSA-N 1 0 298.434 2.766 50 0 CFAARO CC(=O)NC1CC[NH+](C[C@H](C)c2ccc(C)cc2)CC1 ZINC000628158310 354451384 /nfs/dbraw/zinc/45/13/84/354451384.db2.gz KPGZTUICLLROND-AWEZNQCLSA-N 1 0 274.408 2.699 50 0 CFAARO c1ccc(CO[C@@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000169676299 188662059 /nfs/dbraw/zinc/66/20/59/188662059.db2.gz PTTUPMVBPBPMRO-OAHLLOKOSA-N 1 0 261.365 2.504 50 0 CFAARO Cc1nc(C)c(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC000628339060 354552641 /nfs/dbraw/zinc/55/26/41/354552641.db2.gz DIXMXTIYHSVHKT-AWEZNQCLSA-N 1 0 277.412 2.788 50 0 CFAARO CC(F)(F)COc1c(Br)cccc1C[NH3+] ZINC000585662092 540185731 /nfs/dbraw/zinc/18/57/31/540185731.db2.gz BULGXUDTJXXUPE-UHFFFAOYSA-N 1 0 280.112 2.942 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246984520 540189442 /nfs/dbraw/zinc/18/94/42/540189442.db2.gz MAZDZRYBPOFSBI-BPQIPLTHSA-N 1 0 298.430 2.795 50 0 CFAARO Cc1ccoc1C[NH2+][C@H]1CCN(C(=O)C(C)C)C[C@H]1C ZINC000084251197 540197891 /nfs/dbraw/zinc/19/78/91/540197891.db2.gz GVYFMJCPTYZEBP-KGLIPLIRSA-N 1 0 278.396 2.571 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)CCC2 ZINC000248201437 540262282 /nfs/dbraw/zinc/26/22/82/540262282.db2.gz YUVGCNFXSMGTCW-OUCADQQQSA-N 1 0 280.437 2.970 50 0 CFAARO NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000016156171 283326062 /nfs/dbraw/zinc/32/60/62/283326062.db2.gz OVXHCXQXXLLNRL-QZTJIDSGSA-N 1 0 294.398 2.778 50 0 CFAARO CC(C)[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc2c(c1)CCO2 ZINC000091306098 540392994 /nfs/dbraw/zinc/39/29/94/540392994.db2.gz IQEGURWIAQLNEV-QGZVFWFLSA-N 1 0 285.391 2.842 50 0 CFAARO [NH3+]CCCC(=O)N1Cc2ccccc2-c2ccccc2C1 ZINC000237909432 283429551 /nfs/dbraw/zinc/42/95/51/283429551.db2.gz TXAUVCCMVVHKQK-UHFFFAOYSA-N 1 0 280.371 2.935 50 0 CFAARO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000094254171 540444260 /nfs/dbraw/zinc/44/42/60/540444260.db2.gz JOLSTRVVOQCDRQ-YWXMQNBFSA-N 1 0 280.437 2.629 50 0 CFAARO Cc1ccc2cc(C[N@H+](C)C[C@H]3CCOC3)c(=O)[nH]c2c1 ZINC000823708594 781936656 /nfs/dbraw/zinc/93/66/56/781936656.db2.gz XODWCSMBEYGPMW-CYBMUJFWSA-N 1 0 286.375 2.717 50 0 CFAARO C[C@H]1[NH2+]CC2(CCCC2)c2cc3c(cc21)OCCO3 ZINC000009156385 291188697 /nfs/dbraw/zinc/18/86/97/291188697.db2.gz VNMIQBRRZLHKHH-LLVKDONJSA-N 1 0 259.349 2.934 50 0 CFAARO [NH3+]Cc1c(Br)ccc(Br)c1F ZINC000263623307 283525641 /nfs/dbraw/zinc/52/56/41/283525641.db2.gz GJZGUZBVEXBXIV-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO [NH3+]Cc1cc(Br)c(F)c(Br)c1 ZINC000263625432 283525729 /nfs/dbraw/zinc/52/57/29/283525729.db2.gz ZYALJNSNIVPOGU-UHFFFAOYSA-N 1 0 282.938 2.809 50 0 CFAARO CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCCN(C)C1)CCC2 ZINC000095420737 540724089 /nfs/dbraw/zinc/72/40/89/540724089.db2.gz ZAJDZFMQZHPJAV-RYUDHWBXSA-N 1 0 279.453 2.767 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)CCC2 ZINC000095422910 540724147 /nfs/dbraw/zinc/72/41/47/540724147.db2.gz YUVGCNFXSMGTCW-YRGRVCCFSA-N 1 0 280.437 2.970 50 0 CFAARO O=C1NCCC[C@H]1[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000095421384 540724457 /nfs/dbraw/zinc/72/44/57/540724457.db2.gz NRHQSLGVTGVHPH-VXGBXAGGSA-N 1 0 296.823 2.745 50 0 CFAARO O=C([C@@H]1CCC[N@H+](CC2CC2)C1)N1CCCCCC1 ZINC000095966905 540725730 /nfs/dbraw/zinc/72/57/30/540725730.db2.gz KQMZGONPICMGPF-OAHLLOKOSA-N 1 0 264.413 2.511 50 0 CFAARO Cc1ccsc1CN(C)C(=O)c1cccc2nccn21 ZINC000089702028 540719367 /nfs/dbraw/zinc/71/93/67/540719367.db2.gz QISHASOOECJGGM-UHFFFAOYSA-N 1 0 285.372 2.976 50 0 CFAARO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCc3sccc3C2)C1 ZINC000089840157 540719759 /nfs/dbraw/zinc/71/97/59/540719759.db2.gz AMXQNGVRUCIKAZ-CQSZACIVSA-N 1 0 292.448 2.611 50 0 CFAARO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1c(F)cccc1F ZINC000093739050 540723400 /nfs/dbraw/zinc/72/34/00/540723400.db2.gz MNSSCZZZQKMDIF-QWRGUYRKSA-N 1 0 255.308 2.558 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc2cc(C)ccc2nc1C ZINC000237132313 283563989 /nfs/dbraw/zinc/56/39/89/283563989.db2.gz UBURNIALLHQUEV-HNNXBMFYSA-N 1 0 297.402 2.676 50 0 CFAARO CC(C)(C)SCC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000252507284 540750519 /nfs/dbraw/zinc/75/05/19/540750519.db2.gz WFYOYBGKKVSUOY-QWHCGFSZSA-N 1 0 284.469 2.509 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 ZINC000178548435 189125854 /nfs/dbraw/zinc/12/58/54/189125854.db2.gz GWCNKJFGYANTAA-DTWDLQQISA-N 1 0 299.201 2.814 50 0 CFAARO Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179468504 189195881 /nfs/dbraw/zinc/19/58/81/189195881.db2.gz DJMLQVGAYZIVRL-BCMPFUBYSA-N 1 0 286.354 2.768 50 0 CFAARO Cc1ncc(Cc2ccccc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000299782884 200870078 /nfs/dbraw/zinc/87/00/78/200870078.db2.gz XVKJXDOUEHYDCI-HNNXBMFYSA-N 1 0 267.376 2.843 50 0 CFAARO c1c[nH]c(C[NH+]2CCC3(CCc4ccccc43)CC2)n1 ZINC000670428824 540990913 /nfs/dbraw/zinc/99/09/13/540990913.db2.gz GCSNFZPFRZVXFN-UHFFFAOYSA-N 1 0 267.376 2.890 50 0 CFAARO CSCC[C@@H](C)[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000670440472 540995888 /nfs/dbraw/zinc/99/58/88/540995888.db2.gz DXQAPZVDQWWPER-CQSZACIVSA-N 1 0 294.464 2.651 50 0 CFAARO Cc1nc2ccc(Cl)cn2c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000670444300 540996759 /nfs/dbraw/zinc/99/67/59/540996759.db2.gz NNGPUPYTCGWBSO-ZDUSSCGKSA-N 1 0 293.798 2.907 50 0 CFAARO C[N@H+](C[C@H]1CCCO1)C1CCN(c2ccccc2F)CC1 ZINC000670450059 540998762 /nfs/dbraw/zinc/99/87/62/540998762.db2.gz VUORPWZGTCPGSU-OAHLLOKOSA-N 1 0 292.398 2.905 50 0 CFAARO C[N@@H+](Cc1cnc(-c2cccs2)nc1)C[C@@H]1CCOC1 ZINC000670454159 541000294 /nfs/dbraw/zinc/00/02/94/541000294.db2.gz XFMMWGLSOAZRMB-LBPRGKRZSA-N 1 0 289.404 2.673 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 ZINC000041067583 283625829 /nfs/dbraw/zinc/62/58/29/283625829.db2.gz HCUBYONYRDROLU-VIFPVBQESA-N 1 0 273.163 2.557 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1C1CC1 ZINC000299739573 540984410 /nfs/dbraw/zinc/98/44/10/540984410.db2.gz QHMRSKNINZPGKP-TZMCWYRMSA-N 1 0 289.423 2.639 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000299740276 540984766 /nfs/dbraw/zinc/98/47/66/540984766.db2.gz XWLPDOVOLCZLJI-CMPLNLGQSA-N 1 0 278.421 2.825 50 0 CFAARO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000670460972 541003193 /nfs/dbraw/zinc/00/31/93/541003193.db2.gz YEPDCSXGMBNLGJ-CQSZACIVSA-N 1 0 258.365 2.761 50 0 CFAARO C[C@@H](COc1ccccc1)[NH2+]CCc1nc(C2CC2)no1 ZINC000670469342 541008163 /nfs/dbraw/zinc/00/81/63/541008163.db2.gz FQRMTHYDCIHCTL-LBPRGKRZSA-N 1 0 287.363 2.547 50 0 CFAARO CC/C(C)=C/CC[N@@H+](C)C[C@@H]1CC(=O)N(CC)C1 ZINC000670469958 541009010 /nfs/dbraw/zinc/00/90/10/541009010.db2.gz LMXGTPJBUWNXIN-CZAWJFPGSA-N 1 0 252.402 2.533 50 0 CFAARO Cn1ccnc1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000670470886 541009707 /nfs/dbraw/zinc/00/97/07/541009707.db2.gz LCHTYHDDLCTSQZ-MRXNPFEDSA-N 1 0 269.392 2.842 50 0 CFAARO Fc1ccc2c(c1)OCCC[C@H]2[NH2+]CCn1ccnc1 ZINC000181917043 189309980 /nfs/dbraw/zinc/30/99/80/189309980.db2.gz OGKXMEYUDPBIIB-CQSZACIVSA-N 1 0 275.327 2.526 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)CC2CCC2)C1 ZINC000216055421 189699649 /nfs/dbraw/zinc/69/96/49/189699649.db2.gz AVWFTKXZEXBOBZ-DLBZAZTESA-N 1 0 286.419 2.943 50 0 CFAARO COCC[C@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000268021984 541667332 /nfs/dbraw/zinc/66/73/32/541667332.db2.gz VZMDESVWMYINJL-HNNXBMFYSA-N 1 0 262.397 2.624 50 0 CFAARO C[NH+](C)C[C@@H](NC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000225790863 189764685 /nfs/dbraw/zinc/76/46/85/189764685.db2.gz MIHDZFVEYQSMNP-CQSZACIVSA-N 1 0 291.782 2.701 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000226458326 189775526 /nfs/dbraw/zinc/77/55/26/189775526.db2.gz VDGUYYDRKTUPQS-CJNGLKHVSA-N 1 0 277.408 2.775 50 0 CFAARO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000000200703 371556739 /nfs/dbraw/zinc/55/67/39/371556739.db2.gz JGHIAUKWFDEKRG-UHFFFAOYSA-N 1 0 271.316 2.714 50 0 CFAARO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@H]([NH3+])C1 ZINC000237080569 189862875 /nfs/dbraw/zinc/86/28/75/189862875.db2.gz CIXNZFVTIDTMET-GUOLPTJISA-N 1 0 284.359 2.568 50 0 CFAARO Clc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1 ZINC000000112709 371532571 /nfs/dbraw/zinc/53/25/71/371532571.db2.gz FVBMDOHBBQWMHA-UHFFFAOYSA-N 1 0 263.728 2.857 50 0 CFAARO O=C(Nc1ccccc1Cl)O[C@H]1C[NH+]2CCC1CC2 ZINC000000129706 371536860 /nfs/dbraw/zinc/53/68/60/371536860.db2.gz LGTXTMDJPFXCMX-ZDUSSCGKSA-N 1 0 280.755 2.983 50 0 CFAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1 ZINC000000128563 371537163 /nfs/dbraw/zinc/53/71/63/371537163.db2.gz CDESFTSRAZNPBO-UHFFFAOYSA-N 1 0 295.386 2.691 50 0 CFAARO O=C(OCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000000210733 371559760 /nfs/dbraw/zinc/55/97/60/371559760.db2.gz CXCAEQYXRJAKNT-UHFFFAOYSA-N 1 0 267.756 2.983 50 0 CFAARO C[C@@H](Cc1ccccc1F)[NH2+]C1CCC(O)CC1 ZINC000000216723 371560556 /nfs/dbraw/zinc/56/05/56/371560556.db2.gz SBLKPLDMCRTSKP-XGNXJENSSA-N 1 0 251.345 2.650 50 0 CFAARO CCC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000000217981 371561462 /nfs/dbraw/zinc/56/14/62/371561462.db2.gz UCXIMXZLKKUVOQ-UHFFFAOYSA-N 1 0 278.215 2.715 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000000228089 371562906 /nfs/dbraw/zinc/56/29/06/371562906.db2.gz ANRZOKKUGCVPCU-SECBINFHSA-N 1 0 258.159 2.574 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000000237916 371563813 /nfs/dbraw/zinc/56/38/13/371563813.db2.gz ACXKBSSRVBDYHM-HNNXBMFYSA-N 1 0 261.365 2.770 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000000238043 371564238 /nfs/dbraw/zinc/56/42/38/371564238.db2.gz HAJJREGFCZYOOJ-CYBMUJFWSA-N 1 0 265.328 2.601 50 0 CFAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3ccco3)CC2)C1 ZINC000000239056 371565019 /nfs/dbraw/zinc/56/50/19/371565019.db2.gz VIVZJZMYIFYJPB-KBPBESRZSA-N 1 0 276.380 2.616 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000000240335 371565800 /nfs/dbraw/zinc/56/58/00/371565800.db2.gz XZGLTDWPPLANGO-HNNXBMFYSA-N 1 0 263.381 2.529 50 0 CFAARO Cc1cc(C)nc(SCC[NH+]2CCCCC2)n1 ZINC000000271481 371575114 /nfs/dbraw/zinc/57/51/14/371575114.db2.gz NLPMHYDQVRNVFH-UHFFFAOYSA-N 1 0 251.399 2.671 50 0 CFAARO CCOC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000000278670 371577130 /nfs/dbraw/zinc/57/71/30/371577130.db2.gz AEYIWEAZRZVOOS-CYBMUJFWSA-N 1 0 251.370 2.618 50 0 CFAARO O[C@H](CC[N@@H+]1CCc2ccccc2C1)c1ccccn1 ZINC000001394505 371670094 /nfs/dbraw/zinc/67/00/94/371670094.db2.gz VLTAHNHVCYKZHV-QGZVFWFLSA-N 1 0 268.360 2.563 50 0 CFAARO CCN(CC)C(=O)Oc1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000000517526 371633954 /nfs/dbraw/zinc/63/39/54/371633954.db2.gz SIDDAWTXNURQHP-UHFFFAOYSA-N 1 0 275.352 2.510 50 0 CFAARO C[C@@H](C[NH2+]Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000001507926 371678601 /nfs/dbraw/zinc/67/86/01/371678601.db2.gz HRQIYSUCKIYEGG-HNNXBMFYSA-N 1 0 282.387 2.729 50 0 CFAARO C[C@H](C[NH+]1CCC(C)CC1)OC(=O)c1ccco1 ZINC000000808184 371650591 /nfs/dbraw/zinc/65/05/91/371650591.db2.gz WXZYQONZXMROSU-GFCCVEGCSA-N 1 0 251.326 2.557 50 0 CFAARO COc1cc2cccnc2c(N[C@H](C)CCC[NH3+])c1 ZINC000001530863 371679644 /nfs/dbraw/zinc/67/96/44/371679644.db2.gz INDBQLZJXZLFIT-LLVKDONJSA-N 1 0 259.353 2.783 50 0 fda CFAARO Cc1[nH]c2c(cc(Br)cc2F)c1CC[NH3+] ZINC000001235023 371661900 /nfs/dbraw/zinc/66/19/00/371661900.db2.gz ZXTLEYKPUYPREL-UHFFFAOYSA-N 1 0 271.133 2.879 50 0 CFAARO CC[NH+](CC)CC(=O)c1c[nH]c2ccc(OC)cc21 ZINC000002310375 371721383 /nfs/dbraw/zinc/72/13/83/371721383.db2.gz PANOAPDTHUARTD-UHFFFAOYSA-N 1 0 260.337 2.701 50 0 CFAARO CC[C@@H](C)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000002451875 371728279 /nfs/dbraw/zinc/72/82/79/371728279.db2.gz PIVHZCFAQJVQOQ-RISCZKNCSA-N 1 0 271.788 2.606 50 0 CFAARO c1ccc(COc2cccc(N3CC[NH2+]CC3)c2)cc1 ZINC000002527251 371733004 /nfs/dbraw/zinc/73/30/04/371733004.db2.gz PRIXVHNMFIDGKJ-UHFFFAOYSA-N 1 0 268.360 2.675 50 0 CFAARO CC[NH+](CC)CCOC(=O)c1ccc(Cl)cc1 ZINC000001634333 371690490 /nfs/dbraw/zinc/69/04/90/371690490.db2.gz YBWWQKVPBNGZPD-UHFFFAOYSA-N 1 0 255.745 2.839 50 0 CFAARO O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000002639152 371743617 /nfs/dbraw/zinc/74/36/17/371743617.db2.gz ZOLSBNMKZYHYDL-KRWDZBQOSA-N 1 0 253.345 2.778 50 0 CFAARO C[NH+](C)CCNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000002825417 371756806 /nfs/dbraw/zinc/75/68/06/371756806.db2.gz CEHJXMKJEJTESV-UHFFFAOYSA-N 1 0 296.414 2.886 50 0 CFAARO C[NH+](C)CCCNC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000002899324 371762593 /nfs/dbraw/zinc/76/25/93/371762593.db2.gz TWZZTFDWLZJSSG-GXSJLCMTSA-N 1 0 293.238 2.646 50 0 CFAARO C[NH+](C)CCCNC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000002899326 371762943 /nfs/dbraw/zinc/76/29/43/371762943.db2.gz TWZZTFDWLZJSSG-MWLCHTKSSA-N 1 0 293.238 2.646 50 0 CFAARO COc1cccc(OCCCC[NH2+]C[C@H]2CCCO2)c1 ZINC000002948224 371764363 /nfs/dbraw/zinc/76/43/63/371764363.db2.gz LQPJZWGEGLEZNX-MRXNPFEDSA-N 1 0 279.380 2.623 50 0 CFAARO COc1cccc(OC)c1OCCCC[NH+]1CCCC1 ZINC000002931693 371764376 /nfs/dbraw/zinc/76/43/76/371764376.db2.gz CCCLIUYHOSIBKD-UHFFFAOYSA-N 1 0 279.380 2.959 50 0 CFAARO COCC[NH2+]CCOc1ccc(C(C)C)c(C)c1 ZINC000003002154 371768201 /nfs/dbraw/zinc/76/82/01/371768201.db2.gz OHZAFAVPOPZMPE-UHFFFAOYSA-N 1 0 251.370 2.733 50 0 CFAARO CCCN(CCC[NH+](C)C)C(=N)C(Cl)(Cl)Cl ZINC000003170707 371776887 /nfs/dbraw/zinc/77/68/87/371776887.db2.gz PQLFENLMBGADRC-UHFFFAOYSA-N 1 0 288.650 2.998 50 0 CFAARO CCN1CC[N+](=C2C=C(N3CCCC3)CC(C)(C)C2)CC1 ZINC000003190747 371778767 /nfs/dbraw/zinc/77/87/67/371778767.db2.gz NDTWTCSBAUELPI-UHFFFAOYSA-N 1 0 290.475 2.575 50 0 CFAARO C[NH+](C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000003205104 371779643 /nfs/dbraw/zinc/77/96/43/371779643.db2.gz KUKQZFGQLWNHAT-QGZVFWFLSA-N 1 0 285.387 2.715 50 0 CFAARO COc1ccc([C@H](CC[NH3+])c2ccc3c(c2)OCO3)cc1 ZINC000004040780 371831007 /nfs/dbraw/zinc/83/10/07/371831007.db2.gz GLFPYQXFXMAJMD-HNNXBMFYSA-N 1 0 285.343 2.905 50 0 CFAARO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000003538696 371807876 /nfs/dbraw/zinc/80/78/76/371807876.db2.gz BQYNQENUUMEIMG-UHFFFAOYSA-N 1 0 260.381 2.974 50 0 CFAARO Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000003564639 371810335 /nfs/dbraw/zinc/81/03/35/371810335.db2.gz OADYZQLRFVTJNE-CYBMUJFWSA-N 1 0 260.381 2.974 50 0 CFAARO COc1ccc(-c2nc(C)c(CC[NH3+])s2)cc1OC ZINC000003883065 371822169 /nfs/dbraw/zinc/82/21/69/371822169.db2.gz ZLAFVZWHYLCUDA-UHFFFAOYSA-N 1 0 278.377 2.637 50 0 CFAARO CC(C)OC(=O)[C@H]1CC[NH2+][C@@H]1c1ccccc1Cl ZINC000004237879 371844388 /nfs/dbraw/zinc/84/43/88/371844388.db2.gz MHTYOLYFVGHNQI-WCQYABFASA-N 1 0 267.756 2.942 50 0 CFAARO O=C(OCc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000004290035 371847865 /nfs/dbraw/zinc/84/78/65/371847865.db2.gz JXLXDVBJLMHKSG-MRXNPFEDSA-N 1 0 288.391 2.883 50 0 CFAARO CCOc1ccc(C[NH2+]Cc2ccncc2)cc1OC ZINC000004413606 371855784 /nfs/dbraw/zinc/85/57/84/371855784.db2.gz MVWOKCKKKOGLIP-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO CCCCN(C)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000004535517 371862042 /nfs/dbraw/zinc/86/20/42/371862042.db2.gz WFKVJJRECIJYRV-UHFFFAOYSA-N 1 0 289.423 2.552 50 0 CFAARO C[N@@H+]1CCC[C@@H](OC(=O)Cc2ccc(Cl)cc2)C1 ZINC000004552873 371864148 /nfs/dbraw/zinc/86/41/48/371864148.db2.gz SLPZHFWOQAOAOR-CYBMUJFWSA-N 1 0 267.756 2.520 50 0 CFAARO Fc1ccc(Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC000004594054 371866559 /nfs/dbraw/zinc/86/65/59/371866559.db2.gz YUTPCJNQJBSNII-UHFFFAOYSA-N 1 0 270.351 2.826 50 0 CFAARO O=C(NCC[NH2+]C1CCCCCC1)c1ccccc1F ZINC000004680912 371873865 /nfs/dbraw/zinc/87/38/65/371873865.db2.gz SWOCVQJEUFVKFV-UHFFFAOYSA-N 1 0 278.371 2.868 50 0 CFAARO Cc1ccccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000010276745 371904241 /nfs/dbraw/zinc/90/42/41/371904241.db2.gz KSJXZJYRFLWKKC-UHFFFAOYSA-N 1 0 260.381 2.601 50 0 CFAARO CC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010434141 371908520 /nfs/dbraw/zinc/90/85/20/371908520.db2.gz CNJBJINBMJQCFA-ZDUSSCGKSA-N 1 0 260.381 2.811 50 0 CFAARO CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1ccccc1Cl ZINC000012034295 371943655 /nfs/dbraw/zinc/94/36/55/371943655.db2.gz HHZUAGDFJFRFHI-ZDUSSCGKSA-N 1 0 280.799 2.831 50 0 CFAARO c1ccc([C@@H]2[NH2+]CCc3cc4c(cc32)OCO4)cc1 ZINC000011599184 371921107 /nfs/dbraw/zinc/92/11/07/371921107.db2.gz VULHUUBBLOIXLT-INIZCTEOSA-N 1 0 253.301 2.650 50 0 CFAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccoc2)C1)NC1CC1 ZINC000011843700 371931650 /nfs/dbraw/zinc/93/16/50/371931650.db2.gz HSJIEFVNPYZTFV-CYBMUJFWSA-N 1 0 276.380 2.550 50 0 CFAARO Cc1cccc(C(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000012442788 371964694 /nfs/dbraw/zinc/96/46/94/371964694.db2.gz OYKIWEFPTAGLFH-UHFFFAOYSA-N 1 0 274.408 2.845 50 0 CFAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](C/C=C/C(C)C)C1 ZINC000012467102 371965411 /nfs/dbraw/zinc/96/54/11/371965411.db2.gz FVJKUTXXNMJBAM-JKNJVXJCSA-N 1 0 297.439 2.880 50 0 CFAARO [NH3+][C@@H](Cc1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000012957930 372001854 /nfs/dbraw/zinc/00/18/54/372001854.db2.gz RRQOQEWVYYPDPI-LBPRGKRZSA-N 1 0 255.296 2.945 50 0 CFAARO C/C=C/C=C/C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012730593 371982906 /nfs/dbraw/zinc/98/29/06/371982906.db2.gz HYZDDNDIURHURR-XPQLPGEHSA-N 1 0 284.403 2.900 50 0 CFAARO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)NCc1ccco1 ZINC000012905567 371996014 /nfs/dbraw/zinc/99/60/14/371996014.db2.gz DMLUTXFSUFMHAK-INIZCTEOSA-N 1 0 298.386 2.603 50 0 CFAARO Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCCC2)cc1 ZINC000012223525 371948348 /nfs/dbraw/zinc/94/83/48/371948348.db2.gz CMRWBZADBODHDN-ZDUSSCGKSA-N 1 0 261.369 2.601 50 0 CFAARO CC[NH+]1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000012229992 371949801 /nfs/dbraw/zinc/94/98/01/371949801.db2.gz DXIAOYPKZHEKCN-UHFFFAOYSA-N 1 0 265.357 2.577 50 0 CFAARO O=C(NCCC[NH+]1CCCCC1)Nc1ccccc1 ZINC000013676517 372040130 /nfs/dbraw/zinc/04/01/30/372040130.db2.gz MBQUMICBAWFROY-UHFFFAOYSA-N 1 0 261.369 2.684 50 0 CFAARO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013676484 372040154 /nfs/dbraw/zinc/04/01/54/372040154.db2.gz NEZLTEOWJPVMFM-UHFFFAOYSA-N 1 0 274.408 2.991 50 0 CFAARO CC(C)CC[C@@H](CC(=O)NCC[NH+](C)C)C(C)C ZINC000013686637 372041754 /nfs/dbraw/zinc/04/17/54/372041754.db2.gz GQHJFRIBWFUXPD-AWEZNQCLSA-N 1 0 256.434 2.763 50 0 CFAARO CCOc1ccccc1C[NH2+]CCCOC(C)C ZINC000013717971 372043353 /nfs/dbraw/zinc/04/33/53/372043353.db2.gz VXXOVLPDSNMZLE-UHFFFAOYSA-N 1 0 251.370 2.990 50 0 CFAARO CSc1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000013727850 372045204 /nfs/dbraw/zinc/04/52/04/372045204.db2.gz UMFGUPNZZNDYGV-UHFFFAOYSA-N 1 0 278.421 2.511 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1F)c1ccsc1 ZINC000013011148 372009800 /nfs/dbraw/zinc/00/98/00/372009800.db2.gz VIXBDQLAYZJWDL-CQSZACIVSA-N 1 0 292.379 2.920 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(F)c1)c1ccsc1 ZINC000013011167 372010946 /nfs/dbraw/zinc/01/09/46/372010946.db2.gz JGAGMGXPIXNDFN-AWEZNQCLSA-N 1 0 292.379 2.920 50 0 CFAARO C1=NN2C(=[NH+]C3=C(CCCC3)[C@H]2c2ccccc2)N1 ZINC000013124398 372014487 /nfs/dbraw/zinc/01/44/87/372014487.db2.gz XHKLBOSRVAECEX-CQSZACIVSA-N 1 0 252.321 2.774 50 0 CFAARO Cc1ccc(COC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016578587 372110473 /nfs/dbraw/zinc/11/04/73/372110473.db2.gz CTVNKDWSXDCUMW-SOLBZPMBSA-N 1 0 291.435 2.850 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC000016580422 372111941 /nfs/dbraw/zinc/11/19/41/372111941.db2.gz FHFPCSJABHDOEF-UHFFFAOYSA-N 1 0 282.334 2.569 50 0 CFAARO O=C(NC1CC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000016606987 372112694 /nfs/dbraw/zinc/11/26/94/372112694.db2.gz FCNZVQDCAILHJK-UHFFFAOYSA-N 1 0 292.810 2.831 50 0 CFAARO CCC[NH+]1CCC(NC(=O)CCC2CCCC2)CC1 ZINC000016605685 372113388 /nfs/dbraw/zinc/11/33/88/372113388.db2.gz ZUGCSMRWQYLPGF-UHFFFAOYSA-N 1 0 266.429 2.947 50 0 CFAARO COc1ccc(C[N@H+](C)C[C@@H](O)c2ccccc2)cc1 ZINC000016662608 372116754 /nfs/dbraw/zinc/11/67/54/372116754.db2.gz NJFPPZNECNORBX-QGZVFWFLSA-N 1 0 271.360 2.861 50 0 CFAARO Fc1cc(Br)ccc1OCC1CC[NH2+]CC1 ZINC000014631513 372072784 /nfs/dbraw/zinc/07/27/84/372072784.db2.gz BNVFVLKYGOOBGM-UHFFFAOYSA-N 1 0 288.160 2.967 50 0 CFAARO Cn1c(C[NH2+]Cc2ccncc2)cc2ccccc21 ZINC000016941690 372121453 /nfs/dbraw/zinc/12/14/53/372121453.db2.gz LOIVBKCFMIUART-UHFFFAOYSA-N 1 0 251.333 2.863 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000019361684 372157102 /nfs/dbraw/zinc/15/71/02/372157102.db2.gz FPTVJLWNSJEHSF-AWEZNQCLSA-N 1 0 262.397 2.611 50 0 CFAARO c1ccc(CCC[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000019371125 372158591 /nfs/dbraw/zinc/15/85/91/372158591.db2.gz CBIJCOBXRXLBPX-UHFFFAOYSA-N 1 0 295.430 2.832 50 0 CFAARO Cc1ccc(NC(=O)COc2ccc(CC[NH3+])cc2)cc1 ZINC000019402707 372160327 /nfs/dbraw/zinc/16/03/27/372160327.db2.gz AEZMXHBFACIRBV-UHFFFAOYSA-N 1 0 284.359 2.514 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC000019499942 372170592 /nfs/dbraw/zinc/17/05/92/372170592.db2.gz YQZVAOGNUPXXQN-AWEZNQCLSA-N 1 0 262.397 2.611 50 0 CFAARO C[N@@H+]1CCCN(Cc2ccc(Br)cc2)CC1 ZINC000019536278 372173072 /nfs/dbraw/zinc/17/30/72/372173072.db2.gz WQUWRVLHCKJAMG-UHFFFAOYSA-N 1 0 283.213 2.587 50 0 CFAARO CCc1ccc([C@@H]([NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000019968539 372218240 /nfs/dbraw/zinc/21/82/40/372218240.db2.gz NKOHNTVXLLKRLW-MRXNPFEDSA-N 1 0 289.400 2.701 50 0 CFAARO COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000019972664 372218494 /nfs/dbraw/zinc/21/84/94/372218494.db2.gz RFWKBJYHLUKBGF-UHFFFAOYSA-N 1 0 274.408 2.755 50 0 CFAARO CC[C@@H](C)c1ccccc1OCCC[NH2+]CCN ZINC000020118668 372231903 /nfs/dbraw/zinc/23/19/03/372231903.db2.gz GGBSNMSACQWJFC-CYBMUJFWSA-N 1 0 250.386 2.517 50 0 CFAARO COc1ccccc1OCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020118701 372232935 /nfs/dbraw/zinc/23/29/35/372232935.db2.gz SGZOVOBZCNFWSZ-GJZGRUSLSA-N 1 0 293.407 2.963 50 0 CFAARO ClC1=CC[C@@H]2C[N@H+](CCN3CCCCC3)C[C@@H]2C1 ZINC000020262778 372237136 /nfs/dbraw/zinc/23/71/36/372237136.db2.gz VBAVWASTSFNHBO-KGLIPLIRSA-N 1 0 268.832 2.937 50 0 CFAARO CN1CCC([N@H+](C)C[C@H]2CCc3ccccc3C2)CC1 ZINC000020869142 372239701 /nfs/dbraw/zinc/23/97/01/372239701.db2.gz QBUJSXWARQVSTN-HNNXBMFYSA-N 1 0 272.436 2.818 50 0 CFAARO CC(C)n1nccc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000019745932 372183637 /nfs/dbraw/zinc/18/36/37/372183637.db2.gz YECUOMCYPXJSBW-UHFFFAOYSA-N 1 0 299.422 2.936 50 0 CFAARO CC(C)[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019789147 372187962 /nfs/dbraw/zinc/18/79/62/372187962.db2.gz GUDBVFSMLGFDGT-UHFFFAOYSA-N 1 0 252.789 2.866 50 0 CFAARO CC(C)[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019788570 372188498 /nfs/dbraw/zinc/18/84/98/372188498.db2.gz UGXWZQVYKQSEEC-UHFFFAOYSA-N 1 0 297.240 2.975 50 0 CFAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(Cc2ccco2)CC1 ZINC000019842530 372197939 /nfs/dbraw/zinc/19/79/39/372197939.db2.gz OBEKVAIXWZADAK-ZBFHGGJFSA-N 1 0 262.397 2.976 50 0 CFAARO CC1CCC([NH+]2CCN(Cc3ccco3)CC2)CC1 ZINC000019842542 372197952 /nfs/dbraw/zinc/19/79/52/372197952.db2.gz HSLMEWBWHFEHLS-UHFFFAOYSA-N 1 0 262.397 2.976 50 0 CFAARO c1cc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)ccn1 ZINC000019900018 372203276 /nfs/dbraw/zinc/20/32/76/372203276.db2.gz VDWASQMZICMZDW-INIZCTEOSA-N 1 0 271.408 2.556 50 0 CFAARO COc1ccc(CC[NH2+][C@@H](C)c2cccnc2)cc1OC ZINC000019902444 372204665 /nfs/dbraw/zinc/20/46/65/372204665.db2.gz XTFAGFYJFIWDBI-ZDUSSCGKSA-N 1 0 286.375 2.992 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Cc1ccsc1)c1ccsc1 ZINC000025330086 372296362 /nfs/dbraw/zinc/29/63/62/372296362.db2.gz MBISHSYMGSBKFT-CYBMUJFWSA-N 1 0 294.445 2.771 50 0 CFAARO Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])cc1 ZINC000022200442 372243254 /nfs/dbraw/zinc/24/32/54/372243254.db2.gz RLAPHVKVTWWOCS-UONOGXRCSA-N 1 0 276.380 2.657 50 0 CFAARO C[NH2+]C1(c2nnnn2-c2c(C)cccc2C)CCC(C)CC1 ZINC000022437651 372246205 /nfs/dbraw/zinc/24/62/05/372246205.db2.gz HSYSMQJMZBLCKZ-UHFFFAOYSA-N 1 0 299.422 2.904 50 0 CFAARO CC(C)c1cccc(OC/C=C/CN2CC[NH2+]CC2)c1 ZINC000022916955 372247686 /nfs/dbraw/zinc/24/76/86/372247686.db2.gz ZIHUJAMRTJPAMM-ONEGZZNKSA-N 1 0 274.408 2.650 50 0 CFAARO CN(C)CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022942449 372248203 /nfs/dbraw/zinc/24/82/03/372248203.db2.gz RXDOMTSGQRPTKB-UHFFFAOYSA-N 1 0 284.403 2.917 50 0 CFAARO [NH3+]CCN[C@H](c1ccccc1)c1ccc(F)cc1F ZINC000022917533 372248946 /nfs/dbraw/zinc/24/89/46/372248946.db2.gz ONJDXVOXFYLMBZ-OAHLLOKOSA-N 1 0 262.303 2.603 50 0 CFAARO OC[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000023280919 372256533 /nfs/dbraw/zinc/25/65/33/372256533.db2.gz TUHUDOYDVMWEED-LBPRGKRZSA-N 1 0 289.297 2.790 50 0 CFAARO O=C1CCCN1CCC[NH2+]C1CCCCCCC1 ZINC000023283496 372258825 /nfs/dbraw/zinc/25/88/25/372258825.db2.gz FBSMCOYWXNSCDT-UHFFFAOYSA-N 1 0 252.402 2.701 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C1CCCC1)c1cccs1 ZINC000023623616 372262770 /nfs/dbraw/zinc/26/27/70/372262770.db2.gz KIHOZWCJFQKNDF-GFCCVEGCSA-N 1 0 266.410 2.657 50 0 CFAARO CCCC[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000023991701 372269402 /nfs/dbraw/zinc/26/94/02/372269402.db2.gz LPDSBSYGYYJIGF-UHFFFAOYSA-N 1 0 261.321 2.731 50 0 CFAARO Cc1cc(C)nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000024971196 372285076 /nfs/dbraw/zinc/28/50/76/372285076.db2.gz TWFMXVXYZOWKID-UHFFFAOYSA-N 1 0 262.401 2.815 50 0 CFAARO Cc1ccc(O)c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000024991109 372287612 /nfs/dbraw/zinc/28/76/12/372287612.db2.gz GJWLXDFFCWFOMD-UHFFFAOYSA-N 1 0 298.386 2.692 50 0 CFAARO C[C@H](CNC(=O)[C@@H]1CC=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025632479 372304966 /nfs/dbraw/zinc/30/49/66/372304966.db2.gz QLKATBRDSZLUFA-NVXWUHKLSA-N 1 0 298.430 2.906 50 0 CFAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccccn1 ZINC000025949799 372310463 /nfs/dbraw/zinc/31/04/63/372310463.db2.gz XGIPVSCGMKIUIU-KRWDZBQOSA-N 1 0 295.386 2.727 50 0 CFAARO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000026161641 372314040 /nfs/dbraw/zinc/31/40/40/372314040.db2.gz UFVHRDPNNDCPFW-IMJJTQAJSA-N 1 0 272.392 2.725 50 0 CFAARO C[C@H](CCc1ccccc1)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026160372 372314058 /nfs/dbraw/zinc/31/40/58/372314058.db2.gz IBNQRCALBCNVQY-PBHICJAKSA-N 1 0 282.387 2.824 50 0 CFAARO Cc1cc(C)nc(NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000026719870 372327336 /nfs/dbraw/zinc/32/73/36/372327336.db2.gz YGRJOOKTRNUCAV-CYBMUJFWSA-N 1 0 276.409 2.870 50 0 CFAARO Cc1ccc2nc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc(=O)n2c1 ZINC000027133535 372334282 /nfs/dbraw/zinc/33/42/82/372334282.db2.gz OUROPEJPFKZDNN-ZDUSSCGKSA-N 1 0 287.407 2.869 50 0 CFAARO C[C@@H]([NH2+]Cc1ccsc1)c1ccc2c(c1)NC(=O)CO2 ZINC000027221314 372336456 /nfs/dbraw/zinc/33/64/56/372336456.db2.gz NZYLCUYORJNDOH-SNVBAGLBSA-N 1 0 288.372 2.930 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C(C)(C)C)c1cccs1 ZINC000027679772 372346952 /nfs/dbraw/zinc/34/69/52/372346952.db2.gz IVMQVXZTBSZCAM-SNVBAGLBSA-N 1 0 254.399 2.513 50 0 CFAARO CCC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000027667641 372347378 /nfs/dbraw/zinc/34/73/78/372347378.db2.gz NPUFXSSOUNDUMW-INIZCTEOSA-N 1 0 290.407 2.748 50 0 CFAARO CC(C)[C@H](CNC(=O)Nc1ccc(F)cc1F)[NH+](C)C ZINC000032903039 372473594 /nfs/dbraw/zinc/47/35/94/372473594.db2.gz ZMTFKGWKUMOUHD-ZDUSSCGKSA-N 1 0 285.338 2.673 50 0 CFAARO Cc1cc(OC[C@@H](O)C[NH2+][C@@H](C)C2CC2)ccc1Cl ZINC000032597618 372448028 /nfs/dbraw/zinc/44/80/28/372448028.db2.gz FFPIEKXCBNEKRO-AAEUAGOBSA-N 1 0 283.799 2.776 50 0 CFAARO COc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)CC2(C)CC2)c1 ZINC000032590161 372448201 /nfs/dbraw/zinc/44/82/01/372448201.db2.gz KEDCLDWLRHMASR-KBPBESRZSA-N 1 0 293.407 2.603 50 0 CFAARO C[N@H+](Cc1cc(=O)n2ccccc2n1)C1CCCCCC1 ZINC000032858125 372470175 /nfs/dbraw/zinc/47/01/75/372470175.db2.gz LGPBKFRGOLQKFJ-UHFFFAOYSA-N 1 0 285.391 2.849 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COC1CCCC1 ZINC000035074990 372535655 /nfs/dbraw/zinc/53/56/55/372535655.db2.gz NEIQOMXRXOKOES-MJBXVCDLSA-N 1 0 255.402 2.569 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc2c(c1)CCCC2 ZINC000035055253 372535900 /nfs/dbraw/zinc/53/59/00/372535900.db2.gz RBKXDYYZRCZAQQ-CXAGYDPISA-N 1 0 286.419 2.885 50 0 CFAARO COc1ccc(C)cc1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000034717525 372513991 /nfs/dbraw/zinc/51/39/91/372513991.db2.gz NFAXSLSKADGONG-INIZCTEOSA-N 1 0 296.370 2.657 50 0 CFAARO O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccc(Cl)nc1 ZINC000097019673 284327646 /nfs/dbraw/zinc/32/76/46/284327646.db2.gz YJFBVLDVFDXNLR-UHFFFAOYSA-N 1 0 287.750 2.633 50 0 CFAARO Cn1cccc1C(=O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035018926 372530357 /nfs/dbraw/zinc/53/03/57/372530357.db2.gz NFNNGSVLJPULFU-ZIAGYGMSSA-N 1 0 260.381 2.720 50 0 CFAARO CC(C)CC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000036079477 372556608 /nfs/dbraw/zinc/55/66/08/372556608.db2.gz BTJAANLJUWQGBA-NSHDSACASA-N 1 0 254.399 2.513 50 0 CFAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000036172569 372566694 /nfs/dbraw/zinc/56/66/94/372566694.db2.gz AXJBZGIMGVPAQZ-SECBINFHSA-N 1 0 253.729 2.531 50 0 CFAARO Cc1nc([C@H](C)[NH2+]C2CCN(C(=O)C3CC3)CC2)cs1 ZINC000037142847 372655060 /nfs/dbraw/zinc/65/50/60/372655060.db2.gz ADOFRSWUSZPVCM-JTQLQIEISA-N 1 0 293.436 2.503 50 0 CFAARO [NH3+]Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000037750024 372697850 /nfs/dbraw/zinc/69/78/50/372697850.db2.gz ARPRABPLZJXOLM-GFCCVEGCSA-N 1 0 286.297 2.560 50 0 CFAARO CC[NH+]1CCN(c2cc(Oc3ccccc3C)ncn2)CC1 ZINC000037623890 372679038 /nfs/dbraw/zinc/67/90/38/372679038.db2.gz YMSJZADDMOILKH-UHFFFAOYSA-N 1 0 298.390 2.719 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000037648377 372685419 /nfs/dbraw/zinc/68/54/19/372685419.db2.gz IDSHXFJUBGWZMS-VXGBXAGGSA-N 1 0 287.329 2.616 50 0 CFAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000037856567 372725890 /nfs/dbraw/zinc/72/58/90/372725890.db2.gz DVCBYUGSCXPBMH-MRXNPFEDSA-N 1 0 275.323 2.658 50 0 CFAARO NC(=O)[C@@H]([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000037968885 372742138 /nfs/dbraw/zinc/74/21/38/372742138.db2.gz MKXQHDARFZDXFR-LBPRGKRZSA-N 1 0 297.196 2.508 50 0 CFAARO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)s1 ZINC000038002112 372759000 /nfs/dbraw/zinc/75/90/00/372759000.db2.gz NVAGHGPADPQEDU-YUMQZZPRSA-N 1 0 278.215 2.932 50 0 CFAARO Cc1cc(N2CCN(C(=O)C(C)C)CC2)c2ccccc2[nH+]1 ZINC000040489118 372784735 /nfs/dbraw/zinc/78/47/35/372784735.db2.gz LKATWLVXWQUYFT-UHFFFAOYSA-N 1 0 297.402 2.848 50 0 CFAARO CC[C@@H]([NH3+])c1noc(-c2cccc(Br)c2)n1 ZINC000041052492 372807499 /nfs/dbraw/zinc/80/74/99/372807499.db2.gz HQJSOHUGZZGDSF-SECBINFHSA-N 1 0 282.141 2.909 50 0 CFAARO CC(C)C(C[NH2+]C1CCC(S(C)(=O)=O)CC1)C(C)C ZINC000240278360 189902339 /nfs/dbraw/zinc/90/23/39/189902339.db2.gz DQQQBSYBBYJMKR-UHFFFAOYSA-N 1 0 289.485 2.860 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)CCC3)CCCC1 ZINC000042763389 372951306 /nfs/dbraw/zinc/95/13/06/372951306.db2.gz KTUXJCWPGDLADB-UHFFFAOYSA-N 1 0 286.419 2.780 50 0 CFAARO FC(F)(F)c1ccc(OCC[C@@H]2CCC[NH2+]C2)nc1 ZINC000042774198 372954907 /nfs/dbraw/zinc/95/49/07/372954907.db2.gz MYYIVOSHVKFMCL-JTQLQIEISA-N 1 0 274.286 2.869 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)OCC(F)(F)F)c1ccsc1 ZINC000048310038 373161454 /nfs/dbraw/zinc/16/14/54/373161454.db2.gz VAXMIQABVHULFE-SECBINFHSA-N 1 0 296.314 2.639 50 0 CFAARO CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048345003 373167111 /nfs/dbraw/zinc/16/71/11/373167111.db2.gz FKBIFNWFIJVMKG-KBPBESRZSA-N 1 0 274.408 2.801 50 0 CFAARO Cc1ccc(NC(=O)C2CC[NH+](CC(C)C)CC2)nc1 ZINC000048707536 373215749 /nfs/dbraw/zinc/21/57/49/373215749.db2.gz VGQINGJWAZCXCW-UHFFFAOYSA-N 1 0 275.396 2.697 50 0 CFAARO CC(C)[NH2+]C[C@H](O)CO[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000244983914 189915747 /nfs/dbraw/zinc/91/57/47/189915747.db2.gz IXLSSBPTUXEGSB-QXSJWSMHSA-N 1 0 271.445 2.823 50 0 CFAARO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000049516779 373306904 /nfs/dbraw/zinc/30/69/04/373306904.db2.gz DMZUHXNUIXORJL-CQSZACIVSA-N 1 0 275.396 2.848 50 0 CFAARO Brc1ccc(S[C@@H]2CC[NH2+]C2)cc1 ZINC000051784088 373410825 /nfs/dbraw/zinc/41/08/25/373410825.db2.gz UPSQZZUZDOKRFM-SNVBAGLBSA-N 1 0 258.184 2.903 50 0 CFAARO Cc1ccc(OC2CC[NH+](CCCO)CC2)cc1C ZINC000051992238 373424935 /nfs/dbraw/zinc/42/49/35/373424935.db2.gz GTBZNPVHXJKVHC-UHFFFAOYSA-N 1 0 263.381 2.529 50 0 CFAARO O[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000051999264 373428712 /nfs/dbraw/zinc/42/87/12/373428712.db2.gz ZSTFUORUQQNTBB-JSGCOSHPSA-N 1 0 289.404 2.598 50 0 CFAARO Cc1cc(N2CCC(Nc3ccccc3C)CC2)nc(N)[nH+]1 ZINC000050955476 373386776 /nfs/dbraw/zinc/38/67/76/373386776.db2.gz OVEIEQYNQSNAON-UHFFFAOYSA-N 1 0 297.406 2.757 50 0 CFAARO Cc1cccc(C2(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000053055455 373462722 /nfs/dbraw/zinc/46/27/22/373462722.db2.gz YBMDOAUFRURFGB-DLBZAZTESA-N 1 0 298.430 2.770 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC000054226649 373505936 /nfs/dbraw/zinc/50/59/36/373505936.db2.gz MICYARTYKFLPHK-YOEHRIQHSA-N 1 0 295.386 2.647 50 0 CFAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cnc(OC)nc1 ZINC000055414198 373551870 /nfs/dbraw/zinc/55/18/70/373551870.db2.gz WYNSBBWBBAEZPH-CYBMUJFWSA-N 1 0 286.379 2.681 50 0 CFAARO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000058424133 373657122 /nfs/dbraw/zinc/65/71/22/373657122.db2.gz LFDIQXNWYYONHD-HOTGVXAUSA-N 1 0 277.408 2.652 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)no1 ZINC000058074061 373625511 /nfs/dbraw/zinc/62/55/11/373625511.db2.gz INFATSXBKVCYBM-INIZCTEOSA-N 1 0 287.363 2.908 50 0 CFAARO O=C(Nc1ccccc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000058310679 373644721 /nfs/dbraw/zinc/64/47/21/373644721.db2.gz AUTAHHDYAYDJGM-LBPRGKRZSA-N 1 0 277.343 2.528 50 0 CFAARO CCc1ccc(C(=O)N2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000058309190 373644785 /nfs/dbraw/zinc/64/47/85/373644785.db2.gz OHUWUSGMFUDOFW-UHFFFAOYSA-N 1 0 272.392 2.559 50 0 CFAARO COc1c(C[NH2+][C@H]2CCc3ccccc32)c(C)nn1C ZINC000058393347 373654314 /nfs/dbraw/zinc/65/43/14/373654314.db2.gz MOMVZKVNQIEKRW-HNNXBMFYSA-N 1 0 271.364 2.514 50 0 CFAARO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000058524022 373660739 /nfs/dbraw/zinc/66/07/39/373660739.db2.gz HBNDWULGNINPDI-SJORKVTESA-N 1 0 286.419 2.923 50 0 CFAARO COCCC[N@H+](C)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000059487491 373680381 /nfs/dbraw/zinc/68/03/81/373680381.db2.gz CXBIKNOJKYZTCZ-ZDUSSCGKSA-N 1 0 291.313 2.707 50 0 CFAARO CC1CC[NH+](CCCNC(=O)c2cccc(F)c2)CC1 ZINC000061553540 373719331 /nfs/dbraw/zinc/71/93/31/373719331.db2.gz WLMRSQBAVJVHQG-UHFFFAOYSA-N 1 0 278.371 2.678 50 0 CFAARO Cc1nc(C(C)C)sc1C(=O)NCC[NH+]1CCCCC1 ZINC000060665912 373700590 /nfs/dbraw/zinc/70/05/90/373700590.db2.gz AJELFKARPCXJDE-UHFFFAOYSA-N 1 0 295.452 2.791 50 0 CFAARO C[N@@H+](Cc1cccn1-c1nccs1)C[C@@H]1CCCCO1 ZINC000065496211 373880222 /nfs/dbraw/zinc/88/02/22/373880222.db2.gz KRNYZATUBJQHKX-AWEZNQCLSA-N 1 0 291.420 2.935 50 0 CFAARO COCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065513985 373881384 /nfs/dbraw/zinc/88/13/84/373881384.db2.gz MRYWHGKILUUQSC-UHFFFAOYSA-N 1 0 291.370 2.727 50 0 CFAARO C[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)C[NH+]1CCCC1 ZINC000065522776 373883077 /nfs/dbraw/zinc/88/30/77/373883077.db2.gz DIWGQXUSJUOYQG-ZDUSSCGKSA-N 1 0 285.391 2.630 50 0 CFAARO O=C([C@@H]1CCCc2ccccc21)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000065595910 373891112 /nfs/dbraw/zinc/89/11/12/373891112.db2.gz WOKFBZXQLBMJOX-SJLPKXTDSA-N 1 0 298.430 2.803 50 0 CFAARO Fc1ccc(OCCCN2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000065622511 373896163 /nfs/dbraw/zinc/89/61/63/373896163.db2.gz GFLQFFCNZFWXBM-MRXNPFEDSA-N 1 0 292.398 2.765 50 0 CFAARO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)s1 ZINC000065286709 373852927 /nfs/dbraw/zinc/85/29/27/373852927.db2.gz COJFNBIVIKXDRG-GFCCVEGCSA-N 1 0 276.409 2.863 50 0 CFAARO CNC(=O)CC1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000065371735 373859057 /nfs/dbraw/zinc/85/90/57/373859057.db2.gz OIMKDYNPUONNOU-UHFFFAOYSA-N 1 0 297.402 2.583 50 0 CFAARO Cc1cc(C)nc(N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000065382760 373862098 /nfs/dbraw/zinc/86/20/98/373862098.db2.gz UJNIQWWQWGVBRT-HNNXBMFYSA-N 1 0 270.380 2.808 50 0 CFAARO CC(C)[C@@H]1C=CCN1c1nc(CC[NH3+])nc2ccccc21 ZINC000065395096 373863528 /nfs/dbraw/zinc/86/35/28/373863528.db2.gz VHPJBEGRYQIVKE-HNNXBMFYSA-N 1 0 282.391 2.532 50 0 CFAARO COCc1cc(C[NH2+][C@@H](C)CCc2ccccc2)[nH]n1 ZINC000065395305 373864074 /nfs/dbraw/zinc/86/40/74/373864074.db2.gz RCIAWSMHMBYSQQ-ZDUSSCGKSA-N 1 0 273.380 2.667 50 0 CFAARO CC[N@@H+](Cc1c(C)nn(C)c1Cl)CC1CCOCC1 ZINC000065387745 373864109 /nfs/dbraw/zinc/86/41/09/373864109.db2.gz KBUANDPNLSRYAB-UHFFFAOYSA-N 1 0 285.819 2.630 50 0 CFAARO Cc1noc(C)c1C[N@H+](C)C[C@@H]1CCOC(C)(C)C1 ZINC000065394656 373864456 /nfs/dbraw/zinc/86/44/56/373864456.db2.gz OIJVOKCOYPVZHI-CYBMUJFWSA-N 1 0 266.385 2.928 50 0 CFAARO C[C@H](c1ccncc1)[N@H+](C)Cc1cccc2nonc21 ZINC000065405251 373866542 /nfs/dbraw/zinc/86/65/42/373866542.db2.gz IJIWEBKXHXHXLQ-LLVKDONJSA-N 1 0 268.320 2.811 50 0 CFAARO C[C@H]([NH2+]C1CCCC1)c1nc(-c2ccncc2)no1 ZINC000065435496 373872741 /nfs/dbraw/zinc/87/27/41/373872741.db2.gz PLEOFQXLEMKBGW-JTQLQIEISA-N 1 0 258.325 2.725 50 0 CFAARO Cc1ccsc1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000065466915 373875275 /nfs/dbraw/zinc/87/52/75/373875275.db2.gz XMRZOCJAIOBCOM-CQSZACIVSA-N 1 0 294.464 2.980 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000065459187 373875965 /nfs/dbraw/zinc/87/59/65/373875965.db2.gz HPNGTHPBRARDOO-UHFFFAOYSA-N 1 0 288.370 2.616 50 0 CFAARO CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)C1CC1 ZINC000065473364 373876038 /nfs/dbraw/zinc/87/60/38/373876038.db2.gz WUKZGNWMPGUTLC-ZDUSSCGKSA-N 1 0 278.421 2.678 50 0 CFAARO CC(C)(C)OC(=O)N1CC[NH2+]CC[C@@H]1c1ccccc1 ZINC000066054979 373910266 /nfs/dbraw/zinc/91/02/66/373910266.db2.gz QRWXTRAEXJUHPC-CQSZACIVSA-N 1 0 276.380 2.958 50 0 CFAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C(C)C)cc2c1 ZINC000067692092 373994704 /nfs/dbraw/zinc/99/47/04/373994704.db2.gz ANUOXMDSMRLRSO-UHFFFAOYSA-N 1 0 274.364 2.767 50 0 CFAARO Cc1nc(C[NH2+][C@H](C)CCn2ccnc2C)cs1 ZINC000067740141 373996676 /nfs/dbraw/zinc/99/66/76/373996676.db2.gz KMVXMMZNQFQQIT-SNVBAGLBSA-N 1 0 264.398 2.525 50 0 CFAARO CCOc1ncccc1-c1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC000067755002 373999723 /nfs/dbraw/zinc/99/97/23/373999723.db2.gz BWXBJYROXDMVBW-UHFFFAOYSA-N 1 0 298.386 2.718 50 0 CFAARO Cc1cccnc1C[C@H](C)[NH2+]C1CCSCC1 ZINC000067774360 374001411 /nfs/dbraw/zinc/00/14/11/374001411.db2.gz CVRRHZJGVVAEHX-LBPRGKRZSA-N 1 0 250.411 2.806 50 0 CFAARO Cc1ccc(-c2nccn2CC[C@H]2CCC[N@H+]2C)o1 ZINC000067785953 374001624 /nfs/dbraw/zinc/00/16/24/374001624.db2.gz DSYONZZXIQDFQU-CYBMUJFWSA-N 1 0 259.353 2.936 50 0 CFAARO Cc1ccc(CN(C2CC2)[C@H]2CCC[NH2+]C2)s1 ZINC000067834168 374005907 /nfs/dbraw/zinc/00/59/07/374005907.db2.gz UPGFEIXZQFXLMG-ZDUSSCGKSA-N 1 0 250.411 2.773 50 0 CFAARO c1nnc(CC2CC[NH2+]CC2)n1-c1cccc2ccccc21 ZINC000067955153 374017335 /nfs/dbraw/zinc/01/73/35/374017335.db2.gz UNAWUDGDOHQCSP-UHFFFAOYSA-N 1 0 292.386 2.963 50 0 CFAARO Cc1nc[nH]c1CN(C)Cc1c[nH]nc1-c1ccccc1 ZINC000067966653 374018534 /nfs/dbraw/zinc/01/85/34/374018534.db2.gz IOVDNQIQBFQLHV-UHFFFAOYSA-N 1 0 281.363 2.740 50 0 CFAARO CCCCN(CCCC)C(=O)C1=CCC[N@H+](C)C1 ZINC000067340261 373976863 /nfs/dbraw/zinc/97/68/63/373976863.db2.gz ZDVCTWMAIPFLFG-UHFFFAOYSA-N 1 0 252.402 2.677 50 0 CFAARO CN(Cc1ccsc1)C(=O)CC[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000067459040 373978550 /nfs/dbraw/zinc/97/85/50/373978550.db2.gz IPMGOYWIOZLXME-OCCSQVGLSA-N 1 0 278.421 2.581 50 0 CFAARO Cc1ccc(F)cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067490869 373980623 /nfs/dbraw/zinc/98/06/23/373980623.db2.gz NEPSNXQPGBNAOI-INIZCTEOSA-N 1 0 291.370 2.742 50 0 CFAARO CC(C)c1nc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cs1 ZINC000067490391 373981767 /nfs/dbraw/zinc/98/17/67/373981767.db2.gz SPVWAJFIBDAIPM-GFCCVEGCSA-N 1 0 295.452 2.728 50 0 CFAARO Cc1ccc([C@@H](C)[N@H+](C)CC(=O)NCc2cccnc2)cc1 ZINC000069597294 374078781 /nfs/dbraw/zinc/07/87/81/374078781.db2.gz LEBYHMRFHRPOSR-OAHLLOKOSA-N 1 0 297.402 2.699 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1ccc(-n2ccnc2)cc1)n1cccn1 ZINC000069349721 374055382 /nfs/dbraw/zinc/05/53/82/374055382.db2.gz BGSKIYDTVOUFFD-LSDHHAIUSA-N 1 0 295.390 2.808 50 0 CFAARO CCC[NH+]1CCC(CNC(=O)COC2CCCCC2)CC1 ZINC000069348201 374055570 /nfs/dbraw/zinc/05/55/70/374055570.db2.gz VBJSVXNENYMAHW-UHFFFAOYSA-N 1 0 296.455 2.574 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)[C@@H](C)n2cccn2)o1 ZINC000069372223 374058228 /nfs/dbraw/zinc/05/82/28/374058228.db2.gz KZRZXZAYBXCIGL-QWHCGFSZSA-N 1 0 299.378 2.914 50 0 CFAARO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069416221 374060018 /nfs/dbraw/zinc/06/00/18/374060018.db2.gz OFZKNLACSBIPCF-HOCLYGCPSA-N 1 0 274.408 2.637 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccc(Cl)o2)c1 ZINC000069490087 374067685 /nfs/dbraw/zinc/06/76/85/374067685.db2.gz WWENRCTUNIGHEC-SNVBAGLBSA-N 1 0 253.733 2.616 50 0 CFAARO Cc1oc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000069659060 374082862 /nfs/dbraw/zinc/08/28/62/374082862.db2.gz VUPLHOKAFFESSJ-GJZGRUSLSA-N 1 0 290.407 2.904 50 0 CFAARO Cc1noc(C)c1CN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000069538297 374073013 /nfs/dbraw/zinc/07/30/13/374073013.db2.gz JUXWTWKJWRKKHU-OAHLLOKOSA-N 1 0 277.412 2.742 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccco1 ZINC000069901901 374109161 /nfs/dbraw/zinc/10/91/61/374109161.db2.gz PKSJFPMRHJWCKP-CVEARBPZSA-N 1 0 290.407 2.688 50 0 CFAARO COCCN1CC[N@@H+]([C@@H](C)CCc2ccccc2)C[C@H]1C ZINC000069976741 374114701 /nfs/dbraw/zinc/11/47/01/374114701.db2.gz WVOWAMIWMAHPIN-DLBZAZTESA-N 1 0 290.451 2.660 50 0 CFAARO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000070148935 374130273 /nfs/dbraw/zinc/13/02/73/374130273.db2.gz QRJNWSYUQUADCZ-QMMMGPOBSA-N 1 0 290.194 2.665 50 0 CFAARO O[C@@H](CN1CCC[C@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000069668342 374085574 /nfs/dbraw/zinc/08/55/74/374085574.db2.gz UKKHXZPANGNSCE-ROUUACIJSA-N 1 0 288.435 2.670 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069709482 374089541 /nfs/dbraw/zinc/08/95/41/374089541.db2.gz WSMPWDFCLKOMTB-MNOVXSKESA-N 1 0 282.771 2.632 50 0 CFAARO CCN(Cc1ccoc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000069739756 374090740 /nfs/dbraw/zinc/09/07/40/374090740.db2.gz BQGNJYRSJJVYHT-UHFFFAOYSA-N 1 0 293.411 2.686 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000069773464 374095580 /nfs/dbraw/zinc/09/55/80/374095580.db2.gz UISWANSAYHUFBF-ISBHARSQSA-N 1 0 282.391 2.594 50 0 CFAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000069772829 374095712 /nfs/dbraw/zinc/09/57/12/374095712.db2.gz BBMHDZOZLOFFKC-ZDUSSCGKSA-N 1 0 298.415 2.906 50 0 CFAARO CC(C)[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@H](C)O ZINC000069808387 374098546 /nfs/dbraw/zinc/09/85/46/374098546.db2.gz HAUAXCXMDRBBLE-GFCCVEGCSA-N 1 0 276.355 2.965 50 0 CFAARO Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccsc3)C2)nn1 ZINC000069817593 374101885 /nfs/dbraw/zinc/10/18/85/374101885.db2.gz BWNVMMJVOGQWNB-AWEZNQCLSA-N 1 0 288.420 2.605 50 0 CFAARO Cc1nc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cs1 ZINC000069877232 374107691 /nfs/dbraw/zinc/10/76/91/374107691.db2.gz WTBXKRYLAQDFJK-AWEZNQCLSA-N 1 0 295.452 2.578 50 0 CFAARO [NH3+]C1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000070460089 374183013 /nfs/dbraw/zinc/18/30/13/374183013.db2.gz UONVRUXXNDVHCT-UHFFFAOYSA-N 1 0 276.771 2.658 50 0 CFAARO Cc1ccc(NC(=O)N2CCC(CC[NH3+])CC2)cc1F ZINC000070463085 374183235 /nfs/dbraw/zinc/18/32/35/374183235.db2.gz QBIJOZCRUMNQGY-UHFFFAOYSA-N 1 0 279.359 2.727 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1OC ZINC000070326418 374166589 /nfs/dbraw/zinc/16/65/89/374166589.db2.gz TZYJQZPMUZZHBD-ZIAGYGMSSA-N 1 0 279.380 2.751 50 0 CFAARO CC(C)(C)OC(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000071373556 374216955 /nfs/dbraw/zinc/21/69/55/374216955.db2.gz RZBXFLAQZAJBNI-UHFFFAOYSA-N 1 0 254.374 2.530 50 0 CFAARO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(N2CCCC2=O)cc1 ZINC000072312305 374243240 /nfs/dbraw/zinc/24/32/40/374243240.db2.gz DFVLGVLARNTOID-ZDUSSCGKSA-N 1 0 283.375 2.992 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C[C@H]2C)o1 ZINC000072300521 374243520 /nfs/dbraw/zinc/24/35/20/374243520.db2.gz GLXCJJLWZCLTEC-DOMZBBRYSA-N 1 0 278.396 2.571 50 0 CFAARO CC(C)(O)CCc1ccc(C[NH+]2CCSCC2)cc1 ZINC000072418450 374248769 /nfs/dbraw/zinc/24/87/69/374248769.db2.gz NEGMIPRQCFLZOZ-UHFFFAOYSA-N 1 0 279.449 2.939 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1cccc(CO)c1 ZINC000248774061 189952728 /nfs/dbraw/zinc/95/27/28/189952728.db2.gz YROXGONTZORSOV-KKBVYLPWSA-N 1 0 287.403 2.787 50 0 CFAARO CC(C)[N@H+](C)CC(=O)Nc1cc(-c2ccccc2)on1 ZINC000075093001 374455833 /nfs/dbraw/zinc/45/58/33/374455833.db2.gz UCRMIJCKFRMJLK-UHFFFAOYSA-N 1 0 273.336 2.620 50 0 CFAARO Cc1cc(C[N@@H+]2CCCC[C@H]2Cn2nc(C)cc2C)on1 ZINC000075131848 374460202 /nfs/dbraw/zinc/46/02/02/374460202.db2.gz HEXCVGDFXHTBAO-HNNXBMFYSA-N 1 0 288.395 2.851 50 0 CFAARO CC[NH+](CC)CC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000075560937 374492284 /nfs/dbraw/zinc/49/22/84/374492284.db2.gz ZNCPONYEEJCMLG-KBPBESRZSA-N 1 0 278.396 2.921 50 0 CFAARO O=C1CCc2cccc(F)c2N1CC[NH+]1CCCCC1 ZINC000075901880 374510736 /nfs/dbraw/zinc/51/07/36/374510736.db2.gz YGUXXUVDAOVVHD-UHFFFAOYSA-N 1 0 276.355 2.591 50 0 CFAARO CC1(C)CC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000076012499 374520300 /nfs/dbraw/zinc/52/03/00/374520300.db2.gz CSJQPNRKFMRGSW-AWEZNQCLSA-N 1 0 274.364 2.744 50 0 CFAARO C[C@@H](c1ccccc1)[N@H+](CCS(C)(=O)=O)CC1CCC1 ZINC000076019817 374521253 /nfs/dbraw/zinc/52/12/53/374521253.db2.gz YLDYVDKLESUXEV-AWEZNQCLSA-N 1 0 295.448 2.894 50 0 CFAARO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2F)C[C@@H]1[NH+](C)C ZINC000078894566 374573529 /nfs/dbraw/zinc/57/35/29/374573529.db2.gz YBMWKJWJSWOBDF-WFASDCNBSA-N 1 0 292.398 2.512 50 0 CFAARO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947870 374576382 /nfs/dbraw/zinc/57/63/82/374576382.db2.gz HKULEZPUFWSDOV-KBPBESRZSA-N 1 0 265.426 2.891 50 0 CFAARO CC(C)NC(=O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000078947812 374576951 /nfs/dbraw/zinc/57/69/51/374576951.db2.gz DBIHKCFONIKANW-CQSZACIVSA-N 1 0 292.448 2.625 50 0 CFAARO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cnc(C)cn2)C1 ZINC000078947874 374577425 /nfs/dbraw/zinc/57/74/25/374577425.db2.gz HKULEZPUFWSDOV-ZIAGYGMSSA-N 1 0 265.426 2.891 50 0 CFAARO OC1(c2ccc(-c3ccccc3)cc2)CC[NH2+]CC1 ZINC000079033055 374585800 /nfs/dbraw/zinc/58/58/00/374585800.db2.gz REUFEAYWUYVNKD-UHFFFAOYSA-N 1 0 253.345 2.925 50 0 CFAARO C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000083812908 374756864 /nfs/dbraw/zinc/75/68/64/374756864.db2.gz UVJOGWQLSPZSKI-VHUCWBOISA-N 1 0 286.419 2.543 50 0 CFAARO CN(CC[N@H+](C)Cc1ccccn1)c1ccccc1 ZINC000083860885 374758500 /nfs/dbraw/zinc/75/85/00/374758500.db2.gz SCIZVFYNFBMQKT-UHFFFAOYSA-N 1 0 255.365 2.650 50 0 CFAARO COCCC[N@@H+]1CCC[C@@H](c2nccn2CC2CC2)C1 ZINC000082108840 374726008 /nfs/dbraw/zinc/72/60/08/374726008.db2.gz QRXLQZWQGOFOMY-OAHLLOKOSA-N 1 0 277.412 2.509 50 0 CFAARO Cn1ccnc1[C@@H]1CCC[N@H+](CCC(F)(F)C(F)F)C1 ZINC000082126035 374728267 /nfs/dbraw/zinc/72/82/67/374728267.db2.gz HOKGVTQSOWWBDJ-SNVBAGLBSA-N 1 0 293.308 2.890 50 0 CFAARO CC(C)C/C=C(\CN1CC[C@@H]([NH3+])[C@H](O)C1)c1ccccc1 ZINC000082138702 374728507 /nfs/dbraw/zinc/72/85/07/374728507.db2.gz MIGYULBJXHQNFP-AMNWKIMCSA-N 1 0 288.435 2.510 50 0 CFAARO Clc1cc(Br)cc(N2CC[NH2+]CC2)c1 ZINC000084666654 374787900 /nfs/dbraw/zinc/78/79/00/374787900.db2.gz DOAFMLFWTZHSBW-UHFFFAOYSA-N 1 0 275.577 2.512 50 0 CFAARO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1cc[nH]n1 ZINC000089904212 374966857 /nfs/dbraw/zinc/96/68/57/374966857.db2.gz WHSVCBHPKADUCG-JTQLQIEISA-N 1 0 294.196 2.893 50 0 CFAARO CCN(CC)C(=O)C1([NH2+]CC2CCOCC2)CCCCC1 ZINC000089967590 374976119 /nfs/dbraw/zinc/97/61/19/374976119.db2.gz CDTGUZZPXAUHLB-UHFFFAOYSA-N 1 0 296.455 2.574 50 0 CFAARO C[N@H+](C[C@@H](O)c1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000089938676 374971867 /nfs/dbraw/zinc/97/18/67/374971867.db2.gz HULHJXZUEGRJGY-CHWSQXEVSA-N 1 0 271.813 2.811 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000493707683 246677725 /nfs/dbraw/zinc/67/77/25/246677725.db2.gz OYSZIHGONFMREL-FMFIFOJESA-N 1 0 298.308 2.668 50 0 CFAARO COc1c(C[N@H+](C)[C@@H](C)Cc2cccs2)c(C)nn1C ZINC000093706062 375303087 /nfs/dbraw/zinc/30/30/87/375303087.db2.gz FLGRXKOKDMFDSH-NSHDSACASA-N 1 0 293.436 2.862 50 0 CFAARO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093899040 375329674 /nfs/dbraw/zinc/32/96/74/375329674.db2.gz MHOSDNLVGJAAJO-CQSZACIVSA-N 1 0 297.402 2.563 50 0 CFAARO c1ccc2c(c1)C[C@H](C[NH+]1CCSCC1)CCO2 ZINC000095504103 375460646 /nfs/dbraw/zinc/46/06/46/375460646.db2.gz PRYJHNFKRSUKFO-CYBMUJFWSA-N 1 0 263.406 2.677 50 0 CFAARO CCC[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1[NH+](C)C ZINC000095497504 375461837 /nfs/dbraw/zinc/46/18/37/375461837.db2.gz XEPHJASUJLXOEZ-IUODEOHRSA-N 1 0 296.361 2.767 50 0 CFAARO C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)C1CCC1 ZINC000095941337 375463024 /nfs/dbraw/zinc/46/30/24/375463024.db2.gz QGJDQPQZBHPWQF-LBPRGKRZSA-N 1 0 290.432 2.904 50 0 CFAARO C[N@H+](CC(=O)NC1CC1)[C@@H]1CCc2c1cccc2Cl ZINC000095978588 375464648 /nfs/dbraw/zinc/46/46/48/375464648.db2.gz IENZIGAQRKXAJD-CQSZACIVSA-N 1 0 278.783 2.538 50 0 CFAARO c1csc(N2CCC([NH2+]C(C3CC3)C3CC3)CC2)n1 ZINC000095972820 375465181 /nfs/dbraw/zinc/46/51/81/375465181.db2.gz OIPMPWQNJFEHJZ-UHFFFAOYSA-N 1 0 277.437 2.890 50 0 CFAARO CC(C)CO[C@H]1C[C@@H]([N@H+](CC(N)=O)C2CCCC2)C1(C)C ZINC000096009225 375466653 /nfs/dbraw/zinc/46/66/53/375466653.db2.gz QEYALEIOZVTYGS-CABCVRRESA-N 1 0 296.455 2.556 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCn1ccc2ccccc2c1=O ZINC000095357866 375419456 /nfs/dbraw/zinc/41/94/56/375419456.db2.gz CGRWTTHZEBXZPW-OAHLLOKOSA-N 1 0 270.376 2.876 50 0 CFAARO COCCC[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095359297 375419633 /nfs/dbraw/zinc/41/96/33/375419633.db2.gz MBFUOROPAUDQLO-MRXNPFEDSA-N 1 0 291.439 2.899 50 0 CFAARO Cc1cnc(NCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000095359756 375419958 /nfs/dbraw/zinc/41/99/58/375419958.db2.gz QHTYRYHPVYJJGE-LSDHHAIUSA-N 1 0 274.412 2.852 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCn1sc2ccccc2c1=O ZINC000095367732 375421286 /nfs/dbraw/zinc/42/12/86/375421286.db2.gz NCZJNUUEPTZSLN-GFCCVEGCSA-N 1 0 276.405 2.937 50 0 CFAARO CC(C)c1cc(NCCCCC[NH+](C)C)ncn1 ZINC000095368733 375423436 /nfs/dbraw/zinc/42/34/36/375423436.db2.gz HHJUHQHWGRNRQO-UHFFFAOYSA-N 1 0 250.390 2.744 50 0 CFAARO CSCCC[NH2+]Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095378766 375425508 /nfs/dbraw/zinc/42/55/08/375425508.db2.gz AGLMVTHVDHXBPF-UHFFFAOYSA-N 1 0 280.368 2.510 50 0 CFAARO Cc1cccc(OC2CN(c3cc(C(C)C)[nH+]c(N)n3)C2)c1 ZINC000095388894 375428402 /nfs/dbraw/zinc/42/84/02/375428402.db2.gz VJZNNCOYLOATEZ-UHFFFAOYSA-N 1 0 298.390 2.758 50 0 CFAARO Cc1cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)nc1 ZINC000095391804 375428774 /nfs/dbraw/zinc/42/87/74/375428774.db2.gz KZLRLHLNSXPOAW-UHFFFAOYSA-N 1 0 262.401 2.848 50 0 CFAARO C[C@H](CCCC(C)(C)O)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000095388074 375429277 /nfs/dbraw/zinc/42/92/77/375429277.db2.gz CWTCDHPXXZBULR-CYBMUJFWSA-N 1 0 279.428 2.735 50 0 CFAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1occc1C ZINC000095402523 375431695 /nfs/dbraw/zinc/43/16/95/375431695.db2.gz KARGBLSOTYVYDV-UKRRQHHQSA-N 1 0 290.407 2.715 50 0 CFAARO c1cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)ccn1 ZINC000095402432 375431824 /nfs/dbraw/zinc/43/18/24/375431824.db2.gz MVVHUTTXSPMCHL-CQSZACIVSA-N 1 0 284.363 2.722 50 0 CFAARO OCCCCC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000095398404 375432160 /nfs/dbraw/zinc/43/21/60/375432160.db2.gz NYVXIFSNACKSHH-OAHLLOKOSA-N 1 0 265.422 2.939 50 0 CFAARO Cc1ccccc1[C@@H](C)[NH2+]CCCO[C@@H]1CCOC1 ZINC000095419462 375439276 /nfs/dbraw/zinc/43/92/76/375439276.db2.gz LBLKVCXDLNNUMJ-HUUCEWRRSA-N 1 0 263.381 2.841 50 0 CFAARO CC[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000095422428 375440656 /nfs/dbraw/zinc/44/06/56/375440656.db2.gz WRMHKQSBGPNDJG-ZFWWWQNUSA-N 1 0 273.380 2.928 50 0 CFAARO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)cc1C ZINC000095423922 375442500 /nfs/dbraw/zinc/44/25/00/375442500.db2.gz YXKCHUAEHVSMNC-ZIAGYGMSSA-N 1 0 283.437 2.777 50 0 CFAARO O=C(C1CCCCC1)N1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000095423775 375442592 /nfs/dbraw/zinc/44/25/92/375442592.db2.gz NVRNJBMEKKQIFL-MRXNPFEDSA-N 1 0 290.451 2.946 50 0 CFAARO CN1CC[NH+](CCc2ccc(NCC(C)(C)C)cc2)CC1 ZINC000095428794 375445462 /nfs/dbraw/zinc/44/54/62/375445462.db2.gz KNSXPZALNIHHSN-UHFFFAOYSA-N 1 0 289.467 2.935 50 0 CFAARO O=C(CCC[NH2+]Cc1cc(Cl)ccc1F)NC1CC1 ZINC000095435680 375448404 /nfs/dbraw/zinc/44/84/04/375448404.db2.gz CTVWLJKHUWPROF-UHFFFAOYSA-N 1 0 284.762 2.628 50 0 CFAARO CNc1ccc(-c2ccc([C@@H](C)[NH+](C)C)cc2)nn1 ZINC000096163783 375472356 /nfs/dbraw/zinc/47/23/56/375472356.db2.gz RWLDNEOYEGUURG-LLVKDONJSA-N 1 0 256.353 2.808 50 0 CFAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccn(C)n1 ZINC000095451567 375454927 /nfs/dbraw/zinc/45/49/27/375454927.db2.gz HUHXIBOZASTYBD-MRXNPFEDSA-N 1 0 285.391 2.636 50 0 CFAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]CCOc1ccccc1 ZINC000097159376 375533213 /nfs/dbraw/zinc/53/32/13/375533213.db2.gz YMQPVDLIZDNHEH-UHFFFAOYSA-N 1 0 294.358 2.640 50 0 CFAARO Cc1ccc(NC[C@H]2CC[N@@H+](CCOC(C)C)C2)nc1 ZINC000097200782 375538227 /nfs/dbraw/zinc/53/82/27/375538227.db2.gz UDAHHPXCXOLRPG-OAHLLOKOSA-N 1 0 277.412 2.549 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\c1ccccc1 ZINC000096401601 375485597 /nfs/dbraw/zinc/48/55/97/375485597.db2.gz HXCVEZBIHDIILG-WOLCWHLNSA-N 1 0 272.392 2.690 50 0 CFAARO CCCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000096319253 375485692 /nfs/dbraw/zinc/48/56/92/375485692.db2.gz OTARPNHZLXRNCP-CQSZACIVSA-N 1 0 290.407 2.690 50 0 CFAARO COC[C@@H](C)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000097045907 375501427 /nfs/dbraw/zinc/50/14/27/375501427.db2.gz VMJZXZHPZNENJZ-CYBMUJFWSA-N 1 0 294.464 2.991 50 0 CFAARO CCn1cc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cn1 ZINC000097108640 375522158 /nfs/dbraw/zinc/52/21/58/375522158.db2.gz HTKBMWOAWHRBBI-MRXNPFEDSA-N 1 0 289.354 2.695 50 0 CFAARO c1coc(CNc2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000097113919 375524672 /nfs/dbraw/zinc/52/46/72/375524672.db2.gz DIYKPJWTKFHDQG-UHFFFAOYSA-N 1 0 274.368 2.574 50 0 CFAARO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000097113412 375524798 /nfs/dbraw/zinc/52/47/98/375524798.db2.gz JUFNGTKQIAXQNF-CJNGLKHVSA-N 1 0 287.432 2.753 50 0 CFAARO CC(=O)Nc1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC000097113796 375524950 /nfs/dbraw/zinc/52/49/50/375524950.db2.gz NQOVOBYJCJBNNK-UHFFFAOYSA-N 1 0 269.348 2.672 50 0 CFAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000097137216 375527510 /nfs/dbraw/zinc/52/75/10/375527510.db2.gz UAASVHRPSDPTAR-NSHDSACASA-N 1 0 277.318 2.818 50 0 CFAARO C[C@@H](c1ccc(-c2cc(N(C)C)ncn2)cc1)[NH+](C)C ZINC000097307803 375548592 /nfs/dbraw/zinc/54/85/92/375548592.db2.gz VPRYATVEKIJAHU-LBPRGKRZSA-N 1 0 270.380 2.832 50 0 CFAARO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000097372973 375553127 /nfs/dbraw/zinc/55/31/27/375553127.db2.gz FOYAKIPCQDYRNE-MGPQQGTHSA-N 1 0 262.401 2.778 50 0 CFAARO COc1c(C)cc(NC(=O)N2CCCC[C@@H]2C[NH3+])cc1C ZINC000097572328 375568523 /nfs/dbraw/zinc/56/85/23/375568523.db2.gz RDDWYVBRDVOXIO-CQSZACIVSA-N 1 0 291.395 2.657 50 0 CFAARO COc1ccc(/C=C/CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000097604253 375573601 /nfs/dbraw/zinc/57/36/01/375573601.db2.gz MPHLFUHUEFAJJY-RTZWDOBSSA-N 1 0 286.419 2.879 50 0 CFAARO C1=CC[NH+]([C@H]2CCN(c3nc4ccccc4s3)C2)C1 ZINC000104205839 375772830 /nfs/dbraw/zinc/77/28/30/375772830.db2.gz FEDFCJUVLWXWFQ-LBPRGKRZSA-N 1 0 271.389 2.747 50 0 CFAARO Cn1cncc1C[NH2+][C@@H]1CCSc2ccccc21 ZINC000112341037 375906685 /nfs/dbraw/zinc/90/66/85/375906685.db2.gz UJCPXFYGJKODKV-CYBMUJFWSA-N 1 0 259.378 2.747 50 0 CFAARO [NH3+]CCCCc1nnc(SCc2ccccc2F)o1 ZINC000002596734 169814867 /nfs/dbraw/zinc/81/48/67/169814867.db2.gz FKIMJSPNQZDBCP-UHFFFAOYSA-N 1 0 281.356 2.782 50 0 CFAARO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000129166005 377393767 /nfs/dbraw/zinc/39/37/67/377393767.db2.gz YDNTWOZFBUTTTN-OAHLLOKOSA-N 1 0 251.345 2.871 50 0 CFAARO COC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000130954127 377637424 /nfs/dbraw/zinc/63/74/24/377637424.db2.gz KRRPPPAONMUOLR-LBPRGKRZSA-N 1 0 251.326 2.678 50 0 CFAARO CC(=O)NC1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000132752171 377871666 /nfs/dbraw/zinc/87/16/66/377871666.db2.gz RVLVMSBZXHMTQP-VCANKDNSSA-N 1 0 278.396 2.994 50 0 CFAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccccc2Cl)C1 ZINC000133497699 377934085 /nfs/dbraw/zinc/93/40/85/377934085.db2.gz LFYWWBKHYBEJRQ-MMQHEFTJSA-N 1 0 278.783 2.564 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cc3ccc(C)cc3nc2C)C1 ZINC000133948613 377969429 /nfs/dbraw/zinc/96/94/29/377969429.db2.gz ADTVQPRZZKRQCB-HNNXBMFYSA-N 1 0 297.402 2.676 50 0 CFAARO Cc1cc([C@H](C)[NH2+]CCCO)ccc1Br ZINC000134541793 378028876 /nfs/dbraw/zinc/02/88/76/378028876.db2.gz XNLSURIAOJTAKB-JTQLQIEISA-N 1 0 272.186 2.791 50 0 CFAARO Cc1cc(Cl)ccc1C[N@@H+](CCO)C1CCN(C)CC1 ZINC000136133732 378182407 /nfs/dbraw/zinc/18/24/07/378182407.db2.gz DELIBNIERUJNFN-UHFFFAOYSA-N 1 0 296.842 2.537 50 0 CFAARO Cc1cc(Cl)ccc1C[NH+]1CCC(CO)CC1 ZINC000136151790 378183293 /nfs/dbraw/zinc/18/32/93/378183293.db2.gz RPCURMYXXMHSRA-UHFFFAOYSA-N 1 0 253.773 2.853 50 0 CFAARO Cc1cc(CCCC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(C)s1 ZINC000154275254 378554469 /nfs/dbraw/zinc/55/44/69/378554469.db2.gz TVIVTQXOYLOKAZ-RYUDHWBXSA-N 1 0 294.464 2.896 50 0 CFAARO C[C@H](CC[NH2+]Cc1ccc(Cl)cc1F)[S@@](C)=O ZINC000160892954 378808390 /nfs/dbraw/zinc/80/83/90/378808390.db2.gz PFLMGLJQYWZNKH-XLFHBGCDSA-N 1 0 277.792 2.726 50 0 CFAARO [NH3+]Cc1ccc(Br)cc1OCC(F)F ZINC000165960905 379046221 /nfs/dbraw/zinc/04/62/21/379046221.db2.gz IGVRZBSCDNLREI-UHFFFAOYSA-N 1 0 266.085 2.552 50 0 CFAARO OC[C@H]1C=C[C@@H]([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000170074652 379115475 /nfs/dbraw/zinc/11/54/75/379115475.db2.gz QVWHUMBZANJWGG-LZWOXQAQSA-N 1 0 285.387 2.960 50 0 CFAARO c1nc(CN2CCC[C@H](c3nnc4ccccn43)C2)cs1 ZINC000172556326 379596082 /nfs/dbraw/zinc/59/60/82/379596082.db2.gz YTEBMJLVPWQMJG-LBPRGKRZSA-N 1 0 299.403 2.565 50 0 CFAARO Cc1cccc(CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000645778890 383744305 /nfs/dbraw/zinc/74/43/05/383744305.db2.gz KRVBWTQAUDLZGN-AWEZNQCLSA-N 1 0 270.380 2.535 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178549502 380463130 /nfs/dbraw/zinc/46/31/30/380463130.db2.gz GVFBHGQDYQQAFX-SNVBAGLBSA-N 1 0 292.766 2.815 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000409420900 380959016 /nfs/dbraw/zinc/95/90/16/380959016.db2.gz AYXYPTBQNDKGND-AWEZNQCLSA-N 1 0 287.363 2.645 50 0 CFAARO c1cc2cc(CC[NH2+]Cc3cccnc3)ccc2[nH]1 ZINC000408515715 380935795 /nfs/dbraw/zinc/93/57/95/380935795.db2.gz NTBOPAOKJWTDQD-UHFFFAOYSA-N 1 0 251.333 2.895 50 0 CFAARO CCc1ccc2occ(C(=O)N3CCC4(C[NH+](C)C4)C3)c2c1 ZINC000408517559 380936172 /nfs/dbraw/zinc/93/61/72/380936172.db2.gz KNSNSIHMSSMETI-UHFFFAOYSA-N 1 0 298.386 2.773 50 0 CFAARO COCCC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000408522748 380939578 /nfs/dbraw/zinc/93/95/78/380939578.db2.gz CXQUQNWFKRFREK-WKILWMFISA-N 1 0 293.407 2.534 50 0 CFAARO c1oc(-c2ccccc2)nc1C[NH2+][C@@H]1CCCOC1 ZINC000342309391 381268838 /nfs/dbraw/zinc/26/88/38/381268838.db2.gz OHQCMONFACVFRL-CYBMUJFWSA-N 1 0 258.321 2.610 50 0 CFAARO Cc1cc(Cl)ccc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000290134317 381314858 /nfs/dbraw/zinc/31/48/58/381314858.db2.gz ZQVJRYNYQFUWMU-MRXNPFEDSA-N 1 0 292.810 2.864 50 0 CFAARO OC1(C[NH2+]Cc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000000272080 169593839 /nfs/dbraw/zinc/59/38/39/169593839.db2.gz WYFVNLGWCLKJGL-UHFFFAOYSA-N 1 0 271.404 2.963 50 0 CFAARO Cc1cc(N2CCC([NH2+][C@H]3CCC3(C)C)CC2)nc(C)n1 ZINC000342700460 381488508 /nfs/dbraw/zinc/48/85/08/381488508.db2.gz QVPBGRYAPBIRAS-HNNXBMFYSA-N 1 0 288.439 2.840 50 0 CFAARO CC(C)[N@@H+]1CCOc2ccc([C@@H](O)c3ccncc3)cc2C1 ZINC000299768801 382044312 /nfs/dbraw/zinc/04/43/12/382044312.db2.gz KOFWCMTVMFXCRH-SFHVURJKSA-N 1 0 298.386 2.766 50 0 CFAARO CC[N@@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000299759366 382044837 /nfs/dbraw/zinc/04/48/37/382044837.db2.gz GQZRWWMJMIUQQD-OAHLLOKOSA-N 1 0 263.381 2.980 50 0 CFAARO Cc1cccc2cc(C[NH2+]C[C@H]3CCCO3)c(N(C)C)nc12 ZINC000299778786 382046856 /nfs/dbraw/zinc/04/68/56/382046856.db2.gz QTVHLWCIOHUHRO-MRXNPFEDSA-N 1 0 299.418 2.878 50 0 CFAARO CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](C[NH3+])O2 ZINC000299772829 382046894 /nfs/dbraw/zinc/04/68/94/382046894.db2.gz BDOZCXPFERVCLT-AWEZNQCLSA-N 1 0 267.328 2.818 50 0 CFAARO c1ccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)nc1 ZINC000299796076 382049633 /nfs/dbraw/zinc/04/96/33/382049633.db2.gz MRYRQPFDDXPFAQ-QGZVFWFLSA-N 1 0 284.359 2.539 50 0 CFAARO COc1ccc2[nH]c(SC[C@@H]3CC[N@H+](C)C3)nc2c1 ZINC000187651583 382236865 /nfs/dbraw/zinc/23/68/65/382236865.db2.gz DPFJSAMGAKPTIQ-SNVBAGLBSA-N 1 0 277.393 2.615 50 0 CFAARO C[NH+](C)CCSCc1noc(-c2ccc(F)cc2F)n1 ZINC000187902026 382291636 /nfs/dbraw/zinc/29/16/36/382291636.db2.gz LMZYUWCTCJJYBZ-UHFFFAOYSA-N 1 0 299.346 2.810 50 0 CFAARO CC(C)(C)SCC[NH2+][C@H](CO)c1ccsc1 ZINC000309525705 382489280 /nfs/dbraw/zinc/48/92/80/382489280.db2.gz BCQYCXROXVMQMK-LLVKDONJSA-N 1 0 259.440 2.903 50 0 CFAARO CCc1ccccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000189435012 382608115 /nfs/dbraw/zinc/60/81/15/382608115.db2.gz RUHNTQGPRKJQTP-UHFFFAOYSA-N 1 0 289.419 2.878 50 0 CFAARO C[C@H](NC(=O)C[NH+](C)C)c1cc(Cl)ccc1Cl ZINC000189454036 382611064 /nfs/dbraw/zinc/61/10/64/382611064.db2.gz BMOYFRNJMOKOJB-QMMMGPOBSA-N 1 0 275.179 2.732 50 0 CFAARO c1ccc(C[C@@H]2CC[C@@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000189513990 382618500 /nfs/dbraw/zinc/61/85/00/382618500.db2.gz NBKRKJWEXWJOPV-DOTOQJQBSA-N 1 0 267.376 2.978 50 0 CFAARO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000191349238 382698893 /nfs/dbraw/zinc/69/88/93/382698893.db2.gz KNVQWOCLGCEGRH-ZIAGYGMSSA-N 1 0 290.407 2.529 50 0 CFAARO CCn1c(C)nnc1SCCC[NH+]1CCCCC1 ZINC000191826975 382702728 /nfs/dbraw/zinc/70/27/28/382702728.db2.gz ZUTKIRXIZONBHX-UHFFFAOYSA-N 1 0 268.430 2.575 50 0 CFAARO C[C@H](C[NH2+]CCS(=O)(=O)C(C)(C)C)c1ccccc1 ZINC000191918694 382703269 /nfs/dbraw/zinc/70/32/69/382703269.db2.gz SQPRYQOSYSTKNV-CYBMUJFWSA-N 1 0 283.437 2.593 50 0 CFAARO C[C@H](O)C[N@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000192709016 382711273 /nfs/dbraw/zinc/71/12/73/382711273.db2.gz JHGSRRKEWKZIDG-ZDUSSCGKSA-N 1 0 275.392 2.747 50 0 CFAARO C[N@H+](CCSCN1CCCCC1=O)Cc1ccccc1 ZINC000193624139 382721687 /nfs/dbraw/zinc/72/16/87/382721687.db2.gz REKLYJFVGZLRHZ-UHFFFAOYSA-N 1 0 292.448 2.822 50 0 CFAARO CCN(C(=O)CC[NH3+])[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000195542432 382769364 /nfs/dbraw/zinc/76/93/64/382769364.db2.gz PRQWHMGSRVWFHZ-JTQLQIEISA-N 1 0 288.313 2.964 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000215155943 382777799 /nfs/dbraw/zinc/77/77/99/382777799.db2.gz LTHMEKCVERYSAH-UHFFFAOYSA-N 1 0 289.427 2.722 50 0 CFAARO CCc1ccc(C[N@@H+]2CCCC[C@@H]2CCCO)o1 ZINC000215211521 382777868 /nfs/dbraw/zinc/77/78/68/382777868.db2.gz JXYXLWRBKDHFSV-CYBMUJFWSA-N 1 0 251.370 2.969 50 0 CFAARO Cn1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2O)c(-c2ccccc2)n1 ZINC000215270946 382777955 /nfs/dbraw/zinc/77/79/55/382777955.db2.gz REZXWVPSPAKLHN-SJORKVTESA-N 1 0 299.418 2.822 50 0 CFAARO Cc1ccc(-c2ccccc2CN2CC[C@@H]([NH3+])C2)o1 ZINC000215233983 382778136 /nfs/dbraw/zinc/77/81/36/382778136.db2.gz PHKULUXAICREMB-CQSZACIVSA-N 1 0 256.349 2.788 50 0 CFAARO Cc1cc2nc(C[N@H+](C)C[C@H]3CCOC3)[nH]c2cc1C ZINC000215475765 382778868 /nfs/dbraw/zinc/77/88/68/382778868.db2.gz TVXOFQDCHTYPRP-CYBMUJFWSA-N 1 0 273.380 2.648 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](CCCSC)C2 ZINC000215440653 382779210 /nfs/dbraw/zinc/77/92/10/382779210.db2.gz VIPJWSAYNFRUIT-UHFFFAOYSA-N 1 0 251.395 2.806 50 0 CFAARO [NH3+][C@H]1CCN(Cc2ccccc2OC2CCCC2)C1 ZINC000215995853 382781336 /nfs/dbraw/zinc/78/13/36/382781336.db2.gz RETTZWNJCWWFLG-AWEZNQCLSA-N 1 0 260.381 2.541 50 0 CFAARO COc1ccc(CN2CCO[C@@H](CC(C)C)C2)c(OC)c1 ZINC000216236862 382782469 /nfs/dbraw/zinc/78/24/69/382782469.db2.gz LKXDZYVOSCSKID-INIZCTEOSA-N 1 0 293.407 2.951 50 0 CFAARO COC[C@@H]1CCC[N@@H+]1Cc1ccc(Cn2cccn2)cc1 ZINC000216388653 382783244 /nfs/dbraw/zinc/78/32/44/382783244.db2.gz PLAPMXTWHDYSLG-KRWDZBQOSA-N 1 0 285.391 2.542 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2)on1 ZINC000222039553 382800402 /nfs/dbraw/zinc/80/04/02/382800402.db2.gz UJPYNEKCQBOWSF-HUUCEWRRSA-N 1 0 272.348 2.854 50 0 CFAARO C[C@H](C(=O)N1CCCC1)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000225244145 382813593 /nfs/dbraw/zinc/81/35/93/382813593.db2.gz FFHLQVHGZCQFMF-UKRRQHHQSA-N 1 0 290.382 2.626 50 0 CFAARO O=C(NC[C@@H]1CCCN1c1ccccn1)c1ccc(F)cc1 ZINC000225629528 382819357 /nfs/dbraw/zinc/81/93/57/382819357.db2.gz OHVWHNPLAXCEMH-HNNXBMFYSA-N 1 0 299.349 2.620 50 0 CFAARO CCCCc1noc([C@@H](C)N2CC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000229473180 382851457 /nfs/dbraw/zinc/85/14/57/382851457.db2.gz LBUMCGWRANODOH-ZIAGYGMSSA-N 1 0 292.427 2.643 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000229405766 382851577 /nfs/dbraw/zinc/85/15/77/382851577.db2.gz MTLOBGZEUWKBSA-RHSMWYFYSA-N 1 0 295.386 2.647 50 0 CFAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000227811164 382840583 /nfs/dbraw/zinc/84/05/83/382840583.db2.gz PZBZUIKGUJWUQW-CKYFFXLPSA-N 1 0 282.334 2.612 50 0 CFAARO O[C@H](CN1CCC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000229897043 382854054 /nfs/dbraw/zinc/85/40/54/382854054.db2.gz UKKHXZPANGNSCE-QZTJIDSGSA-N 1 0 288.435 2.670 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1cccc(C(F)(F)F)c1 ZINC000493707686 382880352 /nfs/dbraw/zinc/88/03/52/382880352.db2.gz OYSZIHGONFMREL-FWWRYZNZSA-N 1 0 298.308 2.668 50 0 CFAARO C[Si](C)(C)c1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000235735128 382886693 /nfs/dbraw/zinc/88/66/93/382886693.db2.gz IKYICAPETCICPI-UHFFFAOYSA-N 1 0 270.452 2.917 50 0 CFAARO C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)CC[NH3+] ZINC000237546935 382964195 /nfs/dbraw/zinc/96/41/95/382964195.db2.gz AQIIAAKTMUTEMA-QWRGUYRKSA-N 1 0 268.788 2.639 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cccc3ccc(C)nc32)C1 ZINC000237059829 382947104 /nfs/dbraw/zinc/94/71/04/382947104.db2.gz HLNHULOPKUQXFD-CQSZACIVSA-N 1 0 297.402 2.615 50 0 CFAARO C[NH2+]C1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000237095487 382950030 /nfs/dbraw/zinc/95/00/30/382950030.db2.gz KWTQIYIBVFRVCC-UHFFFAOYSA-N 1 0 287.190 2.817 50 0 CFAARO FC(F)(F)CN1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1 ZINC000237867966 382972001 /nfs/dbraw/zinc/97/20/01/382972001.db2.gz FZLGTNXTRWLZON-LBPRGKRZSA-N 1 0 297.324 2.894 50 0 CFAARO [NH3+][C@H]1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000238688435 382980118 /nfs/dbraw/zinc/98/01/18/382980118.db2.gz WDMKSHMULLGORP-WDEREUQCSA-N 1 0 256.143 2.628 50 0 CFAARO CC(C)[N@@H+]1CCCC[C@@H]1Cn1nnc(-c2ccccc2)n1 ZINC000241588575 382983571 /nfs/dbraw/zinc/98/35/71/382983571.db2.gz PEEADVNGOZHTQN-OAHLLOKOSA-N 1 0 285.395 2.603 50 0 CFAARO CC[S@](=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000241884864 382984785 /nfs/dbraw/zinc/98/47/85/382984785.db2.gz SYKPMURMAYLKBA-VFVRVIDISA-N 1 0 286.466 2.621 50 0 CFAARO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C)C2)C1 ZINC000241965525 382985010 /nfs/dbraw/zinc/98/50/10/382985010.db2.gz UTMUREGGWMXHBR-RBSFLKMASA-N 1 0 266.429 2.803 50 0 CFAARO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCc1cccs1 ZINC000242292539 382985458 /nfs/dbraw/zinc/98/54/58/382985458.db2.gz YNBWQYZNPYOSMS-MBNYWOFBSA-N 1 0 253.411 2.772 50 0 CFAARO COc1ccnc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000242263328 382985928 /nfs/dbraw/zinc/98/59/28/382985928.db2.gz XYDZNKOYWHVPKB-SFHVURJKSA-N 1 0 297.402 2.579 50 0 CFAARO C[C@H](Cc1cnccn1)[N@H+](C)CCCc1ccco1 ZINC000244719260 382991984 /nfs/dbraw/zinc/99/19/84/382991984.db2.gz MAALSPYOACYKEL-CYBMUJFWSA-N 1 0 259.353 2.565 50 0 CFAARO COc1ccc(CN(C)CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000244795759 382992744 /nfs/dbraw/zinc/99/27/44/382992744.db2.gz RMZRYLZLJFXXCV-OAHLLOKOSA-N 1 0 292.423 2.620 50 0 CFAARO CCc1cc(CN(C)CCn2cnc3ccccc32)on1 ZINC000244893990 382994001 /nfs/dbraw/zinc/99/40/01/382994001.db2.gz YXSCKVQHQKEIIA-UHFFFAOYSA-N 1 0 284.363 2.719 50 0 CFAARO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237638984 382967717 /nfs/dbraw/zinc/96/77/17/382967717.db2.gz RVELEAURWSOQLH-HAGUTBJNSA-N 1 0 276.355 2.567 50 0 CFAARO Clc1nc2ccccn2c1C[NH2+]C[C@@H]1CCCOC1 ZINC000237805011 382971089 /nfs/dbraw/zinc/97/10/89/382971089.db2.gz BTWOAQFMUPZCHR-NSHDSACASA-N 1 0 279.771 2.504 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccsc1 ZINC000248128604 383212567 /nfs/dbraw/zinc/21/25/67/383212567.db2.gz MNRVFJVIBVDZAI-LSDHHAIUSA-N 1 0 292.448 2.766 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000248088815 383210859 /nfs/dbraw/zinc/21/08/59/383210859.db2.gz BTNVJXOYUPKCPZ-HUUCEWRRSA-N 1 0 276.355 2.525 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000248122928 383211647 /nfs/dbraw/zinc/21/16/47/383211647.db2.gz KPZKKQMSCCAWDR-IAGOWNOFSA-N 1 0 297.402 2.867 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCC[C@H]1C(N)=O)c1nc2ccccc2o1 ZINC000249275150 383337205 /nfs/dbraw/zinc/33/72/05/383337205.db2.gz LQSWBGCZDHJDRU-TUAOUCFPSA-N 1 0 287.363 2.523 50 0 CFAARO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCS[C@H](C)CC1 ZINC000249050959 383321656 /nfs/dbraw/zinc/32/16/56/383321656.db2.gz OHMOVNCMRHZCMP-ZIAGYGMSSA-N 1 0 292.448 2.519 50 0 CFAARO CN(C)c1ccc(-c2cnn([C@H]3CCCCO3)c2)cn1 ZINC000426429054 383400270 /nfs/dbraw/zinc/40/02/70/383400270.db2.gz QBNDGLPRKZFIQD-OAHLLOKOSA-N 1 0 272.352 2.710 50 0 CFAARO C[NH+](C)Cc1ccc(-c2cccc3c2OCC3)nc1 ZINC000426501746 383403362 /nfs/dbraw/zinc/40/33/62/383403362.db2.gz IBKXHVSUZSDGRT-UHFFFAOYSA-N 1 0 254.333 2.745 50 0 CFAARO Cc1n[nH]c(C)c1CC[N@@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000426544395 383405732 /nfs/dbraw/zinc/40/57/32/383405732.db2.gz NSVUJZYKMCRRDO-ZDUSSCGKSA-N 1 0 286.423 2.835 50 0 CFAARO CCCC[C@H](CC)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252445437 383407819 /nfs/dbraw/zinc/40/78/19/383407819.db2.gz CFBUHKAMPDNOQD-KBPBESRZSA-N 1 0 252.402 2.509 50 0 CFAARO C[C@H](c1cccc(-c2cnn(CCO)c2)c1)[NH+]1CCCC1 ZINC000426667462 383409089 /nfs/dbraw/zinc/40/90/89/383409089.db2.gz LBXXGRHIGCQZKC-CQSZACIVSA-N 1 0 285.391 2.699 50 0 CFAARO O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCCCCC1 ZINC000252483148 383411610 /nfs/dbraw/zinc/41/16/10/383411610.db2.gz DWBHRWYUFQMUGH-HNNXBMFYSA-N 1 0 258.365 2.816 50 0 CFAARO COCCC1(C[N@H+](C)[C@@H]2CCOC2)CCCCC1 ZINC000252501726 383415060 /nfs/dbraw/zinc/41/50/60/383415060.db2.gz UIOIJGOMBKYYGW-CQSZACIVSA-N 1 0 255.402 2.694 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(CCc1ccccc1)Cc1cccs1 ZINC000253392689 383454320 /nfs/dbraw/zinc/45/43/20/383454320.db2.gz SYYOFAZVXZXTBM-CYBMUJFWSA-N 1 0 288.416 2.667 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000253393873 383454658 /nfs/dbraw/zinc/45/46/58/383454658.db2.gz HQVQJLBWVFCUFF-RHSMWYFYSA-N 1 0 296.414 2.968 50 0 CFAARO OC[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1cccnc1 ZINC000253428613 383458763 /nfs/dbraw/zinc/45/87/63/383458763.db2.gz KAVGQLVWJMSYEY-GOSISDBHSA-N 1 0 282.387 2.651 50 0 CFAARO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](OCCC(C)C)C2)cn1 ZINC000253432545 383460027 /nfs/dbraw/zinc/46/00/27/383460027.db2.gz LCSKXBGOKYRJNK-HUUCEWRRSA-N 1 0 277.412 2.983 50 0 CFAARO C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000253471645 383460762 /nfs/dbraw/zinc/46/07/62/383460762.db2.gz WQEACRKNPKAUDS-OWCLPIDISA-N 1 0 272.392 2.679 50 0 CFAARO Cc1ccc([C@H]([NH2+]C[C@]2(O)CCOC2)c2ccccc2)cc1 ZINC000252527746 383416956 /nfs/dbraw/zinc/41/69/56/383416956.db2.gz DGDNJHLXHJNCQS-RTBURBONSA-N 1 0 297.398 2.825 50 0 CFAARO C[C@H](C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C)c1ccc(F)cc1 ZINC000252536969 383418459 /nfs/dbraw/zinc/41/84/59/383418459.db2.gz JZVUKUSEOAQEGK-DYEKYZERSA-N 1 0 278.371 2.515 50 0 CFAARO O=C1CC[N@H+](Cc2ccc(F)cc2F)CCCCCCN1 ZINC000257182904 383490951 /nfs/dbraw/zinc/49/09/51/383490951.db2.gz QLFSADXQOXRSOI-UHFFFAOYSA-N 1 0 296.361 2.847 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000257185854 383492053 /nfs/dbraw/zinc/49/20/53/383492053.db2.gz XVSDLTWOOKSZTF-CQSZACIVSA-N 1 0 275.396 2.888 50 0 CFAARO C[C@H]([NH2+]CCc1nccs1)c1cn2ccccc2n1 ZINC000570826385 383639436 /nfs/dbraw/zinc/63/94/36/383639436.db2.gz DBIYMNKXCHFGPL-NSHDSACASA-N 1 0 272.377 2.684 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cn1 ZINC000636440576 383817722 /nfs/dbraw/zinc/81/77/22/383817722.db2.gz QTDLVSDKKXDXHK-SJORKVTESA-N 1 0 298.386 2.788 50 0 CFAARO CS[C@@H]1CCCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000277688541 384375651 /nfs/dbraw/zinc/37/56/51/384375651.db2.gz FRBUWXLPXFHYQT-CYBMUJFWSA-N 1 0 292.452 2.799 50 0 CFAARO Cc1ccccc1CCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000111363766 412988254 /nfs/dbraw/zinc/98/82/54/412988254.db2.gz QQXANMOYPPEGQQ-INIZCTEOSA-N 1 0 274.408 2.658 50 0 CFAARO Fc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000269945414 384914348 /nfs/dbraw/zinc/91/43/48/384914348.db2.gz PZBLNCGPCYBKMV-NWANDNLSSA-N 1 0 261.340 2.873 50 0 CFAARO COC(=O)c1ccccc1C[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280325367 384974265 /nfs/dbraw/zinc/97/42/65/384974265.db2.gz QQKLJGHSTTVVNL-QGZVFWFLSA-N 1 0 291.391 2.864 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2sccc2OC)CC1 ZINC000270979957 385289459 /nfs/dbraw/zinc/28/94/59/385289459.db2.gz COXKRXVHHWSYKE-UHFFFAOYSA-N 1 0 283.393 2.532 50 0 CFAARO COCC1(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CCC1 ZINC000639271651 385399983 /nfs/dbraw/zinc/39/99/83/385399983.db2.gz GKQQSAPWZLFIBF-OAHLLOKOSA-N 1 0 292.398 2.811 50 0 CFAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCSC2)cc1 ZINC000271945481 385408291 /nfs/dbraw/zinc/40/82/91/385408291.db2.gz PXIJODQOEHELFL-ZDUSSCGKSA-N 1 0 289.404 2.680 50 0 CFAARO COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)cc1C ZINC000273256758 385675528 /nfs/dbraw/zinc/67/55/28/385675528.db2.gz FHWLHKUGUCONAJ-NWANDNLSSA-N 1 0 263.381 2.876 50 0 CFAARO O=c1cc(C[NH+]2CCCCC2)c2cc3c(cc2o1)OCO3 ZINC000002122760 285217278 /nfs/dbraw/zinc/21/72/78/285217278.db2.gz UALWBDPOXAPSQD-UHFFFAOYSA-N 1 0 287.315 2.508 50 0 CFAARO CCCn1nc(-c2ccncc2)nc1[C@@H]1CCC[NH2+]CC1 ZINC000096166270 256886573 /nfs/dbraw/zinc/88/65/73/256886573.db2.gz QFEBXNKEXZEQRU-CQSZACIVSA-N 1 0 285.395 2.607 50 0 CFAARO CCCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000096319252 256889312 /nfs/dbraw/zinc/88/93/12/256889312.db2.gz OTARPNHZLXRNCP-AWEZNQCLSA-N 1 0 290.407 2.690 50 0 CFAARO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@H](C)c1ccccc1 ZINC000096479029 533353381 /nfs/dbraw/zinc/35/33/81/533353381.db2.gz LJCGFAIPDKYZIO-QWHCGFSZSA-N 1 0 283.437 2.591 50 0 CFAARO COc1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341975724 130162668 /nfs/dbraw/zinc/16/26/68/130162668.db2.gz JZBWUZIMXNSACN-QGZVFWFLSA-N 1 0 291.391 2.577 50 0 CFAARO C[C@@H](NC(=O)C(C)(C)[NH3+])c1cccc(Cl)c1Cl ZINC000237481539 131035283 /nfs/dbraw/zinc/03/52/83/131035283.db2.gz BRZSGBAGWQULMT-SSDOTTSWSA-N 1 0 275.179 2.908 50 0 CFAARO O=C(NCCc1cccc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000237890487 131063254 /nfs/dbraw/zinc/06/32/54/131063254.db2.gz VTXNNOSVBUKARN-KRWDZBQOSA-N 1 0 282.387 2.641 50 0 CFAARO C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000262652991 131247599 /nfs/dbraw/zinc/24/75/99/131247599.db2.gz XMGNJZUBFMIIDW-WAZAZEMKSA-N 1 0 292.810 2.763 50 0 CFAARO C/C(=C\C(=O)N(C)C1CC[NH2+]CC1)c1ccccc1Cl ZINC000269125731 132115913 /nfs/dbraw/zinc/11/59/13/132115913.db2.gz CTWNJKMRJOCVHI-VAWYXSNFSA-N 1 0 292.810 2.954 50 0 CFAARO CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000179048709 393450877 /nfs/dbraw/zinc/45/08/77/393450877.db2.gz LMHODLXVISKUSA-SSDOTTSWSA-N 1 0 291.153 2.566 50 0 CFAARO CC(C)(C)OC(=O)N1CCCc2ccc(CCC[NH3+])nc21 ZINC000002527467 393453338 /nfs/dbraw/zinc/45/33/38/393453338.db2.gz OFEIZXQEHYYUPC-UHFFFAOYSA-N 1 0 291.395 2.661 50 0 CFAARO C[C@H]1CCC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000007787650 393466603 /nfs/dbraw/zinc/46/66/03/393466603.db2.gz YLLDNFBWFYNMME-WMLDXEAASA-N 1 0 286.419 2.912 50 0 CFAARO CC[C@H](C)[NH2+]C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434704 393470921 /nfs/dbraw/zinc/47/09/21/393470921.db2.gz JKPCDWTZUZMBCC-CYIKRSNASA-N 1 0 281.440 2.721 50 0 CFAARO CCOc1ccc(C[NH2+]Cc2cccnc2N(C)C)cc1 ZINC000012754509 393475370 /nfs/dbraw/zinc/47/53/70/393475370.db2.gz WMDTXTUQVFPMEL-UHFFFAOYSA-N 1 0 285.391 2.836 50 0 CFAARO Cc1ccc([C@H](CNc2nccnc2N(C)C)[NH+](C)C)cc1 ZINC000302195625 393490414 /nfs/dbraw/zinc/49/04/14/393490414.db2.gz OLDHVLSOJMQNFP-HNNXBMFYSA-N 1 0 299.422 2.566 50 0 CFAARO CCc1sc2ncn(CC[NH3+])c(=O)c2c1-c1ccccc1 ZINC000032511772 393514199 /nfs/dbraw/zinc/51/41/99/393514199.db2.gz ABESARWFPJAYDF-UHFFFAOYSA-N 1 0 299.399 2.646 50 0 CFAARO Fc1cc([C@H]2C[NH2+]CCO2)c(Cl)cc1Cl ZINC000037735195 393533812 /nfs/dbraw/zinc/53/38/12/393533812.db2.gz FLADAOLOZKSSFB-SNVBAGLBSA-N 1 0 250.100 2.793 50 0 CFAARO CCOc1cccc(CN(Cc2nccn2C)C2CC2)c1 ZINC000055042527 393618651 /nfs/dbraw/zinc/61/86/51/393618651.db2.gz GETAZYDZTVWTSV-UHFFFAOYSA-N 1 0 285.391 2.983 50 0 CFAARO Cc1ccc2c(c1)c(C[NH2+][C@H](C)CCn1cccn1)nn2C ZINC000065384469 393631550 /nfs/dbraw/zinc/63/15/50/393631550.db2.gz SAGAKGVFUUFHGZ-CQSZACIVSA-N 1 0 297.406 2.647 50 0 CFAARO c1ccc(CCc2n[nH]c(CC[NH+]3CCCCC3)n2)cc1 ZINC000065382230 393631678 /nfs/dbraw/zinc/63/16/78/393631678.db2.gz DBIZXHVHZMRQMQ-UHFFFAOYSA-N 1 0 284.407 2.618 50 0 CFAARO C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)[C@@H]1C[NH3+] ZINC000070176387 393638451 /nfs/dbraw/zinc/63/84/51/393638451.db2.gz IKOZVBVKFOOADI-TVQRCGJNSA-N 1 0 284.762 2.679 50 0 CFAARO Fc1ccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193997169 393671108 /nfs/dbraw/zinc/67/11/08/393671108.db2.gz ZDCLKVAMYGYFAS-CYBMUJFWSA-N 1 0 289.354 2.807 50 0 CFAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc(C)o2)cn1 ZINC000083843505 393745428 /nfs/dbraw/zinc/74/54/28/393745428.db2.gz GSMVLGIVWVHHSG-XJKSGUPXSA-N 1 0 289.379 2.672 50 0 CFAARO CC[C@H]([NH2+][C@@H](C)c1cccc2ccccc21)C(N)=O ZINC000079029487 393714255 /nfs/dbraw/zinc/71/42/55/393714255.db2.gz KCQMXCUWJLPFIV-NHYWBVRUSA-N 1 0 256.349 2.754 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[NH2+]2)C1 ZINC000091303635 393782002 /nfs/dbraw/zinc/78/20/02/393782002.db2.gz AZHAFTKTFKUDGE-OLZOCXBDSA-N 1 0 268.401 2.776 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c(C)n1C1CC1 ZINC000237427447 393793986 /nfs/dbraw/zinc/79/39/86/393793986.db2.gz LUBZZSSKOSHASG-BZNIZROVSA-N 1 0 289.423 2.639 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)c1ccncc1)CCC2 ZINC000095402201 393812015 /nfs/dbraw/zinc/81/20/15/393812015.db2.gz KEAKJMULJFTVFV-DZGCQCFKSA-N 1 0 270.380 2.815 50 0 CFAARO COc1ccccc1/C=C\C[NH2+]C1CCN(C2CC2)CC1 ZINC000096297186 393818508 /nfs/dbraw/zinc/81/85/08/393818508.db2.gz KDTBACOUBVDNLT-XQRVVYSFSA-N 1 0 286.419 2.925 50 0 CFAARO CC[NH+](CC)CC(=O)N1C[C@H](c2ccsc2)C[C@H]1C ZINC000096421769 393828583 /nfs/dbraw/zinc/82/85/83/393828583.db2.gz GSQLZUGUPORPMH-TZMCWYRMSA-N 1 0 280.437 2.794 50 0 CFAARO CNC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000096424514 393829263 /nfs/dbraw/zinc/82/92/63/393829263.db2.gz GUBWTQFUSACUDL-HNNXBMFYSA-N 1 0 260.381 2.576 50 0 CFAARO O[C@@H](C[N@H+](Cc1ccno1)C1CC1)c1ccc(F)cc1 ZINC000096424433 393829308 /nfs/dbraw/zinc/82/93/08/393829308.db2.gz GDGQLNKNWBGYBY-HNNXBMFYSA-N 1 0 276.311 2.512 50 0 CFAARO CCOC(C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)OCC ZINC000097161660 393840150 /nfs/dbraw/zinc/84/01/50/393840150.db2.gz WHCKEAHJDRQRDM-STQMWFEESA-N 1 0 273.442 2.746 50 0 CFAARO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000252668727 393937751 /nfs/dbraw/zinc/93/77/51/393937751.db2.gz FKMNKGLAXVPNMQ-HRCADAONSA-N 1 0 295.471 2.794 50 0 CFAARO Cc1ccccc1[C@@H](C)CC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153411559 394283113 /nfs/dbraw/zinc/28/31/13/394283113.db2.gz COIKARZCTHFCFS-SOUVJXGZSA-N 1 0 274.408 2.697 50 0 CFAARO C[C@H]1CCCN(C(=O)c2cccc(F)c2Cl)[C@H]1C[NH3+] ZINC000165352736 394369612 /nfs/dbraw/zinc/36/96/12/394369612.db2.gz GJSXWXCGPZVBPZ-CABZTGNLSA-N 1 0 284.762 2.679 50 0 CFAARO Fc1cccnc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000530366033 394508731 /nfs/dbraw/zinc/50/87/31/394508731.db2.gz VJWYNZFPNXIYQE-NILFDRSVSA-N 1 0 276.355 2.658 50 0 CFAARO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000546627170 394833866 /nfs/dbraw/zinc/83/38/66/394833866.db2.gz JZSWSEMDESORLD-MRVPVSSYSA-N 1 0 257.259 2.993 50 0 CFAARO Cc1ncsc1CC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000648722566 395285095 /nfs/dbraw/zinc/28/50/95/395285095.db2.gz OQLFAVOPUIOZGS-AWEZNQCLSA-N 1 0 287.432 2.863 50 0 CFAARO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000000757340 397535505 /nfs/dbraw/zinc/53/55/05/397535505.db2.gz OKHWEZROQORQCH-HNNXBMFYSA-N 1 0 260.381 2.507 50 0 CFAARO CCC[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000047935955 397588651 /nfs/dbraw/zinc/58/86/51/397588651.db2.gz IIJDJWUHPKOQEW-UHFFFAOYSA-N 1 0 292.398 2.606 50 0 CFAARO Cc1nc(C(C)(C)[NH3+])n(-c2ccc(C(C)C)cc2)n1 ZINC000825290817 782008564 /nfs/dbraw/zinc/00/85/64/782008564.db2.gz NBLKPHDFTACKBL-UHFFFAOYSA-N 1 0 258.369 2.893 50 0 CFAARO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH2+]CC1 ZINC000019735593 287133777 /nfs/dbraw/zinc/13/37/77/287133777.db2.gz SHVKMZCCXHVNMC-VIFPVBQESA-N 1 0 259.180 2.960 50 0 CFAARO CC(C)(C)OC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000002391760 169790752 /nfs/dbraw/zinc/79/07/52/169790752.db2.gz NERBLCVCQKXTEP-UHFFFAOYSA-N 1 0 268.401 2.633 50 0 CFAARO CC(C)c1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000003683903 169908117 /nfs/dbraw/zinc/90/81/17/169908117.db2.gz KMBHNKCSFTXPOO-CQSZACIVSA-N 1 0 265.397 2.938 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c(C)c1 ZINC000003865235 169917673 /nfs/dbraw/zinc/91/76/73/169917673.db2.gz LVNFKWOEAAOEKJ-HOTGVXAUSA-N 1 0 277.408 2.918 50 0 CFAARO CC(=O)Nc1ccc(/C=C\c2cccc[n+]2C)cc1 ZINC000004582334 169986640 /nfs/dbraw/zinc/98/66/40/169986640.db2.gz SEVVCHVCBMJWBP-UHFFFAOYSA-O 1 0 253.325 2.640 50 0 CFAARO CC[NH+](CC)CCOC(=O)c1ccc(-n2cccc2)cc1 ZINC000004698203 170000822 /nfs/dbraw/zinc/00/08/22/170000822.db2.gz ANJKZGQQNIAUNQ-UHFFFAOYSA-N 1 0 286.375 2.976 50 0 CFAARO COc1cccc(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000004743830 170009665 /nfs/dbraw/zinc/00/96/65/170009665.db2.gz XTSGSHNPNOHSJD-ZDUSSCGKSA-N 1 0 276.380 2.756 50 0 CFAARO CC[NH+](CC)C[C@H](O)COc1cccc2ccccc21 ZINC000004765356 170013619 /nfs/dbraw/zinc/01/36/19/170013619.db2.gz DIVDBWIIXNIKDQ-HNNXBMFYSA-N 1 0 273.376 2.921 50 0 CFAARO COc1ccc(C(=O)O[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785706 170016703 /nfs/dbraw/zinc/01/67/03/170016703.db2.gz DXLIAGZRNHJCQN-LALPHHSUSA-N 1 0 277.364 2.581 50 0 CFAARO CC(=O)c1ccc(OC(C)C)c(CSC(N)=[NH2+])c1 ZINC000004834782 170026600 /nfs/dbraw/zinc/02/66/00/170026600.db2.gz DGJDNKYGKLFFGQ-UHFFFAOYSA-N 1 0 266.366 2.803 50 0 CFAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccc(C=O)cc2)C1 ZINC000004842023 170028440 /nfs/dbraw/zinc/02/84/40/170028440.db2.gz OVNWFHJOVIZZJG-OAHLLOKOSA-N 1 0 291.391 2.626 50 0 CFAARO CC1CC[NH+](CCCOc2ccccc2CO)CC1 ZINC000004842820 170028988 /nfs/dbraw/zinc/02/89/88/170028988.db2.gz CZBXPEUZZDHGGB-UHFFFAOYSA-N 1 0 263.381 2.680 50 0 CFAARO CC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000004870258 170034492 /nfs/dbraw/zinc/03/44/92/170034492.db2.gz BHCSJGUKEOAZQM-CYBMUJFWSA-N 1 0 261.365 3.000 50 0 CFAARO C[N@H+](C[C@H](O)COc1ccccc1)C1CCCCC1 ZINC000004990654 170050586 /nfs/dbraw/zinc/05/05/86/170050586.db2.gz BPTFYUCYAIDRRA-HNNXBMFYSA-N 1 0 263.381 2.691 50 0 CFAARO COc1ccc2cc(C[NH2+]C3CCCCC3)c(=O)[nH]c2c1 ZINC000004993286 170051239 /nfs/dbraw/zinc/05/12/39/170051239.db2.gz WEHJVRRTZFOPBA-UHFFFAOYSA-N 1 0 286.375 2.959 50 0 CFAARO OCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000004999736 170052608 /nfs/dbraw/zinc/05/26/08/170052608.db2.gz ONHFDUOLIRFJRV-UHFFFAOYSA-N 1 0 251.713 2.682 50 0 CFAARO COc1ccccc1NC(=O)CC[NH+]1CCCCC1 ZINC000005023139 170057255 /nfs/dbraw/zinc/05/72/55/170057255.db2.gz KZRMTWIQQIOALX-UHFFFAOYSA-N 1 0 262.353 2.510 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COCc2ccccc2F)C1 ZINC000005524258 170107900 /nfs/dbraw/zinc/10/79/00/170107900.db2.gz SPIIONDFFFARTK-LZWOXQAQSA-N 1 0 295.398 2.681 50 0 CFAARO C[C@]1(O)C[N@H+](Cc2ccccc2)[C@H](c2ccccc2)C[C@@H]1O ZINC000005530985 170109376 /nfs/dbraw/zinc/10/93/76/170109376.db2.gz VAKBKORICCUVPK-FHWLQOOXSA-N 1 0 297.398 2.746 50 0 CFAARO C[NH+](C)CCOC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000005554138 170112720 /nfs/dbraw/zinc/11/27/20/170112720.db2.gz NZRSQLNXCTVJPK-UHFFFAOYSA-N 1 0 295.338 2.616 50 0 CFAARO C[N@H+](C[C@H](O)COCc1ccccc1)C1CCCCC1 ZINC000005674901 170126655 /nfs/dbraw/zinc/12/66/55/170126655.db2.gz NWHQDHLGPCUEJD-KRWDZBQOSA-N 1 0 277.408 2.829 50 0 CFAARO CCOc1ccc2[nH]c(SCC[NH+](C)C)nc2c1 ZINC000005686514 170129108 /nfs/dbraw/zinc/12/91/08/170129108.db2.gz YACRMCQSDPKEJH-UHFFFAOYSA-N 1 0 265.382 2.615 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000005908171 170153580 /nfs/dbraw/zinc/15/35/80/170153580.db2.gz YHSYSVGQSGCKMU-SNVBAGLBSA-N 1 0 278.179 2.863 50 0 CFAARO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)[N@@H+]2C ZINC000005996013 170165781 /nfs/dbraw/zinc/16/57/81/170165781.db2.gz QUSLQENMLDRCTO-YJNKXOJESA-N 1 0 277.339 2.565 50 0 in-vitro CFAARO Cc1sc2ncnc(NCCC[NH+](C)C)c2c1C ZINC000006280190 170188301 /nfs/dbraw/zinc/18/83/01/170188301.db2.gz QGGCAJQNEHRSRG-UHFFFAOYSA-N 1 0 264.398 2.672 50 0 CFAARO C[C@@H]1CCC[C@H](NC(=O)C[NH2+]CCc2ccccc2)[C@@H]1C ZINC000006586335 170216333 /nfs/dbraw/zinc/21/63/33/170216333.db2.gz UALCJLFEJBRVTK-INMHGKMJSA-N 1 0 288.435 2.760 50 0 CFAARO Cc1nc2sccn2c1C[NH2+]Cc1ccccc1 ZINC000006585693 170216368 /nfs/dbraw/zinc/21/63/68/170216368.db2.gz AQFWJHKLWALOGP-UHFFFAOYSA-N 1 0 257.362 2.994 50 0 CFAARO COc1ccc(OC)c([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)c1 ZINC000006642243 170221271 /nfs/dbraw/zinc/22/12/71/170221271.db2.gz YDBPAMFTYNDWQO-PVAVHDDUSA-N 1 0 291.391 2.660 50 0 CFAARO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000006651133 170222423 /nfs/dbraw/zinc/22/24/23/170222423.db2.gz QNHORKKDTZFNNY-QWHCGFSZSA-N 1 0 262.397 2.800 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](CCOc2cccc(C)c2)C1 ZINC000006702375 170229694 /nfs/dbraw/zinc/22/96/94/170229694.db2.gz KYWBWUCZGVWJDG-HNNXBMFYSA-N 1 0 291.391 2.649 50 0 CFAARO CCOC(=O)C1CC[NH+](CCOc2cccc(C)c2)CC1 ZINC000006728798 170234153 /nfs/dbraw/zinc/23/41/53/170234153.db2.gz VFNUFMFVVDFBSQ-UHFFFAOYSA-N 1 0 291.391 2.649 50 0 CFAARO Cc1ccccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000006731209 170235719 /nfs/dbraw/zinc/23/57/19/170235719.db2.gz QXJVLHHCSUQNQF-UHFFFAOYSA-N 1 0 275.396 2.989 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000007652325 170295880 /nfs/dbraw/zinc/29/58/80/170295880.db2.gz RQVJYFUWEAESGO-OAHLLOKOSA-N 1 0 285.343 2.625 50 0 CFAARO Fc1ccccc1CSc1nnc(C2CC[NH2+]CC2)o1 ZINC000008039407 170315730 /nfs/dbraw/zinc/31/57/30/170315730.db2.gz GQOVGLYJWPIACA-UHFFFAOYSA-N 1 0 293.367 2.968 50 0 CFAARO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OC ZINC000008253641 170326931 /nfs/dbraw/zinc/32/69/31/170326931.db2.gz YLRYXVGVAILIMW-UHFFFAOYSA-N 1 0 287.787 2.608 50 0 CFAARO CCOCCC[NH2+]Cc1cccc(OC)c1OCC ZINC000008253202 170327162 /nfs/dbraw/zinc/32/71/62/170327162.db2.gz VXKBIXZKVWVEKW-UHFFFAOYSA-N 1 0 267.369 2.610 50 0 CFAARO COc1cc(C[NH2+]C2CC2)cc(Br)c1OC ZINC000008469799 170336893 /nfs/dbraw/zinc/33/68/93/170336893.db2.gz LQQSMFGIPLRCSK-UHFFFAOYSA-N 1 0 286.169 2.718 50 0 CFAARO COCCC[NH2+]Cc1ccc(Br)cc1 ZINC000008728604 170350400 /nfs/dbraw/zinc/35/04/00/170350400.db2.gz OYSSYESCKNWCGW-UHFFFAOYSA-N 1 0 258.159 2.575 50 0 CFAARO Cc1csc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)n12 ZINC000009254065 170368712 /nfs/dbraw/zinc/36/87/12/170368712.db2.gz ZFPOGZFWMLFWTO-PHIMTYICSA-N 1 0 291.420 2.542 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2cccs2)CCCCC1 ZINC000011917192 170458668 /nfs/dbraw/zinc/45/86/68/170458668.db2.gz SUAMDRFVCAFUKV-UHFFFAOYSA-N 1 0 266.410 2.742 50 0 CFAARO O=C1CCCN1CCC[NH2+]Cc1c(F)cccc1Cl ZINC000013727493 170582855 /nfs/dbraw/zinc/58/28/55/170582855.db2.gz IOUPQWPGFJJLCR-UHFFFAOYSA-N 1 0 284.762 2.581 50 0 CFAARO c1cnc(Oc2cccc(C[NH2+]Cc3ccncc3)c2)nc1 ZINC000013731700 170583285 /nfs/dbraw/zinc/58/32/85/170583285.db2.gz VRGPQKZGRHBWIH-UHFFFAOYSA-N 1 0 292.342 2.954 50 0 CFAARO Cc1c2ccccc2n(C[C@H](O)C[NH3+])c1-c1ccccc1 ZINC000014001411 170615703 /nfs/dbraw/zinc/61/57/03/170615703.db2.gz OXSQDSQNXULEHA-OAHLLOKOSA-N 1 0 280.371 2.936 50 0 CFAARO CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H]12 ZINC000014987495 170651924 /nfs/dbraw/zinc/65/19/24/170651924.db2.gz XJCLMIPLNVXPDG-ILXRZTDVSA-N 1 0 259.349 2.775 50 0 biogenic,in-vitro CFAARO COc1ccccc1CNCCC[NH+]1CCCCC1 ZINC000020128701 171016156 /nfs/dbraw/zinc/01/61/56/171016156.db2.gz IWUNBGDLFCFZLH-UHFFFAOYSA-N 1 0 262.397 2.661 50 0 CFAARO O=C(CCc1ccco1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000020149272 171037616 /nfs/dbraw/zinc/03/76/16/171037616.db2.gz BQKXKLVZWXVQCD-HNNXBMFYSA-N 1 0 290.407 2.547 50 0 CFAARO [NH3+]CCn1c2ccccc2nc1Cc1ccccc1 ZINC000020223173 171086063 /nfs/dbraw/zinc/08/60/63/171086063.db2.gz INGOQHDQCBYOGS-UHFFFAOYSA-N 1 0 251.333 2.586 50 0 CFAARO Cc1nc(CN[C@H](C[NH+](C)C)c2ccccc2)cs1 ZINC000020253242 171106018 /nfs/dbraw/zinc/10/60/18/171106018.db2.gz IHQMBTMHFYTUBP-OAHLLOKOSA-N 1 0 275.421 2.844 50 0 CFAARO c1csc(CNCC[NH2+]Cc2cccs2)c1 ZINC000020365458 171164198 /nfs/dbraw/zinc/16/41/98/171164198.db2.gz HNSKBPMULGFUHS-UHFFFAOYSA-N 1 0 252.408 2.689 50 0 CFAARO CC[C@@H](C)c1ccccc1OCC[NH2+]CCN(C)C ZINC000020418784 171183988 /nfs/dbraw/zinc/18/39/88/171183988.db2.gz LYEZZJJQBRABHF-CQSZACIVSA-N 1 0 264.413 2.730 50 0 CFAARO CCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020457744 171208896 /nfs/dbraw/zinc/20/88/96/171208896.db2.gz MVFSSBZNXRLHGM-ZDUSSCGKSA-N 1 0 260.381 2.668 50 0 CFAARO C[C@@H]1CCC[N@H+](CCC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000020537864 171241144 /nfs/dbraw/zinc/24/11/44/171241144.db2.gz YKKLNZGNEQCLRA-CQSZACIVSA-N 1 0 292.398 2.906 50 0 CFAARO CC(C)[N@@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@@H]1C ZINC000020568781 171255457 /nfs/dbraw/zinc/25/54/57/171255457.db2.gz MXEBPWWSMMUJEM-HNNXBMFYSA-N 1 0 298.434 2.991 50 0 CFAARO CC[C@@H](C)Oc1cccc(OCCN2CCOCC2)c1 ZINC000020653266 171268860 /nfs/dbraw/zinc/26/88/60/171268860.db2.gz PZJGIZYAQQNUFB-CQSZACIVSA-N 1 0 279.380 2.575 50 0 CFAARO CC(C)Oc1ccc(OCCCN2CCOCC2)cc1 ZINC000020652707 171269072 /nfs/dbraw/zinc/26/90/72/171269072.db2.gz YVDJKPNYGOBIFZ-UHFFFAOYSA-N 1 0 279.380 2.575 50 0 CFAARO CCOC(=O)C[C@@H]([NH2+]Cc1ccncc1)c1cccs1 ZINC000020664974 171269665 /nfs/dbraw/zinc/26/96/65/171269665.db2.gz MFRHNRWVJXZCFB-CYBMUJFWSA-N 1 0 290.388 2.927 50 0 CFAARO COc1ccc(C[NH2+]C2CC2)cc1Br ZINC000020927687 171280279 /nfs/dbraw/zinc/28/02/79/171280279.db2.gz RKWLSASPLVQPFQ-UHFFFAOYSA-N 1 0 256.143 2.710 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCN2CCCC2=O)cc1 ZINC000020925357 171280619 /nfs/dbraw/zinc/28/06/19/171280619.db2.gz UZYCPEIOMNRVIO-UHFFFAOYSA-N 1 0 290.407 2.578 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000020967725 171282477 /nfs/dbraw/zinc/28/24/77/171282477.db2.gz GLXBPFWFECATSO-CYBMUJFWSA-N 1 0 282.815 2.923 50 0 CFAARO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000021782680 171322545 /nfs/dbraw/zinc/32/25/45/171322545.db2.gz RNYZUDDFIJIKGM-LBPRGKRZSA-N 1 0 257.337 2.969 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](O)c2ccccc2)cc1OC ZINC000021983376 171344931 /nfs/dbraw/zinc/34/49/31/171344931.db2.gz CGEUGWRWCSCAOA-OAHLLOKOSA-N 1 0 287.359 2.527 50 0 CFAARO Cc1ccc(SCCC[NH2+]CCN(C)C)cc1 ZINC000022588176 171393165 /nfs/dbraw/zinc/39/31/65/171393165.db2.gz ICTQXDABNWYMAF-UHFFFAOYSA-N 1 0 252.427 2.628 50 0 CFAARO COc1ccc(CC[NH2+]C2Cc3ccccc3C2)cc1 ZINC000023282521 171418863 /nfs/dbraw/zinc/41/88/63/171418863.db2.gz LPRUXYNDJLIOHS-UHFFFAOYSA-N 1 0 267.372 2.995 50 0 CFAARO COc1cc2nc(NCCC[NH+](C)C)sc2cc1OC ZINC000034936061 171896175 /nfs/dbraw/zinc/89/61/75/171896175.db2.gz CMHUHIQNRMIGCF-UHFFFAOYSA-N 1 0 295.408 2.677 50 0 CFAARO CC(C)C[C@H]([NH2+]CC(=O)NC(C)C)c1ccccc1 ZINC000035148339 172010085 /nfs/dbraw/zinc/01/00/85/172010085.db2.gz MQSVXHPXCCUZHZ-HNNXBMFYSA-N 1 0 262.397 2.888 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(Cl)s1 ZINC000035259041 172091898 /nfs/dbraw/zinc/09/18/98/172091898.db2.gz VWUOQBPZIRJYCF-VIFPVBQESA-N 1 0 255.774 2.776 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000035273926 172094139 /nfs/dbraw/zinc/09/41/39/172094139.db2.gz IDLNEXGQDVWPOB-UHFFFAOYSA-N 1 0 267.279 2.609 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COCCOc1ccc(C(C)C)cc1 ZINC000035590824 172287360 /nfs/dbraw/zinc/28/73/60/172287360.db2.gz GHSWMWZJVBUXAN-MRXNPFEDSA-N 1 0 295.423 2.564 50 0 CFAARO C[C@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000037255552 173066702 /nfs/dbraw/zinc/06/67/02/173066702.db2.gz RBZJECFBVRYYAZ-SMDDNHRTSA-N 1 0 264.344 2.933 50 0 CFAARO Cn1c2ccc(Cl)cc2nc1CCCCC[NH3+] ZINC000037440185 173210659 /nfs/dbraw/zinc/21/06/59/173210659.db2.gz HYTPJUKNVMEZON-UHFFFAOYSA-N 1 0 251.761 2.898 50 0 CFAARO COc1ccc2c(c1)CC[N@@H+](C[C@H]1CCCCO1)C2 ZINC000661737954 414184756 /nfs/dbraw/zinc/18/47/56/414184756.db2.gz MVLHNOYBJUPEHB-MRXNPFEDSA-N 1 0 261.365 2.622 50 0 CFAARO CC(C)([NH2+]Cc1ccccc1N)[C@H](O)c1ccccc1 ZINC000039257923 174167605 /nfs/dbraw/zinc/16/76/05/174167605.db2.gz GCKLXOZWXQZAKZ-MRXNPFEDSA-N 1 0 270.376 2.871 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)C(C)C)c1ccccc1 ZINC000039975657 174180641 /nfs/dbraw/zinc/18/06/41/174180641.db2.gz BLSORVNEJJXBGW-OAHLLOKOSA-N 1 0 262.397 2.842 50 0 CFAARO O=C(Cc1ccccc1Cl)NCCC[NH+]1CCCCC1 ZINC000039985001 174181670 /nfs/dbraw/zinc/18/16/70/174181670.db2.gz QOSSQQFUEPUIMZ-UHFFFAOYSA-N 1 0 294.826 2.875 50 0 CFAARO CC1CC[NH+](CCCNC(=O)CC2CCCC2)CC1 ZINC000039985590 174181932 /nfs/dbraw/zinc/18/19/32/174181932.db2.gz GAIWNVFOLXRDIK-UHFFFAOYSA-N 1 0 266.429 2.805 50 0 CFAARO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc(F)c1 ZINC000040095878 174190196 /nfs/dbraw/zinc/19/01/96/174190196.db2.gz MAUKBPLTPSWTIY-NSHDSACASA-N 1 0 267.348 2.678 50 0 CFAARO C[C@H]1CCSCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000286134850 196507903 /nfs/dbraw/zinc/50/79/03/196507903.db2.gz MVTGPIYJRYSFIE-LBPRGKRZSA-N 1 0 251.395 2.506 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C[C@H]1C=CCC1)c1cccs1 ZINC000040465377 174274525 /nfs/dbraw/zinc/27/45/25/174274525.db2.gz YTOLMDGCMLCHAO-STQMWFEESA-N 1 0 278.421 2.823 50 0 CFAARO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCO2)c1OC ZINC000040722112 174385615 /nfs/dbraw/zinc/38/56/15/174385615.db2.gz UWDAYQJUTQJFAR-LBPRGKRZSA-N 1 0 285.771 2.626 50 0 CFAARO CC[NH+]1CCC(CNC(=O)c2c(F)cccc2Cl)CC1 ZINC000048264880 175424411 /nfs/dbraw/zinc/42/44/11/175424411.db2.gz LRCQSHGDFWTJEL-UHFFFAOYSA-N 1 0 298.789 2.941 50 0 CFAARO COCCCCC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000058136311 175608054 /nfs/dbraw/zinc/60/80/54/175608054.db2.gz MSOOMTMGEKRHQK-HZPDHXFCSA-N 1 0 298.471 2.677 50 0 CFAARO c1c2ccccc2oc1-c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000062256920 175666640 /nfs/dbraw/zinc/66/66/40/175666640.db2.gz SVIMJEBCEXJLGB-NSHDSACASA-N 1 0 269.304 2.950 50 0 CFAARO O=C(C1CCC1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288714 175708108 /nfs/dbraw/zinc/70/81/08/175708108.db2.gz UBTKVYLUWMPZPQ-OAHLLOKOSA-N 1 0 264.413 2.654 50 0 CFAARO Cc1cnn(-c2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000065369978 175722224 /nfs/dbraw/zinc/72/22/24/175722224.db2.gz ZUZIURNLLFTSJE-UHFFFAOYSA-N 1 0 271.364 2.655 50 0 CFAARO CC/C=C(/C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000065499563 175744279 /nfs/dbraw/zinc/74/42/79/175744279.db2.gz HBPGZMIGFSPPPU-CHHVJCJISA-N 1 0 286.419 2.907 50 0 CFAARO CCC[N@H+](C[C@@H](O)COCc1cccs1)CC1CC1 ZINC000068045764 175806175 /nfs/dbraw/zinc/80/61/75/175806175.db2.gz CUHPWKOJKQRNHX-CQSZACIVSA-N 1 0 283.437 2.748 50 0 CFAARO C[C@H]([NH3+])CC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000261867807 298951178 /nfs/dbraw/zinc/95/11/78/298951178.db2.gz QIAISWIVAQWDLD-KSSFIOAISA-N 1 0 286.419 2.620 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000071143305 176040818 /nfs/dbraw/zinc/04/08/18/176040818.db2.gz HJYXLBPCGSJLLW-VIFPVBQESA-N 1 0 287.190 2.675 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000071376013 176141098 /nfs/dbraw/zinc/14/10/98/176141098.db2.gz ADQVPTVCHMSGJQ-LSDHHAIUSA-N 1 0 274.408 2.822 50 0 CFAARO CC(C)([NH3+])C(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071497988 176191934 /nfs/dbraw/zinc/19/19/34/176191934.db2.gz ZKWJMUIPIPCMFQ-AWEZNQCLSA-N 1 0 292.398 2.734 50 0 CFAARO CCc1nccc(C[NH+]2CCC(c3ccncc3)CC2)n1 ZINC000071707753 176248456 /nfs/dbraw/zinc/24/84/56/176248456.db2.gz IHBRNMBXNIAZAP-UHFFFAOYSA-N 1 0 282.391 2.814 50 0 CFAARO C[C@@H](c1ccc(-c2nccn2CCCO)cc1)[NH+](C)C ZINC000071746934 176259037 /nfs/dbraw/zinc/25/90/37/176259037.db2.gz UNDGTXBJZWWESJ-ZDUSSCGKSA-N 1 0 273.380 2.555 50 0 CFAARO OCC1(Cc2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000071760303 176261360 /nfs/dbraw/zinc/26/13/60/176261360.db2.gz CKQCZUCYLFZOAW-UHFFFAOYSA-N 1 0 273.298 2.610 50 0 CFAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCCN(C)C1 ZINC000071820844 176270720 /nfs/dbraw/zinc/27/07/20/176270720.db2.gz JFUODDKHNQMSME-INIZCTEOSA-N 1 0 298.434 2.673 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000071831338 176272873 /nfs/dbraw/zinc/27/28/73/176272873.db2.gz SGCPTWGOSXAQFO-LBPRGKRZSA-N 1 0 298.390 2.696 50 0 CFAARO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2o1 ZINC000071834742 176273251 /nfs/dbraw/zinc/27/32/51/176273251.db2.gz VACOMLXZXRQBSF-CQSZACIVSA-N 1 0 286.375 2.989 50 0 CFAARO C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000071834734 176273575 /nfs/dbraw/zinc/27/35/75/176273575.db2.gz QXLYYRNSFYADHT-OAHLLOKOSA-N 1 0 299.418 2.653 50 0 CFAARO CCOc1cccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)c1 ZINC000071842073 176274648 /nfs/dbraw/zinc/27/46/48/176274648.db2.gz MYXFSXQSDVGEFF-LLVKDONJSA-N 1 0 259.353 2.968 50 0 CFAARO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)[C@H](C)n1cccn1 ZINC000071882037 176288870 /nfs/dbraw/zinc/28/88/70/176288870.db2.gz FVRMCZYCHFNMFI-HUBLWGQQSA-N 1 0 293.798 2.809 50 0 CFAARO Cc1nnc(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)o1 ZINC000071904659 176295806 /nfs/dbraw/zinc/29/58/06/176295806.db2.gz FNDSBJJHTSFBNP-OAHLLOKOSA-N 1 0 271.364 2.894 50 0 CFAARO O[C@H]1C[C@H](C2CCCCC2)[N@H+](CCc2ccncc2)C1 ZINC000071907944 176296732 /nfs/dbraw/zinc/29/67/32/176296732.db2.gz XXBWFZPNZNZKLD-DLBZAZTESA-N 1 0 274.408 2.640 50 0 CFAARO CC[C@@H]1CN(Cc2ncccc2F)CC[N@@H+]1C(C)C ZINC000072146080 176325236 /nfs/dbraw/zinc/32/52/36/176325236.db2.gz CZBOIZFTJDMIAQ-CYBMUJFWSA-N 1 0 265.376 2.525 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(CCc2ccccc2)C1 ZINC000072156513 176328580 /nfs/dbraw/zinc/32/85/80/176328580.db2.gz MUADVOQSKDXVBF-HNNXBMFYSA-N 1 0 258.409 2.788 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(Cc2nc3ccccc3n2C)C1 ZINC000072170196 176332099 /nfs/dbraw/zinc/33/20/99/176332099.db2.gz XFNKKNLKGIDAOE-AWEZNQCLSA-N 1 0 298.434 2.632 50 0 CFAARO CC[NH+](CC)CCNC(=O)c1cc2occc2c(OC)c1 ZINC000072240091 176347815 /nfs/dbraw/zinc/34/78/15/176347815.db2.gz FRCSFENLAIFACQ-UHFFFAOYSA-N 1 0 290.363 2.513 50 0 CFAARO Cc1ncc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)s1 ZINC000072273107 176354891 /nfs/dbraw/zinc/35/48/91/176354891.db2.gz XPIIWCUOKANCGI-NSHDSACASA-N 1 0 262.382 2.554 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000076723237 177070635 /nfs/dbraw/zinc/07/06/35/177070635.db2.gz HAZVEOOVLFBKJP-CYBMUJFWSA-N 1 0 268.401 2.918 50 0 CFAARO c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2ccccn2)cn1 ZINC000077556432 177280569 /nfs/dbraw/zinc/28/05/69/177280569.db2.gz HRNYGGQDQXJFSP-INIZCTEOSA-N 1 0 270.380 2.723 50 0 CFAARO CN(CC[NH+](C)C)C(=O)Nc1cccc(-n2cccc2)c1 ZINC000078548172 177352777 /nfs/dbraw/zinc/35/27/77/177352777.db2.gz ZYCBOVHXKLHTSF-UHFFFAOYSA-N 1 0 286.379 2.503 50 0 CFAARO COCCC[NH+]1CCC(Nc2ccc(Cl)cn2)CC1 ZINC000078658168 177367459 /nfs/dbraw/zinc/36/74/59/177367459.db2.gz QVJMKWVHGVFSPS-UHFFFAOYSA-N 1 0 283.803 2.648 50 0 CFAARO NC(=O)C1([NH2+]Cc2ccc(Cl)cc2)CCCCC1 ZINC000078659452 177367643 /nfs/dbraw/zinc/36/76/43/177367643.db2.gz AICSEDMTYMZGGX-UHFFFAOYSA-N 1 0 266.772 2.618 50 0 CFAARO CC(C)c1nc([C@@H]2CCCN2CC[NH+]2CCCCC2)no1 ZINC000078824438 177394472 /nfs/dbraw/zinc/39/44/72/177394472.db2.gz DDTAGLMXVKWZRE-AWEZNQCLSA-N 1 0 292.427 2.816 50 0 CFAARO CN(C(=O)[C@@H]1CCCc2ccccc21)C1CC[NH+](C)CC1 ZINC000032755107 260145560 /nfs/dbraw/zinc/14/55/60/260145560.db2.gz NWYSNJXUOZXJQT-QGZVFWFLSA-N 1 0 286.419 2.659 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000155480852 261102789 /nfs/dbraw/zinc/10/27/89/261102789.db2.gz GKJSEPYEWPAHMA-CQSZACIVSA-N 1 0 257.337 2.722 50 0 CFAARO CC[C@H](C)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000195615039 262253983 /nfs/dbraw/zinc/25/39/83/262253983.db2.gz SNVIQEZPEVIMIF-KFWWJZLASA-N 1 0 283.460 2.842 50 0 CFAARO Brc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000014631717 273473261 /nfs/dbraw/zinc/47/32/61/273473261.db2.gz OWGPKBGDUAIXRS-NSHDSACASA-N 1 0 256.143 2.580 50 0 CFAARO CC/C=C(\C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000101395813 273577418 /nfs/dbraw/zinc/57/74/18/273577418.db2.gz IEQSGZYNKHGYDE-BMQCOBNYSA-N 1 0 260.381 2.762 50 0 CFAARO C[C@@H]1CN(Cc2cccc(O)c2)c2ccccc2C[NH2+]1 ZINC000094690572 274354551 /nfs/dbraw/zinc/35/45/51/274354551.db2.gz LCFJZZQHVUQGAA-CYBMUJFWSA-N 1 0 268.360 2.891 50 0 CFAARO Cn1c2ccccc2nc1[C@H]([NH3+])Cc1ccccc1 ZINC000020270852 274889435 /nfs/dbraw/zinc/88/94/35/274889435.db2.gz GUMPLZVLDSGQHF-CYBMUJFWSA-N 1 0 251.333 2.816 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](/C=C\c2ccccc2)N1 ZINC000038162892 274943316 /nfs/dbraw/zinc/94/33/16/274943316.db2.gz YKEVULXNKMWCPY-WOLCWHLNSA-N 1 0 289.342 2.798 50 0 CFAARO OC[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000252486378 275048637 /nfs/dbraw/zinc/04/86/37/275048637.db2.gz JMYJZCDPNOLWES-WBMJQRKESA-N 1 0 263.356 2.907 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000085334119 275055143 /nfs/dbraw/zinc/05/51/43/275055143.db2.gz VQIJJKBMLXCPQA-QZTJIDSGSA-N 1 0 278.355 2.916 50 0 CFAARO c1ccc2c(c1)[nH]c1c2C[N@H+](C[C@@H]2CCOC2)CC1 ZINC000077287923 275071067 /nfs/dbraw/zinc/07/10/67/275071067.db2.gz SDDCQBREURKQEK-LBPRGKRZSA-N 1 0 256.349 2.563 50 0 CFAARO CC(C)CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000122589143 275564187 /nfs/dbraw/zinc/56/41/87/275564187.db2.gz UCBDFBULKJJKKJ-GJZGRUSLSA-N 1 0 266.429 2.803 50 0 CFAARO CC/C=C(/C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000065539331 275800852 /nfs/dbraw/zinc/80/08/52/275800852.db2.gz IEQSGZYNKHGYDE-CTXBLAANSA-N 1 0 260.381 2.762 50 0 CFAARO CC1CC[NH+](CCN2CCn3c4ccccc4nc32)CC1 ZINC000000203811 275939421 /nfs/dbraw/zinc/93/94/21/275939421.db2.gz IOMGHBAYXDJPBR-UHFFFAOYSA-N 1 0 284.407 2.588 50 0 CFAARO CC[NH+](CC)[C@H](C(=O)NCc1cccnc1)c1ccccc1 ZINC000065551545 276338042 /nfs/dbraw/zinc/33/80/42/276338042.db2.gz LNSHQNWCIBEYGJ-KRWDZBQOSA-N 1 0 297.402 2.781 50 0 CFAARO CC[S@@](=O)[C@H]1CCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000095423655 276681217 /nfs/dbraw/zinc/68/12/17/276681217.db2.gz PBUJFFYRTVJLAV-ZWOKBUDYSA-N 1 0 291.460 2.823 50 0 CFAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000072140299 276794101 /nfs/dbraw/zinc/79/41/01/276794101.db2.gz HPCYSALVGVKMGX-LBPRGKRZSA-N 1 0 296.798 2.602 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000095353867 277042970 /nfs/dbraw/zinc/04/29/70/277042970.db2.gz HJPSKPVHCPCDTR-LBPRGKRZSA-N 1 0 258.325 2.679 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000091303640 277186845 /nfs/dbraw/zinc/18/68/45/277186845.db2.gz VFMSLOWWMDXQQG-STQMWFEESA-N 1 0 268.401 2.633 50 0 CFAARO CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)[NH2+]CC[C@H]12 ZINC000095707558 277192481 /nfs/dbraw/zinc/19/24/81/277192481.db2.gz XNMFFEJCPXOIHP-YOEHRIQHSA-N 1 0 288.391 2.885 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC000299738840 277286218 /nfs/dbraw/zinc/28/62/18/277286218.db2.gz HDFRWVGCMOYXRK-LLVKDONJSA-N 1 0 266.410 2.553 50 0 CFAARO CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000071925555 277384614 /nfs/dbraw/zinc/38/46/14/277384614.db2.gz CQVNVUXMHXVREF-GASCZTMLSA-N 1 0 295.471 2.794 50 0 CFAARO CC(C)C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1ccccn1 ZINC000096478683 277490562 /nfs/dbraw/zinc/49/05/62/277490562.db2.gz OIAKCPUYYUPIAR-BPUTZDHNSA-N 1 0 262.397 2.919 50 0 CFAARO CS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2)C1 ZINC000229836881 278147517 /nfs/dbraw/zinc/14/75/17/278147517.db2.gz OSWISLHGYOIZBU-RRFJBIMHSA-N 1 0 265.422 2.936 50 0 CFAARO C[C@H](CC[N@@H+]1CCOC[C@@]12CCOC2)c1ccccc1 ZINC000195010433 278172671 /nfs/dbraw/zinc/17/26/71/278172671.db2.gz BWWAZDMPKBZJHE-WBVHZDCISA-N 1 0 275.392 2.672 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCF)CC1 ZINC000183620649 278390136 /nfs/dbraw/zinc/39/01/36/278390136.db2.gz LIIDMUWJUGRVAK-GFCCVEGCSA-N 1 0 274.380 2.725 50 0 CFAARO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NC1CCCCC1 ZINC000006007654 278493434 /nfs/dbraw/zinc/49/34/34/278493434.db2.gz INQCLXMFWNEMJW-CHWSQXEVSA-N 1 0 252.402 2.698 50 0 CFAARO ClC1=CC[C@H]2C[N@H+](CCN3CCCCC3)C[C@H]2C1 ZINC000022045118 279290028 /nfs/dbraw/zinc/29/00/28/279290028.db2.gz VBAVWASTSFNHBO-UONOGXRCSA-N 1 0 268.832 2.937 50 0 CFAARO O=C(c1ccncc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000065288705 280220521 /nfs/dbraw/zinc/22/05/21/280220521.db2.gz SKCDSKOLPQMQAA-MRXNPFEDSA-N 1 0 287.407 2.562 50 0 CFAARO Cc1cc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c(C)c1 ZINC000091440778 280382636 /nfs/dbraw/zinc/38/26/36/280382636.db2.gz OVCYAVCNDDJGGB-JKSUJKDBSA-N 1 0 286.419 2.778 50 0 CFAARO O=[n+]1c(-c2ccccc2)cn(O)c2c1CCCCC2 ZINC000334157301 280384684 /nfs/dbraw/zinc/38/46/84/280384684.db2.gz BRYODFHROVOJIR-UHFFFAOYSA-N 1 0 257.313 2.576 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000095423896 280578634 /nfs/dbraw/zinc/57/86/34/280578634.db2.gz UYQRWCDWGNMKLE-DZGCQCFKSA-N 1 0 288.391 2.501 50 0 CFAARO Cc1ccc(C[NH2+][C@H](CCO)C2CCCCC2)nc1 ZINC000096486314 280832325 /nfs/dbraw/zinc/83/23/25/280832325.db2.gz AESUXGRMLICWKE-MRXNPFEDSA-N 1 0 262.397 2.811 50 0 CFAARO CCn1cc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000248698956 288708979 /nfs/dbraw/zinc/70/89/79/288708979.db2.gz FJYFVONCNYBCRZ-ZGKBOVNRSA-N 1 0 275.396 2.511 50 0 CFAARO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249285185 295113618 /nfs/dbraw/zinc/11/36/18/295113618.db2.gz PAZDUNOFRLQDLK-WISYIIOYSA-N 1 0 292.345 2.741 50 0 CFAARO Cc1ccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000009484474 301572429 /nfs/dbraw/zinc/57/24/29/301572429.db2.gz QDVFLEYMBLKEOH-GOSISDBHSA-N 1 0 296.414 2.957 50 0 CFAARO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091540369 302149670 /nfs/dbraw/zinc/14/96/70/302149670.db2.gz ZSQZGBYITNVUTG-YCPHGPKFSA-N 1 0 272.392 2.786 50 0 CFAARO Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)n1C(F)F ZINC000534578259 328310949 /nfs/dbraw/zinc/31/09/49/328310949.db2.gz OVZKWKIIOCTHNY-LBPRGKRZSA-N 1 0 299.365 2.653 50 0 CFAARO COc1ccccc1-c1cc(C[NH2+][C@H]2CCCOC2)on1 ZINC000534593135 328318926 /nfs/dbraw/zinc/31/89/26/328318926.db2.gz OSNKMMBCRGGXGZ-LBPRGKRZSA-N 1 0 288.347 2.619 50 0 CFAARO Clc1ccc(CC2([NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000534593164 328318933 /nfs/dbraw/zinc/31/89/33/328318933.db2.gz ZGVVRZMPEIVTKL-CYBMUJFWSA-N 1 0 251.757 2.794 50 0 CFAARO C[C@H](CC[NH+](C)C)NCc1nn(C)c2cccc(Cl)c12 ZINC000534632415 328331893 /nfs/dbraw/zinc/33/18/93/328331893.db2.gz JZSSKNBEHFXQHO-LLVKDONJSA-N 1 0 294.830 2.657 50 0 CFAARO CC[NH+](CC)CC1(NC(=O)c2cccc(C)c2F)CC1 ZINC000534637351 328334213 /nfs/dbraw/zinc/33/42/13/328334213.db2.gz AYAUZPPUUJDFQU-UHFFFAOYSA-N 1 0 278.371 2.738 50 0 CFAARO CCCc1nc(C)c(C[NH2+][C@@H]2CCCOC2)s1 ZINC000534651703 328337450 /nfs/dbraw/zinc/33/74/50/328337450.db2.gz XSBOMXXBFAOSBV-LLVKDONJSA-N 1 0 254.399 2.673 50 0 CFAARO CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000534653028 328338294 /nfs/dbraw/zinc/33/82/94/328338294.db2.gz AKDSONYFFHQVGC-GRLYAWNKSA-N 1 0 272.392 2.676 50 0 CFAARO COc1ccnc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)n1 ZINC000534648389 328343429 /nfs/dbraw/zinc/34/34/29/328343429.db2.gz LGFHAKOXSRBOCI-CYBMUJFWSA-N 1 0 290.411 2.552 50 0 CFAARO CC(C)c1cc(C[NH2+][C@@H](C)CCn2cccn2)no1 ZINC000534657556 328341042 /nfs/dbraw/zinc/34/10/42/328341042.db2.gz CUFBDWPKDGAKGN-LBPRGKRZSA-N 1 0 262.357 2.563 50 0 CFAARO CCCc1nc(CNC(=O)[C@H]2CCCCC[N@@H+]2C)cs1 ZINC000534673814 328349037 /nfs/dbraw/zinc/34/90/37/328349037.db2.gz CIKSPSMLDALQBP-CYBMUJFWSA-N 1 0 295.452 2.586 50 0 CFAARO C[C@@H](Cn1cncn1)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534662644 328350389 /nfs/dbraw/zinc/35/03/89/328350389.db2.gz DCHGWMGNCBPYOK-LBPRGKRZSA-N 1 0 290.798 2.685 50 0 CFAARO CCC[C@@H](CNc1ccc2cccc(OC)c2n1)[NH+](C)C ZINC000534676927 328352082 /nfs/dbraw/zinc/35/20/82/328352082.db2.gz SFOFKKBTKZHZHJ-AWEZNQCLSA-N 1 0 287.407 2.808 50 0 CFAARO CC(C)n1nnnc1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000097103598 323619025 /nfs/dbraw/zinc/61/90/25/323619025.db2.gz FCRCDAIKMQHXOG-CABCVRRESA-N 1 0 285.395 2.680 50 0 CFAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCn1cnnc1C1CC1 ZINC000152588893 323627201 /nfs/dbraw/zinc/62/72/01/323627201.db2.gz BOGFYYRZCJJFCH-DZGCQCFKSA-N 1 0 274.412 2.738 50 0 CFAARO Clc1cnn(C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000195556578 324108325 /nfs/dbraw/zinc/10/83/25/324108325.db2.gz OUZDVIHSVGFISP-UHFFFAOYSA-N 1 0 265.744 2.967 50 0 CFAARO COC(=O)C1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000195572796 324109116 /nfs/dbraw/zinc/10/91/16/324109116.db2.gz ZYEKFYVRGUARSV-LBPRGKRZSA-N 1 0 279.355 2.814 50 0 CFAARO C[C@H](CC[NH2+][C@@H]1CCCOc2cc(F)ccc21)[S@@](C)=O ZINC000195557728 324109262 /nfs/dbraw/zinc/10/92/62/324109262.db2.gz AHSZKZKCHCOLFP-QRVQBPJGSA-N 1 0 299.411 2.786 50 0 CFAARO CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](C)c2ccc(F)cc2)C1 ZINC000195573096 324109489 /nfs/dbraw/zinc/10/94/89/324109489.db2.gz PJWBEXXTLAOJEG-HIFRSBDPSA-N 1 0 292.398 2.729 50 0 CFAARO Cc1cc(OCCCN2CC[NH2+]CC2)cc(C)c1Cl ZINC000019728685 326856720 /nfs/dbraw/zinc/85/67/20/326856720.db2.gz QGXRKEVNTXOVHL-UHFFFAOYSA-N 1 0 282.815 2.631 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(OCC(C)C)c(OC)c1 ZINC000032919367 326898489 /nfs/dbraw/zinc/89/84/89/326898489.db2.gz ODDAFYLVGVNFPO-CYBMUJFWSA-N 1 0 295.379 2.683 50 0 CFAARO CCOCCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)C1 ZINC000071908770 327105963 /nfs/dbraw/zinc/10/59/63/327105963.db2.gz KHKHBMOJXSMUPN-CABCVRRESA-N 1 0 298.471 2.676 50 0 CFAARO OC[C@@H]1CCCC[N@@H+]1CCCNc1ccc2ccccc2n1 ZINC000828710785 782103580 /nfs/dbraw/zinc/10/35/80/782103580.db2.gz FAZQTKMOIPBNPR-INIZCTEOSA-N 1 0 299.418 2.884 50 0 CFAARO O[C@H]1CC[C@H](C[NH+]2CCC(CCn3cccn3)CC2)CC1 ZINC000828865463 782112588 /nfs/dbraw/zinc/11/25/88/782112588.db2.gz RACYQOVBSMOWBH-QAQDUYKDSA-N 1 0 291.439 2.536 50 0 CFAARO CCn1cc(C[NH2+]C[C@H]2C[C@@]23CCc2ccccc23)cn1 ZINC000088745145 500758382 /nfs/dbraw/zinc/75/83/82/500758382.db2.gz VVMCGBRUSKBLCD-AEFFLSMTSA-N 1 0 281.403 2.897 50 0 CFAARO C[C@H]1CCC[C@](CNC(=O)Nc2cccnc2)([NH+](C)C)C1 ZINC000058055747 500936046 /nfs/dbraw/zinc/93/60/46/500936046.db2.gz SIJGSXDRQNKOMV-BBRMVZONSA-N 1 0 290.411 2.714 50 0 CFAARO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000096476941 533964139 /nfs/dbraw/zinc/96/41/39/533964139.db2.gz MLAUCBIEPJLWHD-WDEREUQCSA-N 1 0 268.382 2.630 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C1 ZINC000096477553 534135104 /nfs/dbraw/zinc/13/51/04/534135104.db2.gz URLDGLUOTOXKON-SPUZQDLCSA-N 1 0 288.435 2.715 50 0 CFAARO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C)cc1C ZINC000244734351 522193645 /nfs/dbraw/zinc/19/36/45/522193645.db2.gz NDYMOTGQDAHZLB-WBVHZDCISA-N 1 0 288.435 2.981 50 0 CFAARO C[N@H+](CCOc1ccccc1)CCc1ccncc1 ZINC000041326887 522914911 /nfs/dbraw/zinc/91/49/11/522914911.db2.gz KJHXDYWKZJJNTM-UHFFFAOYSA-N 1 0 256.349 2.635 50 0 CFAARO CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178569048 523006005 /nfs/dbraw/zinc/00/60/05/523006005.db2.gz DBVAGIDWUKWYFL-SBDDDAINSA-N 1 0 298.386 2.816 50 0 CFAARO C[C@H]1CC[C@H](C[NH+]2CCC(Cc3cccnc3)CC2)O1 ZINC000376997516 524406034 /nfs/dbraw/zinc/40/60/34/524406034.db2.gz MKVUBWNENOBWNR-WMLDXEAASA-N 1 0 274.408 2.904 50 0 CFAARO O=C1OCCN1c1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000096501562 534808906 /nfs/dbraw/zinc/80/89/06/534808906.db2.gz POVVTLUAJDTSNA-UHFFFAOYSA-N 1 0 288.372 2.995 50 0 CFAARO COc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)cc1 ZINC000068045691 524973603 /nfs/dbraw/zinc/97/36/03/524973603.db2.gz SZFJCQHMBGSZCD-OAHLLOKOSA-N 1 0 293.407 2.701 50 0 CFAARO C[C@@]1(c2ccccc2)CCC(=O)N([C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000244873275 525895145 /nfs/dbraw/zinc/89/51/45/525895145.db2.gz WNDCJTAFORDPQO-SOLBZPMBSA-N 1 0 286.419 2.837 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)cc1F ZINC000156241287 526250594 /nfs/dbraw/zinc/25/05/94/526250594.db2.gz HEOOCKGNQHMBRO-QWRGUYRKSA-N 1 0 298.789 2.987 50 0 CFAARO c1cc(CCC[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccn1 ZINC000360454381 526418637 /nfs/dbraw/zinc/41/86/37/526418637.db2.gz IXIBEJNPDWFQJU-HOTGVXAUSA-N 1 0 260.381 2.515 50 0 CFAARO O=C(OCC[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000000210723 526419411 /nfs/dbraw/zinc/41/94/11/526419411.db2.gz HSQRQXWTFFKOSH-UHFFFAOYSA-N 1 0 267.756 2.983 50 0 CFAARO Clc1ccsc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000336379896 526994727 /nfs/dbraw/zinc/99/47/27/526994727.db2.gz TUUUEEPTZLBKHM-VIFPVBQESA-N 1 0 282.800 2.899 50 0 CFAARO Cn1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cn1 ZINC000172308397 527196490 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CC[N@H+](C)[C@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000888093306 619128674 /nfs/dbraw/zinc/12/86/74/619128674.db2.gz WDJVMZDOOZKGGN-JTQLQIEISA-N 1 0 286.828 2.876 50 0 CFAARO C[N@H+]1CC=C(COC(=O)CCSc2ccccc2)CC1 ZINC000888099693 619133014 /nfs/dbraw/zinc/13/30/14/619133014.db2.gz VABSZVDVRZBRRL-UHFFFAOYSA-N 1 0 291.416 2.974 50 0 CFAARO c1oc2ccccc2c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261787868 619267809 /nfs/dbraw/zinc/26/78/09/619267809.db2.gz KPLAGRPFMJSSMM-QGZVFWFLSA-N 1 0 293.370 2.974 50 0 CFAARO CCC[C@@H](C(=O)N1Cc2ccccc2C2(CC2)C1)[NH+](C)C ZINC000184659994 625631802 /nfs/dbraw/zinc/63/18/02/625631802.db2.gz VDPCPCASZBZTGI-INIZCTEOSA-N 1 0 286.419 2.791 50 0 CFAARO O[C@@H](C[NH2+]CCc1ccccc1)c1ccccc1F ZINC000032110998 623908644 /nfs/dbraw/zinc/90/86/44/623908644.db2.gz RYNJXPGXQVJUPO-INIZCTEOSA-N 1 0 259.324 2.691 50 0 CFAARO CN(C(=O)c1cnc(C(C)(C)C)s1)[C@H]1CCC[N@H+](C)C1 ZINC000153497470 623990718 /nfs/dbraw/zinc/99/07/18/623990718.db2.gz ASFBNENIWKGGNF-NSHDSACASA-N 1 0 295.452 2.607 50 0 CFAARO CCc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000154290555 624317715 /nfs/dbraw/zinc/31/77/15/624317715.db2.gz KXDCCURDLSDLEC-INIZCTEOSA-N 1 0 274.408 2.740 50 0 CFAARO O=C(CCc1ccccc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000179563845 624968388 /nfs/dbraw/zinc/96/83/88/624968388.db2.gz CSUBOFTVUXFXHS-UHFFFAOYSA-N 1 0 286.419 2.706 50 0 CFAARO CN(C)c1cc(N)c2cc(Br)ccc2[nH+]1 ZINC000003162401 626403812 /nfs/dbraw/zinc/40/38/12/626403812.db2.gz UGWNGUGOWOWFGT-UHFFFAOYSA-N 1 0 266.142 2.646 50 0 CFAARO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(C(C)(C)O)cc1 ZINC000863982607 637832180 /nfs/dbraw/zinc/83/21/80/637832180.db2.gz VMZCDLGOWUEWCM-CYBMUJFWSA-N 1 0 276.424 2.659 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)Cc1ccccn1 ZINC000863982648 637832678 /nfs/dbraw/zinc/83/26/78/637832678.db2.gz XXQBSHPKPPEYOP-AWEZNQCLSA-N 1 0 294.402 2.961 50 0 CFAARO C[C@](O)(C[NH2+][C@@H]1CCCC[C@@H]1CCCO)c1ccsc1 ZINC000863984256 637833038 /nfs/dbraw/zinc/83/30/38/637833038.db2.gz PMCMFKSPSZRXEJ-BMFZPTHFSA-N 1 0 297.464 2.877 50 0 CFAARO COc1ncc(C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000952968895 650790205 /nfs/dbraw/zinc/79/02/05/650790205.db2.gz OQMBONANIBVDMV-SFHVURJKSA-N 1 0 297.402 2.943 50 0 CFAARO Cc1cccc(CN(Cc2nccn2C)C[C@@H]2CCCO2)c1 ZINC000952985181 650791874 /nfs/dbraw/zinc/79/18/74/650791874.db2.gz QEBLRLZGPCHUMY-KRWDZBQOSA-N 1 0 299.418 2.910 50 0 CFAARO COC(C)(C)C[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000952995069 650792690 /nfs/dbraw/zinc/79/26/90/650792690.db2.gz CCGBRRXMGUMKAP-UHFFFAOYSA-N 1 0 273.417 2.903 50 0 CFAARO C[C@@](O)(C[NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1 ZINC000114508303 647826373 /nfs/dbraw/zinc/82/63/73/647826373.db2.gz HXSCQWJAKNTRBK-QGZVFWFLSA-N 1 0 281.359 2.560 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@H](C)C1 ZINC000000201445 651100448 /nfs/dbraw/zinc/10/04/48/651100448.db2.gz DJQARZCZCLCJFV-CJNGLKHVSA-N 1 0 261.365 2.949 50 0 CFAARO CCOC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000000757734 651113673 /nfs/dbraw/zinc/11/36/73/651113673.db2.gz YVJANLDBNAZYHP-UHFFFAOYSA-N 1 0 288.391 2.666 50 0 CFAARO Cc1cc(N2CC[NH2+]CC2)nc2c(C)c(Cl)ccc12 ZINC000000758113 651113754 /nfs/dbraw/zinc/11/37/54/651113754.db2.gz BOWYYNJFWHJSSB-UHFFFAOYSA-N 1 0 275.783 2.915 50 0 CFAARO CCN1CC[C@H]([N@H+](CC)Cc2ccccc2)CCC1=O ZINC000014988440 651184645 /nfs/dbraw/zinc/18/46/45/651184645.db2.gz ACJWSPTXFJWKSZ-MRXNPFEDSA-N 1 0 274.408 2.910 50 0 CFAARO Cc1nccn1CC[C@@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000821181569 781877143 /nfs/dbraw/zinc/87/71/43/781877143.db2.gz ADODUGJDJPMHIF-CYBMUJFWSA-N 1 0 272.396 2.772 50 0 CFAARO CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000081009933 778560112 /nfs/dbraw/zinc/56/01/12/778560112.db2.gz HIJGKCOOJRGDNU-NSHDSACASA-N 1 0 295.814 2.686 50 0 CFAARO Cc1nccn1C[C@H](C)[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000821751141 781886119 /nfs/dbraw/zinc/88/61/19/781886119.db2.gz JZMHBJPAAZHVBS-INIZCTEOSA-N 1 0 298.434 2.792 50 0 CFAARO Cn1nc(CN2CCCC[C@@H]([NH3+])C2)c2c1cccc2Cl ZINC000082087842 177919955 /nfs/dbraw/zinc/91/99/55/177919955.db2.gz VZTIKWCCNVZKJY-LLVKDONJSA-N 1 0 292.814 2.540 50 0 CFAARO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000096455393 230377015 /nfs/dbraw/zinc/37/70/15/230377015.db2.gz XIDONBDAAGSXFC-AWEZNQCLSA-N 1 0 291.395 2.523 50 0 CFAARO Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1 ZINC000096461412 230378158 /nfs/dbraw/zinc/37/81/58/230378158.db2.gz NBGSENPRNXTQJD-CYBMUJFWSA-N 1 0 295.390 2.765 50 0 CFAARO C[C@H](C[NH2+][C@@H](C)Cc1ccsc1)N(C)C1CC1 ZINC000096477178 230379884 /nfs/dbraw/zinc/37/98/84/230379884.db2.gz WDSJZQUNPNELRW-NWDGAFQWSA-N 1 0 252.427 2.751 50 0 CFAARO COC[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)C(C)C ZINC000096478136 230380027 /nfs/dbraw/zinc/38/00/27/230380027.db2.gz DONCMIGPTWZAGO-QMMMGPOBSA-N 1 0 282.331 2.923 50 0 CFAARO Cc1ccc(F)c(C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000096482566 230380443 /nfs/dbraw/zinc/38/04/43/230380443.db2.gz VRFHAYIYWAUGEF-AWEZNQCLSA-N 1 0 266.360 2.580 50 0 CFAARO c1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cs1 ZINC000082145940 177924275 /nfs/dbraw/zinc/92/42/75/177924275.db2.gz CEGRJLOOEYCSIS-CYBMUJFWSA-N 1 0 267.394 2.566 50 0 CFAARO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CCOC1 ZINC000096490326 230382385 /nfs/dbraw/zinc/38/23/85/230382385.db2.gz GFICTCPNTRZPLL-PWSUYJOCSA-N 1 0 284.197 2.759 50 0 CFAARO CCc1nnc(C[NH2+][C@H](C)C(C)(C)c2ccccc2)n1C ZINC000096491391 230382833 /nfs/dbraw/zinc/38/28/33/230382833.db2.gz QOSDEWGUOLAYMJ-CYBMUJFWSA-N 1 0 286.423 2.833 50 0 CFAARO Cc1nnc(C[NH2+][C@H](Cc2ccccc2)C(C)(C)C)n1C ZINC000096493173 230383270 /nfs/dbraw/zinc/38/32/70/230383270.db2.gz GLWTYKPCJLRRPA-OAHLLOKOSA-N 1 0 286.423 2.871 50 0 CFAARO O=C(NC[C@@H]1CCCCC[NH2+]1)Nc1cc(F)ccc1F ZINC000097742953 230386837 /nfs/dbraw/zinc/38/68/37/230386837.db2.gz XWYDOBCGGPGEJT-NSHDSACASA-N 1 0 283.322 2.619 50 0 CFAARO c1cc(CN2CCC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000098013295 230390535 /nfs/dbraw/zinc/39/05/35/230390535.db2.gz PKKVOEDFKCCHMF-INIZCTEOSA-N 1 0 259.397 2.532 50 0 CFAARO C[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)[C@@H]1CCCOC1 ZINC000408522738 230405042 /nfs/dbraw/zinc/40/50/42/230405042.db2.gz CTGXQISZQCMIKV-GXSJLCMTSA-N 1 0 272.751 2.779 50 0 CFAARO COc1cccc2c1OC[C@H](Cc1ccc(N)[nH+]c1C)C2 ZINC000095526463 185003427 /nfs/dbraw/zinc/00/34/27/185003427.db2.gz FKDSTZLOMCZLBN-GFCCVEGCSA-N 1 0 284.359 2.775 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000095951792 185040146 /nfs/dbraw/zinc/04/01/46/185040146.db2.gz REQNEFAEKMHHTN-MRXNPFEDSA-N 1 0 290.407 2.574 50 0 CFAARO Cc1[nH]c2ccc(C)cc2c1CC(=O)NCC[N@@H+](C)C1CC1 ZINC000095956034 185042427 /nfs/dbraw/zinc/04/24/27/185042427.db2.gz WJOPZEMFNUKWQC-UHFFFAOYSA-N 1 0 299.418 2.538 50 0 CFAARO CC(C)N1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1=O ZINC000095963261 185044358 /nfs/dbraw/zinc/04/43/58/185044358.db2.gz XNNBNSVRXODFQO-UYSNPLJNSA-N 1 0 272.392 2.532 50 0 CFAARO Brc1cncc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000095961956 185044692 /nfs/dbraw/zinc/04/46/92/185044692.db2.gz JZYRIWOZBWKTRC-WCQYABFASA-N 1 0 296.212 2.883 50 0 CFAARO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](c1cnn(C)c1)N(C)C ZINC000095968148 185046357 /nfs/dbraw/zinc/04/63/57/185046357.db2.gz HPAFJQJXOREERU-TZMCWYRMSA-N 1 0 292.452 2.744 50 0 CFAARO C[C@@H](COc1ccc(F)c(F)c1)[NH2+]Cc1cccnc1 ZINC000095967085 185046399 /nfs/dbraw/zinc/04/63/99/185046399.db2.gz BBGDAIKEIBRQLK-NSHDSACASA-N 1 0 278.302 2.917 50 0 CFAARO CCN(CC)C(=O)C[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000095967454 185046505 /nfs/dbraw/zinc/04/65/05/185046505.db2.gz OXFFSZNIIIZQFK-INIZCTEOSA-N 1 0 294.414 2.851 50 0 CFAARO CC[C@H]([NH2+]C[C@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000095968401 185046914 /nfs/dbraw/zinc/04/69/14/185046914.db2.gz OUGSISYMGVTNKZ-HOTGVXAUSA-N 1 0 291.370 2.508 50 0 CFAARO Cc1noc(C)c1CCC[NH2+]C1Cc2ccccc2C1 ZINC000095969132 185047524 /nfs/dbraw/zinc/04/75/24/185047524.db2.gz GMIIWWRFZWJACQ-UHFFFAOYSA-N 1 0 270.376 2.981 50 0 CFAARO O=C(CCc1cccs1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000095971610 185049012 /nfs/dbraw/zinc/04/90/12/185049012.db2.gz GYDDFATXBIVSLL-UHFFFAOYSA-N 1 0 286.400 2.965 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000095978188 185051914 /nfs/dbraw/zinc/05/19/14/185051914.db2.gz NJMWCDHHGJCNBB-GXSJLCMTSA-N 1 0 266.366 2.646 50 0 CFAARO C[C@@H]([NH2+]CC(N)=O)c1ccccc1Oc1ccccc1 ZINC000095984756 185055506 /nfs/dbraw/zinc/05/55/06/185055506.db2.gz LVCLBYPSYQMWMK-GFCCVEGCSA-N 1 0 270.332 2.615 50 0 CFAARO CCc1nc([C@H](C)NCC[NH+]2CCCCC2)cs1 ZINC000096014102 185066466 /nfs/dbraw/zinc/06/64/66/185066466.db2.gz CNHBHXIPYJFYKI-LBPRGKRZSA-N 1 0 267.442 2.842 50 0 CFAARO C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1ccccc1Cl ZINC000000347821 282128801 /nfs/dbraw/zinc/12/88/01/282128801.db2.gz FBNMNJLSOXDEEC-RISCZKNCSA-N 1 0 285.840 2.842 50 0 CFAARO C[C@@H](O)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000125165868 187173030 /nfs/dbraw/zinc/17/30/30/187173030.db2.gz OCSISVLUIZNQTP-MRVPVSSYSA-N 1 0 288.174 2.740 50 0 CFAARO CCc1noc(C)c1NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000125480364 187187018 /nfs/dbraw/zinc/18/70/18/187187018.db2.gz UZECYQVDZXISGQ-JQWIXIFHSA-N 1 0 279.384 2.510 50 0 CFAARO CCc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)o1 ZINC000097015176 185152304 /nfs/dbraw/zinc/15/23/04/185152304.db2.gz YCGJMJKQDXPKNV-UHFFFAOYSA-N 1 0 265.353 2.617 50 0 CFAARO C[NH2+][C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000097019448 185152679 /nfs/dbraw/zinc/15/26/79/185152679.db2.gz SEOJPNORNSIDNB-ZDUSSCGKSA-N 1 0 295.386 2.546 50 0 CFAARO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(F)c(F)c1F ZINC000097019700 185152821 /nfs/dbraw/zinc/15/28/21/185152821.db2.gz YSZZZLPYBOFQIP-NSHDSACASA-N 1 0 288.313 2.549 50 0 CFAARO CC(C)([NH2+]CCn1ccnc1)c1ccc(F)c(F)c1 ZINC000097033606 185155528 /nfs/dbraw/zinc/15/55/28/185155528.db2.gz LBMVZJMRSSYSMJ-UHFFFAOYSA-N 1 0 265.307 2.686 50 0 CFAARO COC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)c(F)c1 ZINC000097033297 185155564 /nfs/dbraw/zinc/15/55/64/185155564.db2.gz DTKBIWAEPPDIGI-NHYWBVRUSA-N 1 0 285.334 2.669 50 0 CFAARO CC[N@@H+]1CCC[C@H](CN(C)c2ccc(C(C)C)nn2)C1 ZINC000823109898 781921432 /nfs/dbraw/zinc/92/14/32/781921432.db2.gz VLRFIUPYNFBDBK-CQSZACIVSA-N 1 0 276.428 2.768 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000072267530 346924748 /nfs/dbraw/zinc/92/47/48/346924748.db2.gz WLKDGKOURPATAO-QGZVFWFLSA-N 1 0 284.407 2.950 50 0 CFAARO Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c(C)c1 ZINC000105905375 136378794 /nfs/dbraw/zinc/37/87/94/136378794.db2.gz YKQNNQMZBVDRTD-QGZVFWFLSA-N 1 0 296.418 2.852 50 0 CFAARO Cc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1C ZINC000105905360 136378940 /nfs/dbraw/zinc/37/89/40/136378940.db2.gz MQONVXLPHMZWIA-KRWDZBQOSA-N 1 0 296.418 2.852 50 0 CFAARO C[N@H+](Cc1cccc(Cl)c1)C1CCS(=O)CC1 ZINC000078969820 539376055 /nfs/dbraw/zinc/37/60/55/539376055.db2.gz CCRYJVBAHOADMZ-UHFFFAOYSA-N 1 0 271.813 2.683 50 0 CFAARO OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000300410907 539380796 /nfs/dbraw/zinc/38/07/96/539380796.db2.gz KPQVKDYAVRSKFE-UBHSHLNASA-N 1 0 263.406 2.974 50 0 CFAARO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000075128176 347057634 /nfs/dbraw/zinc/05/76/34/347057634.db2.gz FKMNKGLAXVPNMQ-OWCLPIDISA-N 1 0 295.471 2.794 50 0 CFAARO C[C@H]1c2cccn2CC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000025313357 539433144 /nfs/dbraw/zinc/43/31/44/539433144.db2.gz BWBNAHOSDQEWRC-BLLLJJGKSA-N 1 0 274.339 2.737 50 0 CFAARO Cc1ccccc1OCCOCC[NH+]1CCCCC1 ZINC000002896400 346207302 /nfs/dbraw/zinc/20/73/02/346207302.db2.gz PSFFHRGCXPBLSN-UHFFFAOYSA-N 1 0 263.381 2.876 50 0 CFAARO CCOC(OCC)[P@](=O)(C[NH+](CC)CC)OCC ZINC000003160269 346207661 /nfs/dbraw/zinc/20/76/61/346207661.db2.gz JZRAVJNIFGYBNQ-SFHVURJKSA-N 1 0 281.333 2.957 50 0 CFAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(F)cc1F)[NH2+]CC2 ZINC000004031338 346209372 /nfs/dbraw/zinc/20/93/72/346209372.db2.gz GOQPKPSSOSKRIJ-QEJZJMRPSA-N 1 0 267.319 2.921 50 0 CFAARO Cc1ccccc1O[C@H](C)CC[C@@H](C)[N@H+](C)CCO ZINC000022064888 346247493 /nfs/dbraw/zinc/24/74/93/346247493.db2.gz CCWAVEMRPJAESV-HUUCEWRRSA-N 1 0 265.397 2.855 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[NH2+]CCc2ccccc2)c1 ZINC000032131626 346300686 /nfs/dbraw/zinc/30/06/86/346300686.db2.gz TVEJWFVHZHIXAX-KRWDZBQOSA-N 1 0 285.387 2.567 50 0 CFAARO FC(F)(F)c1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000036314404 346322897 /nfs/dbraw/zinc/32/28/97/346322897.db2.gz VTECVRVQVHCGEJ-GFCCVEGCSA-N 1 0 259.271 2.974 50 0 CFAARO Cc1occc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000027677302 282465135 /nfs/dbraw/zinc/46/51/35/282465135.db2.gz QZAVXZZTYDMRJK-GFCCVEGCSA-N 1 0 278.377 2.682 50 0 CFAARO Fc1ccc([C@H]2CCC[N@@H+]2CCn2cccn2)cc1 ZINC000066420316 346760457 /nfs/dbraw/zinc/76/04/57/346760457.db2.gz SLHQVUHPIJMPSN-OAHLLOKOSA-N 1 0 259.328 2.859 50 0 CFAARO CC(C)n1cnnc1C1CC[NH+](Cc2ccoc2)CC1 ZINC000065287613 346733003 /nfs/dbraw/zinc/73/30/03/346733003.db2.gz SJSKHTGXBUBSHV-UHFFFAOYSA-N 1 0 274.368 2.832 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2C)[C@H](C)C1 ZINC000084133230 347457199 /nfs/dbraw/zinc/45/71/99/347457199.db2.gz FHZMGHXXMSRIIY-PBHICJAKSA-N 1 0 274.408 2.650 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2C)[C@@H](C)C1 ZINC000089570297 347521469 /nfs/dbraw/zinc/52/14/69/347521469.db2.gz GLDCHFXFIMLFFE-MAUKXSAKSA-N 1 0 288.435 2.958 50 0 CFAARO Cc1ccsc1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000094876357 347696673 /nfs/dbraw/zinc/69/66/73/347696673.db2.gz FFZNRQSQRUTHAQ-OAHLLOKOSA-N 1 0 286.400 2.560 50 0 CFAARO CCC(=O)O[C@@]1(c2ccccc2)CC[N@@H+](C)[C@H]1CC ZINC000095882806 347699087 /nfs/dbraw/zinc/69/90/87/347699087.db2.gz UOTCUJGGSUJBJM-GOEBONIOSA-N 1 0 261.365 2.949 50 0 CFAARO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+](C)[C@H]1CC ZINC000095882808 347699165 /nfs/dbraw/zinc/69/91/65/347699165.db2.gz UOTCUJGGSUJBJM-HOCLYGCPSA-N 1 0 261.365 2.949 50 0 CFAARO COC(=O)c1cccc(CC[NH2+]Cc2ccccc2)c1 ZINC000096027693 347700451 /nfs/dbraw/zinc/70/04/51/347700451.db2.gz VSCNWJMUKRBDCF-UHFFFAOYSA-N 1 0 269.344 2.806 50 0 CFAARO O=C1c2ccccc2OC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000096026792 347700506 /nfs/dbraw/zinc/70/05/06/347700506.db2.gz AXYNWRXSIUOJMQ-HNNXBMFYSA-N 1 0 281.355 2.710 50 0 CFAARO C[NH2+][C@@]1(c2ccccc2Cl)CCC[C@H]1C(=O)OC ZINC000096027568 347700610 /nfs/dbraw/zinc/70/06/10/347700610.db2.gz OQSFGKKBEFIAOR-SMDDNHRTSA-N 1 0 267.756 2.728 50 0 CFAARO OC[C@H]([NH2+][C@H]1CCCSC1)c1cc(F)c(F)c(F)c1 ZINC000097370885 347708501 /nfs/dbraw/zinc/70/85/01/347708501.db2.gz NUDRFJSQIBPVKI-CABZTGNLSA-N 1 0 291.338 2.623 50 0 CFAARO COc1ccc([C@H](O)[C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000097371028 347708563 /nfs/dbraw/zinc/70/85/63/347708563.db2.gz YRGYODMQTAPIKY-NJZAAPMLSA-N 1 0 281.421 2.602 50 0 CFAARO C[C@H]1CCC[C@@H]([NH+]2CCC(Nc3cnn(C)c3)CC2)C1 ZINC000097237661 347708658 /nfs/dbraw/zinc/70/86/58/347708658.db2.gz VMBHBELPDKWMIY-XJKSGUPXSA-N 1 0 276.428 2.875 50 0 CFAARO COc1cc(CC[NH2+][C@@H]2CCCSC2)ccc1F ZINC000097370860 347708691 /nfs/dbraw/zinc/70/86/91/347708691.db2.gz UQANMCBYSRXPRF-GFCCVEGCSA-N 1 0 269.385 2.862 50 0 CFAARO COc1ccc(C[NH2+]Cc2cccc(N(C)C)c2)cc1O ZINC000105434776 347728866 /nfs/dbraw/zinc/72/88/66/347728866.db2.gz WBBINMLXVYTXFS-UHFFFAOYSA-N 1 0 286.375 2.757 50 0 CFAARO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)c3ccncc3)C2)no1 ZINC000106910883 347733649 /nfs/dbraw/zinc/73/36/49/347733649.db2.gz BTCSETGEUFDXNL-RISCZKNCSA-N 1 0 272.352 2.714 50 0 CFAARO CC1CCC([NH3+])(CNC(=O)NC2CCCCC2)CC1 ZINC000725255214 539587754 /nfs/dbraw/zinc/58/77/54/539587754.db2.gz WMADNSBVVUVVIG-UHFFFAOYSA-N 1 0 267.417 2.526 50 0 CFAARO CC(=O)NC1CCC([NH2+]C[C@H](C)c2ccsc2)CC1 ZINC000133114900 347889863 /nfs/dbraw/zinc/88/98/63/347889863.db2.gz FBXLRCPZPYCDPS-QGLTVNCISA-N 1 0 280.437 2.889 50 0 CFAARO COC1(C[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CCOCC1 ZINC000152649738 347969661 /nfs/dbraw/zinc/96/96/61/347969661.db2.gz GVFAYDHCGGXFQA-HUUCEWRRSA-N 1 0 267.413 2.764 50 0 CFAARO C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000155241345 347985879 /nfs/dbraw/zinc/98/58/79/347985879.db2.gz MUNGMBFBZHIUFL-GDBMZVCRSA-N 1 0 297.439 2.857 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C/c2ccc(C)cc2C)C1 ZINC000159057649 348010256 /nfs/dbraw/zinc/01/02/56/348010256.db2.gz YFTUVEZDXAMBFG-ROJDOSBLSA-N 1 0 286.419 2.775 50 0 CFAARO CC(=O)N1CCC([C@H]2CC[N@H+](Cc3cccs3)C2)CC1 ZINC000169783914 348052566 /nfs/dbraw/zinc/05/25/66/348052566.db2.gz YAIOOLPJBOULCJ-HNNXBMFYSA-N 1 0 292.448 2.829 50 0 CFAARO CC(C)COC(=O)N1CCC([NH2+][C@H]2C=CCCC2)CC1 ZINC000170592183 348054850 /nfs/dbraw/zinc/05/48/50/348054850.db2.gz CRNSQNQQALRZRZ-AWEZNQCLSA-N 1 0 280.412 2.942 50 0 CFAARO COC[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(Cl)cc1 ZINC000194176260 348143498 /nfs/dbraw/zinc/14/34/98/348143498.db2.gz VXNNTWZMQWOYOQ-CQSZACIVSA-N 1 0 299.798 2.770 50 0 CFAARO O=S1(=O)CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCCCC1 ZINC000195558160 348146012 /nfs/dbraw/zinc/14/60/12/348146012.db2.gz YNSGEZXMQLBJOT-HUUCEWRRSA-N 1 0 285.453 2.512 50 0 CFAARO CC[C@H]([NH2+]C[C@](C)(O)c1cnn(C)c1)c1ccccc1F ZINC000195553623 348146167 /nfs/dbraw/zinc/14/61/67/348146167.db2.gz IZVGYOJIBOBNFI-HOTGVXAUSA-N 1 0 291.370 2.508 50 0 CFAARO CSc1ccccc1C[C@H](C)[NH2+]Cc1ccnn1C ZINC000195558473 348146253 /nfs/dbraw/zinc/14/62/53/348146253.db2.gz JIRMANJQANMJNJ-LBPRGKRZSA-N 1 0 275.421 2.863 50 0 CFAARO Cc1ccc(C[NH2+][C@H](C)C2CC2)c(N2CCCC2)n1 ZINC000195557266 348146366 /nfs/dbraw/zinc/14/63/66/348146366.db2.gz NVQKIPDRLJBZDZ-CYBMUJFWSA-N 1 0 259.397 2.878 50 0 CFAARO CC[C@H](C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000195570181 348146870 /nfs/dbraw/zinc/14/68/70/348146870.db2.gz WEJDQLLTRKFMFB-DCAQKATOSA-N 1 0 280.334 2.612 50 0 CFAARO COc1ccc(CCC[NH+]2CCC(C)(CO)CC2)cc1F ZINC000195573539 348147387 /nfs/dbraw/zinc/14/73/87/348147387.db2.gz AKFYOJUJFQSJEW-UHFFFAOYSA-N 1 0 295.398 2.861 50 0 CFAARO C[N@H+](CCO[C@@H]1CCCCO1)[C@@H]1CCCc2cccnc21 ZINC000225532906 348178422 /nfs/dbraw/zinc/17/84/22/348178422.db2.gz FOBPHXPSBSXFRX-HZPDHXFCSA-N 1 0 290.407 2.934 50 0 CFAARO COc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)ccc1O ZINC000225670904 348179526 /nfs/dbraw/zinc/17/95/26/348179526.db2.gz KNCJZYLCPLHTPV-AWEZNQCLSA-N 1 0 284.359 2.785 50 0 CFAARO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229337586 348200946 /nfs/dbraw/zinc/20/09/46/348200946.db2.gz UXUSCXCCMLCGJF-TZMCWYRMSA-N 1 0 256.353 2.745 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2CC=CC[C@H]2C1 ZINC000245316677 348251597 /nfs/dbraw/zinc/25/15/97/348251597.db2.gz KDGLQLXXOFLQOL-HOTGVXAUSA-N 1 0 293.455 2.714 50 0 CFAARO CCC[C@H](C)C(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1 ZINC000725264679 539621524 /nfs/dbraw/zinc/62/15/24/539621524.db2.gz GWYVHXCRZJTMNY-JTQLQIEISA-N 1 0 280.334 2.552 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC000409421184 348600280 /nfs/dbraw/zinc/60/02/80/348600280.db2.gz XEPDQRYMXACBGD-OAHLLOKOSA-N 1 0 275.396 2.854 50 0 CFAARO CCCCc1c(C)[nH+]c(N)nc1N1CCC(OCC)CC1 ZINC000091350790 535077087 /nfs/dbraw/zinc/07/70/87/535077087.db2.gz YUZAXCZLWBEBJA-UHFFFAOYSA-N 1 0 292.427 2.715 50 0 CFAARO Cc1cccn2cc(CNC(=O)c3ncoc3C(C)C)nc12 ZINC000584884900 348726688 /nfs/dbraw/zinc/72/66/88/348726688.db2.gz YVGLUYMJSDOMEN-UHFFFAOYSA-N 1 0 298.346 2.684 50 0 CFAARO C[C@H](CO)C1CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000584886247 348727450 /nfs/dbraw/zinc/72/74/50/348727450.db2.gz KQPGYZDKDAEXQX-SNVBAGLBSA-N 1 0 257.761 2.773 50 0 CFAARO CC(C)C[N@@H+]1CC[C@@H](CN(C)C(=O)CSC(C)C)C1 ZINC000584892306 348729286 /nfs/dbraw/zinc/72/92/86/348729286.db2.gz UVHCKYODSHIGDU-AWEZNQCLSA-N 1 0 286.485 2.564 50 0 CFAARO COC[C@H](C)[NH2+]CCCc1nc2cc(Cl)ccc2[nH]1 ZINC000584896412 348731352 /nfs/dbraw/zinc/73/13/52/348731352.db2.gz JHDYHKYLASTYNP-JTQLQIEISA-N 1 0 281.787 2.773 50 0 CFAARO CC[C@H]([NH2+]C1CSCCSC1)c1nc(C)c[nH]1 ZINC000584900423 348732030 /nfs/dbraw/zinc/73/20/30/348732030.db2.gz FPSNAKXUIUNKAA-NSHDSACASA-N 1 0 271.455 2.607 50 0 CFAARO Cc1cccc(C[C@H](C)[NH2+]C2CSCCSC2)n1 ZINC000584899490 348732121 /nfs/dbraw/zinc/73/21/21/348732121.db2.gz PADDPJQFUAXROW-LBPRGKRZSA-N 1 0 282.478 2.759 50 0 CFAARO CC[C@@H](NC(=O)CCC[NH+]1CCCC1)c1ccncc1 ZINC000584899794 348732243 /nfs/dbraw/zinc/73/22/43/348732243.db2.gz FZFDLLHPDAJULF-OAHLLOKOSA-N 1 0 275.396 2.525 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H](c1ccccc1)N(C)C ZINC000585140466 348737129 /nfs/dbraw/zinc/73/71/29/348737129.db2.gz FQNNRIRYQWMOHE-CXAGYDPISA-N 1 0 285.391 2.568 50 0 CFAARO c1cnn(Cc2ccccc2C[NH2+][C@H]2CCCSC2)c1 ZINC000131077125 539674569 /nfs/dbraw/zinc/67/45/69/539674569.db2.gz FDDZUHMNPOMCSL-INIZCTEOSA-N 1 0 287.432 2.917 50 0 CFAARO Cn1cnnc1[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000075552431 539704644 /nfs/dbraw/zinc/70/46/44/539704644.db2.gz AEKKZJYKWWVKCO-HNNXBMFYSA-N 1 0 295.390 2.676 50 0 CFAARO OC1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090515954 179996177 /nfs/dbraw/zinc/99/61/77/179996177.db2.gz HGSVVCIEZOFOPD-UHFFFAOYSA-N 1 0 265.422 2.767 50 0 CFAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)Nc1ccccc1 ZINC000090608911 180012271 /nfs/dbraw/zinc/01/22/71/180012271.db2.gz UYRUWCWPGMDITA-CQSZACIVSA-N 1 0 293.436 2.588 50 0 CFAARO C[C@H](CC(=O)N(C)C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000090663966 180020510 /nfs/dbraw/zinc/02/05/10/180020510.db2.gz LHNVATVPDMROGV-CQSZACIVSA-N 1 0 297.402 2.705 50 0 CFAARO C[C@@H](CO)[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091349039 180137308 /nfs/dbraw/zinc/13/73/08/180137308.db2.gz YWZBTMJOSSVMES-ZANVPECISA-N 1 0 284.197 2.871 50 0 CFAARO CC[C@@H]1C=CC[N@@H+]1Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091552048 180189283 /nfs/dbraw/zinc/18/92/83/180189283.db2.gz IUOAODXLLAAHEV-GFCCVEGCSA-N 1 0 272.323 2.818 50 0 CFAARO CC[NH+](CC)CCNc1ncnc2cccc(F)c21 ZINC000091829144 180265683 /nfs/dbraw/zinc/26/56/83/180265683.db2.gz YIJGRZRKBWMAEX-UHFFFAOYSA-N 1 0 262.332 2.523 50 0 CFAARO Cc1cc(N(C)Cc2cccc3cnccc32)nc(N)[nH+]1 ZINC000091931325 180288574 /nfs/dbraw/zinc/28/85/74/180288574.db2.gz LPVXXEBMOCDMKA-UHFFFAOYSA-N 1 0 279.347 2.552 50 0 CFAARO COc1cc2c(cc1C[NH2+]Cc1cccnc1)O[C@@H](C)C2 ZINC000105759437 186070787 /nfs/dbraw/zinc/07/07/87/186070787.db2.gz SZYFXDPUIKJMJC-LBPRGKRZSA-N 1 0 284.359 2.703 50 0 CFAARO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccsc2)CCN1 ZINC000092076204 180317326 /nfs/dbraw/zinc/31/73/26/180317326.db2.gz FXTWCIPKXJPBGJ-HNNXBMFYSA-N 1 0 286.400 2.811 50 0 CFAARO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)nc2)CC[C@]1(C)O ZINC000092080972 180319916 /nfs/dbraw/zinc/31/99/16/180319916.db2.gz FHFZCIRVFYLKRA-MFKMUULPSA-N 1 0 288.313 2.693 50 0 CFAARO CCCN(C(=O)c1ccc(SC)cc1)[C@@H]1CC[NH2+]C1 ZINC000092232087 180348507 /nfs/dbraw/zinc/34/85/07/180348507.db2.gz WGSKIROTGWWDOV-CYBMUJFWSA-N 1 0 278.421 2.623 50 0 CFAARO Cc1ccc(OCC[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000107695560 186186509 /nfs/dbraw/zinc/18/65/09/186186509.db2.gz IFNLMQBBIBIFOP-OAHLLOKOSA-N 1 0 263.381 2.732 50 0 CFAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cc1cccc(Cl)c1 ZINC000122733999 187048379 /nfs/dbraw/zinc/04/83/79/187048379.db2.gz ASPIMCJKDAWAFW-CQSZACIVSA-N 1 0 282.815 2.714 50 0 CFAARO CCc1ccc(Cn2ncnc2[C@@H]2CCCC[NH2+]2)cc1 ZINC000823517583 781929678 /nfs/dbraw/zinc/92/96/78/781929678.db2.gz GGZLCMZFVLXYJK-HNNXBMFYSA-N 1 0 270.380 2.703 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]1CO)CCC2 ZINC000685939674 540020278 /nfs/dbraw/zinc/02/02/78/540020278.db2.gz GCXFZUGVVXTGBW-DMDPSCGWSA-N 1 0 266.410 2.580 50 0 CFAARO O=C(CC[NH+]1CCSCC1)Nc1ccc2c(c1)CCC2 ZINC000171628520 188748625 /nfs/dbraw/zinc/74/86/25/188748625.db2.gz VITBYJQSSAOFAX-UHFFFAOYSA-N 1 0 290.432 2.553 50 0 CFAARO CCc1nccn1C[C@H](C)[NH2+]Cc1cnc(C)cc1C ZINC000823557362 781933964 /nfs/dbraw/zinc/93/39/64/781933964.db2.gz NHMZBRBERBUKGA-AWEZNQCLSA-N 1 0 272.396 2.636 50 0 CFAARO CCc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2CC)cc1 ZINC000083823677 540184394 /nfs/dbraw/zinc/18/43/94/540184394.db2.gz RWTDLYPUALDLDF-ROUUACIJSA-N 1 0 288.435 2.986 50 0 CFAARO CC[C@@](CO)([NH2+]Cc1scnc1C)c1ccccc1 ZINC000083469391 540180571 /nfs/dbraw/zinc/18/05/71/540180571.db2.gz AQNHFYRUUAFWBZ-HNNXBMFYSA-N 1 0 276.405 2.839 50 0 CFAARO COc1cc(C)c(C[NH2+][C@@H]2CCC[C@@]2(C)CO)cc1OC ZINC000084077133 540193300 /nfs/dbraw/zinc/19/33/00/540193300.db2.gz SJGLKBOWGYLPJH-SJORKVTESA-N 1 0 293.407 2.653 50 0 CFAARO Cc1nnc(NC[C@H](c2ccccc2C)[NH+](C)C)s1 ZINC000823652551 781934637 /nfs/dbraw/zinc/93/46/37/781934637.db2.gz DHECCCUYXRRLLJ-CYBMUJFWSA-N 1 0 276.409 2.870 50 0 CFAARO CCn1nncc1C[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000669570533 540244698 /nfs/dbraw/zinc/24/46/98/540244698.db2.gz SXCYEMMLQBLFON-UHFFFAOYSA-N 1 0 296.374 2.750 50 0 CFAARO c1ccc2c(c1)CC[C@H]([NH2+]CCC1=CCOCC1)C2 ZINC000090808427 540380019 /nfs/dbraw/zinc/38/00/19/540380019.db2.gz ZYFGZRGDIGQRHS-KRWDZBQOSA-N 1 0 257.377 2.870 50 0 CFAARO NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245284713 283345487 /nfs/dbraw/zinc/34/54/87/283345487.db2.gz UFVHRDPNNDCPFW-KBMXLJTQSA-N 1 0 272.392 2.725 50 0 CFAARO C[N@H+](CCCC1CCCC1)CC[C@H]1CCS(=O)(=O)C1 ZINC000823693042 781936390 /nfs/dbraw/zinc/93/63/90/781936390.db2.gz HFMWSQSTVHMTPT-HNNXBMFYSA-N 1 0 287.469 2.713 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](C2=CCCCC2)N1 ZINC000095115687 283410200 /nfs/dbraw/zinc/41/02/00/283410200.db2.gz RYLPNTJUEPJBTN-ZDUSSCGKSA-N 1 0 267.336 2.585 50 0 CFAARO Cn1c2c(nc1C1CC1)C[N@@H+](CC1CCCC1)CC2 ZINC000084310841 540683418 /nfs/dbraw/zinc/68/34/18/540683418.db2.gz PFRMYLGPCXYALR-UHFFFAOYSA-N 1 0 259.397 2.846 50 0 CFAARO CN1C[C@H]([NH2+][C@@H]2CCCSc3ccccc32)CCC1=O ZINC000089374902 540717897 /nfs/dbraw/zinc/71/78/97/540717897.db2.gz QBTZOLBIOYGTKE-TZMCWYRMSA-N 1 0 290.432 2.824 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3s2)C1 ZINC000178324788 189107587 /nfs/dbraw/zinc/10/75/87/189107587.db2.gz MEGKXZMRIJLPLE-LLVKDONJSA-N 1 0 278.352 2.604 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C(\C)c2cccc(Cl)c2)C1 ZINC000178993210 189160173 /nfs/dbraw/zinc/16/01/73/189160173.db2.gz RKBHNMJUDAMBNQ-RPHSKFLZSA-N 1 0 292.810 2.811 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000178988181 189160185 /nfs/dbraw/zinc/16/01/85/189160185.db2.gz AHFFFVKJJYUTJK-ZETCQYMHSA-N 1 0 293.219 2.736 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000156299935 296024681 /nfs/dbraw/zinc/02/46/81/296024681.db2.gz PZWFYXOOAPAOAD-GHMZBOCLSA-N 1 0 295.452 2.640 50 0 CFAARO CC(C)[N@@H+]1CC[C@@H](CN(C)Cc2ccc3cc[nH]c3n2)C1 ZINC000670430017 540991475 /nfs/dbraw/zinc/99/14/75/540991475.db2.gz PBECJHBAGMLWNR-AWEZNQCLSA-N 1 0 286.423 2.725 50 0 CFAARO C[N@@H+](Cc1cc2c(cc1Cl)OCO2)C[C@H]1CCOC1 ZINC000670437087 540994177 /nfs/dbraw/zinc/99/41/77/540994177.db2.gz INOOPKXRXDIMPR-SNVBAGLBSA-N 1 0 283.755 2.537 50 0 CFAARO COc1ccc(C[N@H+](C)CC[C@@H]2CCOC2)cc1OC ZINC000670439698 540995364 /nfs/dbraw/zinc/99/53/64/540995364.db2.gz FIQBVNQEWPIYBX-CYBMUJFWSA-N 1 0 279.380 2.562 50 0 CFAARO Cc1nncn1CC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000670441172 540995924 /nfs/dbraw/zinc/99/59/24/540995924.db2.gz MOWZZNKXSWNKLK-AWEZNQCLSA-N 1 0 290.798 2.729 50 0 CFAARO O=C1CCCN1C[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000670443125 540996695 /nfs/dbraw/zinc/99/66/95/540996695.db2.gz IJIKFRVAZURHBE-MRXNPFEDSA-N 1 0 276.424 2.821 50 0 CFAARO Cc1nonc1C[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000670445216 540997358 /nfs/dbraw/zinc/99/73/58/540997358.db2.gz YRGYKFDIESMLGZ-UHFFFAOYSA-N 1 0 283.375 2.858 50 0 CFAARO CCc1cc(N2CC[NH+](C[C@H]3CC=CCC3)CC2)ncn1 ZINC000670451513 540999179 /nfs/dbraw/zinc/99/91/79/540999179.db2.gz GUXGGNPDYSUULH-HNNXBMFYSA-N 1 0 286.423 2.517 50 0 CFAARO C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CSCCSC1 ZINC000670454174 541000167 /nfs/dbraw/zinc/00/01/67/541000167.db2.gz MSNUGUGOINLCFL-AWEZNQCLSA-N 1 0 295.473 2.771 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2ccc3[nH]c(C)nc3c2)n1 ZINC000670452756 541000231 /nfs/dbraw/zinc/00/02/31/541000231.db2.gz MLSSWLXFMVVHDS-GFCCVEGCSA-N 1 0 297.406 2.863 50 0 CFAARO Cn1ccnc1CC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC000670456938 541001847 /nfs/dbraw/zinc/00/18/47/541001847.db2.gz NCOMKITVDGKGSS-UHFFFAOYSA-N 1 0 295.430 2.943 50 0 CFAARO c1nnc(C[NH2+]C2CCCC2)n1CCc1ccccc1 ZINC000670457209 541001917 /nfs/dbraw/zinc/00/19/17/541001917.db2.gz MAOANEJOYNQQSO-UHFFFAOYSA-N 1 0 270.380 2.553 50 0 CFAARO c1ccc(N2CCC[N@@H+]([C@H]3CCSC3)CC2)cc1 ZINC000670465091 541005825 /nfs/dbraw/zinc/00/58/25/541005825.db2.gz URLNSQBREAGAHF-HNNXBMFYSA-N 1 0 262.422 2.704 50 0 CFAARO Cc1ncsc1C[N@H+](C)CCCc1c(C)n[nH]c1C ZINC000670465641 541006254 /nfs/dbraw/zinc/00/62/54/541006254.db2.gz LDEZKIYFACCLEO-UHFFFAOYSA-N 1 0 278.425 2.856 50 0 CFAARO C[C@H](COc1ccccc1)[NH2+]CCc1nc(C2CC2)no1 ZINC000670469341 541008165 /nfs/dbraw/zinc/00/81/65/541008165.db2.gz FQRMTHYDCIHCTL-GFCCVEGCSA-N 1 0 287.363 2.547 50 0 CFAARO CC(C)c1noc(C2CC[NH+](CC[C@@H]3CCOC3)CC2)n1 ZINC000670472357 541011060 /nfs/dbraw/zinc/01/10/60/541011060.db2.gz MYRKBRPBDZWZLF-CYBMUJFWSA-N 1 0 293.411 2.799 50 0 CFAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CCc1cccc(C)n1 ZINC000670472787 541011303 /nfs/dbraw/zinc/01/13/03/541011303.db2.gz PBTCVOQGQKBSSU-UHFFFAOYSA-N 1 0 286.423 2.837 50 0 CFAARO CC(C)c1noc(C2CC[NH+](C[C@@H]3CCCOC3)CC2)n1 ZINC000670472843 541011345 /nfs/dbraw/zinc/01/13/45/541011345.db2.gz QTPOSPIGNQNTLJ-ZDUSSCGKSA-N 1 0 293.411 2.799 50 0 CFAARO O[C@]1(c2ccccc2)CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000670474306 541011556 /nfs/dbraw/zinc/01/15/56/541011556.db2.gz ZRIPFDDUVFBSRS-LJQANCHMSA-N 1 0 295.382 2.715 50 0 CFAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000205680118 541050301 /nfs/dbraw/zinc/05/03/01/541050301.db2.gz PGSOWPUBMLNVJS-NSHDSACASA-N 1 0 262.382 2.554 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1CNc1nnc(C(C)C)s1 ZINC000301748206 201174580 /nfs/dbraw/zinc/17/45/80/201174580.db2.gz ZXWNBIQJKYLIAG-LLVKDONJSA-N 1 0 268.430 2.948 50 0 CFAARO OCC[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000667873298 541333170 /nfs/dbraw/zinc/33/31/70/541333170.db2.gz YFHJFYJGSKSKEF-LTIDMASMSA-N 1 0 259.393 2.931 50 0 CFAARO O=C(C[NH+]1CCCC1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077298895 283813676 /nfs/dbraw/zinc/81/36/76/283813676.db2.gz MCQVQGKCCQIVAO-INIZCTEOSA-N 1 0 290.382 2.975 50 0 CFAARO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccsc1)C1CC1 ZINC000275707794 193110672 /nfs/dbraw/zinc/11/06/72/193110672.db2.gz NPVOWMHCYCAFQM-HNNXBMFYSA-N 1 0 278.421 2.723 50 0 CFAARO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(SC)cc1 ZINC000225412262 189750225 /nfs/dbraw/zinc/75/02/25/189750225.db2.gz ZURHSILKIUGUAU-ZDUSSCGKSA-N 1 0 276.409 2.568 50 0 CFAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2c(s1)CCC2 ZINC000040534788 284201088 /nfs/dbraw/zinc/20/10/88/284201088.db2.gz AEDDVQPWBFHVIR-QWHCGFSZSA-N 1 0 290.432 2.593 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCC1(C)C)C(=O)Nc1nccs1 ZINC000191293444 299416657 /nfs/dbraw/zinc/41/66/57/299416657.db2.gz VVAPRPSRSMZULM-UWVGGRQHSA-N 1 0 267.398 2.638 50 0 CFAARO CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2 ZINC000000002041 371508160 /nfs/dbraw/zinc/50/81/60/371508160.db2.gz UHSKFQJFRQCDBE-UHFFFAOYSA-N 1 0 260.381 2.846 50 0 fda CFAARO CC[NH+](CC)CCN1c2cccc3c(C)c(C)n(c32)CC1=O ZINC000000036906 371514255 /nfs/dbraw/zinc/51/42/55/371514255.db2.gz RJZQXZPRWWWLFS-UHFFFAOYSA-N 1 0 299.418 2.947 50 0 CFAARO c1ccc(CN2CCC([NH+]3CCCCCC3)CC2)nc1 ZINC000000207669 371557282 /nfs/dbraw/zinc/55/72/82/371557282.db2.gz RZIZARCOLNFJCS-UHFFFAOYSA-N 1 0 273.424 2.922 50 0 CFAARO C=C1[NH+]=C(SC)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000000207186 371557462 /nfs/dbraw/zinc/55/74/62/371557462.db2.gz ZRIJBDYKPYJEGF-CYBMUJFWSA-N 1 0 290.388 2.887 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000000127724 371537149 /nfs/dbraw/zinc/53/71/49/371537149.db2.gz AHLAIISGKFGMSS-SNVBAGLBSA-N 1 0 262.136 2.946 50 0 CFAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCCCCC1 ZINC000000212450 371558528 /nfs/dbraw/zinc/55/85/28/371558528.db2.gz WORFDAODWCDIGJ-OAHLLOKOSA-N 1 0 290.407 2.894 50 0 CFAARO Cc1cc(C)c(OC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000000234852 371562201 /nfs/dbraw/zinc/56/22/01/371562201.db2.gz ZIIMWQZHHUGSFL-MRXNPFEDSA-N 1 0 277.408 2.837 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000000237919 371565060 /nfs/dbraw/zinc/56/50/60/371565060.db2.gz ACXKBSSRVBDYHM-OAHLLOKOSA-N 1 0 261.365 2.770 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000000240336 371566123 /nfs/dbraw/zinc/56/61/23/371566123.db2.gz MELSFIGZWVYXNU-HOCLYGCPSA-N 1 0 277.408 2.775 50 0 CFAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(F)c(F)c1 ZINC000000254973 371569691 /nfs/dbraw/zinc/56/96/91/371569691.db2.gz BSJCXWHRODHPDE-UHFFFAOYSA-N 1 0 268.307 2.779 50 0 CFAARO OCC[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000000278852 371575983 /nfs/dbraw/zinc/57/59/83/371575983.db2.gz VLXQNFHVIMKNHX-UHFFFAOYSA-N 1 0 259.324 2.820 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)cc1OC ZINC000000293331 371580196 /nfs/dbraw/zinc/58/01/96/371580196.db2.gz FKLFVYLEEONXDY-ZIAGYGMSSA-N 1 0 279.380 2.751 50 0 CFAARO C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl ZINC000000303733 371582657 /nfs/dbraw/zinc/58/26/57/371582657.db2.gz IELWSMOKSKLORL-MRVPVSSYSA-N 1 0 298.597 2.948 50 0 CFAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1cccs1 ZINC000000317062 371586042 /nfs/dbraw/zinc/58/60/42/371586042.db2.gz OLWZNFTUURODJQ-NSHDSACASA-N 1 0 253.367 2.779 50 0 CFAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1cccs1 ZINC000000317064 371586163 /nfs/dbraw/zinc/58/61/63/371586163.db2.gz OLWZNFTUURODJQ-LLVKDONJSA-N 1 0 253.367 2.779 50 0 CFAARO COc1ccc(-c2n(C)c3ccccc3[n+]2C)cc1OC ZINC000000357014 371594156 /nfs/dbraw/zinc/59/41/56/371594156.db2.gz WARUZRRQVAKRNW-UHFFFAOYSA-N 1 0 283.351 2.687 50 0 CFAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccccc1F ZINC000000375611 371598548 /nfs/dbraw/zinc/59/85/48/371598548.db2.gz NMMKMJYWBKFVKJ-LBPRGKRZSA-N 1 0 265.328 2.857 50 0 CFAARO Cc1ccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1 ZINC000000455506 371619966 /nfs/dbraw/zinc/61/99/66/371619966.db2.gz LGGTWVMMUHUWBQ-UHFFFAOYSA-N 1 0 288.435 2.979 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2oc3ccccc3c2C)CC1 ZINC000001459138 371676783 /nfs/dbraw/zinc/67/67/83/371676783.db2.gz GMSNZUONSCRFBL-UHFFFAOYSA-N 1 0 286.375 2.955 50 0 CFAARO CC(=O)N1CC[n+]2c(-c3ccc(C)cc3C)csc21 ZINC000000510378 371633925 /nfs/dbraw/zinc/63/39/25/371633925.db2.gz RRJLBXUGZSHGMH-UHFFFAOYSA-N 1 0 273.381 2.686 50 0 CFAARO C[NH+]1CCC(OC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000000529761 371635654 /nfs/dbraw/zinc/63/56/54/371635654.db2.gz MFNLHFUEHSIUPD-UHFFFAOYSA-N 1 0 267.756 2.520 50 0 CFAARO [NH3+]CCc1nnc(SCc2c(F)cccc2Cl)o1 ZINC000000533183 371636731 /nfs/dbraw/zinc/63/67/31/371636731.db2.gz XOWUYKBMMXQYSC-UHFFFAOYSA-N 1 0 287.747 2.656 50 0 CFAARO C[N@@H+]1CCC[C@@H](OC(=O)c2ccc(Cl)cc2)C1 ZINC000000551064 371639235 /nfs/dbraw/zinc/63/92/35/371639235.db2.gz JAKUVHIHTFIPLL-GFCCVEGCSA-N 1 0 253.729 2.591 50 0 CFAARO OC[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000000753259 371646797 /nfs/dbraw/zinc/64/67/97/371646797.db2.gz XDNLUYNNTQXVES-LBPRGKRZSA-N 1 0 284.197 2.653 50 0 CFAARO O[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000000759114 371648438 /nfs/dbraw/zinc/64/84/38/371648438.db2.gz MVIBJWXEVFIMDV-LLVKDONJSA-N 1 0 275.270 2.542 50 0 CFAARO O[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000000759116 371648729 /nfs/dbraw/zinc/64/87/29/371648729.db2.gz MVIBJWXEVFIMDV-NSHDSACASA-N 1 0 275.270 2.542 50 0 CFAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccco1 ZINC000000808167 371650937 /nfs/dbraw/zinc/65/09/37/371650937.db2.gz ISBCEVPZIPFBSV-ZDUSSCGKSA-N 1 0 273.332 2.957 50 0 CFAARO C[NH+](C)CCCNc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000002250042 371719713 /nfs/dbraw/zinc/71/97/13/371719713.db2.gz KUMLFBHHDOJLLM-UHFFFAOYSA-N 1 0 287.342 2.614 50 0 CFAARO C[NH+](C)CCCOC(=O)c1ccccc1Br ZINC000002442208 371725950 /nfs/dbraw/zinc/72/59/50/371725950.db2.gz IMCXRAMMLGZPLT-UHFFFAOYSA-N 1 0 286.169 2.558 50 0 CFAARO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000002451814 371727263 /nfs/dbraw/zinc/72/72/63/371727263.db2.gz MELSFIGZWVYXNU-ZBFHGGJFSA-N 1 0 277.408 2.775 50 0 CFAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 ZINC000002497690 371730187 /nfs/dbraw/zinc/73/01/87/371730187.db2.gz RZMUABAAIKIJCD-HNNXBMFYSA-N 1 0 279.343 2.676 50 0 CFAARO CCOC(=O)[C@@]1(Cc2ccc(Cl)cc2)CCC[NH2+]C1 ZINC000002513089 371731683 /nfs/dbraw/zinc/73/16/83/371731683.db2.gz HOMFKEKEFUWXGK-OAHLLOKOSA-N 1 0 281.783 2.815 50 0 CFAARO CC[NH+](CC)CCN1C(C)=CC(C)=C[C@@H](C)C1=O ZINC000001721914 371701969 /nfs/dbraw/zinc/70/19/69/371701969.db2.gz YHGBLDSNMDEQDX-CYBMUJFWSA-N 1 0 250.386 2.657 50 0 CFAARO O=C(CC[NH+]1CCCCC1)Nc1cccc(F)c1 ZINC000002786667 371755447 /nfs/dbraw/zinc/75/54/47/371755447.db2.gz AMRXXXXBHSXFDH-UHFFFAOYSA-N 1 0 250.317 2.640 50 0 CFAARO CC[C@H](C)[NH2+]CCCOc1ccc(C(=O)OC)cc1 ZINC000002824818 371756978 /nfs/dbraw/zinc/75/69/78/371756978.db2.gz SQNZZQLOWNCPNA-LBPRGKRZSA-N 1 0 265.353 2.630 50 0 CFAARO C[NH+](C)CCCNC(=O)Nc1ccc(F)c(Cl)c1 ZINC000002857163 371759508 /nfs/dbraw/zinc/75/95/08/371759508.db2.gz QWOVTEPTCIZRCY-UHFFFAOYSA-N 1 0 273.739 2.552 50 0 CFAARO CCc1ccccc1OCCOCC[NH2+]C(C)C ZINC000002981159 371766639 /nfs/dbraw/zinc/76/66/39/371766639.db2.gz ZFFXMBCJOKMJRT-UHFFFAOYSA-N 1 0 251.370 2.642 50 0 CFAARO CCOC(=O)CCCC[NH2+]Cc1ccccc1F ZINC000003028188 371768286 /nfs/dbraw/zinc/76/82/86/371768286.db2.gz PQRAVXOOIGYTDF-UHFFFAOYSA-N 1 0 253.317 2.649 50 0 CFAARO Cc1cc(OCCCC[NH2+]CCO)ccc1C(C)C ZINC000003001818 371768578 /nfs/dbraw/zinc/76/85/78/371768578.db2.gz VIJKFRBSEJWZMB-UHFFFAOYSA-N 1 0 265.397 2.859 50 0 CFAARO CCCC[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000002998084 371768716 /nfs/dbraw/zinc/76/87/16/371768716.db2.gz JSIRIWCYYHGDPY-UHFFFAOYSA-N 1 0 285.185 2.777 50 0 CFAARO COCC[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000003003177 371769127 /nfs/dbraw/zinc/76/91/27/371769127.db2.gz WFZOYRZOOJWIEL-UHFFFAOYSA-N 1 0 271.360 2.968 50 0 CFAARO COc1ccc(CC[C@H]2[NH2+]CCn3cccc32)cc1 ZINC000003141338 371775815 /nfs/dbraw/zinc/77/58/15/371775815.db2.gz KVOHIVXSRDIIOT-OAHLLOKOSA-N 1 0 256.349 2.774 50 0 CFAARO CC[NH+](CC)CCOC(=S)NC1CCCCC1 ZINC000003132322 371776237 /nfs/dbraw/zinc/77/62/37/371776237.db2.gz UFKQCBQAWZUAGZ-UHFFFAOYSA-N 1 0 258.431 2.552 50 0 CFAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(C)cc1Br ZINC000002582540 371741369 /nfs/dbraw/zinc/74/13/69/371741369.db2.gz JWMOLPFKQUZGIE-LLVKDONJSA-N 1 0 286.169 2.711 50 0 CFAARO Cc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029141 371829597 /nfs/dbraw/zinc/82/95/97/371829597.db2.gz BSPTUJWADWOYRC-DOTOQJQBSA-N 1 0 286.419 2.989 50 0 CFAARO CCC[NH+]1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000003353703 371794719 /nfs/dbraw/zinc/79/47/19/371794719.db2.gz SRSGELDSRWJQFQ-UHFFFAOYSA-N 1 0 299.418 2.953 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000003420078 371798370 /nfs/dbraw/zinc/79/83/70/371798370.db2.gz IBFJNXZHLRLILS-CYBMUJFWSA-N 1 0 278.371 2.879 50 0 CFAARO CC(C)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000003602693 371812145 /nfs/dbraw/zinc/81/21/45/371812145.db2.gz JXUDZCJTCKCTQK-JTQLQIEISA-N 1 0 263.168 2.607 50 0 in-vitro CFAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ncc[nH]3)c2c1 ZINC000003622251 371814329 /nfs/dbraw/zinc/81/43/29/371814329.db2.gz MDYNMJKUQXLWHL-UHFFFAOYSA-N 1 0 284.363 2.540 50 0 CFAARO COc1ccc(C[C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000004290960 371846882 /nfs/dbraw/zinc/84/68/82/371846882.db2.gz PANQQHGRCGEZCM-IKGGRYGDSA-N 1 0 275.392 2.521 50 0 CFAARO C[NH+]1CCC(OC(=O)c2cc3ccccc3o2)CC1 ZINC000004476140 371857189 /nfs/dbraw/zinc/85/71/89/371857189.db2.gz WUZDILKTXWSPLI-UHFFFAOYSA-N 1 0 259.305 2.684 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1ccc(OC2CCCC2)cc1 ZINC000004670877 371871250 /nfs/dbraw/zinc/87/12/50/371871250.db2.gz YYIQWLVUJAOKKF-AWEZNQCLSA-N 1 0 263.381 2.869 50 0 CFAARO CCC(CC)[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000004685549 371873822 /nfs/dbraw/zinc/87/38/22/371873822.db2.gz GCXHLFMXRIUUMO-UHFFFAOYSA-N 1 0 267.369 2.991 50 0 CFAARO CC[C@@H](C)NC(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004679879 371873929 /nfs/dbraw/zinc/87/39/29/371873929.db2.gz QGBTZMJGDNJAFG-CABCVRRESA-N 1 0 278.440 2.969 50 0 CFAARO FC(F)(F)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000004207064 371842577 /nfs/dbraw/zinc/84/25/77/371842577.db2.gz WWZHELMAWQPKCQ-UHFFFAOYSA-N 1 0 272.314 2.803 50 0 CFAARO c1sc2c(c1C[NH+]1CCC3(CC1)OCCO3)CCCC2 ZINC000006895109 371893645 /nfs/dbraw/zinc/89/36/45/371893645.db2.gz RMFZWMMLZWRMAJ-UHFFFAOYSA-N 1 0 293.432 2.966 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000012382515 371957389 /nfs/dbraw/zinc/95/73/89/371957389.db2.gz CYCZZPOPDCWKHB-UHFFFAOYSA-N 1 0 294.826 2.872 50 0 CFAARO C[N@@H+]1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000012436509 371964501 /nfs/dbraw/zinc/96/45/01/371964501.db2.gz TVRFABREAYQAQA-MJGOQNOKSA-N 1 0 295.382 2.709 50 0 CFAARO O=C(CCC1CC[NH+]([C@H]2CCSC2)CC1)N1CCCC1 ZINC000012455356 371965267 /nfs/dbraw/zinc/96/52/67/371965267.db2.gz GCHBGPUCSYQRMK-HNNXBMFYSA-N 1 0 296.480 2.607 50 0 CFAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](CC2CCCC2)C1 ZINC000012703609 371980760 /nfs/dbraw/zinc/98/07/60/371980760.db2.gz AIBXUOHFGCOFAN-QGZVFWFLSA-N 1 0 297.439 2.858 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2ccc3ccccc3n2)CC1 ZINC000012892829 371994073 /nfs/dbraw/zinc/99/40/73/371994073.db2.gz ZNIGXHMSUNSSBG-UHFFFAOYSA-N 1 0 297.402 2.837 50 0 CFAARO CC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000012912840 371997473 /nfs/dbraw/zinc/99/74/73/371997473.db2.gz AFMFDRBCNSSYPZ-UHFFFAOYSA-N 1 0 291.782 2.580 50 0 CFAARO CNC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000012333706 371953511 /nfs/dbraw/zinc/95/35/11/371953511.db2.gz ILBIFXSVAWJIMN-UHFFFAOYSA-N 1 0 274.408 2.768 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)cc1 ZINC000013426439 372026579 /nfs/dbraw/zinc/02/65/79/372026579.db2.gz PCTOTSPQXJTUKT-HRCADAONSA-N 1 0 261.365 2.651 50 0 CFAARO COc1cccc(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000013672831 372039399 /nfs/dbraw/zinc/03/93/99/372039399.db2.gz KCXSKWQNZDDQCR-UHFFFAOYSA-N 1 0 290.407 2.547 50 0 CFAARO COc1ccc(C[NH2+]CCCOC(C)C)c(OC)c1 ZINC000013718099 372043376 /nfs/dbraw/zinc/04/33/76/372043376.db2.gz VVYWCUBLFSQESX-UHFFFAOYSA-N 1 0 267.369 2.609 50 0 CFAARO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCCO ZINC000013730895 372044026 /nfs/dbraw/zinc/04/40/26/372044026.db2.gz RUBCBBFRKPHABE-UHFFFAOYSA-N 1 0 293.407 2.879 50 0 CFAARO O=C(NCC[NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000013942691 372053119 /nfs/dbraw/zinc/05/31/19/372053119.db2.gz WRYZCQIIDMJIOP-UHFFFAOYSA-N 1 0 288.778 2.860 50 0 CFAARO CN(C(=O)c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000012973407 372004975 /nfs/dbraw/zinc/00/49/75/372004975.db2.gz NOMBDDLITQXGFQ-UHFFFAOYSA-N 1 0 266.772 2.506 50 0 CFAARO O=C(Nc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000012981273 372006220 /nfs/dbraw/zinc/00/62/20/372006220.db2.gz UBKKWGSNRBQAKZ-UHFFFAOYSA-N 1 0 273.380 2.779 50 0 CFAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000012985314 372007622 /nfs/dbraw/zinc/00/76/22/372007622.db2.gz JZADWTGFRCZBJM-UHFFFAOYSA-N 1 0 292.810 2.831 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2cccc(OCC)c2)CC1 ZINC000016605270 372112949 /nfs/dbraw/zinc/11/29/49/372112949.db2.gz ZNRDYABYJBJXRY-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000016604468 372113367 /nfs/dbraw/zinc/11/33/67/372113367.db2.gz BWBYVBBLVLLKOO-UHFFFAOYSA-N 1 0 272.801 2.616 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2cc3c(s2)CCCC3)CC1 ZINC000016604155 372113619 /nfs/dbraw/zinc/11/36/19/372113619.db2.gz NQVMWHCXIQBSPF-UHFFFAOYSA-N 1 0 292.448 2.841 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000016662732 372116278 /nfs/dbraw/zinc/11/62/78/372116278.db2.gz GFERWCPUELFWDB-AWEZNQCLSA-N 1 0 253.386 2.842 50 0 CFAARO Cc1ccc(C)c([C@@H](C)[NH2+]CC(=O)NCc2ccco2)c1 ZINC000016695407 372118335 /nfs/dbraw/zinc/11/83/35/372118335.db2.gz WHJRJLITZZZYRP-CQSZACIVSA-N 1 0 286.375 2.863 50 0 CFAARO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc(F)cc2)o1 ZINC000014200846 372064646 /nfs/dbraw/zinc/06/46/46/372064646.db2.gz CMKUDJDCCPOTJL-CQSZACIVSA-N 1 0 293.338 2.599 50 0 CFAARO C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000015261512 372081818 /nfs/dbraw/zinc/08/18/18/372081818.db2.gz HAORNFIYIXZFPZ-RYUDHWBXSA-N 1 0 266.410 2.800 50 0 CFAARO COc1cc(C)c(C[NH2+]Cc2ccncc2)cc1C ZINC000016941725 372121288 /nfs/dbraw/zinc/12/12/88/372121288.db2.gz KUYXWKUYAFCAMG-UHFFFAOYSA-N 1 0 256.349 2.997 50 0 CFAARO C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237514581 189879413 /nfs/dbraw/zinc/87/94/13/189879413.db2.gz JYVUXQUETHOYJZ-BZPMIXESSA-N 1 0 280.437 2.513 50 0 CFAARO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000019701902 372180985 /nfs/dbraw/zinc/18/09/85/372180985.db2.gz BVUQRLUQFAYYFL-ZDUSSCGKSA-N 1 0 279.380 2.751 50 0 CFAARO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000019408097 372160296 /nfs/dbraw/zinc/16/02/96/372160296.db2.gz WZKUTVIACZTEND-OAHLLOKOSA-N 1 0 261.365 2.723 50 0 CFAARO CC(C)[NH+]1CCN(Cc2ccccc2Br)CC1 ZINC000019448013 372164330 /nfs/dbraw/zinc/16/43/30/372164330.db2.gz XLKYQZDSTJAFCA-UHFFFAOYSA-N 1 0 297.240 2.975 50 0 CFAARO CC1CCC([NH+]2CCN(Cc3cccnc3)CC2)CC1 ZINC000019495954 372167584 /nfs/dbraw/zinc/16/75/84/372167584.db2.gz ZXOZQKJHZGDQPQ-UHFFFAOYSA-N 1 0 273.424 2.778 50 0 CFAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21 ZINC000019518620 372172499 /nfs/dbraw/zinc/17/24/99/372172499.db2.gz IEWOUUVCBPDTNK-MRXNPFEDSA-N 1 0 280.371 2.536 50 0 CFAARO CN1CCC[N@H+](Cc2cccc3ccccc32)CC1 ZINC000019536401 372173639 /nfs/dbraw/zinc/17/36/39/372173639.db2.gz GJDFNBFJNARFOE-UHFFFAOYSA-N 1 0 254.377 2.977 50 0 CFAARO CCOc1ccc(CN2CC[NH+](C(C)C)CC2)cc1 ZINC000019533314 372174472 /nfs/dbraw/zinc/17/44/72/372174472.db2.gz AKVZZAUKYKHSLD-UHFFFAOYSA-N 1 0 262.397 2.611 50 0 CFAARO Cn1ncc2c1ncnc2NC12CC3CC(CC(C3)C1)C2 ZINC000020661888 372239124 /nfs/dbraw/zinc/23/91/24/372239124.db2.gz XLGKJXAUPZPRAM-UHFFFAOYSA-N 1 0 283.379 2.744 50 0 CFAARO Cc1cc(CN2CCN(c3ccccc3O)CC2)c(C)o1 ZINC000020541100 372239167 /nfs/dbraw/zinc/23/91/67/372239167.db2.gz MUPGYIBULFNGHW-UHFFFAOYSA-N 1 0 286.375 2.924 50 0 CFAARO COCC[NH2+]C[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000019738044 372183602 /nfs/dbraw/zinc/18/36/02/372183602.db2.gz ZIFDJBHBXMBEGE-VIFPVBQESA-N 1 0 278.179 2.997 50 0 CFAARO CCOCCOc1ccccc1CNCC[NH+](CC)CC ZINC000019737648 372183867 /nfs/dbraw/zinc/18/38/67/372183867.db2.gz VOQSCMJBNUJENC-UHFFFAOYSA-N 1 0 294.439 2.533 50 0 CFAARO O=C(Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000019790234 372187975 /nfs/dbraw/zinc/18/79/75/372187975.db2.gz NDPCXSSCMJTKCR-UHFFFAOYSA-N 1 0 286.419 2.706 50 0 CFAARO COCC[NH2+][C@@H](C)c1ccccc1Br ZINC000019881410 372202418 /nfs/dbraw/zinc/20/24/18/372202418.db2.gz CGEAPWAJUOOYOT-VIFPVBQESA-N 1 0 258.159 2.746 50 0 CFAARO Cc1nc(-c2ccccc2)[nH]c1CN1CC[NH+](C(C)C)CC1 ZINC000019884285 372202457 /nfs/dbraw/zinc/20/24/57/372202457.db2.gz NXCRNSQXHNYECF-UHFFFAOYSA-N 1 0 298.434 2.911 50 0 CFAARO CCCCc1nc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c[nH]1 ZINC000022913848 372248834 /nfs/dbraw/zinc/24/88/34/372248834.db2.gz BPFOODCSZXZQPY-MRXNPFEDSA-N 1 0 290.455 2.813 50 0 CFAARO c1cc(-c2ccccc2)sc1CN1CC[NH2+]CC1 ZINC000022935080 372248974 /nfs/dbraw/zinc/24/89/74/372248974.db2.gz ICTGLJZWSFWSGS-UHFFFAOYSA-N 1 0 258.390 2.820 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1cccs1)c1cccs1 ZINC000023105555 372250212 /nfs/dbraw/zinc/25/02/12/372250212.db2.gz MYHMRVLPXDAFKG-SNVBAGLBSA-N 1 0 280.418 2.842 50 0 CFAARO OC[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000023115121 372252587 /nfs/dbraw/zinc/25/25/87/372252587.db2.gz KPBJBDRGPFJSLV-LLVKDONJSA-N 1 0 273.298 2.910 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c2ccccc12 ZINC000023282019 372255794 /nfs/dbraw/zinc/25/57/94/372255794.db2.gz IUVMYLWLZSPKMT-CQSZACIVSA-N 1 0 271.360 2.805 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cccnc2)cc1 ZINC000023282705 372258610 /nfs/dbraw/zinc/25/86/10/372258610.db2.gz BHPPLESBMVMJEX-CYBMUJFWSA-N 1 0 256.349 2.811 50 0 CFAARO C[C@@H](CC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000023282084 372259239 /nfs/dbraw/zinc/25/92/39/372259239.db2.gz JBLYGOPLFJUOCM-INIZCTEOSA-N 1 0 296.418 2.792 50 0 CFAARO CC[NH+]1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000023623170 372263211 /nfs/dbraw/zinc/26/32/11/372263211.db2.gz GMOWHAQVRBVHKS-UHFFFAOYSA-N 1 0 261.369 2.601 50 0 CFAARO C/C=C/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC000024778441 372282008 /nfs/dbraw/zinc/28/20/08/372282008.db2.gz KGTDDHVKEIFSCQ-YTXTXJHMSA-N 1 0 299.418 2.818 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccc(F)cc1)c1cccs1 ZINC000024991059 372287406 /nfs/dbraw/zinc/28/74/06/372287406.db2.gz CYXWIKSOIGYLHW-CYBMUJFWSA-N 1 0 292.379 2.920 50 0 CFAARO NC(=O)[C@H]([NH2+]CCCCc1ccccc1)c1ccccc1 ZINC000026225672 372316701 /nfs/dbraw/zinc/31/67/01/372316701.db2.gz XQXHAWHLJPEDBX-QGZVFWFLSA-N 1 0 282.387 2.826 50 0 CFAARO C[NH+](C)CCCNc1nc2c(cccc2F)s1 ZINC000026424026 372319677 /nfs/dbraw/zinc/31/96/77/372319677.db2.gz LDBWXEVZZIVBOX-UHFFFAOYSA-N 1 0 253.346 2.799 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000029606955 372382942 /nfs/dbraw/zinc/38/29/42/372382942.db2.gz KVJINRTUFSFILB-UHFFFAOYSA-N 1 0 284.762 2.693 50 0 CFAARO CC[C@H](C[NH2+]Cc1ccc(NC(C)=O)cc1)N1CCCC1 ZINC000030902804 372401627 /nfs/dbraw/zinc/40/16/27/372401627.db2.gz UCCVQCZSEIQHDH-QGZVFWFLSA-N 1 0 289.423 2.609 50 0 CFAARO CC(C)Oc1cccc(CNCCC[NH+](C)C)c1 ZINC000032105912 372426505 /nfs/dbraw/zinc/42/65/05/372426505.db2.gz XXLOPSUGEUYVLR-UHFFFAOYSA-N 1 0 250.386 2.515 50 0 CFAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccco1 ZINC000032461862 372440374 /nfs/dbraw/zinc/44/03/74/372440374.db2.gz CMHLJBKKUIAKEW-UHFFFAOYSA-N 1 0 284.359 2.805 50 0 CFAARO CCN1CCC[C@@H]([N@@H+]2CCC[C@@H](CCCOC)C2)C1 ZINC000032500583 372441216 /nfs/dbraw/zinc/44/12/16/372441216.db2.gz NPFJQSFDXRVZQX-JKSUJKDBSA-N 1 0 268.445 2.609 50 0 CFAARO Cc1nccnc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032513715 372441474 /nfs/dbraw/zinc/44/14/74/372441474.db2.gz ZPYAUBXLCOFVBN-INIZCTEOSA-N 1 0 282.391 2.719 50 0 CFAARO Fc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000032652010 372454259 /nfs/dbraw/zinc/45/42/59/372454259.db2.gz VGPOKQOWGQEMQJ-UHFFFAOYSA-N 1 0 285.366 2.585 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC000032747849 372458717 /nfs/dbraw/zinc/45/87/17/372458717.db2.gz WHGOEQJRXVXRDO-ZBFHGGJFSA-N 1 0 272.392 2.762 50 0 CFAARO Cc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000032788585 372463050 /nfs/dbraw/zinc/46/30/50/372463050.db2.gz JGFABYLTHYHGJN-KRWDZBQOSA-N 1 0 298.386 2.869 50 0 CFAARO Cc1ccccc1COc1cccc(C[NH2+]CCO)c1 ZINC000033440394 372494101 /nfs/dbraw/zinc/49/41/01/372494101.db2.gz JASODAXOECGCPY-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1 ZINC000034754777 372514642 /nfs/dbraw/zinc/51/46/42/372514642.db2.gz ZJIUNFXZNFHXCE-GUYCJALGSA-N 1 0 280.371 2.578 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Cc1cccs1)c1cccs1 ZINC000036079494 372555644 /nfs/dbraw/zinc/55/56/44/372555644.db2.gz IUAVRCNAZYCBFH-GFCCVEGCSA-N 1 0 294.445 2.771 50 0 CFAARO CC(C)CC[N@@H+]1CCN(Cc2ccsc2)C[C@H]1CCO ZINC000036385560 372576657 /nfs/dbraw/zinc/57/66/57/372576657.db2.gz FKRRBSWYRSWZAP-MRXNPFEDSA-N 1 0 296.480 2.663 50 0 CFAARO Cc1ccc(Cl)cc1NC(=O)C[NH2+]CC1CCC1 ZINC000036823809 372599234 /nfs/dbraw/zinc/59/92/34/372599234.db2.gz LXRAVJUCKQPTAQ-UHFFFAOYSA-N 1 0 266.772 2.977 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCCN1CCc2ccccc21 ZINC000036864789 372604466 /nfs/dbraw/zinc/60/44/66/372604466.db2.gz MYHXLOQWQCCXOH-UHFFFAOYSA-N 1 0 284.407 2.569 50 0 CFAARO CCn1c2ccccc2nc1CNC1CC[NH+](CC)CC1 ZINC000037977292 372746442 /nfs/dbraw/zinc/74/64/42/372746442.db2.gz QOSDLHAFIOAAKL-UHFFFAOYSA-N 1 0 286.423 2.630 50 0 CFAARO COCc1cccc(C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000038010943 372763739 /nfs/dbraw/zinc/76/37/39/372763739.db2.gz QZMMAEZFYRLHBQ-UHFFFAOYSA-N 1 0 281.359 2.771 50 0 CFAARO CCC[NH+](CCC)C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000042244977 372893562 /nfs/dbraw/zinc/89/35/62/372893562.db2.gz CMOYNYATQYRFJW-CYBMUJFWSA-N 1 0 265.353 2.571 50 0 CFAARO CC[NH+](CC)[C@@H](CNC(=O)NC1CC1)c1ccsc1 ZINC000042310084 372904303 /nfs/dbraw/zinc/90/43/03/372904303.db2.gz IOUMDYFZHDRDDS-ZDUSSCGKSA-N 1 0 281.425 2.593 50 0 CFAARO C[C@H](CNC(=O)C[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC000042502873 372928627 /nfs/dbraw/zinc/92/86/27/372928627.db2.gz UASAEECTNMCYBX-LSDHHAIUSA-N 1 0 274.408 2.781 50 0 CFAARO CCc1cc(Br)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770213 372953587 /nfs/dbraw/zinc/95/35/87/372953587.db2.gz NZBKFPUQVLEKTP-SNVBAGLBSA-N 1 0 284.197 3.000 50 0 CFAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000042684505 372946517 /nfs/dbraw/zinc/94/65/17/372946517.db2.gz TUKGCVNJUUPUEN-HNNXBMFYSA-N 1 0 261.365 2.994 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](O)c2ccccc2)o1 ZINC000042926483 372967963 /nfs/dbraw/zinc/96/79/63/372967963.db2.gz AXJFQTIGBZJQCX-OAHLLOKOSA-N 1 0 297.358 2.801 50 0 CFAARO Clc1ccc(OC[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000042771420 372954847 /nfs/dbraw/zinc/95/48/47/372954847.db2.gz OQOYAEYBFNVTQM-JTQLQIEISA-N 1 0 262.740 2.877 50 0 CFAARO CN(Cc1cnc2ccccc2c1)C[C@@H]1CCC[N@@H+]1C ZINC000243893458 189906185 /nfs/dbraw/zinc/90/61/85/189906185.db2.gz ARLXGUGZQDZAMI-INIZCTEOSA-N 1 0 269.392 2.761 50 0 CFAARO CCOc1ccc([C@H](C)[N@H+](C)CCN2CCCC2=O)cc1 ZINC000244678944 189908690 /nfs/dbraw/zinc/90/86/90/189908690.db2.gz IMVXEYWGGMEICE-AWEZNQCLSA-N 1 0 290.407 2.701 50 0 CFAARO Cc1nc(CCN(C)CC[N@H+](C)C2CCCC2)cs1 ZINC000244724625 189910531 /nfs/dbraw/zinc/91/05/31/189910531.db2.gz MXOIKXVIIJQIFP-UHFFFAOYSA-N 1 0 281.469 2.800 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1)c1cccs1 ZINC000048235963 373154428 /nfs/dbraw/zinc/15/44/28/373154428.db2.gz ADGGFULHCQOBEP-LBPRGKRZSA-N 1 0 290.392 2.568 50 0 CFAARO CC[NH+](CC)CC1CCN(Cc2nc(C3CC3)no2)CC1 ZINC000047978555 373136995 /nfs/dbraw/zinc/13/69/95/373136995.db2.gz CKADZLHRHGQBBF-UHFFFAOYSA-N 1 0 292.427 2.501 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)Nc1ccccc1Cl ZINC000048908619 373228891 /nfs/dbraw/zinc/22/88/91/373228891.db2.gz BFZZCRLSWWMYAX-UHFFFAOYSA-N 1 0 281.787 2.947 50 0 CFAARO CCCc1noc([C@H](C)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000051952938 373420917 /nfs/dbraw/zinc/42/09/17/373420917.db2.gz IONBTRNKSPCEOT-ZDUSSCGKSA-N 1 0 292.427 2.643 50 0 CFAARO [NH3+][C@@H](CC(=O)N1Cc2ccccc2C1)c1ccccc1 ZINC000050912455 373383215 /nfs/dbraw/zinc/38/32/15/373383215.db2.gz RXQCSMPITQKUJN-INIZCTEOSA-N 1 0 266.344 2.619 50 0 CFAARO O=C(NCC[NH+]1CCCC1)c1cc2ccccc2s1 ZINC000052851893 373454460 /nfs/dbraw/zinc/45/44/60/373454460.db2.gz YTYLLWMLIODQGS-UHFFFAOYSA-N 1 0 274.389 2.727 50 0 CFAARO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 ZINC000052908505 373455917 /nfs/dbraw/zinc/45/59/17/373455917.db2.gz XGWOXGMSBFNJAW-UHFFFAOYSA-N 1 0 271.364 2.688 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000069818309 220205700 /nfs/dbraw/zinc/20/57/00/220205700.db2.gz UVJOGWQLSPZSKI-HAZIXKIPSA-N 1 0 286.419 2.543 50 0 CFAARO O=C(c1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000054992076 373532385 /nfs/dbraw/zinc/53/23/85/373532385.db2.gz IZZAGKNTQPKPAT-UHFFFAOYSA-N 1 0 278.421 2.839 50 0 CFAARO CC(C)C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000053907116 373489043 /nfs/dbraw/zinc/48/90/43/373489043.db2.gz YICCGTADQJPFAE-UHFFFAOYSA-N 1 0 262.397 2.611 50 0 CFAARO CC[NH+]1CCN(C(=O)/C=C/c2ccc(C(C)C)cc2)CC1 ZINC000055080769 373538846 /nfs/dbraw/zinc/53/88/46/373538846.db2.gz BTYDXIFKMKSDTM-JXMROGBWSA-N 1 0 286.419 2.987 50 0 CFAARO C[C@@H](CNC(=O)/C=C/c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000055932987 373560415 /nfs/dbraw/zinc/56/04/15/373560415.db2.gz WYSGDZHJTJOBLT-RNVIBTMRSA-N 1 0 290.382 2.830 50 0 CFAARO c1ccc(C[NH+]2CCC(NCc3ccccn3)CC2)cc1 ZINC000058014875 373622893 /nfs/dbraw/zinc/62/28/93/373622893.db2.gz MJMMSAMDGASLJJ-UHFFFAOYSA-N 1 0 281.403 2.836 50 0 CFAARO C[NH+](C)C[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 ZINC000058156292 373627324 /nfs/dbraw/zinc/62/73/24/373627324.db2.gz DPZZXZCLUXUOLD-ZDUSSCGKSA-N 1 0 294.826 2.683 50 0 CFAARO COC(=O)CC[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000058162362 373629478 /nfs/dbraw/zinc/62/94/78/373629478.db2.gz NAOJNJVXTYPUHO-UHFFFAOYSA-N 1 0 279.380 2.716 50 0 CFAARO CC[C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000058265257 373639379 /nfs/dbraw/zinc/63/93/79/373639379.db2.gz YRRYCOUBMRQLGX-OFQRWUPVSA-N 1 0 274.408 2.984 50 0 CFAARO CN(C(=O)CCn1ccc2ccccc21)C1CC[NH+](C)CC1 ZINC000058299510 373643364 /nfs/dbraw/zinc/64/33/64/373643364.db2.gz UCMAKCCMVOFBTL-UHFFFAOYSA-N 1 0 299.418 2.584 50 0 CFAARO COc1c(C[NH2+][C@@H]2CCCc3ccccc32)c(C)nn1C ZINC000058416301 373656506 /nfs/dbraw/zinc/65/65/06/373656506.db2.gz INYYAGRXPALGNB-MRXNPFEDSA-N 1 0 285.391 2.904 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc2ccccc21 ZINC000060343613 373691489 /nfs/dbraw/zinc/69/14/89/373691489.db2.gz LPZXSCSDEGYQHR-MRXNPFEDSA-N 1 0 295.386 2.529 50 0 CFAARO [NH3+]Cc1ccc(C(=O)N2CCCc3ccccc3C2)cc1 ZINC000062944384 373774743 /nfs/dbraw/zinc/77/47/43/373774743.db2.gz LTPZFLNZBLZFLN-UHFFFAOYSA-N 1 0 280.371 2.734 50 0 CFAARO COC(=O)CCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000062015334 373742539 /nfs/dbraw/zinc/74/25/39/373742539.db2.gz QQZRIHOSSPOWGO-LLVKDONJSA-N 1 0 253.317 2.772 50 0 CFAARO CCCCC[NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000063120303 373786258 /nfs/dbraw/zinc/78/62/58/373786258.db2.gz XVHTZOWGBFQFRL-LLVKDONJSA-N 1 0 259.353 2.764 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]CCc1nc(C)cs1 ZINC000063132588 373787138 /nfs/dbraw/zinc/78/71/38/373787138.db2.gz RTHPPZSKFZJBCB-SNVBAGLBSA-N 1 0 256.415 2.787 50 0 CFAARO C[C@H](CC(C)(C)O)[NH2+]CCOc1ccccc1Cl ZINC000065490518 373878127 /nfs/dbraw/zinc/87/81/27/373878127.db2.gz YGMPGGKYTQEOLY-LLVKDONJSA-N 1 0 271.788 2.858 50 0 CFAARO Cc1cccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000065474683 373878287 /nfs/dbraw/zinc/87/82/87/373878287.db2.gz SRUMRRWZVWUMPF-UHFFFAOYSA-N 1 0 260.381 2.551 50 0 CFAARO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(-n2cccn2)cc1 ZINC000065503041 373880291 /nfs/dbraw/zinc/88/02/91/373880291.db2.gz FBBQMRCQTBCNFL-UHFFFAOYSA-N 1 0 297.358 2.590 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000065497482 373880350 /nfs/dbraw/zinc/88/03/50/373880350.db2.gz JBTPFVAHHFJGBJ-ZDUSSCGKSA-N 1 0 288.395 2.561 50 0 CFAARO Cc1ccnc(NC[C@@H]2CC[N@H+](Cc3cccnc3)C2)c1 ZINC000065512340 373882441 /nfs/dbraw/zinc/88/24/41/373882441.db2.gz WEUHTPRKJWJTJB-INIZCTEOSA-N 1 0 282.391 2.719 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000065588765 373891282 /nfs/dbraw/zinc/89/12/82/373891282.db2.gz TZILFLZJBLRANG-HNNXBMFYSA-N 1 0 260.381 2.551 50 0 CFAARO CC(C)c1nn(C)cc1C[NH2+]CCc1cn2ccccc2n1 ZINC000065588867 373891980 /nfs/dbraw/zinc/89/19/80/373891980.db2.gz FBVMBFYNDXXAPP-UHFFFAOYSA-N 1 0 297.406 2.524 50 0 CFAARO Cc1ccc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)o1 ZINC000065288588 373854999 /nfs/dbraw/zinc/85/49/99/373854999.db2.gz YNAXOZKDAAACJO-QGZVFWFLSA-N 1 0 286.375 2.929 50 0 CFAARO Cc1ccnc(NCC[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000065370204 373858803 /nfs/dbraw/zinc/85/88/03/373858803.db2.gz DIOVNJRYRXBEMM-JTQLQIEISA-N 1 0 261.291 2.732 50 0 CFAARO Cc1nc(C)n(CCC[NH2+][C@H](C)Cc2ccccc2F)n1 ZINC000065385920 373864382 /nfs/dbraw/zinc/86/43/82/373864382.db2.gz OCLMECSJMJDIHZ-GFCCVEGCSA-N 1 0 290.386 2.645 50 0 CFAARO Cc1ccccc1NC(=O)C[NH2+][C@H](C)COc1ccccc1 ZINC000065385420 373864750 /nfs/dbraw/zinc/86/47/50/373864750.db2.gz IGQYTEOFZUCLKT-OAHLLOKOSA-N 1 0 298.386 2.991 50 0 CFAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc2nonc21 ZINC000065405249 373865966 /nfs/dbraw/zinc/86/59/66/373865966.db2.gz IJIWEBKXHXHXLQ-NSHDSACASA-N 1 0 268.320 2.811 50 0 CFAARO Cc1cccc(OCC[N@@H+]2CCCC[C@H]2CO)c1C ZINC000065418922 373868393 /nfs/dbraw/zinc/86/83/93/373868393.db2.gz JJCBAQBOOSDMAT-HNNXBMFYSA-N 1 0 263.381 2.529 50 0 CFAARO CCOc1ccc(CN(C)C[C@@]2(C)CC[N@H+](C)C2)cc1 ZINC000065456076 373872587 /nfs/dbraw/zinc/87/25/87/373872587.db2.gz XAFMMHDHPYMDFU-KRWDZBQOSA-N 1 0 276.424 2.859 50 0 CFAARO Cc1cc(C)nc(N(C)CCC[NH+]2CCCCCC2)n1 ZINC000065461073 373876146 /nfs/dbraw/zinc/87/61/46/373876146.db2.gz JEJLGIALQUMETB-UHFFFAOYSA-N 1 0 276.428 2.796 50 0 CFAARO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCCC3)c2)CCO1 ZINC000066875189 373960321 /nfs/dbraw/zinc/96/03/21/373960321.db2.gz VFOXXPVJXONHQT-OAHLLOKOSA-N 1 0 288.435 2.940 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccco1 ZINC000066405515 373930271 /nfs/dbraw/zinc/93/02/71/373930271.db2.gz DOENIXQLBWKQEH-QWHCGFSZSA-N 1 0 264.369 2.721 50 0 CFAARO CC(C)=Cc1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000067805240 374004972 /nfs/dbraw/zinc/00/49/72/374004972.db2.gz QEEGDFAXNHCBBJ-UHFFFAOYSA-N 1 0 270.336 2.509 50 0 CFAARO CCOc1ccc2[nH]c(=O)c(C[N@H+]3CC=CCC3)cc2c1 ZINC000067879594 374013615 /nfs/dbraw/zinc/01/36/15/374013615.db2.gz YQCSXKBERBNECC-UHFFFAOYSA-N 1 0 284.359 2.689 50 0 CFAARO Cc1cnc(C)c(N2CCC3(CC2)CCC[N@@H+](C)CC3)n1 ZINC000067934921 374014803 /nfs/dbraw/zinc/01/48/03/374014803.db2.gz ZAPIBNQWCUKHTA-UHFFFAOYSA-N 1 0 288.439 2.796 50 0 CFAARO COCc1cc(C[NH2+][C@H]2CCCC(C)(C)C2)[nH]n1 ZINC000067935097 374015692 /nfs/dbraw/zinc/01/56/92/374015692.db2.gz BAMQQDUEWBPRNB-NSHDSACASA-N 1 0 251.374 2.615 50 0 CFAARO COc1c(F)cc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000067946687 374017657 /nfs/dbraw/zinc/01/76/57/374017657.db2.gz PMYYVXDYKDMEIB-INIZCTEOSA-N 1 0 296.361 2.549 50 0 CFAARO CCc1csc(C[NH2+][C@H](C)CC(C)(C)OC)n1 ZINC000067947831 374018241 /nfs/dbraw/zinc/01/82/41/374018241.db2.gz RRCVWOXFFXVCAA-SNVBAGLBSA-N 1 0 256.415 2.999 50 0 CFAARO Clc1ccc(-c2n[nH]cc2C[NH2+]C2CCOCC2)cc1 ZINC000067220241 373974309 /nfs/dbraw/zinc/97/43/09/373974309.db2.gz IDGDGMKYTZNMPF-UHFFFAOYSA-N 1 0 291.782 2.999 50 0 CFAARO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[NH2+]C1 ZINC000067654189 373989184 /nfs/dbraw/zinc/98/91/84/373989184.db2.gz QGQOYLSKUNZKGO-HNNXBMFYSA-N 1 0 281.783 2.815 50 0 CFAARO CC[C@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC[NH2+]1 ZINC000067654276 373989774 /nfs/dbraw/zinc/98/97/74/373989774.db2.gz JNZBMESHUREUHS-AWEZNQCLSA-N 1 0 285.391 2.609 50 0 CFAARO C([NH2+]C1CSCCSC1)c1[nH]nc2c1CCCCC2 ZINC000067695153 373994151 /nfs/dbraw/zinc/99/41/51/373994151.db2.gz GOHAMLGBTSEEJW-UHFFFAOYSA-N 1 0 297.493 2.617 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000069599058 374078556 /nfs/dbraw/zinc/07/85/56/374078556.db2.gz YMQDHCHTEKPRHO-CABCVRRESA-N 1 0 276.355 2.525 50 0 CFAARO CC(C)C[NH+]1CCN(Cn2cc(-c3ccccc3)cn2)CC1 ZINC000068313934 374026141 /nfs/dbraw/zinc/02/61/41/374026141.db2.gz KYQFXVUBCNMWIL-UHFFFAOYSA-N 1 0 298.434 2.781 50 0 CFAARO CCC[N@@H+]1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000069665635 374083453 /nfs/dbraw/zinc/08/34/53/374083453.db2.gz GWUZWUIJBSVWRX-UHFFFAOYSA-N 1 0 282.334 2.523 50 0 CFAARO CC(C)(C)[C@@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069627807 374080776 /nfs/dbraw/zinc/08/07/76/374080776.db2.gz AUXNMCHUNKTRFJ-INIZCTEOSA-N 1 0 282.472 2.591 50 0 CFAARO C([C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1)N1CCCCC1 ZINC000069078356 374045279 /nfs/dbraw/zinc/04/52/79/374045279.db2.gz JDBPKYNBHDYTNL-HOTGVXAUSA-N 1 0 266.429 2.506 50 0 CFAARO CN1CC[N@H+](CCc2ccncc2)Cc2ccccc21 ZINC000069090703 374047214 /nfs/dbraw/zinc/04/72/14/374047214.db2.gz MRMAARNKPHYIKO-UHFFFAOYSA-N 1 0 267.376 2.576 50 0 CFAARO CC(C)C[N@H+](CC(=O)N[C@@H](C)c1ccco1)C1CC1 ZINC000069322029 374053696 /nfs/dbraw/zinc/05/36/96/374053696.db2.gz CRQMEQCQWGRRKN-LBPRGKRZSA-N 1 0 264.369 2.577 50 0 CFAARO C[NH2+]Cc1cccc(NC(=O)CC[C@H]2CCCCO2)c1 ZINC000069398685 374059104 /nfs/dbraw/zinc/05/91/04/374059104.db2.gz OMSFWNLEODZZHH-OAHLLOKOSA-N 1 0 276.380 2.694 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cnn(-c3ccccc3)c2)c1 ZINC000069490127 374068116 /nfs/dbraw/zinc/06/81/16/374068116.db2.gz YCWMERQZGNZEOZ-OAHLLOKOSA-N 1 0 295.390 2.556 50 0 CFAARO NC(=O)c1cccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000069520133 374069939 /nfs/dbraw/zinc/06/99/39/374069939.db2.gz LXAIHXZZWAANNW-QGZVFWFLSA-N 1 0 280.371 2.775 50 0 CFAARO CCCCc1noc([C@H](C)N2CC[NH+](CCC)CC2)n1 ZINC000069583965 374076290 /nfs/dbraw/zinc/07/62/90/374076290.db2.gz UKFKIOVPDRQTIU-ZDUSSCGKSA-N 1 0 280.416 2.501 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000069951058 374111112 /nfs/dbraw/zinc/11/11/12/374111112.db2.gz VUJNITCHSFCSGP-GJZGRUSLSA-N 1 0 292.448 2.766 50 0 CFAARO CCC(=O)N1CCC[N@H+](CCc2ccc(CC)cc2)CC1 ZINC000069967434 374111431 /nfs/dbraw/zinc/11/14/31/374111431.db2.gz AWOJLBJPZGKWSD-UHFFFAOYSA-N 1 0 288.435 2.736 50 0 CFAARO CC(C)(C)[C@H]([NH2+]C[C@H](O)Cn1cccn1)c1cccs1 ZINC000070012358 374114813 /nfs/dbraw/zinc/11/48/13/374114813.db2.gz QHXZBOXQIJTDOY-GXTWGEPZSA-N 1 0 293.436 2.683 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1OC ZINC000070070289 374118757 /nfs/dbraw/zinc/11/87/57/374118757.db2.gz ZIXJRJBICBVIBJ-CQSZACIVSA-N 1 0 285.343 2.927 50 0 CFAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2c(C)noc2C)c1 ZINC000070040806 374119874 /nfs/dbraw/zinc/11/98/74/374119874.db2.gz YESADRWKWXJXHD-OAHLLOKOSA-N 1 0 288.395 2.851 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000069654229 374083670 /nfs/dbraw/zinc/08/36/70/374083670.db2.gz KQYKDJGMALWGDI-HOTGVXAUSA-N 1 0 290.382 2.915 50 0 CFAARO CCCCCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069701430 374087054 /nfs/dbraw/zinc/08/70/54/374087054.db2.gz BTJXFBMXFSVPAV-INIZCTEOSA-N 1 0 274.408 2.782 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000069814133 374099963 /nfs/dbraw/zinc/09/99/63/374099963.db2.gz LBYAHKCQUBZAAZ-XHSDSOJGSA-N 1 0 276.424 2.818 50 0 CFAARO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000069809020 374101000 /nfs/dbraw/zinc/10/10/00/374101000.db2.gz HNUMRZITIUITSL-UHFFFAOYSA-N 1 0 284.762 2.647 50 0 CFAARO CCOCCN1CC[N@H+](CC2CCCC2)C[C@H]1CC ZINC000069844738 374104405 /nfs/dbraw/zinc/10/44/05/374104405.db2.gz NWTMRJMFNMALCO-MRXNPFEDSA-N 1 0 268.445 2.609 50 0 CFAARO c1cnn(C[C@H]2CCC[N@H+]2CCc2cccs2)c1 ZINC000069878409 374106924 /nfs/dbraw/zinc/10/69/24/374106924.db2.gz BXIXGWRGPWAQOT-CYBMUJFWSA-N 1 0 261.394 2.652 50 0 CFAARO CC(C)C[C@H](C)[N@H+](C)Cc1nc(-c2ccncc2)no1 ZINC000069879173 374107171 /nfs/dbraw/zinc/10/71/71/374107171.db2.gz FOGKWRHXRVVJOJ-LBPRGKRZSA-N 1 0 274.368 2.998 50 0 CFAARO COc1cc(Cl)ccc1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070172347 374138236 /nfs/dbraw/zinc/13/82/36/374138236.db2.gz WDIKIFQRMKEWGS-WDEREUQCSA-N 1 0 296.798 2.548 50 0 CFAARO CCCC[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000070946454 374207497 /nfs/dbraw/zinc/20/74/97/374207497.db2.gz ZCXPYKDHBGNJSG-UHFFFAOYSA-N 1 0 264.369 2.756 50 0 CFAARO CCC[NH+]1CCN(c2nc(C)cc(C3CCC3)n2)CC1 ZINC000071748514 374219329 /nfs/dbraw/zinc/21/93/29/374219329.db2.gz XLMNIYIUKPWNGU-UHFFFAOYSA-N 1 0 274.412 2.585 50 0 CFAARO O[C@@H](C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000071790106 374225808 /nfs/dbraw/zinc/22/58/08/374225808.db2.gz LVEYHAKODMONLP-ZDUSSCGKSA-N 1 0 273.298 2.822 50 0 CFAARO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2cn3ccccc3n2)c1 ZINC000071875809 374228386 /nfs/dbraw/zinc/22/83/86/374228386.db2.gz PGDHPIMOZYMZKP-MRXNPFEDSA-N 1 0 295.390 2.504 50 0 CFAARO C[NH2+]CCOc1ccccc1-c1ccnc2[nH]ccc21 ZINC000072458847 374254129 /nfs/dbraw/zinc/25/41/29/374254129.db2.gz YIQIANNBQDBHJN-UHFFFAOYSA-N 1 0 267.332 2.828 50 0 CFAARO C[N@@H+](Cc1ccoc1)C[C@H]1CC[C@@H](Cc2ccncc2)O1 ZINC000072459103 374255816 /nfs/dbraw/zinc/25/58/16/374255816.db2.gz LPZYRFRQGLVXJU-DLBZAZTESA-N 1 0 286.375 2.897 50 0 CFAARO Cc1nc(CN2CCC([C@@H](C)[NH+]3CCCC3)CC2)co1 ZINC000072476232 374256489 /nfs/dbraw/zinc/25/64/89/374256489.db2.gz OUVXNWQNAOJBMO-CYBMUJFWSA-N 1 0 277.412 2.679 50 0 CFAARO Cc1nc(C)n(C[C@H]2CCC[N@H+]2[C@@H](C)c2cccnc2)n1 ZINC000072253265 374237414 /nfs/dbraw/zinc/23/74/14/374237414.db2.gz ADJDLQBEQVLNMY-BLLLJJGKSA-N 1 0 285.395 2.516 50 0 CFAARO CCOCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1Cl ZINC000072267590 374238473 /nfs/dbraw/zinc/23/84/73/374238473.db2.gz DRVBXPKAVSHYNE-NSHDSACASA-N 1 0 271.792 2.555 50 0 CFAARO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC=C(C)C ZINC000072268709 374238676 /nfs/dbraw/zinc/23/86/76/374238676.db2.gz DZVJMNFDOUSEJV-CABCVRRESA-N 1 0 264.413 2.818 50 0 CFAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnn2ccccc12 ZINC000072298382 374242015 /nfs/dbraw/zinc/24/20/15/374242015.db2.gz QQFODWYOVZSXSX-HNNXBMFYSA-N 1 0 295.390 2.718 50 0 CFAARO Cc1cc(C)cc(C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC000074067666 374406101 /nfs/dbraw/zinc/40/61/01/374406101.db2.gz KPWAFOHKYOACOA-HNNXBMFYSA-N 1 0 288.435 2.692 50 0 CFAARO COc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000074333557 374416300 /nfs/dbraw/zinc/41/63/00/374416300.db2.gz JLZKYVBRGZSKNM-NSHDSACASA-N 1 0 297.358 2.716 50 0 CFAARO Cc1ccc(F)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000075130802 374459018 /nfs/dbraw/zinc/45/90/18/374459018.db2.gz NJEGENOMMFBMHD-HOTGVXAUSA-N 1 0 290.382 2.833 50 0 CFAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@@H]1CCCO1 ZINC000075572423 374493386 /nfs/dbraw/zinc/49/33/86/374493386.db2.gz YOYVFBKNEVHVMR-HIFRSBDPSA-N 1 0 276.380 2.562 50 0 CFAARO CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857122 374509201 /nfs/dbraw/zinc/50/92/01/374509201.db2.gz JCPCCJGORYITNG-KRWDZBQOSA-N 1 0 285.391 2.944 50 0 CFAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccco2)C1 ZINC000076068840 374529068 /nfs/dbraw/zinc/52/90/68/374529068.db2.gz DSYZUKPBTYFZLS-TZMCWYRMSA-N 1 0 296.436 2.502 50 0 CFAARO C[C@H]([NH2+]CCNC(=O)c1ccccc1)C1CCCCC1 ZINC000079015316 374582276 /nfs/dbraw/zinc/58/22/76/374582276.db2.gz BOZSTEVEFPXXPI-AWEZNQCLSA-N 1 0 274.408 2.975 50 0 CFAARO Cc1cnc(C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cn1 ZINC000079014147 374582321 /nfs/dbraw/zinc/58/23/21/374582321.db2.gz YIMYFPIOJOCEGQ-GOSISDBHSA-N 1 0 296.418 2.886 50 0 CFAARO OCCCCC[N@@H+]1CCC[C@@H]1COc1ccccc1 ZINC000079100117 374594178 /nfs/dbraw/zinc/59/41/78/374594178.db2.gz KPAQVBHNGKHGHO-OAHLLOKOSA-N 1 0 263.381 2.692 50 0 CFAARO COC[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000079091029 374594557 /nfs/dbraw/zinc/59/45/57/374594557.db2.gz PDIKPKOZZQFSRM-LBPRGKRZSA-N 1 0 254.761 2.593 50 0 CFAARO CC[C@H](CCO)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000084733271 374789796 /nfs/dbraw/zinc/78/97/96/374789796.db2.gz NPFVFQWBXAZBBC-LLVKDONJSA-N 1 0 270.442 2.939 50 0 CFAARO CCn1cc(C[NH2+]C[C@@H]2C[C@]23CCc2ccccc23)cn1 ZINC000088745146 374860886 /nfs/dbraw/zinc/86/08/86/374860886.db2.gz VVMCGBRUSKBLCD-FUHWJXTLSA-N 1 0 281.403 2.897 50 0 CFAARO OCc1ccc(C[NH2+]C[C@H]2C[C@@]23CCc2ccccc23)o1 ZINC000088745152 374862024 /nfs/dbraw/zinc/86/20/24/374862024.db2.gz GJIMEHIKKVAMKT-KDOFPFPSSA-N 1 0 283.371 2.766 50 0 CFAARO CC1(C)C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)C(C)(C)O1 ZINC000089917901 374969374 /nfs/dbraw/zinc/96/93/74/374969374.db2.gz WZOMODFBNDLTFR-MNOVXSKESA-N 1 0 294.361 2.559 50 0 CFAARO C[C@@H](C(=O)Nc1cnc(C2CC2)nc1)[NH+]1CCCCCC1 ZINC000089598230 374928288 /nfs/dbraw/zinc/92/82/88/374928288.db2.gz PSJZTYZCKPTKCT-LBPRGKRZSA-N 1 0 288.395 2.557 50 0 CFAARO CC(C)N1CC[C@@H]([NH2+][C@@H]2CSCc3ccccc32)C1=O ZINC000089729224 374943162 /nfs/dbraw/zinc/94/31/62/374943162.db2.gz ULPQQAKRACYDCT-HUUCEWRRSA-N 1 0 290.432 2.573 50 0 CFAARO c1nc(-c2cccc(C[NH2+]C[C@@H]3CC=CCC3)c2)n[nH]1 ZINC000089780863 374949327 /nfs/dbraw/zinc/94/93/27/374949327.db2.gz OQQKWVXVJLBAIT-CYBMUJFWSA-N 1 0 268.364 2.918 50 0 CFAARO O=C(OC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccn1 ZINC000089834890 374959796 /nfs/dbraw/zinc/95/97/96/374959796.db2.gz MTTRBUKCMMNGSD-MRXNPFEDSA-N 1 0 296.370 2.761 50 0 CFAARO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1oc(=O)oc1C ZINC000089943659 374974684 /nfs/dbraw/zinc/97/46/84/374974684.db2.gz YFMGIKOONDQLQV-AWEZNQCLSA-N 1 0 275.348 2.994 50 0 CFAARO c1ccc(C[C@@H]2COCc3ccccc3C[NH2+]2)cc1 ZINC000090394335 375009948 /nfs/dbraw/zinc/00/99/48/375009948.db2.gz FIDDBFSBYXUIQD-QGZVFWFLSA-N 1 0 253.345 2.918 50 0 CFAARO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000090411742 375014256 /nfs/dbraw/zinc/01/42/56/375014256.db2.gz HUUZELUZOSVQSX-RYUDHWBXSA-N 1 0 281.425 2.511 50 0 CFAARO C[C@H](NCC[N@H+](C)C1CCCCC1)c1cccnc1 ZINC000092741249 375145740 /nfs/dbraw/zinc/14/57/40/375145740.db2.gz AYDBGLILBYPDJA-AWEZNQCLSA-N 1 0 261.413 2.997 50 0 CFAARO COCc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000092967492 375171022 /nfs/dbraw/zinc/17/10/22/375171022.db2.gz AJSDRKFONZKWNQ-KRWDZBQOSA-N 1 0 285.391 2.867 50 0 CFAARO C[C@H](CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000093984228 375334036 /nfs/dbraw/zinc/33/40/36/375334036.db2.gz LOWZDVJSAOBSGV-AGIUHOORSA-N 1 0 295.452 2.634 50 0 CFAARO Cc1ccc(CN(C(=O)CC2([NH3+])CCC2)C2CC2)cc1 ZINC000094294525 375349457 /nfs/dbraw/zinc/34/94/57/375349457.db2.gz UBYTTXHUOHXSDX-UHFFFAOYSA-N 1 0 272.392 2.758 50 0 CFAARO [NH3+][C@@H]1CCCCC[C@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000094754049 375376451 /nfs/dbraw/zinc/37/64/51/375376451.db2.gz IZWBBRWUXJWPBI-HUUCEWRRSA-N 1 0 264.413 2.543 50 0 CFAARO CCC[C@@H]1CN(Cc2ccc(OC)c(O)c2)C[C@H]1[NH+](C)C ZINC000095497952 375461374 /nfs/dbraw/zinc/46/13/74/375461374.db2.gz XPCYNOYZNWGKOQ-HUUCEWRRSA-N 1 0 292.423 2.563 50 0 CFAARO Cc1n[nH]cc1C[N@H+](C)C[C@@H]1CCOc2ccccc2C1 ZINC000095522730 375461762 /nfs/dbraw/zinc/46/17/62/375461762.db2.gz QYPLVBXOVZSWDT-CQSZACIVSA-N 1 0 285.391 2.791 50 0 CFAARO Cc1cc(C)nc(SCCC2CC[NH2+]CC2)n1 ZINC000095908643 375462803 /nfs/dbraw/zinc/46/28/03/375462803.db2.gz CUJVUFWZVRCTDI-UHFFFAOYSA-N 1 0 251.399 2.575 50 0 CFAARO c1ccc(-c2nnc(SC[C@@H]3CCCC[NH2+]3)o2)cc1 ZINC000095908621 375463323 /nfs/dbraw/zinc/46/33/23/375463323.db2.gz WKWAXMQQPSYLBI-LBPRGKRZSA-N 1 0 275.377 2.971 50 0 CFAARO c1ccc(-c2nnc(SC[C@H]3CCCC[NH2+]3)o2)cc1 ZINC000095908622 375463330 /nfs/dbraw/zinc/46/33/30/375463330.db2.gz WKWAXMQQPSYLBI-GFCCVEGCSA-N 1 0 275.377 2.971 50 0 CFAARO CSCc1noc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000096166641 375473294 /nfs/dbraw/zinc/47/32/94/375473294.db2.gz PIYHOJFCCLJFKU-JTQLQIEISA-N 1 0 255.387 2.520 50 0 CFAARO COc1cccc2cc([C@H](C)[NH2+]C[C@H](C)[S@](C)=O)oc21 ZINC000095988144 375464596 /nfs/dbraw/zinc/46/45/96/375464596.db2.gz RIYGIZFKDOTZGR-SULUTDIPSA-N 1 0 295.404 2.859 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)C1 ZINC000095971818 375465018 /nfs/dbraw/zinc/46/50/18/375465018.db2.gz XFDIAOWXTJDLIS-ZDUSSCGKSA-N 1 0 298.411 2.687 50 0 CFAARO C[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@H]1CCOC1 ZINC000095988362 375465986 /nfs/dbraw/zinc/46/59/86/375465986.db2.gz HJWKJFRDUPEVBO-ZJUUUORDSA-N 1 0 274.286 2.615 50 0 CFAARO CCOCC[N@H+](C)Cc1cnc2ccsc2c1 ZINC000095999379 375466864 /nfs/dbraw/zinc/46/68/64/375466864.db2.gz XFNQFIDWRUQPLX-UHFFFAOYSA-N 1 0 250.367 2.765 50 0 CFAARO Fc1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000095080924 375408618 /nfs/dbraw/zinc/40/86/18/375408618.db2.gz JFAWCTZISVOPRU-UHFFFAOYSA-N 1 0 271.339 2.543 50 0 CFAARO CCC1CCC(CNC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000095351220 375417633 /nfs/dbraw/zinc/41/76/33/375417633.db2.gz OHPXECZGUNJMPK-UYSNPLJNSA-N 1 0 295.471 2.796 50 0 CFAARO CCc1[nH+]c(N)nc(N[C@H](CC)c2nc(C)c[nH]2)c1C ZINC000095361007 375419435 /nfs/dbraw/zinc/41/94/35/375419435.db2.gz MFSRIPVBQFZMFD-LLVKDONJSA-N 1 0 274.372 2.524 50 0 CFAARO CCC[NH+]1CCC(Nc2ncnc3nc(C)cc(C)c32)CC1 ZINC000095361114 375420140 /nfs/dbraw/zinc/42/01/40/375420140.db2.gz YFVHGKMRUOEUTI-UHFFFAOYSA-N 1 0 299.422 2.928 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cn1 ZINC000095365751 375421585 /nfs/dbraw/zinc/42/15/85/375421585.db2.gz WEVQJBMCKVSMOF-AWEZNQCLSA-N 1 0 289.423 2.688 50 0 CFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccncc1)C2 ZINC000095374111 375423054 /nfs/dbraw/zinc/42/30/54/375423054.db2.gz OJRPJYDDUOUIHX-ZWKOTPCHSA-N 1 0 285.435 2.944 50 0 CFAARO Clc1ccc([C@@H]2CN(CC[NH+]3CCCC3)CCO2)cc1 ZINC000095369462 375423701 /nfs/dbraw/zinc/42/37/01/375423701.db2.gz HTBFWCSAADXXGZ-INIZCTEOSA-N 1 0 294.826 2.809 50 0 CFAARO Cc1ccc([C@H](C)CC[N@@H+]2CCc3nc[nH]c3C2)o1 ZINC000095387209 375429154 /nfs/dbraw/zinc/42/91/54/375429154.db2.gz CTNLLRREMKGLJS-LLVKDONJSA-N 1 0 259.353 2.863 50 0 CFAARO OCc1ccc(C[NH2+]CCNc2ccc3ccccc3n2)o1 ZINC000095415552 375437468 /nfs/dbraw/zinc/43/74/68/375437468.db2.gz FBOMBKSUTDYJQC-UHFFFAOYSA-N 1 0 297.358 2.522 50 0 CFAARO COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCCOC2)cc1OC ZINC000095422083 375440343 /nfs/dbraw/zinc/44/03/43/375440343.db2.gz UZLZZMCBDAZXIX-MNOVXSKESA-N 1 0 283.343 2.673 50 0 CFAARO C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(-n2ccnc2)cc1 ZINC000095420552 375441231 /nfs/dbraw/zinc/44/12/31/375441231.db2.gz UQYILAFGXZGSKJ-KBXCAEBGSA-N 1 0 298.434 2.863 50 0 CFAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000095422860 375441855 /nfs/dbraw/zinc/44/18/55/375441855.db2.gz KOMFJWQWZIWNMK-ZYHUDNBSSA-N 1 0 296.798 2.620 50 0 CFAARO CCS[C@@H]1CC[C@]1(O)C[NH2+]C[C@H]1CC=CCC1 ZINC000095434079 375446942 /nfs/dbraw/zinc/44/69/42/375446942.db2.gz SGBFMTMLWVLWFE-MJBXVCDLSA-N 1 0 255.427 2.579 50 0 CFAARO c1ccc2[nH]c(N3CC[NH+](CC4CCCC4)CC3)nc2c1 ZINC000095454664 375454804 /nfs/dbraw/zinc/45/48/04/375454804.db2.gz KIEVKGANKORJGZ-UHFFFAOYSA-N 1 0 284.407 2.875 50 0 CFAARO Cc1cc(C)n2ncc(C[N@@H+](C)C3CCSCC3)c2n1 ZINC000097217341 375540742 /nfs/dbraw/zinc/54/07/42/375540742.db2.gz WLIITBIPYHIDGO-UHFFFAOYSA-N 1 0 290.436 2.674 50 0 CFAARO CC/C=C(\C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000096443939 375487592 /nfs/dbraw/zinc/48/75/92/375487592.db2.gz YCGMPHXTWRYMTJ-UOTLJSKWSA-N 1 0 264.413 2.816 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[S@](=O)C(C)(C)C ZINC000096477850 375488305 /nfs/dbraw/zinc/48/83/05/375488305.db2.gz FXUMFKAAZVIKCR-HXPMCKFVSA-N 1 0 285.428 2.894 50 0 CFAARO CC[C@H]([NH3+])C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000097019102 375496945 /nfs/dbraw/zinc/49/69/45/375496945.db2.gz GFIWZFYYLRNCKP-AWEZNQCLSA-N 1 0 260.381 2.827 50 0 CFAARO CCc1c(C)[nH+]c2ccccc2c1N1CCC(C(N)=O)CC1 ZINC000097046783 375501262 /nfs/dbraw/zinc/50/12/62/375501262.db2.gz HFCOZSRPLMAHME-UHFFFAOYSA-N 1 0 297.402 2.807 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)no1 ZINC000097048970 375502771 /nfs/dbraw/zinc/50/27/71/375502771.db2.gz GNDKAQYCCIUCNK-CHWSQXEVSA-N 1 0 287.363 2.703 50 0 CFAARO C[C@@H](CCn1cccn1)[NH2+][C@H]1CCc2c1cccc2O ZINC000097049280 375504564 /nfs/dbraw/zinc/50/45/64/375504564.db2.gz PMONEYBJLCDRKL-WFASDCNBSA-N 1 0 271.364 2.644 50 0 CFAARO C[N@H+](CCc1ccncc1)Cc1nc2c(cccc2F)[nH]1 ZINC000097051084 375504614 /nfs/dbraw/zinc/50/46/14/375504614.db2.gz RMQOLFWAYXLSFT-UHFFFAOYSA-N 1 0 284.338 2.772 50 0 CFAARO Cn1cc(NC2CC[NH+](Cc3cccc(F)c3)CC2)cn1 ZINC000097081018 375509075 /nfs/dbraw/zinc/50/90/75/375509075.db2.gz GNYYKZSSQRRCRX-UHFFFAOYSA-N 1 0 288.370 2.636 50 0 CFAARO CNC(=O)C1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000097084268 375510593 /nfs/dbraw/zinc/51/05/93/375510593.db2.gz MIOVOPUGWNHGFP-CYBMUJFWSA-N 1 0 292.398 2.605 50 0 CFAARO C[C@@H](C[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000097103858 375518334 /nfs/dbraw/zinc/51/83/34/375518334.db2.gz LMFVQEMOCRSBKF-NSHDSACASA-N 1 0 253.773 2.900 50 0 CFAARO CCn1cnnc1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000097108511 375521371 /nfs/dbraw/zinc/52/13/71/375521371.db2.gz INTMBEMFKRCDGY-UHFFFAOYSA-N 1 0 290.798 2.987 50 0 CFAARO c1cc2c(cccc2C[N@@H+]2CCCC3(C2)OCCO3)[nH]1 ZINC000097139041 375527321 /nfs/dbraw/zinc/52/73/21/375527321.db2.gz OICHCHCYOXAPLT-UHFFFAOYSA-N 1 0 272.348 2.507 50 0 CFAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000097819550 375585890 /nfs/dbraw/zinc/58/58/90/375585890.db2.gz LHPHVSXULJAEBM-CVEARBPZSA-N 1 0 272.392 2.834 50 0 CFAARO CN1C[C@@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)CCC1=O ZINC000098020502 375591934 /nfs/dbraw/zinc/59/19/34/375591934.db2.gz MAWWLGVOGWYEHA-WCQYABFASA-N 1 0 294.395 2.573 50 0 CFAARO CCNc1ccnc(-c2ccc(C[NH+](C)C)cc2)n1 ZINC000097437027 375559965 /nfs/dbraw/zinc/55/99/65/375559965.db2.gz KAILSYYQWGNMEK-UHFFFAOYSA-N 1 0 256.353 2.637 50 0 CFAARO CC(C)CC[N@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000097493241 375566779 /nfs/dbraw/zinc/56/67/79/375566779.db2.gz DEAWLUFTJRZCFD-CQSZACIVSA-N 1 0 254.418 2.611 50 0 CFAARO COc1c(C)cc(NC(=O)N2CCCC[C@H]2C[NH3+])cc1C ZINC000097572329 375567980 /nfs/dbraw/zinc/56/79/80/375567980.db2.gz RDDWYVBRDVOXIO-AWEZNQCLSA-N 1 0 291.395 2.657 50 0 CFAARO CSc1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)cc1 ZINC000097553145 375568926 /nfs/dbraw/zinc/56/89/26/375568926.db2.gz MMFLLIOPJJSDAV-UHFFFAOYSA-N 1 0 288.420 2.906 50 0 CFAARO COc1ccc(/C=C/C[NH+]2CCC(c3ncon3)CC2)cc1 ZINC000097602186 375571126 /nfs/dbraw/zinc/57/11/26/375571126.db2.gz AWCJYVLDZYHMJC-NSCUHMNNSA-N 1 0 299.374 2.971 50 0 CFAARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000106865460 375803459 /nfs/dbraw/zinc/80/34/59/375803459.db2.gz BCLLHURIICTNQZ-WMLDXEAASA-N 1 0 285.391 2.608 50 0 CFAARO COC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccccc2C)C1 ZINC000108477625 375816841 /nfs/dbraw/zinc/81/68/41/375816841.db2.gz WRLCGEFUOINNKD-ZBFHGGJFSA-N 1 0 291.391 2.568 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130203876 377521474 /nfs/dbraw/zinc/52/14/74/377521474.db2.gz ZTKWALOMKQELJY-SRVKXCTJSA-N 1 0 292.345 2.708 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)c2cc3cc(C)ccc3nc2C)C1 ZINC000133917205 377967456 /nfs/dbraw/zinc/96/74/56/377967456.db2.gz AOQCVYUZVWBDGW-HNNXBMFYSA-N 1 0 297.402 2.676 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000135212519 378099051 /nfs/dbraw/zinc/09/90/51/378099051.db2.gz GQJTYFBGAGTJOK-LBPRGKRZSA-N 1 0 280.799 2.720 50 0 CFAARO c1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)oc1-c1ccccc1 ZINC000153574648 378498570 /nfs/dbraw/zinc/49/85/70/378498570.db2.gz SZYXUDXOPHJKAG-KRWDZBQOSA-N 1 0 284.359 2.954 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000157790343 378659460 /nfs/dbraw/zinc/65/94/60/378659460.db2.gz VEBHBCLKROWXDX-JTQLQIEISA-N 1 0 278.739 2.650 50 0 CFAARO Cc1cccc(NCc2ccc(S(C)(=O)=O)c(C)c2)n1 ZINC000157989775 378662548 /nfs/dbraw/zinc/66/25/48/378662548.db2.gz NHIHKXRYSKGJJS-UHFFFAOYSA-N 1 0 290.388 2.714 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)/C=C(/C)c2ccc(F)cc2)C1 ZINC000159095843 378685961 /nfs/dbraw/zinc/68/59/61/378685961.db2.gz VSDBKUJTSXBLAK-QLKUMGTLSA-N 1 0 290.382 2.687 50 0 CFAARO C[C@H](CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1 ZINC000278499333 194013684 /nfs/dbraw/zinc/01/36/84/194013684.db2.gz NGHNZZFELNBHNY-GDBMZVCRSA-N 1 0 295.448 2.689 50 0 CFAARO NC(=O)CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000048343295 412901837 /nfs/dbraw/zinc/90/18/37/412901837.db2.gz GHHQACWNOKAFCK-UHFFFAOYSA-N 1 0 286.297 2.545 50 0 CFAARO C(O[C@H]1CN(C2CC[NH2+]CC2)C12CCCCC2)C1CC1 ZINC000169676567 379107275 /nfs/dbraw/zinc/10/72/75/379107275.db2.gz UFYTXEBQDUHVOY-INIZCTEOSA-N 1 0 278.440 2.552 50 0 CFAARO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000170605298 379126222 /nfs/dbraw/zinc/12/62/22/379126222.db2.gz BKIZVGWQZKDLIE-HNNXBMFYSA-N 1 0 276.380 2.646 50 0 CFAARO C[C@@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000170617588 379130984 /nfs/dbraw/zinc/13/09/84/379130984.db2.gz XWIBCLLRUOHOSS-CXAGYDPISA-N 1 0 251.395 2.526 50 0 CFAARO CC(C)(C[NH2+]C1c2ccccc2-c2ccccc21)C(N)=O ZINC000170074729 379115392 /nfs/dbraw/zinc/11/53/92/379115392.db2.gz PWESBSNRDWVKOK-UHFFFAOYSA-N 1 0 280.371 2.858 50 0 CFAARO CC(C)c1ccc(C2(O)CCC([NH2+]C[C@H](C)O)CC2)cc1 ZINC000170073300 379115886 /nfs/dbraw/zinc/11/58/86/379115886.db2.gz IWZAXRLCNBWIJF-NNGSBXSVSA-N 1 0 291.435 2.911 50 0 CFAARO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)nc1 ZINC000335849709 379990786 /nfs/dbraw/zinc/99/07/86/379990786.db2.gz OUZCXDXBGQQGQH-HOCLYGCPSA-N 1 0 270.380 2.670 50 0 CFAARO [NH3+][C@H]1CC[C@H](C(=O)NCCc2csc3ccccc23)C1 ZINC000178429497 380451124 /nfs/dbraw/zinc/45/11/24/380451124.db2.gz LMIDOZHLOQRPTQ-AAEUAGOBSA-N 1 0 288.416 2.687 50 0 CFAARO Cc1ccccc1C(C)(C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000179218085 380520270 /nfs/dbraw/zinc/52/02/70/380520270.db2.gz KPKBBEBDEUAOPX-GJZGRUSLSA-N 1 0 288.435 2.858 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(CCO)CCOC1)[C@H](C)C2 ZINC000180776511 380697600 /nfs/dbraw/zinc/69/76/00/380697600.db2.gz VZBQTWKQEBDVAN-OLMNPRSZSA-N 1 0 289.419 2.607 50 0 CFAARO CC(C)[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)[nH]1 ZINC000049077664 412933327 /nfs/dbraw/zinc/93/33/27/412933327.db2.gz OYEFINTWAXMMBW-AWEZNQCLSA-N 1 0 271.364 2.544 50 0 CFAARO c1[nH]nc2cc(CC[NH2+]Cc3ccccc3)ccc12 ZINC000341273573 380889476 /nfs/dbraw/zinc/88/94/76/380889476.db2.gz QEFVVHSLARUNBI-UHFFFAOYSA-N 1 0 251.333 2.895 50 0 CFAARO Cc1c[nH+]c(C)n1CC1CCN(C(=O)c2ccco2)CC1 ZINC000409420991 380959503 /nfs/dbraw/zinc/95/95/03/380959503.db2.gz SJCQAMXAWUUCBJ-UHFFFAOYSA-N 1 0 287.363 2.645 50 0 CFAARO [NH2+]=C1N[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)N1 ZINC000000154899 169556780 /nfs/dbraw/zinc/55/67/80/169556780.db2.gz JDIPIUIHXUDIOV-KGLIPLIRSA-N 1 0 299.761 2.551 50 0 CFAARO C=CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000408525925 380941930 /nfs/dbraw/zinc/94/19/30/380941930.db2.gz QDCMTSNREPSPKI-DLBZAZTESA-N 1 0 284.403 2.686 50 0 CFAARO C=CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000408525927 380942077 /nfs/dbraw/zinc/94/20/77/380942077.db2.gz QDCMTSNREPSPKI-IRXDYDNUSA-N 1 0 284.403 2.686 50 0 CFAARO Cc1nc(C)c(COC(=O)C[C@@H](C[NH3+])CC(C)C)s1 ZINC000408525586 380942913 /nfs/dbraw/zinc/94/29/13/380942913.db2.gz FXMDQIVTSVMUGI-LBPRGKRZSA-N 1 0 284.425 2.814 50 0 CFAARO Cc1ccc(Cl)cc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289685708 381101137 /nfs/dbraw/zinc/10/11/37/381101137.db2.gz DSMICDNBFSSWFE-MRXNPFEDSA-N 1 0 292.810 2.864 50 0 CFAARO O=C(CC[NH+]1CCCC1)Nc1ccccc1Cl ZINC000000176520 169564881 /nfs/dbraw/zinc/56/48/81/169564881.db2.gz ZBPLZZAHSCJHHX-UHFFFAOYSA-N 1 0 252.745 2.764 50 0 CFAARO O=C1CCCN1CCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000129188606 296318388 /nfs/dbraw/zinc/31/83/88/296318388.db2.gz YNDCTXDGZJJOFZ-NEPJUHHUSA-N 1 0 292.345 2.710 50 0 CFAARO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cnc(-c2ccco2)s1 ZINC000290222571 381348070 /nfs/dbraw/zinc/34/80/70/381348070.db2.gz RYNAWKIJAWBHLG-RYUDHWBXSA-N 1 0 292.404 2.996 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 ZINC000049487895 412948345 /nfs/dbraw/zinc/94/83/45/412948345.db2.gz IQDZKPUDKYCLOI-OFAQMXQXSA-N 1 0 284.359 2.712 50 0 CFAARO [NH3+]CCN1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000299755909 382041602 /nfs/dbraw/zinc/04/16/02/382041602.db2.gz AIZCQHTWPICSDA-KRWDZBQOSA-N 1 0 286.350 2.720 50 0 CFAARO Cc1ncc(Cc2ccccc2)c(C2CC[NH2+]CC2)n1 ZINC000299788513 382047818 /nfs/dbraw/zinc/04/78/18/382047818.db2.gz QFJJUCUVHBWLLL-UHFFFAOYSA-N 1 0 267.376 2.843 50 0 CFAARO CC(C)(C)SCC[NH2+][C@@H](CO)c1ccsc1 ZINC000309525708 382488356 /nfs/dbraw/zinc/48/83/56/382488356.db2.gz BCQYCXROXVMQMK-NSHDSACASA-N 1 0 259.440 2.903 50 0 CFAARO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccn(C)c(=O)c2)c1 ZINC000051592376 184566201 /nfs/dbraw/zinc/56/62/01/184566201.db2.gz DUSBYQASVJHULM-AWEZNQCLSA-N 1 0 270.376 2.853 50 0 CFAARO OCc1ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)o1 ZINC000295054403 382568562 /nfs/dbraw/zinc/56/85/62/382568562.db2.gz FZSYSEGZMOUTNZ-JTQLQIEISA-N 1 0 259.296 2.687 50 0 CFAARO C[N@H+](Cc1cccc2ccccc21)C1(CO)CCOCC1 ZINC000191028741 382688812 /nfs/dbraw/zinc/68/88/12/382688812.db2.gz VJROVTABLNYORD-UHFFFAOYSA-N 1 0 285.387 2.813 50 0 CFAARO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1F ZINC000092757350 184626162 /nfs/dbraw/zinc/62/61/62/184626162.db2.gz UCPIDVGBQMJVFA-CQSZACIVSA-N 1 0 278.371 2.504 50 0 CFAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000192390832 382708145 /nfs/dbraw/zinc/70/81/45/382708145.db2.gz ZJROJJVTXSZWPC-VNHYZAJKSA-N 1 0 250.430 2.885 50 0 CFAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000192390827 382708190 /nfs/dbraw/zinc/70/81/90/382708190.db2.gz ZJROJJVTXSZWPC-IPYPFGDCSA-N 1 0 250.430 2.885 50 0 CFAARO C1=CO[C@H](C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)CC1 ZINC000194047503 382733668 /nfs/dbraw/zinc/73/36/68/382733668.db2.gz DUNZPVYKNSQESN-DLBZAZTESA-N 1 0 295.423 2.729 50 0 CFAARO Cc1n[nH]cc1CN1CCN([C@H](C)c2ccsc2)CC1 ZINC000195565070 382769663 /nfs/dbraw/zinc/76/96/63/382769663.db2.gz SJBBYRSISCASII-CYBMUJFWSA-N 1 0 290.436 2.658 50 0 CFAARO Cc1ccc2ncc(CNc3nc(C4CC4)no3)n2c1 ZINC000195552231 382769790 /nfs/dbraw/zinc/76/97/90/382769790.db2.gz KJIKZZZBULHJAB-UHFFFAOYSA-N 1 0 269.308 2.515 50 0 CFAARO c1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC2CCCC2)c1 ZINC000215260130 382778069 /nfs/dbraw/zinc/77/80/69/382778069.db2.gz HOECEAQWXBKLLJ-IYBDPMFKSA-N 1 0 286.419 2.659 50 0 CFAARO CCc1ccc(C[N@@H+]2CCCC[C@H]2CCCO)o1 ZINC000215211568 382778164 /nfs/dbraw/zinc/77/81/64/382778164.db2.gz JXYXLWRBKDHFSV-ZDUSSCGKSA-N 1 0 251.370 2.969 50 0 CFAARO Cc1cc(C[N@@H+]2CCCC[C@@H]2CCn2cccn2)on1 ZINC000215490016 382778843 /nfs/dbraw/zinc/77/88/43/382778843.db2.gz IEHUWKAQKZWKAS-CQSZACIVSA-N 1 0 274.368 2.624 50 0 CFAARO CS[C@@H](C)CC[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000215470314 382779051 /nfs/dbraw/zinc/77/90/51/382779051.db2.gz UMMYNLQNSMSOKM-HNNXBMFYSA-N 1 0 293.480 2.731 50 0 CFAARO CSc1cccc(CN(C)C(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000215969834 382781346 /nfs/dbraw/zinc/78/13/46/382781346.db2.gz SMCFIORISQVTGZ-KGLIPLIRSA-N 1 0 292.448 2.884 50 0 CFAARO C[N@H+](CCn1cccn1)Cc1ccc([C@H]2CCCCO2)o1 ZINC000216163433 382781966 /nfs/dbraw/zinc/78/19/66/382781966.db2.gz OHBFUFBIWTUTTB-OAHLLOKOSA-N 1 0 289.379 2.850 50 0 CFAARO COc1ccc(F)c(F)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000216338166 382783122 /nfs/dbraw/zinc/78/31/22/382783122.db2.gz PYAUGIINKAYUJJ-LBPRGKRZSA-N 1 0 298.377 2.890 50 0 CFAARO O=C(NC[C@H]1CCCCC[NH2+]1)C1(c2ccccc2F)CC1 ZINC000219107211 382792462 /nfs/dbraw/zinc/79/24/62/382792462.db2.gz AKWFFDCZEJPLAB-CYBMUJFWSA-N 1 0 290.382 2.506 50 0 CFAARO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2nccs2)C1 ZINC000194876826 382756836 /nfs/dbraw/zinc/75/68/36/382756836.db2.gz OOAVGDYJWLQDQZ-CQSZACIVSA-N 1 0 282.409 2.554 50 0 CFAARO COc1cccc2c1CCC[C@H]2[NH2+][C@@H](CCO)CSC ZINC000194899122 382757369 /nfs/dbraw/zinc/75/73/69/382757369.db2.gz SFGJFOLMASOFCV-SWLSCSKDSA-N 1 0 295.448 2.776 50 0 CFAARO COc1cccc2c1CCC[C@@H]2[NH2+][C@H](CCO)CSC ZINC000194899136 382757530 /nfs/dbraw/zinc/75/75/30/382757530.db2.gz SFGJFOLMASOFCV-DOMZBBRYSA-N 1 0 295.448 2.776 50 0 CFAARO CCCn1c(C)cnc1[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000575316601 382758303 /nfs/dbraw/zinc/75/83/03/382758303.db2.gz QLLJLZXLRZVZMD-MRXNPFEDSA-N 1 0 284.407 2.986 50 0 CFAARO CCO[C@@H](C)C[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000220301051 382796062 /nfs/dbraw/zinc/79/60/62/382796062.db2.gz DPEFLRSZANNBAW-NSHDSACASA-N 1 0 263.341 2.527 50 0 CFAARO COc1ccc(/C=C(\C)C[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000221722302 382799229 /nfs/dbraw/zinc/79/92/29/382799229.db2.gz GOAQAOISMGPUOK-ISBHARSQSA-N 1 0 298.390 2.815 50 0 CFAARO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000221907318 382799834 /nfs/dbraw/zinc/79/98/34/382799834.db2.gz REXJQLRIFMVZCE-NILFDRSVSA-N 1 0 294.370 2.700 50 0 CFAARO O[C@H](C[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000222198278 382801489 /nfs/dbraw/zinc/80/14/89/382801489.db2.gz JNOIPYNYOJXYSP-DOTOQJQBSA-N 1 0 297.402 2.549 50 0 CFAARO C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000225468923 382816793 /nfs/dbraw/zinc/81/67/93/382816793.db2.gz IJBQZKABNJKJFI-DZKIICNBSA-N 1 0 296.455 2.700 50 0 CFAARO FCCCCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000225468611 382816905 /nfs/dbraw/zinc/81/69/05/382816905.db2.gz PXQTWSDTKKLTHZ-UHFFFAOYSA-N 1 0 265.376 2.734 50 0 CFAARO COC[C@H](O)C[NH2+][C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000225549164 382817986 /nfs/dbraw/zinc/81/79/86/382817986.db2.gz FVSKOTFASYYJJT-JOYOIKCWSA-N 1 0 283.755 2.744 50 0 CFAARO CC(C)(C)c1ccc(CC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000225637204 382819444 /nfs/dbraw/zinc/81/94/44/382819444.db2.gz QQWZLFKLVOFRJV-OAHLLOKOSA-N 1 0 288.435 2.724 50 0 CFAARO CC[N@H+](CCC(=O)N(C)OC)Cc1ccccc1Cl ZINC000225675749 382820336 /nfs/dbraw/zinc/82/03/36/382820336.db2.gz XNNFBMNVGWZCQW-UHFFFAOYSA-N 1 0 284.787 2.572 50 0 CFAARO COCn1ncc(C)c1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000225836434 382822712 /nfs/dbraw/zinc/82/27/12/382822712.db2.gz VMNHHLOAJKXORK-UHFFFAOYSA-N 1 0 298.390 2.609 50 0 CFAARO COCc1cccc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)c1 ZINC000225843788 382822725 /nfs/dbraw/zinc/82/27/25/382822725.db2.gz ZGRSCPDOJLDMJB-YOEHRIQHSA-N 1 0 277.408 2.816 50 0 CFAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)o2)C1 ZINC000229857492 382853305 /nfs/dbraw/zinc/85/33/05/382853305.db2.gz RVVBSQPSERVZQA-DFHBCGBQSA-N 1 0 269.410 2.757 50 0 CFAARO C[C@H](CC[N@@H+](C)[C@H](C)C[S@@](C)=O)c1ccccc1 ZINC000230200843 382857211 /nfs/dbraw/zinc/85/72/11/382857211.db2.gz FRANEKMOHVLMRS-HBUWYVDXSA-N 1 0 267.438 2.879 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000230210427 382857485 /nfs/dbraw/zinc/85/74/85/382857485.db2.gz OYRYNFXCKLFHQG-QKPAOTATSA-N 1 0 295.471 2.985 50 0 CFAARO CCOC(=O)c1ccoc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000230251087 382858002 /nfs/dbraw/zinc/85/80/02/382858002.db2.gz LDUSDMJRRASQDF-ZIAGYGMSSA-N 1 0 293.363 2.600 50 0 CFAARO CN(c1ccccc1)c1ccccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000237064586 382948520 /nfs/dbraw/zinc/94/85/20/382948520.db2.gz BBFPAEVECOBUAK-AWEZNQCLSA-N 1 0 295.386 2.628 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000237098664 382949766 /nfs/dbraw/zinc/94/97/66/382949766.db2.gz QBUWHWSGWMBYCW-WCQYABFASA-N 1 0 284.762 2.565 50 0 CFAARO COc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1-c1ccccc1 ZINC000237122024 382950931 /nfs/dbraw/zinc/95/09/31/382950931.db2.gz SCPRWXYKPYFFMG-OAHLLOKOSA-N 1 0 296.370 2.535 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000237309770 382956093 /nfs/dbraw/zinc/95/60/93/382956093.db2.gz AYSARSQOGAYCLZ-LLVKDONJSA-N 1 0 298.789 2.859 50 0 CFAARO Cc1ccc2cccc(C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)c2n1 ZINC000237355300 382957493 /nfs/dbraw/zinc/95/74/93/382957493.db2.gz IDFOIYALIHALJY-HIFRSBDPSA-N 1 0 297.402 2.743 50 0 CFAARO CSCc1cc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)ccc1F ZINC000237381101 382958209 /nfs/dbraw/zinc/95/82/09/382958209.db2.gz MJDIMJHHRRXYED-MFKMUULPSA-N 1 0 296.411 2.641 50 0 CFAARO C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000237369894 382958215 /nfs/dbraw/zinc/95/82/15/382958215.db2.gz JCWUWWSTHPFDCC-UMVBOHGHSA-N 1 0 260.381 2.724 50 0 CFAARO CSCc1cc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)ccc1F ZINC000237380972 382958537 /nfs/dbraw/zinc/95/85/37/382958537.db2.gz MJDIMJHHRRXYED-ZWNOBZJWSA-N 1 0 296.411 2.641 50 0 CFAARO C/C(=C/C(=O)N1CC[C@H]([NH3+])C[C@@H]1C)c1ccccc1F ZINC000237511679 382963078 /nfs/dbraw/zinc/96/30/78/382963078.db2.gz PTBAFOLGFVCHDM-VMYYRQAJSA-N 1 0 276.355 2.567 50 0 CFAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000237958647 382974840 /nfs/dbraw/zinc/97/48/40/382974840.db2.gz KWNLPRVGIXKUKS-DCAQKATOSA-N 1 0 296.773 2.532 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N(Cc2ccc(F)cc2)CC2CC2)C1 ZINC000237951791 382975395 /nfs/dbraw/zinc/97/53/95/382975395.db2.gz IRMSTHICMWGCRA-GOEBONIOSA-N 1 0 290.382 2.692 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]CCCOC2CCOCC2)C[C@H]1C ZINC000240454666 382982855 /nfs/dbraw/zinc/98/28/55/382982855.db2.gz FXYPGOHNCSWAJC-KFWWJZLASA-N 1 0 269.429 2.986 50 0 CFAARO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C)C2)C1 ZINC000241965527 382984702 /nfs/dbraw/zinc/98/47/02/382984702.db2.gz UTMUREGGWMXHBR-SOUVJXGZSA-N 1 0 266.429 2.803 50 0 CFAARO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)c1ccc(F)cc1 ZINC000242106206 382984905 /nfs/dbraw/zinc/98/49/05/382984905.db2.gz WHVVKDCXCLTFGU-YOEHRIQHSA-N 1 0 291.366 2.899 50 0 CFAARO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)C2)C1 ZINC000241965524 382984934 /nfs/dbraw/zinc/98/49/34/382984934.db2.gz UTMUREGGWMXHBR-QLFBSQMISA-N 1 0 266.429 2.803 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2cc(F)ccc2[nH]1 ZINC000243919562 382988432 /nfs/dbraw/zinc/98/84/32/382988432.db2.gz BOXGAQLUBKNGDK-CYBMUJFWSA-N 1 0 290.386 2.618 50 0 CFAARO CCc1cc(C[N@H+](C)CCCc2c(C)n[nH]c2C)on1 ZINC000244594113 382988922 /nfs/dbraw/zinc/98/89/22/382988922.db2.gz DGMUEBIIOGTLEL-UHFFFAOYSA-N 1 0 276.384 2.642 50 0 CFAARO COc1cccc2c1OCCC[N@H+](C[C@H]1CCCOC1)C2 ZINC000244626696 382990056 /nfs/dbraw/zinc/99/00/56/382990056.db2.gz FQRUMEBZVCWSKF-CQSZACIVSA-N 1 0 291.391 2.706 50 0 CFAARO C[N@H+](CC[C@H](O)c1ccccc1)Cc1cncn1C1CC1 ZINC000244724121 382990872 /nfs/dbraw/zinc/99/08/72/382990872.db2.gz MNYOIISHCBVMAI-KRWDZBQOSA-N 1 0 285.391 2.774 50 0 CFAARO COC1CC[NH+](C[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000244795672 382992311 /nfs/dbraw/zinc/99/23/11/382992311.db2.gz RLNDTWXRHVSNQE-QGZVFWFLSA-N 1 0 288.435 2.762 50 0 CFAARO CCc1ccccc1NC(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000244873081 382994120 /nfs/dbraw/zinc/99/41/20/382994120.db2.gz WJSSIBUAPSPOFQ-CQSZACIVSA-N 1 0 290.407 2.688 50 0 CFAARO CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H]1C)c1ccccc1 ZINC000245237016 382996979 /nfs/dbraw/zinc/99/69/79/382996979.db2.gz BIQNAFLHOPXADW-VNQPRFMTSA-N 1 0 274.408 2.842 50 0 CFAARO CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246631170 383088555 /nfs/dbraw/zinc/08/85/55/383088555.db2.gz KJOJWLBLIYRIJI-ZNMIVQPWSA-N 1 0 292.448 2.819 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000246691781 383093438 /nfs/dbraw/zinc/09/34/38/383093438.db2.gz MXVQTTPSDPQOQW-HRCADAONSA-N 1 0 286.419 2.699 50 0 CFAARO C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@@H](c1ccccc1)N(C)C ZINC000585117576 383115002 /nfs/dbraw/zinc/11/50/02/383115002.db2.gz LYWDZPVSJTZQPQ-KXBFYZLASA-N 1 0 298.430 2.960 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000248127611 383212955 /nfs/dbraw/zinc/21/29/55/383212955.db2.gz MGMSXILYKAOEJK-LSDHHAIUSA-N 1 0 294.345 2.664 50 0 CFAARO Cn1cccc1C(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000248131443 383212971 /nfs/dbraw/zinc/21/29/71/383212971.db2.gz NFNNGSVLJPULFU-KGLIPLIRSA-N 1 0 260.381 2.720 50 0 CFAARO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000248057935 383209633 /nfs/dbraw/zinc/20/96/33/383209633.db2.gz CKDSLRYVWLKERY-CVEARBPZSA-N 1 0 277.408 2.918 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249417430 383344788 /nfs/dbraw/zinc/34/47/88/383344788.db2.gz ZTKWALOMKQELJY-WOPDTQHZSA-N 1 0 292.345 2.708 50 0 CFAARO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249095417 383326646 /nfs/dbraw/zinc/32/66/46/383326646.db2.gz ICKOUAFUHCMKPK-DEWZPKMOSA-N 1 0 279.449 2.754 50 0 CFAARO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)ccc1F ZINC000251792857 383396522 /nfs/dbraw/zinc/39/65/22/383396522.db2.gz WLUQUQJDNNPQAT-ZKYQVNSYSA-N 1 0 267.344 2.646 50 0 CFAARO Cc1c2ccccc2oc1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC000426484373 383401359 /nfs/dbraw/zinc/40/13/59/383401359.db2.gz 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/nfs/dbraw/zinc/45/62/95/383456295.db2.gz YWHNWJJWYWWENI-LBPRGKRZSA-N 1 0 288.351 2.567 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1CCn1ccnc1-c1ccccn1 ZINC000253416115 383456386 /nfs/dbraw/zinc/45/63/86/383456386.db2.gz PGPOOVHVQPVLOX-CQSZACIVSA-N 1 0 270.380 2.820 50 0 CFAARO CCn1nccc1CC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000253420885 383458940 /nfs/dbraw/zinc/45/89/40/383458940.db2.gz NGOZKEABIFDXFE-QAPCUYQASA-N 1 0 299.418 2.908 50 0 CFAARO CNC(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000252570571 383419363 /nfs/dbraw/zinc/41/93/63/383419363.db2.gz WUJWOAHHEDHFAI-CYZMBNFOSA-N 1 0 266.410 2.704 50 0 CFAARO O=C(c1ccco1)N1CCC[C@H](C[NH+]2CCCC2)CC1 ZINC000257175420 383490111 /nfs/dbraw/zinc/49/01/11/383490111.db2.gz AWFAWJYBEFNTHE-AWEZNQCLSA-N 1 0 276.380 2.618 50 0 CFAARO CCCNC(=O)N1CCC[C@@H](n2c(C)c[nH+]c2C2CC2)C1 ZINC000257183080 383490914 /nfs/dbraw/zinc/49/09/14/383490914.db2.gz QUEACNATMBNFII-CQSZACIVSA-N 1 0 290.411 2.825 50 0 CFAARO CCCNC(=O)N1CCC(n2c(C)c[nH+]c2C2CC2)CC1 ZINC000257181005 383490988 /nfs/dbraw/zinc/49/09/88/383490988.db2.gz MHTNTFWZUGJXRB-UHFFFAOYSA-N 1 0 290.411 2.825 50 0 CFAARO COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000096476526 532988591 /nfs/dbraw/zinc/98/85/91/532988591.db2.gz VOZLJHZXOHSTID-SMDDNHRTSA-N 1 0 279.380 2.515 50 0 CFAARO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1cccc2ccccc21 ZINC000261600929 383526782 /nfs/dbraw/zinc/52/67/82/383526782.db2.gz YTZORNHTBCBOFY-INIZCTEOSA-N 1 0 284.403 2.872 50 0 CFAARO COc1ccc(Cl)c(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000262080024 383604197 /nfs/dbraw/zinc/60/41/97/383604197.db2.gz DWNVAXBSOPDZRY-WDEREUQCSA-N 1 0 268.788 2.518 50 0 CFAARO C[C@H](CO)[N@H+](C)Cc1ccccc1OC1CCCC1 ZINC000289380384 197319544 /nfs/dbraw/zinc/31/95/44/197319544.db2.gz CIASQPVUHJORLI-CYBMUJFWSA-N 1 0 263.381 2.821 50 0 CFAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCSC2)cc1 ZINC000271945476 385408158 /nfs/dbraw/zinc/40/81/58/385408158.db2.gz PXIJODQOEHELFL-CYBMUJFWSA-N 1 0 289.404 2.680 50 0 CFAARO CCC[C@]1(CO)CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000288876250 197184637 /nfs/dbraw/zinc/18/46/37/197184637.db2.gz QTROMKYGUCVWLZ-KRWDZBQOSA-N 1 0 293.407 2.559 50 0 CFAARO O=[n+]1c2c(n(O)cc1-c1cccc(C(F)(F)F)c1)CCC2 ZINC000334157222 285191709 /nfs/dbraw/zinc/19/17/09/285191709.db2.gz LBNJHEMRIDDQHA-UHFFFAOYSA-N 1 0 297.256 2.814 50 0 CFAARO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CC=CCC2)CC1 ZINC000096429074 256756894 /nfs/dbraw/zinc/75/68/94/256756894.db2.gz OTZMLHDOHGUWKZ-CYBMUJFWSA-N 1 0 264.413 2.722 50 0 CFAARO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccnc(-c2ccccc2)n1 ZINC000521395234 256853978 /nfs/dbraw/zinc/85/39/78/256853978.db2.gz FGPGWZMCQZVRNQ-HIFRSBDPSA-N 1 0 282.391 2.672 50 0 CFAARO c1ccc(-c2nnc(SC[C@H]3CCC[NH2+]3)o2)cc1 ZINC000095908617 256881929 /nfs/dbraw/zinc/88/19/29/256881929.db2.gz BGPCEHFTFQFKOQ-LLVKDONJSA-N 1 0 261.350 2.581 50 0 CFAARO O[C@H](C[N@@H+]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000002616066 285351199 /nfs/dbraw/zinc/35/11/99/285351199.db2.gz HMDFHKCUQNUSEN-QWHCGFSZSA-N 1 0 273.298 2.994 50 0 CFAARO COCC1(C[NH2+][C@H](C)CN2CCCCCC2)CCC1 ZINC000824347306 781991590 /nfs/dbraw/zinc/99/15/90/781991590.db2.gz VZXPODQFRSNNSR-OAHLLOKOSA-N 1 0 268.445 2.657 50 0 CFAARO Cc1ncc(C[N@H+](C)C[C@@H]2CCOC2)n1-c1ccccc1 ZINC000093839999 184731074 /nfs/dbraw/zinc/73/10/74/184731074.db2.gz HRGDNIINBHVTOU-HNNXBMFYSA-N 1 0 285.391 2.649 50 0 CFAARO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)CCC2 ZINC000095419448 184975225 /nfs/dbraw/zinc/97/52/25/184975225.db2.gz NYJCMTSURFVHRB-AWEZNQCLSA-N 1 0 286.419 2.838 50 0 CFAARO CN(CCC[NH+](C)C)C(=O)Nc1ccccc1Cl ZINC000095463080 184993704 /nfs/dbraw/zinc/99/37/04/184993704.db2.gz XBGSKXRQUCOPAN-UHFFFAOYSA-N 1 0 269.776 2.755 50 0 CFAARO C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)C(C)(C)C[NH+](C)C ZINC000096449593 533294006 /nfs/dbraw/zinc/29/40/06/533294006.db2.gz ORJQHFYSHWTUGB-GFCCVEGCSA-N 1 0 287.407 2.874 50 0 CFAARO CCCn1ccc(C[NH2+]C[C@](C)(CO)c2ccccc2)c1 ZINC000342238030 130410083 /nfs/dbraw/zinc/41/00/83/130410083.db2.gz XGHKNTLYHMBROG-GOSISDBHSA-N 1 0 286.419 2.938 50 0 CFAARO COc1ccccc1CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000261992194 131181843 /nfs/dbraw/zinc/18/18/43/131181843.db2.gz TYZCEJRKEMBSGU-UHFFFAOYSA-N 1 0 296.370 2.522 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2cncc(F)c2)CCCCCC1 ZINC000268410877 132005225 /nfs/dbraw/zinc/00/52/25/132005225.db2.gz ITLWDRFGJACPCY-UHFFFAOYSA-N 1 0 293.386 2.605 50 0 CFAARO C/C(=C\C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1cccc(F)c1 ZINC000269293418 132150408 /nfs/dbraw/zinc/15/04/08/132150408.db2.gz VFDYUCOHTJIRDZ-MVHRNJCLSA-N 1 0 290.382 2.815 50 0 CFAARO COc1c(-c2ccccc2)sc2nc(C)cc[n+]21 ZINC000003181262 393455722 /nfs/dbraw/zinc/45/57/22/393455722.db2.gz GQNOHRGXVKPART-UHFFFAOYSA-N 1 0 257.338 2.866 50 0 CFAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000004343462 393457817 /nfs/dbraw/zinc/45/78/17/393457817.db2.gz QDFPDGVKOFDMBM-CYBMUJFWSA-N 1 0 259.328 2.984 50 0 CFAARO C[NH+]1CCN(c2ccccc2NC(=O)C2CCCC2)CC1 ZINC000007105751 393465298 /nfs/dbraw/zinc/46/52/98/393465298.db2.gz QAUGOVVWLRPFLQ-UHFFFAOYSA-N 1 0 287.407 2.567 50 0 CFAARO Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000007166518 393466372 /nfs/dbraw/zinc/46/63/72/393466372.db2.gz YQOVOYVJMBRRQX-OWCLPIDISA-N 1 0 277.408 2.713 50 0 CFAARO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)cccc2C)C1 ZINC000046955906 393584127 /nfs/dbraw/zinc/58/41/27/393584127.db2.gz MHJZKFWFGCFBTC-AWEZNQCLSA-N 1 0 275.396 2.767 50 0 CFAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)C1CCCC1 ZINC000065288702 393630740 /nfs/dbraw/zinc/63/07/40/393630740.db2.gz VZGZZABEDBKDHY-CQSZACIVSA-N 1 0 252.402 2.509 50 0 CFAARO Cc1cnc(C)c(-c2cc(Cl)cc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067677873 393633938 /nfs/dbraw/zinc/63/39/38/393633938.db2.gz OTZSQLCFKHDNTH-GFCCVEGCSA-N 1 0 289.766 2.676 50 0 CFAARO CC(C)C[N@@H+](Cc1ncc[nH]1)C[C@H](O)c1ccc(F)cc1 ZINC000089840143 393771050 /nfs/dbraw/zinc/77/10/50/393771050.db2.gz LETXONVNASBNCO-HNNXBMFYSA-N 1 0 291.370 2.740 50 0 CFAARO CCOC[C@H]1CCC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000093419284 393798861 /nfs/dbraw/zinc/79/88/61/393798861.db2.gz FFEIMICWGSUBMK-HNNXBMFYSA-N 1 0 287.407 2.891 50 0 CFAARO COCc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000093640157 393802513 /nfs/dbraw/zinc/80/25/13/393802513.db2.gz KXJLONIYLIEESX-UHFFFAOYSA-N 1 0 261.365 2.588 50 0 CFAARO CNC(=O)c1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)o1 ZINC000096150919 393816045 /nfs/dbraw/zinc/81/60/45/393816045.db2.gz QGGKKPIPDCLZDI-CYBMUJFWSA-N 1 0 270.332 2.731 50 0 CFAARO Cc1n[nH]cc1C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000096403686 393820266 /nfs/dbraw/zinc/82/02/66/393820266.db2.gz XBZXBSASNCYNHX-UHFFFAOYSA-N 1 0 267.279 2.609 50 0 CFAARO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC000096424701 393829723 /nfs/dbraw/zinc/82/97/23/393829723.db2.gz VRLDIEKJAWJMLI-STQMWFEESA-N 1 0 268.788 2.860 50 0 CFAARO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000098015998 393842319 /nfs/dbraw/zinc/84/23/19/393842319.db2.gz ONMPWOFEQMOKCJ-CABCVRRESA-N 1 0 272.392 2.612 50 0 CFAARO Cc1ccc(Cn2c[n+](CCc3ccccc3)cn2)cc1 ZINC000252509949 393937272 /nfs/dbraw/zinc/93/72/72/393937272.db2.gz YYYNSBXCZYRGTA-UHFFFAOYSA-N 1 0 278.379 2.770 50 0 CFAARO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)C1(C[NH3+])CCCC1 ZINC000253433229 393941748 /nfs/dbraw/zinc/94/17/48/393941748.db2.gz UHBUDBQBUUVIQR-GDBMZVCRSA-N 1 0 286.419 2.910 50 0 CFAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1cc2ccccc2o1 ZINC000493199363 394177748 /nfs/dbraw/zinc/17/77/48/394177748.db2.gz CMFHPHBJOJPAGZ-PFBXESSKSA-N 1 0 284.359 2.784 50 0 CFAARO C[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)C[C@@H](C)[NH2+]1 ZINC000153635790 394287308 /nfs/dbraw/zinc/28/73/08/394287308.db2.gz YEXOGRIHENIDLO-IDDPWSFUSA-N 1 0 278.783 2.562 50 0 CFAARO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)CCCCC1 ZINC000170048006 394371060 /nfs/dbraw/zinc/37/10/60/394371060.db2.gz GHETVOZRGONORR-LSDHHAIUSA-N 1 0 272.392 2.568 50 0 CFAARO COc1ccccc1Oc1ccc(NC(=O)C[NH3+])cc1F ZINC000170046571 394371176 /nfs/dbraw/zinc/37/11/76/394371176.db2.gz ZJPXCZMCZZPVMU-UHFFFAOYSA-N 1 0 290.294 2.524 50 0 CFAARO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cccc(F)c1 ZINC000170062296 394371242 /nfs/dbraw/zinc/37/12/42/394371242.db2.gz VZPMYKGIYHGDSO-DINDLPBHSA-N 1 0 257.374 2.633 50 0 CFAARO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000453193469 394382192 /nfs/dbraw/zinc/38/21/92/394382192.db2.gz IEDVWSPPQDVXMG-RVKKMQEKSA-N 1 0 298.434 2.689 50 0 CFAARO COc1ccccc1C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000091646150 135072971 /nfs/dbraw/zinc/07/29/71/135072971.db2.gz FJFZEUVVSYCHGM-UHFFFAOYSA-N 1 0 298.390 2.760 50 0 CFAARO Cc1cccc(CSCCCNC(=O)[C@H](C)[NH+](C)C)c1 ZINC000426372153 397573581 /nfs/dbraw/zinc/57/35/81/397573581.db2.gz CINROXZWXCRVPD-AWEZNQCLSA-N 1 0 294.464 2.685 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@]1(C)CC1(Cl)Cl ZINC000046857475 397582777 /nfs/dbraw/zinc/58/27/77/397582777.db2.gz QFJKRIBSYITRKW-JQWIXIFHSA-N 1 0 293.238 2.561 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000095423898 397591852 /nfs/dbraw/zinc/59/18/52/397591852.db2.gz UYQRWCDWGNMKLE-ZFWWWQNUSA-N 1 0 288.391 2.501 50 0 CFAARO Cn1cc(CC[N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)cn1 ZINC000215141869 397619293 /nfs/dbraw/zinc/61/92/93/397619293.db2.gz AJDWSSFFKCAQPU-UHFFFAOYSA-N 1 0 299.418 2.808 50 0 CFAARO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC(C)C)cc1 ZINC000036391954 292213295 /nfs/dbraw/zinc/21/32/95/292213295.db2.gz DWPIGDHBSUDHDS-HNNXBMFYSA-N 1 0 260.381 2.657 50 0 CFAARO COc1ccccc1[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000003127856 286513109 /nfs/dbraw/zinc/51/31/09/286513109.db2.gz RXFZPESWMNZRLL-SFHVURJKSA-N 1 0 299.370 2.948 50 0 CFAARO Cc1cc(N2CCC[C@H](CNC(=O)c3ccco3)C2)cc[nH+]1 ZINC000370294669 156674351 /nfs/dbraw/zinc/67/43/51/156674351.db2.gz RDCPAHMUDLUNHB-CQSZACIVSA-N 1 0 299.374 2.629 50 0 CFAARO CC(C)C[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000002655929 169818847 /nfs/dbraw/zinc/81/88/47/169818847.db2.gz YFQXFXKUDBBXSA-DOTOQJQBSA-N 1 0 277.408 2.687 50 0 CFAARO CC[C@@H](C)NC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004679881 169997254 /nfs/dbraw/zinc/99/72/54/169997254.db2.gz QGBTZMJGDNJAFG-HUUCEWRRSA-N 1 0 278.440 2.969 50 0 CFAARO c1c(C[NH+]2CCCC2)onc1-c1ccc2c(c1)OCO2 ZINC000004776609 170015756 /nfs/dbraw/zinc/01/57/56/170015756.db2.gz MATXHIBSRCLDIO-UHFFFAOYSA-N 1 0 272.304 2.666 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000004837179 170027011 /nfs/dbraw/zinc/02/70/11/170027011.db2.gz PCTOTSPQXJTUKT-PMPSAXMXSA-N 1 0 261.365 2.651 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000004838068 170027030 /nfs/dbraw/zinc/02/70/30/170027030.db2.gz HZARHADGQPNARO-GFCCVEGCSA-N 1 0 259.349 2.973 50 0 CFAARO COc1cccc(C=O)c1OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004870083 170034754 /nfs/dbraw/zinc/03/47/54/170034754.db2.gz YWQUOYDUMPEZAE-ZIAGYGMSSA-N 1 0 291.391 2.864 50 0 CFAARO COc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(C)c1C ZINC000004948446 170044362 /nfs/dbraw/zinc/04/43/62/170044362.db2.gz LNOWMJVGFPZKPL-CQSZACIVSA-N 1 0 263.381 2.516 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000004991136 170050829 /nfs/dbraw/zinc/05/08/29/170050829.db2.gz IPVWOPHFISNMMO-AWEZNQCLSA-N 1 0 273.332 2.801 50 0 CFAARO C[C@H](NC(=O)C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043837 170059537 /nfs/dbraw/zinc/05/95/37/170059537.db2.gz SHPNFGBQDWCUCX-IILDEKEXSA-N 1 0 290.451 2.803 50 0 CFAARO Fc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000005092883 170065956 /nfs/dbraw/zinc/06/59/56/170065956.db2.gz AZGGOYGOOAEGFN-CYBMUJFWSA-N 1 0 254.736 2.985 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2OC)c(OC)c1 ZINC000005513304 170106334 /nfs/dbraw/zinc/10/63/34/170106334.db2.gz VGVVCKXPXVZCQP-CABCVRRESA-N 1 0 279.380 2.751 50 0 CFAARO CC1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000005614485 170119869 /nfs/dbraw/zinc/11/98/69/170119869.db2.gz XSTHMBMTXNJJIH-KRWDZBQOSA-N 1 0 289.419 2.647 50 0 CFAARO CC[C@@H](C)[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000005907282 170153723 /nfs/dbraw/zinc/15/37/23/170153723.db2.gz MICBYRQQQLDCNS-CYBMUJFWSA-N 1 0 292.423 2.868 50 0 CFAARO C[C@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000005911933 170154060 /nfs/dbraw/zinc/15/40/60/170154060.db2.gz DWUUAAQDLWCZKR-AWEZNQCLSA-N 1 0 271.360 2.736 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000006468374 170203441 /nfs/dbraw/zinc/20/34/41/170203441.db2.gz YFSDLIXTIDZVDO-MJBXVCDLSA-N 1 0 281.371 2.543 50 0 CFAARO CC[N@H+](CCO)Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000006529832 170210768 /nfs/dbraw/zinc/21/07/68/170210768.db2.gz WJBQAWXSXSYWGZ-UHFFFAOYSA-N 1 0 273.380 2.508 50 0 CFAARO O=C(NCC[NH+]1CCCCC1)Nc1ccccc1Cl ZINC000006726559 170233130 /nfs/dbraw/zinc/23/31/30/170233130.db2.gz ZCVNOHDLFBBURJ-UHFFFAOYSA-N 1 0 281.787 2.947 50 0 CFAARO COCC[NH2+][C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006849760 170249253 /nfs/dbraw/zinc/24/92/53/170249253.db2.gz NANQWFMTCIGHMA-AWEZNQCLSA-N 1 0 298.386 2.917 50 0 CFAARO Cc1cc2oc(=O)cc(CSC(N)=[NH2+])c2cc1C ZINC000007715627 170299020 /nfs/dbraw/zinc/29/90/20/170299020.db2.gz JKRWZJATYUOKEB-UHFFFAOYSA-N 1 0 262.334 2.537 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+]C2CC2)cc1OC ZINC000008253376 170326915 /nfs/dbraw/zinc/32/69/15/170326915.db2.gz LRRPPOKOAYEDRU-UHFFFAOYSA-N 1 0 255.745 2.999 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+]C(C)(C)CO)cc1OC ZINC000008253372 170327213 /nfs/dbraw/zinc/32/72/13/170327213.db2.gz FBOSSHMLGCAYQQ-UHFFFAOYSA-N 1 0 287.787 2.608 50 0 CFAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@H](C)O ZINC000008325132 170331315 /nfs/dbraw/zinc/33/13/15/170331315.db2.gz CFFVMLOSUVCUGV-LBPRGKRZSA-N 1 0 259.349 2.709 50 0 CFAARO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OC ZINC000008326275 170331364 /nfs/dbraw/zinc/33/13/64/170331364.db2.gz XXLYJCGNCWRMOB-NSHDSACASA-N 1 0 287.787 2.608 50 0 CFAARO C[NH+](C)C1(CNC(=O)c2ccccc2F)CCCCC1 ZINC000008673970 170345140 /nfs/dbraw/zinc/34/51/40/170345140.db2.gz NUWJEMQTEZONRX-UHFFFAOYSA-N 1 0 278.371 2.820 50 0 CFAARO c1nc2sc3c(c2c(NCC[NH+]2CCCC2)n1)CCC3 ZINC000008921709 170358878 /nfs/dbraw/zinc/35/88/78/170358878.db2.gz ONSKKSQFVPQMHL-UHFFFAOYSA-N 1 0 288.420 2.688 50 0 CFAARO Cc1ccc(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000010384238 170405675 /nfs/dbraw/zinc/40/56/75/170405675.db2.gz JRDUHCQHWWEBQK-HRCADAONSA-N 1 0 277.408 2.998 50 0 CFAARO CCOc1ccc(C[NH2+]CCCOC(C)C)cc1OC ZINC000013721836 170581574 /nfs/dbraw/zinc/58/15/74/170581574.db2.gz HVGCKUWXKVRTNA-UHFFFAOYSA-N 1 0 281.396 2.999 50 0 CFAARO Cc1cccc(NC(=O)NCCC[NH+]2CCCC2)c1 ZINC000014236118 170627321 /nfs/dbraw/zinc/62/73/21/170627321.db2.gz VRFVIJLGTACVCY-UHFFFAOYSA-N 1 0 261.369 2.602 50 0 CFAARO O=C1C[C@@H]([NH2+]C2CCCCC2)CN1CCc1ccccc1 ZINC000015064936 170656039 /nfs/dbraw/zinc/65/60/39/170656039.db2.gz CBPSEXNWOWVEKN-QGZVFWFLSA-N 1 0 286.419 2.752 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000016580360 170702840 /nfs/dbraw/zinc/70/28/40/170702840.db2.gz NTLCILPFCQJCGE-UHFFFAOYSA-N 1 0 264.369 2.501 50 0 CFAARO Cc1cccc(NC(=O)COc2ccc(CC[NH3+])cc2)c1 ZINC000019263769 170763509 /nfs/dbraw/zinc/76/35/09/170763509.db2.gz FLAZYNMEKNSLED-UHFFFAOYSA-N 1 0 284.359 2.514 50 0 CFAARO c1ccc(C(OCCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000019367174 170777888 /nfs/dbraw/zinc/77/78/88/170777888.db2.gz MBFDHHKTIBKZNR-UHFFFAOYSA-N 1 0 296.414 2.698 50 0 CFAARO COc1ccc(OC)c(C[NH2+]CCCOC(C)C)c1 ZINC000020198255 171062025 /nfs/dbraw/zinc/06/20/25/171062025.db2.gz HGZJWYJZXHORLX-UHFFFAOYSA-N 1 0 267.369 2.609 50 0 CFAARO CC[NH+]1CCN(CCCOc2ccc3c(c2)CCC3)CC1 ZINC000020406546 171183313 /nfs/dbraw/zinc/18/33/13/171183313.db2.gz NMSJZFGXTIZALY-UHFFFAOYSA-N 1 0 288.435 2.582 50 0 CFAARO C[C@@H]([NH2+]CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 ZINC000020445527 171206179 /nfs/dbraw/zinc/20/61/79/171206179.db2.gz IORILOKNTLZJQO-CYBMUJFWSA-N 1 0 293.370 2.816 50 0 CFAARO Cc1cccc(C)c1NC(=O)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020458504 171208667 /nfs/dbraw/zinc/20/86/67/171208667.db2.gz QMSHNUMEWJZVDT-HUUCEWRRSA-N 1 0 290.407 2.741 50 0 CFAARO CCOc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1Cl ZINC000020477527 171221308 /nfs/dbraw/zinc/22/13/08/171221308.db2.gz BOFIPTWLHOJEFT-OAHLLOKOSA-N 1 0 294.826 2.923 50 0 CFAARO COC[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000020600843 171266436 /nfs/dbraw/zinc/26/64/36/171266436.db2.gz QLIXWKCOISIUTQ-LBPRGKRZSA-N 1 0 269.772 2.687 50 0 CFAARO CCC(=O)c1ccc(OCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020652537 171268712 /nfs/dbraw/zinc/26/87/12/171268712.db2.gz SWVGZKFTRCVHLX-ZIAGYGMSSA-N 1 0 291.391 2.767 50 0 CFAARO CCCc1ccc(OCCCN2CCOCC2)c(OC)c1 ZINC000020653405 171269045 /nfs/dbraw/zinc/26/90/45/171269045.db2.gz WYWUYGXDEBZAJW-UHFFFAOYSA-N 1 0 293.407 2.749 50 0 CFAARO NC(=O)[C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000020948212 171282351 /nfs/dbraw/zinc/28/23/51/171282351.db2.gz ZZAWODUUVOUDNE-HNNXBMFYSA-N 1 0 268.360 2.537 50 0 CFAARO CCC[NH+](CCC)CCCNc1ncnc2onc(C)c21 ZINC000021714722 171319436 /nfs/dbraw/zinc/31/94/36/171319436.db2.gz OVMJQKVEBTVKCN-UHFFFAOYSA-N 1 0 291.399 2.850 50 0 CFAARO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OC ZINC000022075964 171352204 /nfs/dbraw/zinc/35/22/04/171352204.db2.gz CXRKYOXHYHHBPN-HNNXBMFYSA-N 1 0 287.359 2.527 50 0 CFAARO [NH3+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000022162500 171364592 /nfs/dbraw/zinc/36/45/92/171364592.db2.gz LFMJREKGYGAGIA-UHFFFAOYSA-N 1 0 284.359 2.943 50 0 CFAARO C[NH+](C)CCCOC(=O)c1cccc(Br)c1 ZINC000022203534 171372448 /nfs/dbraw/zinc/37/24/48/171372448.db2.gz SXUJXNICNRAQJO-UHFFFAOYSA-N 1 0 286.169 2.558 50 0 CFAARO CC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000022454577 171388030 /nfs/dbraw/zinc/38/80/30/171388030.db2.gz DVDSQDKGMVJNFO-UHFFFAOYSA-N 1 0 283.213 2.587 50 0 CFAARO Cc1cc2ncnn2c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000024775775 171441154 /nfs/dbraw/zinc/44/11/54/171441154.db2.gz WIGTZVRGBPVVJS-UHFFFAOYSA-N 1 0 287.411 2.759 50 0 CFAARO CCc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)o1 ZINC000284896966 196151822 /nfs/dbraw/zinc/15/18/22/196151822.db2.gz HIDLIZZJJKGLQN-JKSUJKDBSA-N 1 0 272.348 2.857 50 0 CFAARO C[C@@H](Cc1ccccc1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000033640216 171816445 /nfs/dbraw/zinc/81/64/45/171816445.db2.gz IWKMPPNWOWOESR-ZDUSSCGKSA-N 1 0 268.360 2.506 50 0 CFAARO C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+][C@@H](C)CO ZINC000035602981 172291680 /nfs/dbraw/zinc/29/16/80/172291680.db2.gz FFORVYYRQNVMFQ-MNOVXSKESA-N 1 0 273.323 2.580 50 0 CFAARO Cc1cccc(-n2nnnc2C2([NH+]3CCCC3)CCCC2)c1 ZINC000035622493 172303806 /nfs/dbraw/zinc/30/38/06/172303806.db2.gz APQSFJQGLRINPG-UHFFFAOYSA-N 1 0 297.406 2.836 50 0 CFAARO CN(C)[C@H](C[NH2+]C1Cc2ccccc2C1)c1ccco1 ZINC000035657982 172333109 /nfs/dbraw/zinc/33/31/09/172333109.db2.gz HBQQXQMEOUKCRT-MRXNPFEDSA-N 1 0 270.376 2.639 50 0 CFAARO COc1ccc([C@@H](C)[NH2+]C2CCOCC2)cc1F ZINC000036319340 172601008 /nfs/dbraw/zinc/60/10/08/172601008.db2.gz KWNBMBDVKYQINC-SNVBAGLBSA-N 1 0 253.317 2.664 50 0 CFAARO Cc1ncccc1C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000657795764 413950339 /nfs/dbraw/zinc/95/03/39/413950339.db2.gz OEVROAYZYSCCJK-CXAGYDPISA-N 1 0 270.376 2.644 50 0 CFAARO [NH3+][C@@H](CC(=O)NCC1CCCCC1)c1ccccc1 ZINC000037259852 173070161 /nfs/dbraw/zinc/07/01/61/173070161.db2.gz SPPULJYVXKQWKR-HNNXBMFYSA-N 1 0 260.381 2.773 50 0 CFAARO O=C(C[NH2+]Cc1cccs1)Nc1cccc(F)c1 ZINC000037467001 173226588 /nfs/dbraw/zinc/22/65/88/173226588.db2.gz HGICJGALFZQVKX-UHFFFAOYSA-N 1 0 264.325 2.616 50 0 CFAARO O[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000037490172 173231839 /nfs/dbraw/zinc/23/18/39/173231839.db2.gz NGDVPKNJPMVSHP-NWDGAFQWSA-N 1 0 259.271 2.708 50 0 CFAARO CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000658015868 414104410 /nfs/dbraw/zinc/10/44/10/414104410.db2.gz STPARFYNLSCYDB-WCVJEAGWSA-N 1 0 274.408 2.572 50 0 CFAARO c1ccc(C[N@@H+]2CCN[C@H](c3ccccc3)C2)cc1 ZINC000039565648 174170061 /nfs/dbraw/zinc/17/00/61/174170061.db2.gz KMOQMXILLUBOJL-KRWDZBQOSA-N 1 0 252.361 2.833 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1ccccc1Cl ZINC000039975626 174180718 /nfs/dbraw/zinc/18/07/18/174180718.db2.gz YSQQIHAHZQWISG-CQSZACIVSA-N 1 0 294.826 2.873 50 0 CFAARO O=C(CCc1ccccc1Cl)NCCC[NH+]1CCCC1 ZINC000039985582 174181897 /nfs/dbraw/zinc/18/18/97/174181897.db2.gz AVQCSKYWKNVGQM-UHFFFAOYSA-N 1 0 294.826 2.875 50 0 CFAARO CC[C@H](CNC(=O)c1ccccc1C)[NH+]1CCCC1 ZINC000040092359 174189352 /nfs/dbraw/zinc/18/93/52/174189352.db2.gz UAFAVFCMYFUJKU-CQSZACIVSA-N 1 0 260.381 2.599 50 0 CFAARO COc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000040145622 174195154 /nfs/dbraw/zinc/19/51/54/174195154.db2.gz HDHYMVQADYZCMZ-CYBMUJFWSA-N 1 0 291.395 2.691 50 0 CFAARO C[C@H]1CCC[N@H+](CC(=O)NCCC2=CCCCC2)C1 ZINC000040161802 174196198 /nfs/dbraw/zinc/19/61/98/174196198.db2.gz JOHLZMVBAGHRSW-AWEZNQCLSA-N 1 0 264.413 2.725 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@@]23c2ccccc2NC3=O)cc1 ZINC000040312587 174231746 /nfs/dbraw/zinc/23/17/46/174231746.db2.gz NGFAHQNBKATQCJ-FUHWJXTLSA-N 1 0 294.354 2.620 50 0 CFAARO O=C(Nc1ccc2c(c1)C[NH2+]C2)c1c(F)cccc1F ZINC000040450031 174265904 /nfs/dbraw/zinc/26/59/04/174265904.db2.gz WNNFOWFVPVUIPX-UHFFFAOYSA-N 1 0 274.270 2.820 50 0 CFAARO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)c(C)o1 ZINC000040461922 174270936 /nfs/dbraw/zinc/27/09/36/174270936.db2.gz UXCSSAULYLJETN-UHFFFAOYSA-N 1 0 266.385 2.745 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Nc1cccnc1)c1ccsc1 ZINC000040498774 174295956 /nfs/dbraw/zinc/29/59/56/174295956.db2.gz YEYQYLXRNKNJLX-CYBMUJFWSA-N 1 0 290.392 2.568 50 0 CFAARO CCN1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000040502909 174299213 /nfs/dbraw/zinc/29/92/13/174299213.db2.gz PSZVCHKUSYTWRQ-ZDUSSCGKSA-N 1 0 290.436 2.712 50 0 CFAARO CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000040513776 174305933 /nfs/dbraw/zinc/30/59/33/174305933.db2.gz FKABVJJQFCLMFT-NSHDSACASA-N 1 0 261.325 2.952 50 0 CFAARO CC(C)=CC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000042603602 174818949 /nfs/dbraw/zinc/81/89/49/174818949.db2.gz CMCJYTSHOBGQDB-UHFFFAOYSA-N 1 0 260.381 2.543 50 0 CFAARO CCOC(=O)c1ccc(OCC[C@H]2CCC[NH2+]C2)cc1 ZINC000042771332 174871226 /nfs/dbraw/zinc/87/12/26/174871226.db2.gz UIXJRMWBALVDKB-CYBMUJFWSA-N 1 0 277.364 2.632 50 0 CFAARO Fc1cccc(F)c1COCCC1CC[NH2+]CC1 ZINC000042773953 174872352 /nfs/dbraw/zinc/87/23/52/174872352.db2.gz GQQQNXXLSPCKSL-UHFFFAOYSA-N 1 0 255.308 2.871 50 0 CFAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000044501871 175185798 /nfs/dbraw/zinc/18/57/98/175185798.db2.gz VBGPMVZWGCFVSA-SECBINFHSA-N 1 0 287.190 2.723 50 0 CFAARO CCOc1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000045945442 175388107 /nfs/dbraw/zinc/38/81/07/175388107.db2.gz KRWZYXYTZFCBCT-UHFFFAOYSA-N 1 0 272.348 2.649 50 0 CFAARO Cc1c(C[NH2+]C2CCOCC2)sc2nc(C)nc(C)c12 ZINC000048231034 175421979 /nfs/dbraw/zinc/42/19/79/175421979.db2.gz MHDVPJNGAYSNRB-UHFFFAOYSA-N 1 0 291.420 2.885 50 0 CFAARO Cc1ccsc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000055538687 175580522 /nfs/dbraw/zinc/58/05/22/175580522.db2.gz BSCHJVPBWWERCK-LLVKDONJSA-N 1 0 266.410 2.518 50 0 CFAARO C[C@@H](C1CC1)N(C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000058169230 175609906 /nfs/dbraw/zinc/60/99/06/175609906.db2.gz MBBMLNGWUZMOOA-ZDUSSCGKSA-N 1 0 281.444 2.691 50 0 CFAARO COc1cccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000058323805 175618229 /nfs/dbraw/zinc/61/82/29/175618229.db2.gz ZKQHIMXQARRQSK-CYBMUJFWSA-N 1 0 291.395 2.547 50 0 CFAARO C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CC1)OCCO2 ZINC000058430926 175625039 /nfs/dbraw/zinc/62/50/39/175625039.db2.gz UOCHBAKSUYZESG-LBPRGKRZSA-N 1 0 265.328 2.726 50 0 CFAARO Cc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000067447313 175774596 /nfs/dbraw/zinc/77/45/96/175774596.db2.gz OYNDGAYPZXPSHF-UHFFFAOYSA-N 1 0 273.380 2.602 50 0 CFAARO CC[NH+](CC)CCn1cc(NC(=O)[C@H]2CC=CCC2)cn1 ZINC000069596407 175841901 /nfs/dbraw/zinc/84/19/01/175841901.db2.gz HNYLRVRLAKXMRE-AWEZNQCLSA-N 1 0 290.411 2.520 50 0 CFAARO Cc1ncc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)s1 ZINC000069744010 175851207 /nfs/dbraw/zinc/85/12/07/175851207.db2.gz ANXUBOMBFNHWJG-CYBMUJFWSA-N 1 0 276.409 2.703 50 0 CFAARO Cc1n[nH]cc1CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000070938849 176013026 /nfs/dbraw/zinc/01/30/26/176013026.db2.gz RCPRRSMTKCFDOZ-UHFFFAOYSA-N 1 0 268.364 2.922 50 0 CFAARO CCCc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000071278845 176108197 /nfs/dbraw/zinc/10/81/97/176108197.db2.gz PQWFKYMDTBAXLJ-HNNXBMFYSA-N 1 0 274.408 2.711 50 0 CFAARO CCC[N@@H+]1CCCN(C(=O)CCCc2ccccc2)CC1 ZINC000071850300 176276436 /nfs/dbraw/zinc/27/64/36/176276436.db2.gz PDLBDFKTRCUPNL-UHFFFAOYSA-N 1 0 288.435 2.954 50 0 CFAARO Cc1cc(N2CC[C@H](c3cccc(F)c3)C2)nc(N)[nH+]1 ZINC000071856508 176278801 /nfs/dbraw/zinc/27/88/01/176278801.db2.gz JLTWFMXTRQLVKR-LBPRGKRZSA-N 1 0 272.327 2.500 50 0 CFAARO CCOCCN1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000071864729 176281516 /nfs/dbraw/zinc/28/15/16/176281516.db2.gz UJNAPZFNDOBZNJ-QGZVFWFLSA-N 1 0 290.451 2.662 50 0 CFAARO Cc1cnn(CC[NH2+]CCCc2nc3ccccc3o2)c1 ZINC000071872127 176284355 /nfs/dbraw/zinc/28/43/55/176284355.db2.gz NFYFNCKPXJPVKA-UHFFFAOYSA-N 1 0 284.363 2.555 50 0 CFAARO c1ncn(C[C@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000071875096 176284621 /nfs/dbraw/zinc/28/46/21/176284621.db2.gz JPNSMBUPOQXCJM-HNNXBMFYSA-N 1 0 262.401 2.570 50 0 CFAARO c1ncn(C[C@@H]2CCC[N@H+](CC3CCCCC3)C2)n1 ZINC000071875095 176284959 /nfs/dbraw/zinc/28/49/59/176284959.db2.gz JPNSMBUPOQXCJM-OAHLLOKOSA-N 1 0 262.401 2.570 50 0 CFAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000072050704 176310705 /nfs/dbraw/zinc/31/07/05/176310705.db2.gz HPZYSTOBOMZXPV-PKOBYXMFSA-N 1 0 290.366 2.983 50 0 CFAARO C[N@@H+](Cc1cccc2ncccc12)C[C@@H]1CCOC1 ZINC000072146344 176325037 /nfs/dbraw/zinc/32/50/37/176325037.db2.gz LJWUKWQOGVBKCJ-ZDUSSCGKSA-N 1 0 256.349 2.703 50 0 CFAARO c1c(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nnn1-c1ccccc1 ZINC000072156863 176328734 /nfs/dbraw/zinc/32/87/34/176328734.db2.gz ZKSOJTWIRBJJEN-GASCZTMLSA-N 1 0 280.375 2.665 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3ccccc3cn2)CC1 ZINC000072163180 176330588 /nfs/dbraw/zinc/33/05/88/176330588.db2.gz ZUPXBGLLANIYJM-MRXNPFEDSA-N 1 0 297.402 2.791 50 0 CFAARO CCCc1cc(NC[C@@H](CCC)[NH+](C)C)n2nccc2n1 ZINC000072174274 176333520 /nfs/dbraw/zinc/33/35/20/176333520.db2.gz JKMLBBKQDLHFAD-CQSZACIVSA-N 1 0 289.427 2.824 50 0 CFAARO Cc1cc(Nc2ncccc2C)nc([C@H]2CCC[NH2+]C2)n1 ZINC000072343503 176372304 /nfs/dbraw/zinc/37/23/04/176372304.db2.gz IMFCPNNSHDXRQE-ZDUSSCGKSA-N 1 0 283.379 2.699 50 0 CFAARO Clc1ccccc1OCCc1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000072344102 176372808 /nfs/dbraw/zinc/37/28/08/176372808.db2.gz RCNWQTOFJBQQII-NSHDSACASA-N 1 0 291.782 2.762 50 0 CFAARO Cc1ccc([C@@H](CNC(=O)C2CC=CC2)[NH+](C)C)cc1 ZINC000076964270 177135856 /nfs/dbraw/zinc/13/58/56/177135856.db2.gz JAWXYBMXMIOXLN-MRXNPFEDSA-N 1 0 272.392 2.680 50 0 CFAARO CN1CCCCC[C@H]2[NH2+][C@H](Cc3ccccc3)C[C@@H]21 ZINC000077010499 177146264 /nfs/dbraw/zinc/14/62/64/177146264.db2.gz RBPWJGKAFDHQIB-ZACQAIPSSA-N 1 0 258.409 2.834 50 0 CFAARO Cc1cnc(Nc2cc([C@H]3CCC[NH2+]C3)nc(C)n2)s1 ZINC000077011033 177146624 /nfs/dbraw/zinc/14/66/24/177146624.db2.gz MAZYDYYHKHVDJT-NSHDSACASA-N 1 0 289.408 2.761 50 0 CFAARO O[C@H](Cc1ccccc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000077300402 177250676 /nfs/dbraw/zinc/25/06/76/177250676.db2.gz WTSVUPYQPMOVRE-GOSISDBHSA-N 1 0 282.387 2.902 50 0 CFAARO CC(C)[N@H+](CC(=O)Nc1ccccc1)C1CCOCC1 ZINC000077323777 177253421 /nfs/dbraw/zinc/25/34/21/177253421.db2.gz ZUYNVNKLLAPPAV-UHFFFAOYSA-N 1 0 276.380 2.515 50 0 CFAARO c1csc(CC[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000077356030 177256110 /nfs/dbraw/zinc/25/61/10/177256110.db2.gz BHCUVBBKIVLEPN-CYBMUJFWSA-N 1 0 281.421 2.608 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C1CN(c2noc(-c3ccccc3)n2)C1 ZINC000077358725 177256895 /nfs/dbraw/zinc/25/68/95/177256895.db2.gz YPJZTXGINQNKNE-ZDUSSCGKSA-N 1 0 298.390 2.800 50 0 CFAARO CC(C)(C)OC(=O)NCC1(CC[NH3+])CCCCC1 ZINC000012647719 260063375 /nfs/dbraw/zinc/06/33/75/260063375.db2.gz GZBKNFMNMFIGNU-UHFFFAOYSA-N 1 0 256.390 2.810 50 0 CFAARO CC[C@@H](CNC(=O)c1cn(C)c2ccccc12)[NH+]1CCCC1 ZINC000042498600 273718167 /nfs/dbraw/zinc/71/81/67/273718167.db2.gz AGLCVOCJZGARQW-AWEZNQCLSA-N 1 0 299.418 2.783 50 0 CFAARO C[C@@H](c1ccc(F)cc1)N1CC[C@H](C[NH+](C)C)C1 ZINC000095959702 274276341 /nfs/dbraw/zinc/27/63/41/274276341.db2.gz YPYAKHUBXKRALR-QWHCGFSZSA-N 1 0 250.361 2.770 50 0 CFAARO C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)[C@@H]1CO ZINC000089929842 274291432 /nfs/dbraw/zinc/29/14/32/274291432.db2.gz SMJLIBIQRQRUES-MLGOLLRUSA-N 1 0 288.366 2.967 50 0 CFAARO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2cc(F)ccc2s1 ZINC000186690909 274306353 /nfs/dbraw/zinc/30/63/53/274306353.db2.gz VUFOGACDOZQUEG-SKDRFNHKSA-N 1 0 292.379 2.768 50 0 CFAARO Cc1cc(N(C)C)nc(N2CCC[C@H]2c2ccccn2)[nH+]1 ZINC000075122959 274702865 /nfs/dbraw/zinc/70/28/65/274702865.db2.gz IGPDATBXJPJUTF-AWEZNQCLSA-N 1 0 283.379 2.588 50 0 CFAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000122310982 274952180 /nfs/dbraw/zinc/95/21/80/274952180.db2.gz JKHFDNANDYEECY-LLVKDONJSA-N 1 0 273.163 2.557 50 0 CFAARO OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000170074650 275049912 /nfs/dbraw/zinc/04/99/12/275049912.db2.gz QVWHUMBZANJWGG-SQWLQELKSA-N 1 0 285.387 2.960 50 0 CFAARO CC(C)[NH2+][C@@H](C)[C@H](O)c1ccc(Br)cc1 ZINC000071611540 275657204 /nfs/dbraw/zinc/65/72/04/275657204.db2.gz MUNRNSNAMPPKAP-CABZTGNLSA-N 1 0 272.186 2.869 50 0 CFAARO CC(C)[NH2+][C@H](C)[C@@H](O)c1ccc(Br)cc1 ZINC000071611546 275657339 /nfs/dbraw/zinc/65/73/39/275657339.db2.gz MUNRNSNAMPPKAP-BXKDBHETSA-N 1 0 272.186 2.869 50 0 CFAARO CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000047218881 275871091 /nfs/dbraw/zinc/87/10/91/275871091.db2.gz QPYZZPNFCAIMLT-CYBMUJFWSA-N 1 0 259.328 2.984 50 0 CFAARO CCC[NH2+]CC[C@H]1CCC(=O)N1C1Cc2ccccc2C1 ZINC000012453286 276017897 /nfs/dbraw/zinc/01/78/97/276017897.db2.gz RTVFNAIYFXFHNN-MRXNPFEDSA-N 1 0 286.419 2.535 50 0 CFAARO CC[NH+](CC)C[C@H](O)COc1ccc2ccccc2c1 ZINC000001462671 276108962 /nfs/dbraw/zinc/10/89/62/276108962.db2.gz CPWJTPUSFGFSTB-INIZCTEOSA-N 1 0 273.376 2.921 50 0 CFAARO CCn1cc([C@H]2[NH2+]CCc3c4cc(C)ccc4[nH]c32)cn1 ZINC000012394325 276715327 /nfs/dbraw/zinc/71/53/27/276715327.db2.gz HBKRHBAPTNJQBY-MRXNPFEDSA-N 1 0 280.375 2.928 50 0 CFAARO CN1CC2(CCC1=O)CC[NH+](Cc1ccccc1)CC2 ZINC000091756355 277022735 /nfs/dbraw/zinc/02/27/35/277022735.db2.gz RBZWHVUHYPQGOZ-UHFFFAOYSA-N 1 0 272.392 2.521 50 0 CFAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C)c(F)cc1Cl ZINC000237253971 277032659 /nfs/dbraw/zinc/03/26/59/277032659.db2.gz AMWIVOYQIIKVLL-SNVBAGLBSA-N 1 0 284.762 2.612 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000020286171 277187093 /nfs/dbraw/zinc/18/70/93/277187093.db2.gz MRJDBVXBFHWXQC-RYUDHWBXSA-N 1 0 254.374 2.528 50 0 CFAARO CC(C)C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000085132285 277422724 /nfs/dbraw/zinc/42/27/24/277422724.db2.gz ZWYYRMMZCRDBOP-QWRGUYRKSA-N 1 0 253.308 2.716 50 0 CFAARO COc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCC3)cc1 ZINC000103703154 277858964 /nfs/dbraw/zinc/85/89/64/277858964.db2.gz WXAIPEPKZNQALH-UHFFFAOYSA-N 1 0 287.339 2.503 50 0 CFAARO CSC1=NC2(CC[NH2+]CC2)N=C1c1ccc(Cl)cc1 ZINC000085345176 278126313 /nfs/dbraw/zinc/12/63/13/278126313.db2.gz FHVBNIZPOXFRJG-UHFFFAOYSA-N 1 0 293.823 2.984 50 0 CFAARO C[C@@H](C1CC1)[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)C1CC1 ZINC000042123227 278219046 /nfs/dbraw/zinc/21/90/46/278219046.db2.gz OBQPGRUDNHVABH-WWGRRREGSA-N 1 0 278.440 2.944 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000063193111 278316735 /nfs/dbraw/zinc/31/67/35/278316735.db2.gz AVHRARGZANIXKE-NOZJJQNGSA-N 1 0 284.762 2.821 50 0 CFAARO CC1(C)C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)C(C)(C)O1 ZINC000089917906 278390315 /nfs/dbraw/zinc/39/03/15/278390315.db2.gz WZOMODFBNDLTFR-QWRGUYRKSA-N 1 0 294.361 2.559 50 0 CFAARO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(C[NH3+])cc1 ZINC000237524234 278881249 /nfs/dbraw/zinc/88/12/49/278881249.db2.gz WMFQKIQVFXYSFD-ZDUSSCGKSA-N 1 0 296.370 2.881 50 0 CFAARO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@]1(C)CC[NH2+]C1 ZINC000269213400 278929717 /nfs/dbraw/zinc/92/97/17/278929717.db2.gz IUAIFQMJLHDHSC-SUYBPPKGSA-N 1 0 290.382 2.530 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2c(C)noc2C)c1 ZINC000069493100 279034155 /nfs/dbraw/zinc/03/41/55/279034155.db2.gz YFXMUPUDFJRLFP-PWSUYJOCSA-N 1 0 262.357 2.536 50 0 CFAARO Clc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1Cl ZINC000066088633 279292261 /nfs/dbraw/zinc/29/22/61/279292261.db2.gz YZWNTWQKLLVVTE-LLVKDONJSA-N 1 0 268.147 2.952 50 0 CFAARO CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCCOC1 ZINC000345892686 279433872 /nfs/dbraw/zinc/43/38/72/279433872.db2.gz UPJSQRLYJCXTEF-MRXNPFEDSA-N 1 0 296.455 2.526 50 0 CFAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000037816219 280085046 /nfs/dbraw/zinc/08/50/46/280085046.db2.gz MFLMDFZOIMBWAV-UONOGXRCSA-N 1 0 278.783 2.756 50 0 CFAARO Cc1c(-c2cccs2)[n+](=O)c2c(n1O)CCCC2 ZINC000103936481 280195751 /nfs/dbraw/zinc/19/57/51/280195751.db2.gz OMFBEZFJFRMYTM-UHFFFAOYSA-N 1 0 263.342 2.556 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000095414973 280578640 /nfs/dbraw/zinc/57/86/40/280578640.db2.gz OPDKDOHXJPELCO-DOTOQJQBSA-N 1 0 272.392 2.665 50 0 CFAARO Cc1ccc(-c2cncnc2[C@H]2CCC[NH2+]C2)cc1 ZINC000096959191 280720344 /nfs/dbraw/zinc/72/03/44/280720344.db2.gz AVRAVIFRBCHAES-AWEZNQCLSA-N 1 0 253.349 2.919 50 0 CFAARO Cc1ccc2nc(C)c(C(=O)N3CCCC[C@@H]3C[NH3+])cc2c1 ZINC000237898069 281152234 /nfs/dbraw/zinc/15/22/34/281152234.db2.gz VKLBFGVAGMNWSS-OAHLLOKOSA-N 1 0 297.402 2.805 50 0 CFAARO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000094433554 288305571 /nfs/dbraw/zinc/30/55/71/288305571.db2.gz ZECYFNBJTFMRMD-JKSUJKDBSA-N 1 0 259.397 2.530 50 0 CFAARO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1ccsc1)CCC2 ZINC000089702139 281548006 /nfs/dbraw/zinc/54/80/06/281548006.db2.gz BUWBQWJXQIYLAU-CYBMUJFWSA-N 1 0 261.394 2.920 50 0 CFAARO Cc1ccccc1[C@H](Cn1ccnc1-c1c[nH]cn1)[NH+](C)C ZINC000072470447 292681579 /nfs/dbraw/zinc/68/15/79/292681579.db2.gz DIGHAJRRMXJTSP-INIZCTEOSA-N 1 0 295.390 2.885 50 0 CFAARO CN(C(=O)[C@H]1C[C@H]1c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000237092317 288914150 /nfs/dbraw/zinc/91/41/50/288914150.db2.gz RQAQOUVFHVZMPG-KBPBESRZSA-N 1 0 292.810 2.654 50 0 CFAARO Cc1ccccc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000004705395 292707357 /nfs/dbraw/zinc/70/73/57/292707357.db2.gz UWJMWQSMLMAMEF-AWEZNQCLSA-N 1 0 277.331 2.632 50 0 CFAARO CNC(=O)C1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000069441323 290358658 /nfs/dbraw/zinc/35/86/58/290358658.db2.gz JPKYWNJMDDGOEW-LLVKDONJSA-N 1 0 280.799 2.859 50 0 CFAARO [NH3+][C@H](CCO)c1ccc(OCc2ccccc2)cc1 ZINC000004089653 295330704 /nfs/dbraw/zinc/33/07/04/295330704.db2.gz LTGQQRZGPYYPNY-MRXNPFEDSA-N 1 0 257.333 2.648 50 0 CFAARO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000269227981 297468056 /nfs/dbraw/zinc/46/80/56/297468056.db2.gz ROIWZJVOVMDVGL-LMOYCYGVSA-N 1 0 290.382 2.863 50 0 CFAARO O=C(NCc1ccc2sccc2c1)[C@H]1CCCC[NH2+]1 ZINC000828124224 782074937 /nfs/dbraw/zinc/07/49/37/782074937.db2.gz IJPKIZQXDHKLEQ-CYBMUJFWSA-N 1 0 274.389 2.660 50 0 CFAARO CC(C)(C[NH+]1CCCCCC1)NC(=O)C[C@@H]1CCCOC1 ZINC000534581084 328311446 /nfs/dbraw/zinc/31/14/46/328311446.db2.gz XSVUVIGSFSWRRH-HNNXBMFYSA-N 1 0 296.455 2.574 50 0 CFAARO C[C@H](Cn1ccnc1)[NH2+]CC1(N(C)C)CCCCCC1 ZINC000534586309 328315504 /nfs/dbraw/zinc/31/55/04/328315504.db2.gz WLBWUGALCCGEIP-OAHLLOKOSA-N 1 0 278.444 2.516 50 0 CFAARO C[C@@H](COc1ccccc1)[NH2+]CC1(Cn2cccn2)CC1 ZINC000534590062 328317862 /nfs/dbraw/zinc/31/78/62/328317862.db2.gz BQXLOGHQBOAHTJ-HNNXBMFYSA-N 1 0 285.391 2.720 50 0 CFAARO COc1ccccc1-c1cc(C[NH2+][C@@H]2CCCOC2)on1 ZINC000534593134 328318975 /nfs/dbraw/zinc/31/89/75/328318975.db2.gz OSNKMMBCRGGXGZ-GFCCVEGCSA-N 1 0 288.347 2.619 50 0 CFAARO Cc1cnc(C)c(NC[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000534652457 328338061 /nfs/dbraw/zinc/33/80/61/328338061.db2.gz CVFFWYLGNHEGAE-AWEZNQCLSA-N 1 0 274.412 2.770 50 0 CFAARO CC(C)(C)c1ccc(C(=O)CCCN2CC[C@H]([NH3+])C2)cc1 ZINC000534670949 328347506 /nfs/dbraw/zinc/34/75/06/328347506.db2.gz SNZWNFUDKNNTNQ-INIZCTEOSA-N 1 0 288.435 2.980 50 0 CFAARO CC1(C)C[C@H]([NH2+]CC(=O)Nc2ccccc2F)C(C)(C)O1 ZINC000132584229 323626013 /nfs/dbraw/zinc/62/60/13/323626013.db2.gz DGNPVJQOYSTNSP-ZDUSSCGKSA-N 1 0 294.370 2.700 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+]CCn1cnnc1C1CC1)[C@H](C)C2 ZINC000195553767 324108455 /nfs/dbraw/zinc/10/84/55/324108455.db2.gz JKZKPAJQTPSYIW-CXAGYDPISA-N 1 0 296.418 2.987 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000195571228 324109128 /nfs/dbraw/zinc/10/91/28/324109128.db2.gz HQLMPJHSIUFVEX-BFHYXJOUSA-N 1 0 284.469 2.650 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCC(CC(N)=O)CC1 ZINC000195575776 324109204 /nfs/dbraw/zinc/10/92/04/324109204.db2.gz QYNUMPSSTAKDHK-UKRRQHHQSA-N 1 0 264.413 2.566 50 0 CFAARO CCc1nc(CC[NH2+][C@H]2CCCSC2)cs1 ZINC000128255511 328449079 /nfs/dbraw/zinc/44/90/79/328449079.db2.gz XYOOHJVSJYQIPA-JTQLQIEISA-N 1 0 256.440 2.733 50 0 CFAARO COc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000019871938 326857444 /nfs/dbraw/zinc/85/74/44/326857444.db2.gz WABJCUDDHYEJIK-OAHLLOKOSA-N 1 0 257.333 2.518 50 0 CFAARO C[N@H+](CC1CCCC1)Cn1cc(Br)cn1 ZINC000058207377 327010364 /nfs/dbraw/zinc/01/03/64/327010364.db2.gz SCVRNZKKOUJYPH-UHFFFAOYSA-N 1 0 272.190 2.725 50 0 CFAARO OCc1cc(N2CCOc3ccc(Cl)cc3C2)cc[nH+]1 ZINC000828837268 782111655 /nfs/dbraw/zinc/11/16/55/782111655.db2.gz RDVMLLOUAJQRNM-UHFFFAOYSA-N 1 0 290.750 2.626 50 0 CFAARO C[C@H](NCC[N@H+](C)C1CCCCC1)c1ccncc1 ZINC000096489812 533854740 /nfs/dbraw/zinc/85/47/40/533854740.db2.gz DBGFYLIDPNWRHN-AWEZNQCLSA-N 1 0 261.413 2.997 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000096477180 534156856 /nfs/dbraw/zinc/15/68/56/534156856.db2.gz WDSJZQUNPNELRW-VXGBXAGGSA-N 1 0 252.427 2.751 50 0 CFAARO CC(C)[C@H](CO)[N@H+](Cc1ccno1)Cc1ccccc1 ZINC000096424418 517474420 /nfs/dbraw/zinc/47/44/20/517474420.db2.gz VNBIIYQPRLVNJC-INIZCTEOSA-N 1 0 274.364 2.694 50 0 CFAARO C/C(=C/C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)c1ccc(F)cc1F ZINC000154274838 518409613 /nfs/dbraw/zinc/40/96/13/518409613.db2.gz QGWYFDQXQCYLFW-AUSWNFFYSA-N 1 0 294.345 2.577 50 0 CFAARO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C)cc1C ZINC000244734349 522194891 /nfs/dbraw/zinc/19/48/91/522194891.db2.gz NDYMOTGQDAHZLB-NVXWUHKLSA-N 1 0 288.435 2.981 50 0 CFAARO CC[C@H](C[NH2+][C@H]1CCC(=O)NC12CCC2)c1ccccc1 ZINC000339001035 522200401 /nfs/dbraw/zinc/20/04/01/522200401.db2.gz YDIZJESHDGKBOM-ZBFHGGJFSA-N 1 0 286.419 2.971 50 0 CFAARO C[C@H]([NH2+]CCOc1cccnc1)c1ccc2c(c1)OCO2 ZINC000096477701 525359778 /nfs/dbraw/zinc/35/97/78/525359778.db2.gz KKYVMLCCJUZRPK-LBPRGKRZSA-N 1 0 286.331 2.540 50 0 CFAARO Cc1ccc([C@@H](C)CC[N@H+](C)CCc2cnn(C)c2)o1 ZINC000214997846 525681402 /nfs/dbraw/zinc/68/14/02/525681402.db2.gz LMDAUJAYSVGLSL-ZDUSSCGKSA-N 1 0 275.396 2.990 50 0 CFAARO Cc1ccc([C@H]([NH3+])C(=O)N(C)Cc2ccccc2F)cc1 ZINC000228076347 525961620 /nfs/dbraw/zinc/96/16/20/525961620.db2.gz TYVDICPBWRJTRJ-INIZCTEOSA-N 1 0 286.350 2.793 50 0 CFAARO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000019871942 526020996 /nfs/dbraw/zinc/02/09/96/526020996.db2.gz CFQBWJYFTBZXFR-MRXNPFEDSA-N 1 0 257.333 2.518 50 0 CFAARO COc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1 ZINC000019871899 526031484 /nfs/dbraw/zinc/03/14/84/526031484.db2.gz MHEHZSWZFJUYMH-GUYCJALGSA-N 1 0 271.360 2.907 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccon2)CC1 ZINC000096500020 526405167 /nfs/dbraw/zinc/40/51/67/526405167.db2.gz WGFMRAYQPUNPMJ-LBPRGKRZSA-N 1 0 295.383 2.554 50 0 CFAARO c1cc(CCC[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccn1 ZINC000360454382 526419647 /nfs/dbraw/zinc/41/96/47/526419647.db2.gz IXIBEJNPDWFQJU-HZPDHXFCSA-N 1 0 260.381 2.515 50 0 CFAARO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158503162 526774769 /nfs/dbraw/zinc/77/47/69/526774769.db2.gz NHUMIOUMJAXROQ-LBPRGKRZSA-N 1 0 293.436 2.672 50 0 CFAARO Cn1c(C[NH2+][C@@H]2CCCSC2)nc2ccccc21 ZINC000135696298 527062806 /nfs/dbraw/zinc/06/28/06/527062806.db2.gz LRYFBVFHQBEXEP-LLVKDONJSA-N 1 0 261.394 2.559 50 0 CFAARO Cn1ccnc1C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000335035375 527437051 /nfs/dbraw/zinc/43/70/51/527437051.db2.gz OKFXSPQRBKBEND-MRXNPFEDSA-N 1 0 255.365 2.761 50 0 CFAARO OCC[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000161586946 527571406 /nfs/dbraw/zinc/57/14/06/527571406.db2.gz HSMUVKQKFIACGY-GFCCVEGCSA-N 1 0 284.197 2.653 50 0 CFAARO CCCC1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCC1 ZINC000096466993 528050881 /nfs/dbraw/zinc/05/08/81/528050881.db2.gz YOWVVXKTGVHWFG-UHFFFAOYSA-N 1 0 293.455 2.883 50 0 CFAARO CC(C)Cc1cnc(NC(=O)N2CCC[N@H+](C)CC2)s1 ZINC000096499967 528661662 /nfs/dbraw/zinc/66/16/62/528661662.db2.gz DHDZSXFFAVWXEM-UHFFFAOYSA-N 1 0 296.440 2.511 50 0 CFAARO COc1ccccc1/C=C/C[NH2+]CCCn1ccnc1C ZINC000263829842 536980973 /nfs/dbraw/zinc/98/09/73/536980973.db2.gz UVUDJSQDCVQUEJ-VMPITWQZSA-N 1 0 285.391 2.893 50 0 CFAARO O=C1CCC2(CC[NH+](CCCC(F)(F)F)CC2)CCN1 ZINC000670452403 570400761 /nfs/dbraw/zinc/40/07/61/570400761.db2.gz DWHJXWPEMOHKSP-UHFFFAOYSA-N 1 0 292.345 2.711 50 0 CFAARO CC(C)Cc1nc(C2CC[NH2+]CC2)n(CC(F)(F)F)n1 ZINC000952974960 614232671 /nfs/dbraw/zinc/23/26/71/614232671.db2.gz XKYXHCNOSWGOIE-UHFFFAOYSA-N 1 0 290.333 2.506 50 0 CFAARO CCN(Cc1[nH]nc(C)c1Cl)C[C@H]1CC[N@H+](CC)C1 ZINC000952987232 615270845 /nfs/dbraw/zinc/27/08/45/615270845.db2.gz JHMFDNSGEUOZIJ-LBPRGKRZSA-N 1 0 284.835 2.535 50 0 CFAARO CC[C@@H](C(=O)NC1(C2CCCC2)CC1)[N@H+](C)CC ZINC000952965662 615380225 /nfs/dbraw/zinc/38/02/25/615380225.db2.gz FTMNLNJVKRTQLA-ZDUSSCGKSA-N 1 0 252.402 2.556 50 0 CFAARO Cc1ccc(OCCCCC[NH+]2CCOCC2)cc1 ZINC000022782319 617886963 /nfs/dbraw/zinc/88/69/63/617886963.db2.gz ASGDFLKCEPFZBM-UHFFFAOYSA-N 1 0 263.381 2.876 50 0 CFAARO C[C@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1ccc(F)cc1F ZINC000022078313 617962538 /nfs/dbraw/zinc/96/25/38/617962538.db2.gz CCKDFFOOFQYJFW-NHYWBVRUSA-N 1 0 266.335 2.633 50 0 CFAARO Cc1ccccc1OCCCCCC[NH2+]CCO ZINC000002899280 618083865 /nfs/dbraw/zinc/08/38/65/618083865.db2.gz BQSOACKEGPHPNH-UHFFFAOYSA-N 1 0 251.370 2.516 50 0 CFAARO Cc1ccnn1CCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000023153656 618126166 /nfs/dbraw/zinc/12/61/66/618126166.db2.gz OJSBEWAFZNQBFP-UHFFFAOYSA-N 1 0 299.418 2.565 50 0 CFAARO CCN(CC[NH+](C)C)Cc1ccc(OC(F)(F)F)cc1 ZINC000022455150 618184857 /nfs/dbraw/zinc/18/48/57/618184857.db2.gz ODYPLIFHPMQZNB-UHFFFAOYSA-N 1 0 290.329 2.969 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CC[C@H](c2ccnn2C)C1 ZINC000888094230 619130274 /nfs/dbraw/zinc/13/02/74/619130274.db2.gz XOEMZAREGJRMNE-NWDGAFQWSA-N 1 0 276.409 2.611 50 0 CFAARO Cc1cc(F)c(C(=O)N2[C@H](C)C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000888095687 619131058 /nfs/dbraw/zinc/13/10/58/619131058.db2.gz BNFNPRHBSGNQIO-ZSBIGDGJSA-N 1 0 296.361 2.861 50 0 CFAARO CCc1ccc(-c2noc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000874435603 624452809 /nfs/dbraw/zinc/45/28/09/624452809.db2.gz ZBOZJJQAESKKLQ-GJZGRUSLSA-N 1 0 299.374 2.835 50 0 CFAARO Cc1cccc(C2([NH2+]CC(=O)NC3CC3)CCCC2)c1 ZINC000072962934 625748238 /nfs/dbraw/zinc/74/82/38/625748238.db2.gz BRASZLNFBSDAJD-UHFFFAOYSA-N 1 0 272.392 2.633 50 0 CFAARO CCC[NH2+]CC[C@@H]1CCC(=O)N1CCc1cccs1 ZINC000011782782 626187836 /nfs/dbraw/zinc/18/78/36/626187836.db2.gz DUIYIZNJQRWKJW-ZDUSSCGKSA-N 1 0 280.437 2.671 50 0 CFAARO COCCN1CC[N@H+](C[C@H](C)CCC=C(C)C)CCC1=O ZINC000012000177 626225133 /nfs/dbraw/zinc/22/51/33/626225133.db2.gz KNGJKEHMVUYHPE-MRXNPFEDSA-N 1 0 296.455 2.550 50 0 CFAARO C[C@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)Cc2c[nH]nc21 ZINC000864090968 637871598 /nfs/dbraw/zinc/87/15/98/637871598.db2.gz HMXSKMMREFBLMP-JSGCOSHPSA-N 1 0 275.396 2.821 50 0 CFAARO CC1(C)CC([NH2+]CC[C@H]2CCC(=O)N2)CC(C)(C)C1 ZINC000952961780 650790076 /nfs/dbraw/zinc/79/00/76/650790076.db2.gz BHWQTXYRKVJWCO-GFCCVEGCSA-N 1 0 266.429 2.850 50 0 CFAARO Cc1cc(N2CC[C@H]([NH+](C)C)[C@@H]2C)nc(C2CCC2)n1 ZINC000928996274 648971973 /nfs/dbraw/zinc/97/19/73/648971973.db2.gz RBXNXRCRADDVQU-JSGCOSHPSA-N 1 0 274.412 2.581 50 0 CFAARO CC(C)(C)n1nc(-c2ccccc2)nc1C[NH2+]C1CC1 ZINC000822288463 781896428 /nfs/dbraw/zinc/89/64/28/781896428.db2.gz LYCFKVGOAYAWGQ-UHFFFAOYSA-N 1 0 270.380 2.952 50 0 CFAARO CC[C@@H](C(=O)NC(C)(C)c1ccc(OC)cc1)[N@H+](C)CC ZINC000822549785 781903809 /nfs/dbraw/zinc/90/38/09/781903809.db2.gz IATZBYLRBFGJTH-HNNXBMFYSA-N 1 0 292.423 2.777 50 0 CFAARO CCCCCc1nc(C2CC[NH2+]CC2)n(-c2ccncc2)n1 ZINC000822859141 781913090 /nfs/dbraw/zinc/91/30/90/781913090.db2.gz UTXPSSMJGRJNAQ-UHFFFAOYSA-N 1 0 299.422 2.862 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000096444937 230374178 /nfs/dbraw/zinc/37/41/78/230374178.db2.gz MRCUNSDWLKCRET-ZBEGNZNMSA-N 1 0 280.412 2.958 50 0 CFAARO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000096455391 230376950 /nfs/dbraw/zinc/37/69/50/230376950.db2.gz XIDONBDAAGSXFC-CQSZACIVSA-N 1 0 291.395 2.523 50 0 CFAARO C[C@@H](c1ccc(-c2ccc(N(C)C)nn2)cc1)[NH+](C)C ZINC000097657283 230387126 /nfs/dbraw/zinc/38/71/26/230387126.db2.gz BGIXHGMKJAGIHA-LBPRGKRZSA-N 1 0 270.380 2.832 50 0 CFAARO CC(C)[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1[NH+](C)C ZINC000095501311 184999870 /nfs/dbraw/zinc/99/98/70/184999870.db2.gz XPFWEORAQKGDLI-XJKSGUPXSA-N 1 0 284.407 2.652 50 0 CFAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1=CCCCC1 ZINC000098013168 230390183 /nfs/dbraw/zinc/39/01/83/230390183.db2.gz HQINMAFRBSYHGB-HIFRSBDPSA-N 1 0 264.413 2.676 50 0 CFAARO O=C1NCCCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000000757641 230366650 /nfs/dbraw/zinc/36/66/50/230366650.db2.gz RREHWQZQQPUIRS-OFLPRAFFSA-N 1 0 286.419 2.971 50 0 CFAARO Cc1ccc(F)c(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000095517278 185002791 /nfs/dbraw/zinc/00/27/91/185002791.db2.gz IQCYYHOGOYYIQD-MRXNPFEDSA-N 1 0 291.370 2.694 50 0 CFAARO Cc1ccc(Br)cc1C[NH2+]Cc1cncn1C ZINC000190296250 230395983 /nfs/dbraw/zinc/39/59/83/230395983.db2.gz HBMSQPYGNIIADF-UHFFFAOYSA-N 1 0 294.196 2.781 50 0 CFAARO CC[N@@H+]1CC=C(c2ccccc2)[C@H](C(=O)OC(C)C)C1 ZINC000095918269 185030667 /nfs/dbraw/zinc/03/06/67/185030667.db2.gz FBQJAOUCQBHKHA-MRXNPFEDSA-N 1 0 273.376 2.973 50 0 CFAARO CC(C)(C)OC(=O)Nc1cccc(CCC[NH3+])c1 ZINC000095936266 185034511 /nfs/dbraw/zinc/03/45/11/185034511.db2.gz ZTYXSCZVMQHFQU-UHFFFAOYSA-N 1 0 250.342 2.925 50 0 CFAARO O=C(OCC[NH+]1CCCCC1)c1cccc2cc[nH]c21 ZINC000095942961 185037261 /nfs/dbraw/zinc/03/72/61/185037261.db2.gz STPRSQVDVVCLRU-UHFFFAOYSA-N 1 0 272.348 2.811 50 0 CFAARO CC(C)N(CC[NH+](C)C)c1ncnc2cc(F)c(F)cc21 ZINC000095945009 185037986 /nfs/dbraw/zinc/03/79/86/185037986.db2.gz KSRXEMCIUPBPBP-UHFFFAOYSA-N 1 0 294.349 2.684 50 0 CFAARO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCCc1cnn(C)c1 ZINC000095967626 185046416 /nfs/dbraw/zinc/04/64/16/185046416.db2.gz YHXSKPRQMOTPRD-ZDUSSCGKSA-N 1 0 275.371 2.713 50 0 CFAARO CCN(CC)C(=O)C[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000095967455 185046757 /nfs/dbraw/zinc/04/67/57/185046757.db2.gz OXFFSZNIIIZQFK-MRXNPFEDSA-N 1 0 294.414 2.851 50 0 CFAARO CC(C)N1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1=O ZINC000095987464 185056780 /nfs/dbraw/zinc/05/67/80/185056780.db2.gz MVBDHEHWANBXLP-CVEARBPZSA-N 1 0 272.392 2.737 50 0 CFAARO C[C@@H]1[C@@H]([NH2+]CC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000096009147 185063733 /nfs/dbraw/zinc/06/37/33/185063733.db2.gz ZAGCVPRKKFBIMS-QEJZJMRPSA-N 1 0 274.408 2.683 50 0 CFAARO CCc1nc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)co1 ZINC000096013678 185065985 /nfs/dbraw/zinc/06/59/85/185065985.db2.gz HMLMMPDZUTVDMI-CYBMUJFWSA-N 1 0 293.411 2.621 50 0 CFAARO NC(=O)c1cccc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000096035644 185068847 /nfs/dbraw/zinc/06/88/47/185068847.db2.gz WPVVQMYLNHBDRH-UITAMQMPSA-N 1 0 266.344 2.589 50 0 CFAARO C/C=C/C=C\C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096646111 185108743 /nfs/dbraw/zinc/10/87/43/185108743.db2.gz HYZDDNDIURHURR-GQICYRDHSA-N 1 0 284.403 2.900 50 0 CFAARO C[C@@H](C(=O)N(C)C)[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000096967903 185143475 /nfs/dbraw/zinc/14/34/75/185143475.db2.gz GJUGZSLNOHHRMS-ORVZXPRGSA-N 1 0 278.440 2.611 50 0 CFAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(F)c(F)c1F ZINC000097019699 185152912 /nfs/dbraw/zinc/15/29/12/185152912.db2.gz YSZZZLPYBOFQIP-LLVKDONJSA-N 1 0 288.313 2.549 50 0 CFAARO C[NH2+][C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc32)C1 ZINC000097019447 185153198 /nfs/dbraw/zinc/15/31/98/185153198.db2.gz SEOJPNORNSIDNB-CYBMUJFWSA-N 1 0 295.386 2.546 50 0 CFAARO Cc1c2cccc(C)c2oc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000125506473 187188146 /nfs/dbraw/zinc/18/81/46/187188146.db2.gz STVBPYKKRVRSSL-UHFFFAOYSA-N 1 0 286.375 2.874 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2CC)o1 ZINC000069624061 346897324 /nfs/dbraw/zinc/89/73/24/346897324.db2.gz CIVVQHRXKYUSAJ-CABCVRRESA-N 1 0 290.407 2.931 50 0 CFAARO CC[C@@H](CSc1ccccc1)[NH2+][C@@H]1CCOC1 ZINC000096490341 529534397 /nfs/dbraw/zinc/53/43/97/529534397.db2.gz XUCITKOZEUFPRO-QWHCGFSZSA-N 1 0 251.395 2.936 50 0 CFAARO C[C@@H](c1ccncc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072277650 346924720 /nfs/dbraw/zinc/92/47/20/346924720.db2.gz QHJVVSCIOFLWDT-JSGCOSHPSA-N 1 0 256.353 2.745 50 0 CFAARO c1cc([C@H]2CCC[N@@H+](CCc3ccc4c(c3)CCO4)C2)n[nH]1 ZINC000072299793 346925628 /nfs/dbraw/zinc/92/56/28/346925628.db2.gz LCXDHTKSDWIDPY-INIZCTEOSA-N 1 0 297.402 2.767 50 0 CFAARO Cc1ccc(NC(=O)N(C)CCCC[NH+](C)C)cc1 ZINC000072305866 346925389 /nfs/dbraw/zinc/92/53/89/346925389.db2.gz HTVWRFJFQWKARG-UHFFFAOYSA-N 1 0 263.385 2.801 50 0 CFAARO CCCC(CCC)[NH2+]CCNC(=O)c1ccccc1 ZINC000075094264 347054610 /nfs/dbraw/zinc/05/46/10/347054610.db2.gz HZPLSVMVWVHVIP-UHFFFAOYSA-N 1 0 262.397 2.975 50 0 CFAARO Cc1cccn2cc(C[NH2+][C@@H](C)[C@H](C)n3cccn3)nc12 ZINC000075606821 347086190 /nfs/dbraw/zinc/08/61/90/347086190.db2.gz WPGREUMKBZEQGF-KBPBESRZSA-N 1 0 283.379 2.579 50 0 CFAARO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc(C2CC2)n1 ZINC000096407642 232179498 /nfs/dbraw/zinc/17/94/98/232179498.db2.gz UUDYFMYWVPSFCC-UONOGXRCSA-N 1 0 272.396 2.701 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1ccnn1C ZINC000097145328 185548689 /nfs/dbraw/zinc/54/86/89/185548689.db2.gz RSJQKFSADQOBHK-AWEZNQCLSA-N 1 0 285.391 2.638 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000097159370 185551822 /nfs/dbraw/zinc/55/18/22/185551822.db2.gz BDEXEGVNLUGFAH-UHFFFAOYSA-N 1 0 299.418 2.865 50 0 CFAARO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1F ZINC000127525657 187313042 /nfs/dbraw/zinc/31/30/42/187313042.db2.gz UEINJFVZUPXLOU-UHFFFAOYSA-N 1 0 290.382 2.738 50 0 CFAARO NC(=O)[C@@H]1CCC[N@@H+](C2CCC(c3ccccc3)CC2)C1 ZINC000000757707 346205809 /nfs/dbraw/zinc/20/58/09/346205809.db2.gz MIXLSCIIKYNRLB-AQFXKWCLSA-N 1 0 286.419 2.910 50 0 CFAARO Cc1ncc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)s1 ZINC000090402085 539531461 /nfs/dbraw/zinc/53/14/61/539531461.db2.gz GILSDBOUJHOCLQ-VIFPVBQESA-N 1 0 290.392 2.793 50 0 CFAARO C(=C1\CCc2cnc3scn[n+]3c21)\c1ccccc1 ZINC000005733683 346212574 /nfs/dbraw/zinc/21/25/74/346212574.db2.gz PMNLVWMPRBZKOM-XYOKQWHBSA-N 1 0 266.349 2.764 50 0 CFAARO C[C@@H]1[C@H]2CCC[N@@H+]2CCN1Cc1cc(F)ccc1F ZINC000022078404 346247998 /nfs/dbraw/zinc/24/79/98/346247998.db2.gz HJBQVDKHMZTIHJ-IAQYHMDHSA-N 1 0 266.335 2.633 50 0 CFAARO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@@H]21 ZINC000085671093 179110998 /nfs/dbraw/zinc/11/09/98/179110998.db2.gz VDNVGQSYVUISIU-MAZHCROVSA-N 1 0 289.375 2.709 50 0 CFAARO Cn1nccc1CC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000241466170 136592360 /nfs/dbraw/zinc/59/23/60/136592360.db2.gz NVFTWMLIRHOSIU-GOSISDBHSA-N 1 0 298.434 2.563 50 0 CFAARO COc1ccc(OCC[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000061784257 346683763 /nfs/dbraw/zinc/68/37/63/346683763.db2.gz SQZLGXOYWQNKCE-MRXNPFEDSA-N 1 0 279.380 2.575 50 0 CFAARO Cc1cc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc[nH+]1 ZINC000274336835 136628454 /nfs/dbraw/zinc/62/84/54/136628454.db2.gz HDSYYSHNEJAIRO-AWEZNQCLSA-N 1 0 298.390 2.622 50 0 CFAARO COCC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000079072720 347287779 /nfs/dbraw/zinc/28/77/79/347287779.db2.gz KHLQHOPMWPBJIP-LLVKDONJSA-N 1 0 284.787 2.635 50 0 CFAARO c1ccc2sc(CCC[NH2+][C@H]3CCOC3)nc2c1 ZINC000088671173 347506463 /nfs/dbraw/zinc/50/64/63/347506463.db2.gz YLXMTHOUSRBVOY-NSHDSACASA-N 1 0 262.378 2.607 50 0 CFAARO c1ccc2sc(CCC[NH2+][C@@H]3CCOC3)nc2c1 ZINC000088671172 347506550 /nfs/dbraw/zinc/50/65/50/347506550.db2.gz YLXMTHOUSRBVOY-LLVKDONJSA-N 1 0 262.378 2.607 50 0 CFAARO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2ccc(Cl)o2)cn1 ZINC000089755304 347527635 /nfs/dbraw/zinc/52/76/35/347527635.db2.gz NZCCUSQVWCTTST-YGRLFVJLSA-N 1 0 295.770 2.534 50 0 CFAARO CCC(C)(C)C[NH2+]C[C@H]1CCO[C@H]1c1cnn(C)c1 ZINC000089941996 347532647 /nfs/dbraw/zinc/53/26/47/347532647.db2.gz VNCYLICWGWIPJN-TZMCWYRMSA-N 1 0 265.401 2.524 50 0 CFAARO CCCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)[C@@H]1C ZINC000095882822 347699037 /nfs/dbraw/zinc/69/90/37/347699037.db2.gz AUMQUVNLMMEFEG-CJNGLKHVSA-N 1 0 261.365 2.949 50 0 CFAARO CC(C)(C)OC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000095987305 347699845 /nfs/dbraw/zinc/69/98/45/347699845.db2.gz JTSGKUCIMRKQHK-IAGOWNOFSA-N 1 0 289.419 2.924 50 0 CFAARO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1CC[N@H+]3CCO2 ZINC000096027997 347700288 /nfs/dbraw/zinc/70/02/88/347700288.db2.gz QPFORCJJDFGHAV-BLLLJJGKSA-N 1 0 259.349 2.876 50 0 CFAARO CCOc1ccccc1NC(=O)N(CC)CC[NH+](C)C ZINC000096027341 347700308 /nfs/dbraw/zinc/70/03/08/347700308.db2.gz IKOMMGQVGUQSQW-UHFFFAOYSA-N 1 0 279.384 2.501 50 0 CFAARO CCOC(=O)[C@@]1([NH+]2CCCCC2)CCC[C@@H](C)C1 ZINC000096026500 347700328 /nfs/dbraw/zinc/70/03/28/347700328.db2.gz VEMHIJAWDWPELQ-UKRRQHHQSA-N 1 0 253.386 2.984 50 0 CFAARO CCCC[NH2+]C[C@H]1COc2c(Cl)cccc2C1=O ZINC000096026775 347700448 /nfs/dbraw/zinc/70/04/48/347700448.db2.gz VMPTYONPMWDYDY-JTQLQIEISA-N 1 0 267.756 2.921 50 0 CFAARO COC(=O)NCCCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000096027360 347700660 /nfs/dbraw/zinc/70/06/60/347700660.db2.gz TYEXSNSCDAMGCR-BETUJISGSA-N 1 0 256.390 2.776 50 0 CFAARO Fc1ccc(F)c([C@H]([NH2+]CCn2ccnc2)C2CC2)c1 ZINC000097230952 347707631 /nfs/dbraw/zinc/70/76/31/347707631.db2.gz OJELWRADIROJJS-OAHLLOKOSA-N 1 0 277.318 2.902 50 0 CFAARO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000097373003 347708790 /nfs/dbraw/zinc/70/87/90/347708790.db2.gz FRRPKHYAGQYJEL-TZMCWYRMSA-N 1 0 262.401 2.810 50 0 CFAARO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000097374115 347709671 /nfs/dbraw/zinc/70/96/71/347709671.db2.gz UEYKUYOQHGHUJN-XUJVJEKNSA-N 1 0 294.370 2.618 50 0 CFAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC000110632159 347749090 /nfs/dbraw/zinc/74/90/90/347749090.db2.gz JAQHZORBDHAHRD-OLZOCXBDSA-N 1 0 280.437 2.652 50 0 CFAARO CN1CC[C@H](C[NH2+][C@H]2CCSC2)c2ccccc21 ZINC000110709491 347749973 /nfs/dbraw/zinc/74/99/73/347749973.db2.gz MANVLYJMQPELGV-OLZOCXBDSA-N 1 0 262.422 2.705 50 0 CFAARO COc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1Cl ZINC000086595834 179311038 /nfs/dbraw/zinc/31/10/38/179311038.db2.gz MJPBHRBRHMMATH-QWRGUYRKSA-N 1 0 268.788 2.531 50 0 CFAARO C[C@H]1CC(C)(C)C[C@@]([NH3+])(CNC(=O)NC(C)(C)C)C1 ZINC000725255208 539587811 /nfs/dbraw/zinc/58/78/11/539587811.db2.gz WIEPZUUBMGAKNS-XHDPSFHLSA-N 1 0 269.433 2.628 50 0 CFAARO CC(=O)NCC[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000119599668 539587835 /nfs/dbraw/zinc/58/78/35/539587835.db2.gz RVEQHLLKJKHPPP-IAOVAPTHSA-N 1 0 274.408 2.685 50 0 CFAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1nnc2ccccn21 ZINC000133953872 347894955 /nfs/dbraw/zinc/89/49/55/347894955.db2.gz NIGRNIMYOVEBMV-HUUCEWRRSA-N 1 0 284.407 2.854 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C/c2ccc(C)cc2C)C1 ZINC000159057778 348010628 /nfs/dbraw/zinc/01/06/28/348010628.db2.gz YFTUVEZDXAMBFG-FDMDGMSGSA-N 1 0 286.419 2.775 50 0 CFAARO C[NH2+]CC(=O)Nc1ccc(C)cc1SC(F)(F)F ZINC000154327529 347979023 /nfs/dbraw/zinc/97/90/23/347979023.db2.gz YJUZQDSJQGBFLJ-UHFFFAOYSA-N 1 0 278.299 2.765 50 0 CFAARO Cc1cccc(OC2CC[NH+](Cc3cccn3C)CC2)n1 ZINC000154387941 347980123 /nfs/dbraw/zinc/98/01/23/347980123.db2.gz YEIVEQBBAHBRSO-UHFFFAOYSA-N 1 0 285.391 2.772 50 0 CFAARO COC1(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CCOCC1 ZINC000183154930 348126420 /nfs/dbraw/zinc/12/64/20/348126420.db2.gz GBXXBNCFFVBWGK-BFHYXJOUSA-N 1 0 255.402 2.596 50 0 CFAARO COc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)ccc1O ZINC000194974994 348145212 /nfs/dbraw/zinc/14/52/12/348145212.db2.gz YVKCVJXREGYMHJ-QWRGUYRKSA-N 1 0 267.394 2.727 50 0 CFAARO CC(C)[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000195554905 348145978 /nfs/dbraw/zinc/14/59/78/348145978.db2.gz JACSAWZUPZJUBC-OAHLLOKOSA-N 1 0 296.361 2.778 50 0 CFAARO Cc1[nH+]c(N2CCCC2)ccc1NC1CCOCC1 ZINC000195551676 348146143 /nfs/dbraw/zinc/14/61/43/348146143.db2.gz IKWFGJGQBHPBOC-UHFFFAOYSA-N 1 0 261.369 2.581 50 0 CFAARO COc1cccc(OCC[NH2+][C@H]2CCS[C@H]2C)c1 ZINC000195573177 348147408 /nfs/dbraw/zinc/14/74/08/348147408.db2.gz IEVQCVNYZLAGPE-FZMZJTMJSA-N 1 0 267.394 2.558 50 0 CFAARO Cc1cc(Cl)ccc1C[NH2+]CCNC(=O)C(C)C ZINC000128729031 187387388 /nfs/dbraw/zinc/38/73/88/187387388.db2.gz WKRDCDXJTPCAGN-UHFFFAOYSA-N 1 0 268.788 2.510 50 0 CFAARO CN(C)CC1([NH2+]CCCOc2ccccc2)CCC1 ZINC000281293928 348342495 /nfs/dbraw/zinc/34/24/95/348342495.db2.gz HBXAHZQSMMJVIG-UHFFFAOYSA-N 1 0 262.397 2.529 50 0 CFAARO Cc1cnc([C@@H](C)NCCOc2ccc(C#N)cc2)o1 ZINC000390833999 348544043 /nfs/dbraw/zinc/54/40/43/348544043.db2.gz QFJFHTKIFBLDJZ-GFCCVEGCSA-N 1 0 271.320 2.584 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000409421163 348600386 /nfs/dbraw/zinc/60/03/86/348600386.db2.gz SPEXGPKRXIUERJ-CYBMUJFWSA-N 1 0 285.347 2.749 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000409421176 348600434 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348731680 /nfs/dbraw/zinc/73/16/80/348731680.db2.gz FPSNAKXUIUNKAA-LLVKDONJSA-N 1 0 271.455 2.607 50 0 CFAARO Cc1nnc(NCC2(C[NH+]3CCCC3)CC2)c2ccccc12 ZINC000584900320 348731732 /nfs/dbraw/zinc/73/17/32/348731732.db2.gz CDRGXJCKHMNJRD-UHFFFAOYSA-N 1 0 296.418 2.648 50 0 CFAARO CCN(C(=O)Nc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000585137258 348736251 /nfs/dbraw/zinc/73/62/51/348736251.db2.gz PBFQGJLGWUTVDY-UHFFFAOYSA-N 1 0 279.359 2.774 50 0 CFAARO CC(C)Cc1ccc(C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000088722283 179659084 /nfs/dbraw/zinc/65/90/84/179659084.db2.gz YNLTUTYXAKXAIY-UHFFFAOYSA-N 1 0 289.423 2.518 50 0 CFAARO Cn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000075552428 539704608 /nfs/dbraw/zinc/70/46/08/539704608.db2.gz AEKKZJYKWWVKCO-OAHLLOKOSA-N 1 0 295.390 2.676 50 0 CFAARO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000090411744 179982319 /nfs/dbraw/zinc/98/23/19/179982319.db2.gz HUUZELUZOSVQSX-NWDGAFQWSA-N 1 0 281.425 2.511 50 0 CFAARO C[C@H]([NH2+]Cc1ccnc(OC2CCC2)c1)c1cnn(C)c1 ZINC000090911901 180063338 /nfs/dbraw/zinc/06/33/38/180063338.db2.gz YLIDTIXLAUKGGV-LBPRGKRZSA-N 1 0 286.379 2.597 50 0 CFAARO COC[C@]1(O)CC[N@H+](Cc2ccc(F)c(C)c2)CC1(C)C ZINC000091289620 180121823 /nfs/dbraw/zinc/12/18/23/180121823.db2.gz FGIUQMJCVQYRKM-QGZVFWFLSA-N 1 0 295.398 2.744 50 0 CFAARO CCC[C@H](CNc1nc(C)nc(C)c1C)[NH+](C)C ZINC000091425868 180152176 /nfs/dbraw/zinc/15/21/76/180152176.db2.gz APDYRQCZRYMXQX-CYBMUJFWSA-N 1 0 250.390 2.544 50 0 CFAARO CC(C)=CC[C@]1(CO)CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC000091426780 180152326 /nfs/dbraw/zinc/15/23/26/180152326.db2.gz STLMIMBWGQHRDQ-QGZVFWFLSA-N 1 0 289.423 2.716 50 0 CFAARO COc1cccc(OC)c1C[N@@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000091574726 180197188 /nfs/dbraw/zinc/19/71/88/180197188.db2.gz SLOHNFLKCGNWID-KRWDZBQOSA-N 1 0 293.407 2.687 50 0 CFAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1c(F)cccc1Cl ZINC000091587367 180200078 /nfs/dbraw/zinc/20/00/78/180200078.db2.gz WANZKZDQFCENDI-CQSZACIVSA-N 1 0 298.789 2.970 50 0 CFAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(Cl)cc2)C[C@H]1C ZINC000091593138 180201656 /nfs/dbraw/zinc/20/16/56/180201656.db2.gz VWJCJUYTQCSHAL-CZUORRHYSA-N 1 0 297.826 2.949 50 0 CFAARO c1cc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)ncn1 ZINC000091535064 180182442 /nfs/dbraw/zinc/18/24/42/180182442.db2.gz HVNNLFREMGZNPY-ZDUSSCGKSA-N 1 0 260.385 2.543 50 0 CFAARO CC[C@@H](Nc1cc(C)[nH+]c(N)n1)c1cc(C)ccn1 ZINC000091649722 180216519 /nfs/dbraw/zinc/21/65/19/180216519.db2.gz POKVLZRRSDSYBF-LLVKDONJSA-N 1 0 257.341 2.634 50 0 CFAARO CC(C)[C@@H]1CN(c2ncc(Cl)cc2F)C[C@H]1[NH+](C)C ZINC000091664126 180220952 /nfs/dbraw/zinc/22/09/52/180220952.db2.gz XDALLEFZTMRIIF-WCQYABFASA-N 1 0 285.794 2.897 50 0 CFAARO CC[N@H+](C)C1(CNc2ncnc(C)c2C)CCCC1 ZINC000091691474 180227441 /nfs/dbraw/zinc/22/74/41/180227441.db2.gz CFTICYXZDXQIMA-UHFFFAOYSA-N 1 0 262.401 2.770 50 0 CFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1F)C2 ZINC000091616716 180209087 /nfs/dbraw/zinc/20/90/87/180209087.db2.gz POUSOESHVMOWGM-ZIAGYGMSSA-N 1 0 290.382 2.772 50 0 CFAARO CCCc1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)o1 ZINC000091756794 180247412 /nfs/dbraw/zinc/24/74/12/180247412.db2.gz ZKXLIUHIXVBBCK-DOMZBBRYSA-N 1 0 251.370 2.825 50 0 CFAARO CCC[C@H]1CN(C(=O)c2cc(C)ccc2C)C[C@@H]1[NH3+] ZINC000092077699 180318307 /nfs/dbraw/zinc/31/83/07/180318307.db2.gz YFHGWMKVBXGGPM-ZFWWWQNUSA-N 1 0 260.381 2.503 50 0 CFAARO Cc1nc(NCCCc2ccccc2F)cc(N)[nH+]1 ZINC000092081299 180319578 /nfs/dbraw/zinc/31/95/78/180319578.db2.gz JNCNZMOZLKVXEC-UHFFFAOYSA-N 1 0 260.316 2.551 50 0 CFAARO C[N@H+](Cc1ccc([S@](C)=O)cc1)CC(C)(C)C ZINC000092217715 180345356 /nfs/dbraw/zinc/34/53/56/180345356.db2.gz ICOWFYMUAWOKIW-QGZVFWFLSA-N 1 0 253.411 2.902 50 0 CFAARO CC(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106135346 186103667 /nfs/dbraw/zinc/10/36/67/186103667.db2.gz KJUMQUAIEXQQOC-HIFRSBDPSA-N 1 0 260.381 2.594 50 0 CFAARO OCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000106622403 186128911 /nfs/dbraw/zinc/12/89/11/186128911.db2.gz FKACIXYDVJEAQW-GJZGRUSLSA-N 1 0 283.799 2.610 50 0 CFAARO CC1(C)[C@H]([NH2+]CCCn2ccnn2)C[C@@H]1c1ccccc1 ZINC000124074608 187121169 /nfs/dbraw/zinc/12/11/69/187121169.db2.gz GFVGLTCLJPGYBN-HZPDHXFCSA-N 1 0 284.407 2.840 50 0 CFAARO CSCc1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1F ZINC000131013676 187535637 /nfs/dbraw/zinc/53/56/37/187535637.db2.gz VDRZQZXNUAXKBV-CYBMUJFWSA-N 1 0 296.411 2.642 50 0 CFAARO CSCc1cc(C(=O)N2CCCC[C@H]2C[NH3+])ccc1F ZINC000131013864 187535711 /nfs/dbraw/zinc/53/57/11/187535711.db2.gz VDRZQZXNUAXKBV-ZDUSSCGKSA-N 1 0 296.411 2.642 50 0 CFAARO Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000245339292 539978793 /nfs/dbraw/zinc/97/87/93/539978793.db2.gz RTRGTKAPYXMOEE-UAGQMJEPSA-N 1 0 299.418 2.943 50 0 CFAARO c1ccc(NCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000155889529 188233354 /nfs/dbraw/zinc/23/33/54/188233354.db2.gz OTAYSBPENZSOOA-UHFFFAOYSA-N 1 0 290.407 2.764 50 0 CFAARO C[C@H]([NH3+])C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000157833656 188341052 /nfs/dbraw/zinc/34/10/52/188341052.db2.gz YTVGIQLIRPPNBU-JTQLQIEISA-N 1 0 298.839 2.770 50 0 CFAARO FC(F)(F)c1ccnc(N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000067840749 282929238 /nfs/dbraw/zinc/92/92/38/282929238.db2.gz CRAGXTPOIPAHPM-UHFFFAOYSA-N 1 0 285.313 2.680 50 0 CFAARO CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CC[NH2+]CC2 ZINC000685944712 540024125 /nfs/dbraw/zinc/02/41/25/540024125.db2.gz UZSWPXDPTFMZPU-GFCCVEGCSA-N 1 0 268.401 2.632 50 0 CFAARO CCc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2C)cc1 ZINC000083823667 540184692 /nfs/dbraw/zinc/18/46/92/540184692.db2.gz ZQPJJSLVBZHOMH-GUYCJALGSA-N 1 0 274.408 2.596 50 0 CFAARO Cc1cnc(CN(C)[C@H]2CC[N@H+](CC3CCCC3)C2)o1 ZINC000084258816 540198009 /nfs/dbraw/zinc/19/80/09/540198009.db2.gz BDYXNBISACXSQT-HNNXBMFYSA-N 1 0 277.412 2.679 50 0 CFAARO [NH3+]Cc1ccc(C(F)(F)F)cc1Br ZINC000216040234 540222198 /nfs/dbraw/zinc/22/21/98/540222198.db2.gz DMFTZOQOLDWTPA-UHFFFAOYSA-N 1 0 254.049 2.927 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(F)c(F)c2)N1 ZINC000002392057 283270809 /nfs/dbraw/zinc/27/08/09/283270809.db2.gz PIGUXFOZLWMVIW-CYBMUJFWSA-N 1 0 299.284 2.811 50 0 CFAARO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)s1 ZINC000090399555 540361407 /nfs/dbraw/zinc/36/14/07/540361407.db2.gz FMCZLNOFUIMBHH-ZYHUDNBSSA-N 1 0 290.388 2.942 50 0 CFAARO C[C@H]([NH2+]Cc1nsc2ccccc12)[C@@H]1CCOC1 ZINC000585094369 540462143 /nfs/dbraw/zinc/46/21/43/540462143.db2.gz QDZWEEJTEURLJJ-WDEREUQCSA-N 1 0 262.378 2.811 50 0 CFAARO CC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C[C@H]1C ZINC000253618398 540561131 /nfs/dbraw/zinc/56/11/31/540561131.db2.gz YKLWOBFFFWQBEX-KBMXLJTQSA-N 1 0 293.455 2.833 50 0 CFAARO CN1CCC[C@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000675768662 540687498 /nfs/dbraw/zinc/68/74/98/540687498.db2.gz ZTAQURGHGIAELD-ZFWWWQNUSA-N 1 0 260.381 2.584 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C1CCCCC1 ZINC000154260719 296013997 /nfs/dbraw/zinc/01/39/97/296013997.db2.gz GOMCQSSSAKSIBJ-CYBMUJFWSA-N 1 0 260.381 2.695 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000095423895 540724282 /nfs/dbraw/zinc/72/42/82/540724282.db2.gz WMASXRADIXOIQT-CQSZACIVSA-N 1 0 252.402 2.700 50 0 CFAARO Cc1c(C(=O)N2CC[C@@H](C[NH3+])C2)sc2cccc(F)c12 ZINC000178577376 189128186 /nfs/dbraw/zinc/12/81/86/189128186.db2.gz MHBQAQDCJMOPOK-JTQLQIEISA-N 1 0 292.379 2.770 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2C)C1 ZINC000178975414 189158964 /nfs/dbraw/zinc/15/89/64/189158964.db2.gz ZFJBDQVMXLJAKG-GJZGRUSLSA-N 1 0 274.408 2.557 50 0 CFAARO c1[nH]nc2cc(C[NH+]3CCC4(CCOC4)CC3)ccc12 ZINC000585094289 540937809 /nfs/dbraw/zinc/93/78/09/540937809.db2.gz DMSYUMVBDTXGES-UHFFFAOYSA-N 1 0 271.364 2.565 50 0 CFAARO CCOC1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC000670435547 540993224 /nfs/dbraw/zinc/99/32/24/540993224.db2.gz JHLCMDZMDZDZGG-UHFFFAOYSA-N 1 0 259.353 2.564 50 0 CFAARO Cc1cc(C)c(C[N@H+](C)C[C@H]2CCOC2)c(-n2cccn2)c1 ZINC000670437724 540994424 /nfs/dbraw/zinc/99/44/24/540994424.db2.gz QVBNGEQCQNMXLP-MRXNPFEDSA-N 1 0 299.418 2.957 50 0 CFAARO CS[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000670438244 540994431 /nfs/dbraw/zinc/99/44/31/540994431.db2.gz LWRKHGFJNJITPJ-ZDUSSCGKSA-N 1 0 284.469 2.653 50 0 CFAARO Cc1ccc(OCC[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1C ZINC000670442278 540996193 /nfs/dbraw/zinc/99/61/93/540996193.db2.gz RSVWIUALBAQQNK-HNNXBMFYSA-N 1 0 277.408 2.775 50 0 CFAARO C[N@H+](Cc1ccccc1Cl)CC1(CO)CCC1 ZINC000670444875 540997282 /nfs/dbraw/zinc/99/72/82/540997282.db2.gz NOQPCHKTFMTUCK-UHFFFAOYSA-N 1 0 253.773 2.934 50 0 CFAARO OCCC[C@@H]1CCC[N@H+](Cc2cnccc2Cl)C1 ZINC000670446915 540997772 /nfs/dbraw/zinc/99/77/72/540997772.db2.gz LIPRXORIZSZFKV-LBPRGKRZSA-N 1 0 268.788 2.720 50 0 CFAARO C[N@H+](C[C@H]1Cc2ccccc2O1)C1CSCCSC1 ZINC000670454176 541000213 /nfs/dbraw/zinc/00/02/13/541000213.db2.gz MSNUGUGOINLCFL-CQSZACIVSA-N 1 0 295.473 2.771 50 0 CFAARO Fc1ccccc1OC[C@@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000670456183 541001641 /nfs/dbraw/zinc/00/16/41/541001641.db2.gz UVGSTTHOHYKQGB-CYBMUJFWSA-N 1 0 289.354 2.840 50 0 CFAARO Cc1cccc(CC[N@@H+]2CC[C@](O)(c3ccccc3)C2)n1 ZINC000670457274 541001745 /nfs/dbraw/zinc/00/17/45/541001745.db2.gz JLTBTCKTIJZKKA-GOSISDBHSA-N 1 0 282.387 2.526 50 0 CFAARO C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000299739057 540984474 /nfs/dbraw/zinc/98/44/74/540984474.db2.gz JYVUXQUETHOYJZ-YRGRVCCFSA-N 1 0 280.437 2.513 50 0 CFAARO CC(C)(C)C[C@H](NC(=O)C1([NH3+])CCCC1)c1cccnc1 ZINC000670461909 541004612 /nfs/dbraw/zinc/00/46/12/541004612.db2.gz XIMLRQLMYLBASR-AWEZNQCLSA-N 1 0 289.423 2.947 50 0 CFAARO COc1cc(F)c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c(F)c1 ZINC000670465985 541006395 /nfs/dbraw/zinc/00/63/95/541006395.db2.gz NWXWVFBWHJDPHW-JTQLQIEISA-N 1 0 285.334 2.566 50 0 CFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2n1C ZINC000670466913 541006467 /nfs/dbraw/zinc/00/64/67/541006467.db2.gz ZXALSOGOLXRDMZ-WDNDVIMCSA-N 1 0 285.391 2.715 50 0 CFAARO CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000182074102 189313365 /nfs/dbraw/zinc/31/33/65/189313365.db2.gz YPAHDPQOXBJPJQ-YVEFUNNKSA-N 1 0 289.375 2.797 50 0 CFAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1nc2c(s1)CCCC2 ZINC000183584101 189363036 /nfs/dbraw/zinc/36/30/36/189363036.db2.gz JARNQYAYHLWILK-SDDRHHMPSA-N 1 0 278.421 2.610 50 0 CFAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000183578693 189363173 /nfs/dbraw/zinc/36/31/73/189363173.db2.gz YJOVYPZNURZYIP-NTZNESFSSA-N 1 0 281.783 2.936 50 0 CFAARO Cn1c(CCC[NH2+][C@H]2CCCSC2)nc2ccccc21 ZINC000183609807 189364260 /nfs/dbraw/zinc/36/42/60/189364260.db2.gz QYSCANGLZXDUFP-ZDUSSCGKSA-N 1 0 289.448 2.991 50 0 CFAARO C[C@H](C[NH2+]Cc1ccnn1C)c1cccc(Cl)c1 ZINC000187658526 189472572 /nfs/dbraw/zinc/47/25/72/189472572.db2.gz UEPZYVRLORSTPS-LLVKDONJSA-N 1 0 263.772 2.967 50 0 CFAARO Cc1ccc(C(=O)N(C)CCC[NH+]2CCCCCC2)n1C ZINC000215000233 189691298 /nfs/dbraw/zinc/69/12/98/189691298.db2.gz ZKLVXTFGUOIEJM-UHFFFAOYSA-N 1 0 291.439 2.672 50 0 CFAARO CS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000225733247 189763478 /nfs/dbraw/zinc/76/34/78/189763478.db2.gz RQWROSCUADKKRA-HNNXBMFYSA-N 1 0 293.432 2.555 50 0 CFAARO COc1ccc(C[N@H+](C)CCc2ccccn2)c(OC)c1 ZINC000000200567 371556151 /nfs/dbraw/zinc/55/61/51/371556151.db2.gz XVFYVJJKHFGXGN-UHFFFAOYSA-N 1 0 286.375 2.773 50 0 CFAARO O=C(c1ccccc1)c1cc[n+](Cc2ccccn2)cc1 ZINC000000028248 371509339 /nfs/dbraw/zinc/50/93/39/371509339.db2.gz GIWBRJFIWLSWOF-UHFFFAOYSA-N 1 0 275.331 2.648 50 0 CFAARO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]C(C)(C)C)c1 ZINC000000057211 371518181 /nfs/dbraw/zinc/51/81/81/371518181.db2.gz TWUSDDMONZULSC-QMTHXVAHSA-N 1 0 267.369 2.514 50 0 in-man CFAARO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)cc1C ZINC000000066422 371521952 /nfs/dbraw/zinc/52/19/52/371521952.db2.gz HEFPHRMJPGVGHY-KRWDZBQOSA-N 1 0 285.387 2.833 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237097802 189863401 /nfs/dbraw/zinc/86/34/01/189863401.db2.gz NAOMCFQAPYTBED-MFKMUULPSA-N 1 0 298.789 2.955 50 0 CFAARO O=C(Nc1cccc(Cl)c1)O[C@H]1C[NH+]2CCC1CC2 ZINC000000129739 371536740 /nfs/dbraw/zinc/53/67/40/371536740.db2.gz QCWZYJPDPROWAC-ZDUSSCGKSA-N 1 0 280.755 2.983 50 0 CFAARO Clc1cc(C[n+]2ccccc2)c2c(c1)COCO2 ZINC000000139344 371539935 /nfs/dbraw/zinc/53/99/35/371539935.db2.gz KHWLRAWQSWKUDA-UHFFFAOYSA-N 1 0 262.716 2.542 50 0 CFAARO CCOC(=O)c1c(C)nc2c([C@@H]3CCC[N@@H+]3C)cccn21 ZINC000000134536 371540319 /nfs/dbraw/zinc/54/03/19/371540319.db2.gz AVXVXRXGZMJEJY-ZDUSSCGKSA-N 1 0 287.363 2.586 50 0 CFAARO COc1cccc(NC(=O)CC[NH+]2CCCCCC2)c1 ZINC000000176482 371550272 /nfs/dbraw/zinc/55/02/72/371550272.db2.gz YSQRIFMZXDONSU-UHFFFAOYSA-N 1 0 276.380 2.900 50 0 CFAARO C[N@H+](CCc1ccccc1)C[C@H](O)c1ccccc1 ZINC000000213392 371558893 /nfs/dbraw/zinc/55/88/93/371558893.db2.gz FQAPRQPZGXEXHX-KRWDZBQOSA-N 1 0 255.361 2.895 50 0 CFAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000000237107 371564162 /nfs/dbraw/zinc/56/41/62/371564162.db2.gz VUWRDFUUSQZNNM-HNNXBMFYSA-N 1 0 292.398 2.906 50 0 CFAARO CC1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000000240346 371566036 /nfs/dbraw/zinc/56/60/36/371566036.db2.gz SPPDMQRTUGLVJJ-MRXNPFEDSA-N 1 0 297.826 2.949 50 0 CFAARO CC1(C)CC(NC(=O)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000000262504 371571872 /nfs/dbraw/zinc/57/18/72/371571872.db2.gz JEIQZRRXJHEGJN-UHFFFAOYSA-N 1 0 260.381 2.726 50 0 CFAARO CCCc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000000285859 371578569 /nfs/dbraw/zinc/57/85/69/371578569.db2.gz IRMUVRQYZWMAOY-AWEZNQCLSA-N 1 0 265.397 2.767 50 0 CFAARO c1c(-c2ccc(C3=[NH+]CCCN3)cc2)nc2ccccn12 ZINC000000387395 371602233 /nfs/dbraw/zinc/60/22/33/371602233.db2.gz IXBWENJZKYNDIL-UHFFFAOYSA-N 1 0 276.343 2.741 50 0 CFAARO Cc1ccc(Cl)cc1NC(=O)OCC[NH+](C)C ZINC000000395375 371604158 /nfs/dbraw/zinc/60/41/58/371604158.db2.gz YEWRQAYEJQTJQK-UHFFFAOYSA-N 1 0 256.733 2.759 50 0 CFAARO C[NH+](C)CCOC(=O)Nc1cccc2ccccc21 ZINC000000396576 371605015 /nfs/dbraw/zinc/60/50/15/371605015.db2.gz PNXZBYZJFQNPKV-UHFFFAOYSA-N 1 0 258.321 2.950 50 0 CFAARO CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1N ZINC000001530762 371679551 /nfs/dbraw/zinc/67/95/51/371679551.db2.gz KCLANYCVBBTKTO-UHFFFAOYSA-N 1 0 294.395 2.556 50 0 fda CFAARO CC[C@H]1CCCC[N@@H+]1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000001024530 371657616 /nfs/dbraw/zinc/65/76/16/371657616.db2.gz BBMNTDYLHOUHAS-DZGCQCFKSA-N 1 0 286.375 2.583 50 0 CFAARO c1ccc(CC[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000001829356 371708400 /nfs/dbraw/zinc/70/84/00/371708400.db2.gz ABKYIYWFQDFIGU-OAHLLOKOSA-N 1 0 269.344 2.659 50 0 CFAARO COc1ccc(C[NH2+]C(C)(C)C)c(OC)c1OC ZINC000002184706 371718516 /nfs/dbraw/zinc/71/85/16/371718516.db2.gz ITIJFAKKRZXGHH-UHFFFAOYSA-N 1 0 253.342 2.601 50 0 CFAARO C[NH+](C)CCOC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002172186 371718555 /nfs/dbraw/zinc/71/85/55/371718555.db2.gz JDKYQWBAWPIPHE-UHFFFAOYSA-N 1 0 276.258 2.816 50 0 CFAARO Fc1ccc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)c2c1 ZINC000002243379 371720494 /nfs/dbraw/zinc/72/04/94/371720494.db2.gz BKCFCNMZVVAKBJ-UHFFFAOYSA-N 1 0 299.271 2.802 50 0 CFAARO CCc1ccc(C[C@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000002387469 371726263 /nfs/dbraw/zinc/72/62/63/371726263.db2.gz CZHRRKKPZIBEFS-JJRVBVJISA-N 1 0 261.409 2.883 50 0 CFAARO COc1ccc2[nH]cc([C@H](O)C[N@@H+]3CCC[C@@H](C)C3)c2c1 ZINC000002404044 371726522 /nfs/dbraw/zinc/72/65/22/371726522.db2.gz NPLPQYZRGWDEBQ-SJKOYZFVSA-N 1 0 288.391 2.942 50 0 CFAARO CCN1CCSC1=C/C=C/C1=[N+](CC)CCS1 ZINC000002512176 371731209 /nfs/dbraw/zinc/73/12/09/371731209.db2.gz NXIDBHKWPOTQRS-UHFFFAOYSA-N 1 0 269.459 2.630 50 0 CFAARO CC(C)CC[C@@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000002638542 371743695 /nfs/dbraw/zinc/74/36/95/371743695.db2.gz JQQDZROAGUYIFI-KGLIPLIRSA-N 1 0 269.385 2.571 50 0 CFAARO CC(C)C[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000002655927 371745033 /nfs/dbraw/zinc/74/50/33/371745033.db2.gz YFQXFXKUDBBXSA-RDJZCZTQSA-N 1 0 277.408 2.687 50 0 CFAARO OCC[NH2+]CCCCOc1c(Cl)cccc1Cl ZINC000002897912 371762635 /nfs/dbraw/zinc/76/26/35/371762635.db2.gz YPRSLGKDNRAEFN-UHFFFAOYSA-N 1 0 278.179 2.734 50 0 CFAARO COc1cccc(OCCCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000002948225 371764497 /nfs/dbraw/zinc/76/44/97/371764497.db2.gz LQPJZWGEGLEZNX-INIZCTEOSA-N 1 0 279.380 2.623 50 0 CFAARO COc1cccc(OC)c1OCCC[NH+]1CCCC1 ZINC000002932842 371765409 /nfs/dbraw/zinc/76/54/09/371765409.db2.gz SZDBUOUTUULYAU-UHFFFAOYSA-N 1 0 265.353 2.569 50 0 CFAARO CCOc1ccc(OCCOCC[NH+]2CCCC2)cc1 ZINC000003000485 371768075 /nfs/dbraw/zinc/76/80/75/371768075.db2.gz SXNXFLSCMKXKSW-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO OCC[NH2+]CCCCOc1ccc(Cl)c(Cl)c1 ZINC000003003371 371769048 /nfs/dbraw/zinc/76/90/48/371769048.db2.gz FKPFJVHYEVJVQP-UHFFFAOYSA-N 1 0 278.179 2.734 50 0 CFAARO [NH3+]CCCSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000002617505 371742803 /nfs/dbraw/zinc/74/28/03/371742803.db2.gz GNMWSKOFWKRWRQ-UHFFFAOYSA-N 1 0 274.393 2.586 50 0 CFAARO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@@H]1CO ZINC000004021279 371829154 /nfs/dbraw/zinc/82/91/54/371829154.db2.gz BRNHCAQZRAUXMI-GXTWGEPZSA-N 1 0 251.345 2.604 50 0 CFAARO CN(C(=S)Nc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000003358766 371795395 /nfs/dbraw/zinc/79/53/95/371795395.db2.gz AKPUNTHMGYWNPF-UHFFFAOYSA-N 1 0 281.400 2.549 50 0 CFAARO C[NH+](C)C1(CNC(=O)Cc2ccccc2F)CCCCC1 ZINC000003404512 371798286 /nfs/dbraw/zinc/79/82/86/371798286.db2.gz YQNOSGWTBJYVGR-UHFFFAOYSA-N 1 0 292.398 2.749 50 0 CFAARO COc1cc([C@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000003734425 371815311 /nfs/dbraw/zinc/81/53/11/371815311.db2.gz HRAOJJIYIBNNGJ-LLVKDONJSA-N 1 0 251.326 2.527 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000004263184 371845852 /nfs/dbraw/zinc/84/58/52/371845852.db2.gz CRZVQVZEELAJAD-PBHICJAKSA-N 1 0 289.419 2.789 50 0 CFAARO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C)C2)c1C ZINC000004305002 371848776 /nfs/dbraw/zinc/84/87/76/371848776.db2.gz VDGUYYDRKTUPQS-XJKSGUPXSA-N 1 0 277.408 2.775 50 0 CFAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OC ZINC000004413464 371854778 /nfs/dbraw/zinc/85/47/78/371854778.db2.gz QKLZYZABTNRPQP-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO CC(C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000004691491 371873477 /nfs/dbraw/zinc/87/34/77/371873477.db2.gz UKOIHHITQBMUBC-UHFFFAOYSA-N 1 0 278.371 2.562 50 0 CFAARO Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000004977778 371877326 /nfs/dbraw/zinc/87/73/26/371877326.db2.gz GSBFBOGYLMYEFN-UHFFFAOYSA-N 1 0 267.376 2.712 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000004144218 371836889 /nfs/dbraw/zinc/83/68/89/371836889.db2.gz OBVOCZTXJINSPD-OCCSQVGLSA-N 1 0 283.799 2.812 50 0 CFAARO [NH2+]=C1c2ccccc2CN1NC(=O)c1ccc(Cl)cc1 ZINC000004137233 371837189 /nfs/dbraw/zinc/83/71/89/371837189.db2.gz QPPLBBBHSXXPSI-UHFFFAOYSA-N 1 0 285.734 2.826 50 0 CFAARO CC[NH2+]CC[C@@H]1CCC(=O)N1[C@H](C)c1ccc(OC)cc1 ZINC000011871514 371934609 /nfs/dbraw/zinc/93/46/09/371934609.db2.gz ACXQHNFDJRIACK-HIFRSBDPSA-N 1 0 290.407 2.747 50 0 CFAARO CSc1ccc(/C=C\C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000006497645 371890258 /nfs/dbraw/zinc/89/02/58/371890258.db2.gz YDJZWUINKIPRDL-TWGQIWQCSA-N 1 0 290.432 2.586 50 0 CFAARO O=C(NC1CCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338050 371906582 /nfs/dbraw/zinc/90/65/82/371906582.db2.gz LMKQGFHZSRIISP-UHFFFAOYSA-N 1 0 272.392 2.955 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+]C[C@H](C)O)cc1Cl ZINC000010474602 371910625 /nfs/dbraw/zinc/91/06/25/371910625.db2.gz ORRFPUOVSSXHRL-QMMMGPOBSA-N 1 0 278.179 2.863 50 0 CFAARO [NH3+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000011729502 371926728 /nfs/dbraw/zinc/92/67/28/371926728.db2.gz MCGIQVVVGVAMEI-UHFFFAOYSA-N 1 0 259.180 2.917 50 0 CFAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000011879368 371933308 /nfs/dbraw/zinc/93/33/08/371933308.db2.gz ALCNIPUIUOWWPW-HNNXBMFYSA-N 1 0 289.419 2.871 50 0 CFAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000012475461 371964456 /nfs/dbraw/zinc/96/44/56/371964456.db2.gz PDHGYLYAZCWQBM-SNVBAGLBSA-N 1 0 267.756 2.873 50 0 CFAARO C[C@@H]1CCC[N@H+](C[C@@H](O)c2c[nH]c3ccccc23)C1 ZINC000012436748 371965177 /nfs/dbraw/zinc/96/51/77/371965177.db2.gz XTZAJWIPFFKQJR-MLGOLLRUSA-N 1 0 258.365 2.933 50 0 CFAARO O=C(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccoc1 ZINC000012226228 371950306 /nfs/dbraw/zinc/95/03/06/371950306.db2.gz TUFSJEQFHLWOCQ-QGZVFWFLSA-N 1 0 298.386 2.717 50 0 CFAARO O=C(Cc1c(F)cccc1Cl)NCC[NH+]1CCCCC1 ZINC000013326147 372023355 /nfs/dbraw/zinc/02/33/55/372023355.db2.gz CSDVYQSXUJTYTR-UHFFFAOYSA-N 1 0 298.789 2.624 50 0 CFAARO CSc1ccccc1C(=O)NCCC[NH+]1CCCC1 ZINC000013646264 372037296 /nfs/dbraw/zinc/03/72/96/372037296.db2.gz VCNOIEWPWFGUOU-UHFFFAOYSA-N 1 0 278.421 2.624 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(F)cc2)C1 ZINC000013646385 372037847 /nfs/dbraw/zinc/03/78/47/372037847.db2.gz SYZIZDJYIQBFPP-KBPBESRZSA-N 1 0 292.398 2.924 50 0 CFAARO OCCOc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000013731072 372044627 /nfs/dbraw/zinc/04/46/27/372044627.db2.gz FJFZSINPCAWDIT-UHFFFAOYSA-N 1 0 263.381 2.870 50 0 CFAARO Cn1c2ccc(C[NH2+]CCC3=CCCCC3)cc2n(C)c1=O ZINC000013723783 372045141 /nfs/dbraw/zinc/04/51/41/372045141.db2.gz DKFUXBVLDFGJBJ-UHFFFAOYSA-N 1 0 299.418 2.857 50 0 CFAARO c1cnc(Oc2cccc(C[NH2+]Cc3cccnc3)c2)nc1 ZINC000013731560 372047000 /nfs/dbraw/zinc/04/70/00/372047000.db2.gz AFKCXVOFVHJEPH-UHFFFAOYSA-N 1 0 292.342 2.954 50 0 CFAARO NC(=O)[C@@H]([NH2+]C1CCCCCCC1)c1ccccc1 ZINC000014048313 372058693 /nfs/dbraw/zinc/05/86/93/372058693.db2.gz ASQYEMFSAAUYOG-HNNXBMFYSA-N 1 0 260.381 2.916 50 0 CFAARO CCCc1cc(C(=O)NC2CC[NH+](C)CC2)cs1 ZINC000016605928 372113022 /nfs/dbraw/zinc/11/30/22/372113022.db2.gz QOWMAWYHDXVSSX-UHFFFAOYSA-N 1 0 266.410 2.525 50 0 CFAARO CC(C)(C)OC(=O)n1ccc2cc(CC[NH3+])ccc21 ZINC000016696844 372118140 /nfs/dbraw/zinc/11/81/40/372118140.db2.gz CSEOKJYYXRMZJL-UHFFFAOYSA-N 1 0 260.337 2.926 50 0 CFAARO CC(C)(C)CN1C[C@H]([NH2+]C2CCCCC2)CC1=O ZINC000014952166 372075597 /nfs/dbraw/zinc/07/55/97/372075597.db2.gz KLRJKDOAXADVHN-CYBMUJFWSA-N 1 0 252.402 2.556 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C)COC2)cc1C ZINC000015073211 372078426 /nfs/dbraw/zinc/07/84/26/372078426.db2.gz GVWNNWFBLHBBHR-UHFFFAOYSA-N 1 0 285.391 2.820 50 0 CFAARO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccccc1 ZINC000016333986 372103444 /nfs/dbraw/zinc/10/34/44/372103444.db2.gz OFIKXGZTXUSCPZ-CYBMUJFWSA-N 1 0 288.416 2.885 50 0 CFAARO CCC[NH+]1CCC(NCc2ccc(NC(C)=O)cc2)CC1 ZINC000017316840 372132170 /nfs/dbraw/zinc/13/21/70/372132170.db2.gz KHOIUHOSEVAVCW-UHFFFAOYSA-N 1 0 289.423 2.609 50 0 CFAARO O=C1C[C@@H]([NH2+]C2CCCC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018093571 372140156 /nfs/dbraw/zinc/14/01/56/372140156.db2.gz YOXSBUBHYQJYRR-CYBMUJFWSA-N 1 0 292.766 2.504 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2 ZINC000018130447 372141213 /nfs/dbraw/zinc/14/12/13/372141213.db2.gz ZNRGQMMCGHDTEI-FUNVUKJBSA-N 1 0 284.359 2.950 50 0 world CFAARO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)C1CCCCC1 ZINC000019201941 372148945 /nfs/dbraw/zinc/14/89/45/372148945.db2.gz NZUKSVDRTKIQDY-INIZCTEOSA-N 1 0 272.392 2.570 50 0 CFAARO c1cncc(CN2CC[NH+](C3CCCCCC3)CC2)c1 ZINC000019339196 372156108 /nfs/dbraw/zinc/15/61/08/372156108.db2.gz IUPGFLKDUOZOMH-UHFFFAOYSA-N 1 0 273.424 2.922 50 0 CFAARO CC[NH+](CC)CCN(C)[C@H]1CCc2ccccc2C1 ZINC000019636256 372178901 /nfs/dbraw/zinc/17/89/01/372178901.db2.gz FQAQNGDPCOZTTN-KRWDZBQOSA-N 1 0 260.425 2.818 50 0 CFAARO COc1ccc(CC[C@@H](C)[N@H+](C)CCN(C)C)cc1 ZINC000019636663 372179047 /nfs/dbraw/zinc/17/90/47/372179047.db2.gz HAZUIYBYHVIOTO-CQSZACIVSA-N 1 0 264.413 2.510 50 0 CFAARO COc1cccc(OCCCCCC[NH+]2CCOCC2)c1 ZINC000019607556 372179142 /nfs/dbraw/zinc/17/91/42/372179142.db2.gz BNFJSHGBYXJDOF-UHFFFAOYSA-N 1 0 293.407 2.967 50 0 CFAARO Cc1ccc(Cn2c3ccccc3nc2C[NH3+])cc1 ZINC000019734144 372182689 /nfs/dbraw/zinc/18/26/89/372182689.db2.gz CYXUQCWDRUIAFO-UHFFFAOYSA-N 1 0 251.333 2.852 50 0 CFAARO Cc1ccc([C@H]([NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000019971354 372218478 /nfs/dbraw/zinc/21/84/78/372218478.db2.gz LYPSECGRLXHVEJ-MRXNPFEDSA-N 1 0 289.400 2.755 50 0 CFAARO Nc1cccc(CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000020192055 372235552 /nfs/dbraw/zinc/23/55/52/372235552.db2.gz FVOUDRKKUVUPRR-UHFFFAOYSA-N 1 0 281.403 2.634 50 0 CFAARO c1ccc(CN2CC[NH+](C[C@H]3CC=CCC3)CC2)nc1 ZINC000019789966 372187939 /nfs/dbraw/zinc/18/79/39/372187939.db2.gz VBURMEALUZJABO-INIZCTEOSA-N 1 0 271.408 2.556 50 0 CFAARO CC(C)CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000019789316 372188287 /nfs/dbraw/zinc/18/82/87/372188287.db2.gz PMIHDOIISUXYQW-UHFFFAOYSA-N 1 0 266.429 2.755 50 0 CFAARO CN1CC[NH+](C[C@H](O)c2ccc(C3CCCC3)cc2)CC1 ZINC000019802313 372190198 /nfs/dbraw/zinc/19/01/98/372190198.db2.gz ZHALKFDDTVRRCV-SFHVURJKSA-N 1 0 288.435 2.625 50 0 CFAARO C[C@H]([NH3+])c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000019873346 372202116 /nfs/dbraw/zinc/20/21/16/372202116.db2.gz GQKUZACIJAQLEM-JQWIXIFHSA-N 1 0 253.317 2.793 50 0 CFAARO Cc1occc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025330777 372296819 /nfs/dbraw/zinc/29/68/19/372296819.db2.gz COUZUXXXJYCGFT-CYBMUJFWSA-N 1 0 278.377 2.682 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2)no1 ZINC000025397962 372298555 /nfs/dbraw/zinc/29/85/55/372298555.db2.gz AUJPVRBMNPZGKR-SNVBAGLBSA-N 1 0 293.754 2.926 50 0 CFAARO COc1cccc(C[NH2+]C2Cc3ccccc3C2)c1OC ZINC000023282539 372259139 /nfs/dbraw/zinc/25/91/39/372259139.db2.gz FUNMXNJNPFSWKJ-UHFFFAOYSA-N 1 0 283.371 2.961 50 0 CFAARO Cc1cc(NCc2cccc(C(F)(F)F)c2)nc(N)[nH+]1 ZINC000024752782 372282105 /nfs/dbraw/zinc/28/21/05/372282105.db2.gz CTGXNXMHRQUXCX-UHFFFAOYSA-N 1 0 282.269 2.998 50 0 CFAARO C[C@@H](CNC(=O)C[C@@H]1C=CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000025941180 372311120 /nfs/dbraw/zinc/31/11/20/372311120.db2.gz DBAXTLJCTUOZDF-JKSUJKDBSA-N 1 0 298.430 2.906 50 0 CFAARO c1ccc2oc(N3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000029390953 372379985 /nfs/dbraw/zinc/37/99/85/372379985.db2.gz FHKBWVWBUKNSFS-UHFFFAOYSA-N 1 0 280.331 2.549 50 0 CFAARO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccsc1C(=O)OC ZINC000030270436 372391052 /nfs/dbraw/zinc/39/10/52/372391052.db2.gz WVLJJJORUZISOV-JTQLQIEISA-N 1 0 298.408 2.594 50 0 CFAARO CCOc1ncccc1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000030901461 372401260 /nfs/dbraw/zinc/40/12/60/372401260.db2.gz YMLWFQOUWKBKQC-UHFFFAOYSA-N 1 0 299.374 2.729 50 0 CFAARO Cc1ccc2nc(C[N@@H+]([C@@H](C)C3CC3)C3CC3)cc(=O)n2c1 ZINC000031654325 372413935 /nfs/dbraw/zinc/41/39/35/372413935.db2.gz MSUHECUYRBXXHQ-ZDUSSCGKSA-N 1 0 297.402 2.766 50 0 CFAARO CCC(CC)C[N@H+](CC)CC(=O)Nc1c(C)n[nH]c1C ZINC000032928807 372478000 /nfs/dbraw/zinc/47/80/00/372478000.db2.gz DXGNDLHHAUXRTC-UHFFFAOYSA-N 1 0 280.416 2.723 50 0 CFAARO c1ccc(Oc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC000031917849 372422678 /nfs/dbraw/zinc/42/26/78/372422678.db2.gz IAYCLPRLPPWDKM-UHFFFAOYSA-N 1 0 268.360 2.884 50 0 CFAARO COc1cccc([C@H](O)C[NH2+]Cc2ccccc2)c1 ZINC000032110169 372429021 /nfs/dbraw/zinc/42/90/21/372429021.db2.gz MJTYNPILNLIVAJ-MRXNPFEDSA-N 1 0 257.333 2.518 50 0 CFAARO Cc1cc(N[C@@H](C)c2cnn(-c3ccccc3)c2)nc(N)[nH+]1 ZINC000032519407 372443400 /nfs/dbraw/zinc/44/34/00/372443400.db2.gz HOKRLFTYVGASNU-LBPRGKRZSA-N 1 0 294.362 2.726 50 0 CFAARO CCCC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1F ZINC000032582056 372447552 /nfs/dbraw/zinc/44/75/52/372447552.db2.gz XPHCFNKAXSXPKD-TZMCWYRMSA-N 1 0 253.361 2.897 50 0 CFAARO CCc1cccc(C)c1-n1nnnc1C1([NH2+]C)CCCCC1 ZINC000035622265 372549430 /nfs/dbraw/zinc/54/94/30/372549430.db2.gz IVJAZGMKAXLUPN-UHFFFAOYSA-N 1 0 299.422 2.912 50 0 CFAARO CC[C@H](C)[N@@H+](Cc1cccn1C)C[C@H](O)COC(C)(C)C ZINC000036098146 372559141 /nfs/dbraw/zinc/55/91/41/372559141.db2.gz VUTLPXRKTSBDFA-HOCLYGCPSA-N 1 0 296.455 2.802 50 0 CFAARO CC(C)N(C[C@@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000036378512 372575082 /nfs/dbraw/zinc/57/50/82/372575082.db2.gz WPTKXKVPJIWJSW-GFCCVEGCSA-N 1 0 256.390 2.632 50 0 CFAARO [NH3+]Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000036720728 372586551 /nfs/dbraw/zinc/58/65/51/372586551.db2.gz KQBHDXHJZDXZOP-UHFFFAOYSA-N 1 0 290.750 2.816 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099987 372649515 /nfs/dbraw/zinc/64/95/15/372649515.db2.gz OUBMJFNHXVXRDW-WDEREUQCSA-N 1 0 261.291 2.929 50 0 CFAARO [NH3+]C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000237868890 189891864 /nfs/dbraw/zinc/89/18/64/189891864.db2.gz SGKGKRSZUJQEPP-UHFFFAOYSA-N 1 0 291.153 2.696 50 0 CFAARO C[C@H](NC(=O)OC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000037747743 372695280 /nfs/dbraw/zinc/69/52/80/372695280.db2.gz BLDKWHXLDRAEJG-JTQLQIEISA-N 1 0 250.342 2.731 50 0 CFAARO COc1ccc(Cl)cc1C[NH2+]C1CCOCC1 ZINC000037873979 372729628 /nfs/dbraw/zinc/72/96/28/372729628.db2.gz POUHNMFAMHCTTP-UHFFFAOYSA-N 1 0 255.745 2.617 50 0 CFAARO CCn1c(C[NH2+]CCc2ccccn2)nc2ccccc21 ZINC000037981003 372747589 /nfs/dbraw/zinc/74/75/89/372747589.db2.gz CMJCMHYPSYGJCB-UHFFFAOYSA-N 1 0 280.375 2.784 50 0 CFAARO CC(C)(C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000041423466 372837911 /nfs/dbraw/zinc/83/79/11/372837911.db2.gz PWJRBCONHHRMGG-UHFFFAOYSA-N 1 0 284.469 2.510 50 0 CFAARO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)cc1 ZINC000042237623 372892125 /nfs/dbraw/zinc/89/21/25/372892125.db2.gz KHEPEOUXNCNNFB-SNVBAGLBSA-N 1 0 266.772 2.517 50 0 CFAARO Cc1nn(C)c(Cl)c1C[N@H+](CCO)C1CCCCC1 ZINC000042503437 372928568 /nfs/dbraw/zinc/92/85/68/372928568.db2.gz NLBQFBRRUHNQJK-UHFFFAOYSA-N 1 0 285.819 2.509 50 0 CFAARO C[NH+](C)C(C)(C)CNC(=O)NC1CCCCCCC1 ZINC000042952949 372968692 /nfs/dbraw/zinc/96/86/92/372968692.db2.gz FGAIHIPVERNVLH-UHFFFAOYSA-N 1 0 269.433 2.739 50 0 CFAARO CC(C)[N@@H+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)C[C@H]1C ZINC000043139803 372976966 /nfs/dbraw/zinc/97/69/66/372976966.db2.gz MXEBPWWSMMUJEM-OAHLLOKOSA-N 1 0 298.434 2.991 50 0 CFAARO Cc1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042772203 372954401 /nfs/dbraw/zinc/95/44/01/372954401.db2.gz VTOMBADNBHBIIH-SNVBAGLBSA-N 1 0 270.170 2.746 50 0 CFAARO COC(=O)c1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000042773842 372954609 /nfs/dbraw/zinc/95/46/09/372954609.db2.gz XCSPCJWEQKGOLW-HNNXBMFYSA-N 1 0 277.364 2.522 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccsc1 ZINC000048309413 373161748 /nfs/dbraw/zinc/16/17/48/373161748.db2.gz PFJJJQSEIDDEDT-GXTWGEPZSA-N 1 0 278.421 2.823 50 0 CFAARO CC(C)c1noc(CN2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000047970898 373135097 /nfs/dbraw/zinc/13/50/97/373135097.db2.gz SSLNLJVYOVSRTQ-UHFFFAOYSA-N 1 0 292.427 2.501 50 0 CFAARO CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000048827977 373225167 /nfs/dbraw/zinc/22/51/67/373225167.db2.gz KPBRQBXZPMKOFZ-CQSZACIVSA-N 1 0 289.423 2.738 50 0 CFAARO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000048926140 373230821 /nfs/dbraw/zinc/23/08/21/373230821.db2.gz PDSAWJSLCPKGPZ-VXGBXAGGSA-N 1 0 295.814 2.585 50 0 CFAARO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)nc1 ZINC000048926142 373232163 /nfs/dbraw/zinc/23/21/63/373232163.db2.gz PDSAWJSLCPKGPZ-NWDGAFQWSA-N 1 0 295.814 2.585 50 0 CFAARO CC(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000048920178 373232257 /nfs/dbraw/zinc/23/22/57/373232257.db2.gz KJUMQUAIEXQQOC-ZFWWWQNUSA-N 1 0 260.381 2.594 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2F)C1 ZINC000049479567 373301860 /nfs/dbraw/zinc/30/18/60/373301860.db2.gz JVHJNFWYEPDBFK-ZDUSSCGKSA-N 1 0 278.371 2.676 50 0 CFAARO Cn1ccc(C[N@H+](C2CC2)C2CCCCC2)cc1=O ZINC000051880854 373414786 /nfs/dbraw/zinc/41/47/86/373414786.db2.gz FVVFLWZUZHINDD-UHFFFAOYSA-N 1 0 260.381 2.682 50 0 CFAARO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ccc1OC(C)C ZINC000051993778 373424201 /nfs/dbraw/zinc/42/42/01/373424201.db2.gz RHEBSILYJKPIPF-HUUCEWRRSA-N 1 0 293.407 2.876 50 0 CFAARO CC[NH+](CC)Cc1cccc(CNC(=O)CCCOC)c1 ZINC000054032742 373492893 /nfs/dbraw/zinc/49/28/93/373492893.db2.gz QSGPXHGLHXSCCT-UHFFFAOYSA-N 1 0 292.423 2.571 50 0 CFAARO O=C(C[NH2+]Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000055031424 373533959 /nfs/dbraw/zinc/53/39/59/373533959.db2.gz QFAXDGQCMGUZBK-UHFFFAOYSA-N 1 0 298.430 2.861 50 0 CFAARO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1CCCCC1 ZINC000057273899 373583339 /nfs/dbraw/zinc/58/33/39/373583339.db2.gz XWTMOYIDANLWKG-UHFFFAOYSA-N 1 0 285.391 2.935 50 0 CFAARO Cn1cc(C[NH2+]CCOc2ccccn2)c2ccccc21 ZINC000057353201 373590081 /nfs/dbraw/zinc/59/00/81/373590081.db2.gz XVACLJNIAXXDCX-UHFFFAOYSA-N 1 0 281.359 2.742 50 0 CFAARO CC[C@@H](CO)[N@H+](Cc1ccsc1)Cc1ccccn1 ZINC000055182734 373543401 /nfs/dbraw/zinc/54/34/01/373543401.db2.gz LQDQRWHDWHUQSY-HNNXBMFYSA-N 1 0 276.405 2.916 50 0 CFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC(C)C ZINC000057529633 373596417 /nfs/dbraw/zinc/59/64/17/373596417.db2.gz KVUTYJHUULDPOE-UHFFFAOYSA-N 1 0 289.423 2.731 50 0 CFAARO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 ZINC000058157460 373627593 /nfs/dbraw/zinc/62/75/93/373627593.db2.gz YQPJNDLQNTVWNR-QGZVFWFLSA-N 1 0 282.387 2.589 50 0 CFAARO OC1CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000058209401 373632988 /nfs/dbraw/zinc/63/29/88/373632988.db2.gz MJWZQOBPODJFMA-UHFFFAOYSA-N 1 0 284.359 2.831 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1 ZINC000058282872 373640245 /nfs/dbraw/zinc/64/02/45/373640245.db2.gz WTVGPFFCYNONIK-GOSISDBHSA-N 1 0 298.386 2.777 50 0 CFAARO CCC(CC)([NH2+]Cc1cc(F)cc2cccnc21)C(N)=O ZINC000058278259 373640537 /nfs/dbraw/zinc/64/05/37/373640537.db2.gz DIQCJJUBTPUMBA-UHFFFAOYSA-N 1 0 289.354 2.508 50 0 CFAARO C[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cc(F)ccc1F ZINC000058332935 373646143 /nfs/dbraw/zinc/64/61/43/373646143.db2.gz MJPKJVHVDUNVJQ-QWRGUYRKSA-N 1 0 292.333 2.554 50 0 CFAARO CCC[NH+]1CCC(NC(=O)CCc2cccs2)CC1 ZINC000061510069 373718095 /nfs/dbraw/zinc/71/80/95/373718095.db2.gz LGRXYSQSLCLXBU-UHFFFAOYSA-N 1 0 280.437 2.671 50 0 CFAARO CCCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000060370077 373692877 /nfs/dbraw/zinc/69/28/77/373692877.db2.gz NSDPKDHGIYFONT-UHFFFAOYSA-N 1 0 256.390 2.776 50 0 CFAARO COC[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000062161090 373755319 /nfs/dbraw/zinc/75/53/19/373755319.db2.gz MGVGPCHWWIMYNN-CYBMUJFWSA-N 1 0 279.380 2.562 50 0 CFAARO Cc1ccc(CN(CC[NH+](C)C)Cc2[nH]cnc2C)s1 ZINC000063855509 373816933 /nfs/dbraw/zinc/81/69/33/373816933.db2.gz LGELUDYZGHWHEH-UHFFFAOYSA-N 1 0 292.452 2.652 50 0 CFAARO C[C@H](CO)C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000063857631 373817433 /nfs/dbraw/zinc/81/74/33/373817433.db2.gz VXQKGZPEQKTMIM-HNNXBMFYSA-N 1 0 270.376 2.712 50 0 CFAARO Cc1ccc(C[N@H+]2CC=C(C(=O)NCC(C)C)CC2)cc1 ZINC000064817981 373835674 /nfs/dbraw/zinc/83/56/74/373835674.db2.gz CDRQAWZKQWHNHM-UHFFFAOYSA-N 1 0 286.419 2.899 50 0 CFAARO CCCCc1nc(C)c(C(=O)NCC[N@H+](C)C2CC2)s1 ZINC000063116519 373785996 /nfs/dbraw/zinc/78/59/96/373785996.db2.gz HBHVJFKZNPHWOW-UHFFFAOYSA-N 1 0 295.452 2.618 50 0 CFAARO COc1c(C[NH2+][C@@H]2CCc3cc(C)ccc32)c(C)nn1C ZINC000065474695 373878268 /nfs/dbraw/zinc/87/82/68/373878268.db2.gz FZKSFHQKMQMGMD-MRXNPFEDSA-N 1 0 285.391 2.823 50 0 CFAARO CC(C)C[NH+]1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000065622188 373895826 /nfs/dbraw/zinc/89/58/26/373895826.db2.gz SPWDCMIUGAONGM-MRXNPFEDSA-N 1 0 296.842 2.647 50 0 CFAARO CCCNC(=O)c1cc(C)n(CC[NH+]2CCCCC2)c1C ZINC000065178116 373849246 /nfs/dbraw/zinc/84/92/46/373849246.db2.gz IRVVQEFOKCUNNK-UHFFFAOYSA-N 1 0 291.439 2.731 50 0 CFAARO CCCC[C@@H](O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000065288680 373854809 /nfs/dbraw/zinc/85/48/09/373854809.db2.gz YXXZVRJROZCUCF-MRXNPFEDSA-N 1 0 262.397 2.845 50 0 CFAARO CNC(=O)CC1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 ZINC000065384438 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CC[C@@H](C)[N@H+](C)CCNC(=O)COc1ccccc1Cl ZINC000066137522 373914055 /nfs/dbraw/zinc/91/40/55/373914055.db2.gz ZQAJZNFTNHLBEN-GFCCVEGCSA-N 1 0 298.814 2.565 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000066151497 373916923 /nfs/dbraw/zinc/91/69/23/373916923.db2.gz ISWDYTOQZVLOCR-INIZCTEOSA-N 1 0 271.360 2.558 50 0 CFAARO COCC[N@H+](C)[C@@H](c1ccccc1)c1ccccn1 ZINC000066540360 373936618 /nfs/dbraw/zinc/93/66/18/373936618.db2.gz GPGGFJASOCJSRO-INIZCTEOSA-N 1 0 256.349 2.749 50 0 CFAARO Cc1ccc(-c2nc(CC[NH2+]Cc3ncc[nH]3)co2)cc1 ZINC000066593681 373940162 /nfs/dbraw/zinc/94/01/62/373940162.db2.gz CUXPZLNINQKFTH-UHFFFAOYSA-N 1 0 282.347 2.705 50 0 CFAARO C[C@H]([NH2+]C1CSCCSC1)c1cn2ccsc2n1 ZINC000067724732 373996010 /nfs/dbraw/zinc/99/60/10/373996010.db2.gz KORHWDHCYFZZLL-VIFPVBQESA-N 1 0 299.490 2.895 50 0 CFAARO C(CC[C@@H]1CCCO1)C[NH2+]C1CSCCSC1 ZINC000067714146 373997174 /nfs/dbraw/zinc/99/71/74/373997174.db2.gz SBFVLJLLVSLRNA-CYBMUJFWSA-N 1 0 275.483 2.774 50 0 CFAARO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cn1 ZINC000067757080 373999583 /nfs/dbraw/zinc/99/95/83/373999583.db2.gz FVGDFAQHWSCMIT-MRXNPFEDSA-N 1 0 282.391 2.880 50 0 CFAARO COc1ccc2[nH]c(C[NH2+][C@H](C)CC(C)(C)OC)nc2c1 ZINC000067847285 374009666 /nfs/dbraw/zinc/00/96/66/374009666.db2.gz FXVJRJICQYZVCG-LLVKDONJSA-N 1 0 291.395 2.865 50 0 CFAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CC2(N(C)C)CCCCC2)n1 ZINC000067935423 374015741 /nfs/dbraw/zinc/01/57/41/374015741.db2.gz JZRTXINZMQIXOW-OAHLLOKOSA-N 1 0 292.471 2.743 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000067374450 373975951 /nfs/dbraw/zinc/97/59/51/373975951.db2.gz ONGXOBZIZNHELO-CYBMUJFWSA-N 1 0 268.401 2.729 50 0 CFAARO CCOc1cc(NC(=O)NC2CC[NH+](C)CC2)ccc1C ZINC000067348006 373976084 /nfs/dbraw/zinc/97/60/84/373976084.db2.gz ACJZUJMSRCNFLO-UHFFFAOYSA-N 1 0 291.395 2.609 50 0 CFAARO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1[nH]nc2c1CCC2 ZINC000067489930 373981400 /nfs/dbraw/zinc/98/14/00/373981400.db2.gz MPHUUOOBUFYVQY-NSHDSACASA-N 1 0 273.355 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374523217 /nfs/dbraw/zinc/52/32/17/374523217.db2.gz GQLOWQLIKAJOET-UHFFFAOYSA-N 1 0 283.799 2.972 50 0 CFAARO CCOC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000076089741 374530550 /nfs/dbraw/zinc/53/05/50/374530550.db2.gz VWUDWBMFYYVTBC-NWANDNLSSA-N 1 0 281.396 2.758 50 0 CFAARO CC[C@@H](OC1CCCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000079045217 374587917 /nfs/dbraw/zinc/58/79/17/374587917.db2.gz WTNIBLXRQMXJQN-MRXNPFEDSA-N 1 0 296.455 2.572 50 0 CFAARO COC[C@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000079091167 374594677 /nfs/dbraw/zinc/59/46/77/374594677.db2.gz YRPUTACQSFFPEC-AWEZNQCLSA-N 1 0 278.396 2.565 50 0 CFAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1C ZINC000079020789 374584419 /nfs/dbraw/zinc/58/44/19/374584419.db2.gz LUCDZCLMWZIEDF-VXGBXAGGSA-N 1 0 253.415 2.574 50 0 CFAARO C[C@H]1C[C@H](NCc2cc[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000080338429 374651392 /nfs/dbraw/zinc/65/13/92/374651392.db2.gz YNSJKKNVCACIEU-GOEBONIOSA-N 1 0 284.407 2.552 50 0 CFAARO Clc1ccc(C2=CC[N@H+](CCn3cncn3)CC2)cc1 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Cc1ccccc1Cn1c[n+](Cc2ccccc2)cn1 ZINC000252507704 189979333 /nfs/dbraw/zinc/97/93/33/189979333.db2.gz WSERYMMAKSWZBA-UHFFFAOYSA-N 1 0 264.352 2.576 50 0 CFAARO C[N@H+](Cc1cc(F)ccc1F)C1CCC(CO)CC1 ZINC000089924550 374969050 /nfs/dbraw/zinc/96/90/50/374969050.db2.gz IQGHPDFLXYPCGL-UHFFFAOYSA-N 1 0 269.335 2.948 50 0 CFAARO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2N1C1CC1 ZINC000089834917 374959433 /nfs/dbraw/zinc/95/94/33/374959433.db2.gz SCEBQEXKOXURIY-WBVHZDCISA-N 1 0 284.403 2.662 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2occc2C)[C@H](CC)C1 ZINC000089948791 374974668 /nfs/dbraw/zinc/97/46/68/374974668.db2.gz ZJOBEPNVOYBWCP-ZIAGYGMSSA-N 1 0 278.396 2.715 50 0 CFAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccsc1 ZINC000089949095 374974831 /nfs/dbraw/zinc/97/48/31/374974831.db2.gz NKAPPNVSIPMVOZ-UKRRQHHQSA-N 1 0 292.448 2.875 50 0 CFAARO CCCc1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000089960468 374975944 /nfs/dbraw/zinc/97/59/44/374975944.db2.gz SAWBXOOBAGSBFA-VXGBXAGGSA-N 1 0 252.383 2.631 50 0 CFAARO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000090086357 374990066 /nfs/dbraw/zinc/99/00/66/374990066.db2.gz QVRUNTMXPHGVPX-OLZOCXBDSA-N 1 0 293.407 2.906 50 0 CFAARO CC(C)CN1CCC[C@H]1C[NH2+][C@H](C)C1CCOCC1 ZINC000090854043 375033739 /nfs/dbraw/zinc/03/37/39/375033739.db2.gz UCXJCNYHDPZORX-ZBFHGGJFSA-N 1 0 268.445 2.512 50 0 CFAARO Oc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812825 375158169 /nfs/dbraw/zinc/15/81/69/375158169.db2.gz FVZXIMHQGKPNBA-HNNXBMFYSA-N 1 0 283.375 2.721 50 0 CFAARO COc1ccccc1C[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000092808953 375158690 /nfs/dbraw/zinc/15/86/90/375158690.db2.gz VKZWZOCKTBYPBN-UHFFFAOYSA-N 1 0 285.391 2.808 50 0 CFAARO COc1ccccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000092968125 375170853 /nfs/dbraw/zinc/17/08/53/375170853.db2.gz ADFUINLHXVLYAA-HNNXBMFYSA-N 1 0 271.364 2.729 50 0 CFAARO c1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cs1 ZINC000093134498 375190892 /nfs/dbraw/zinc/19/08/92/375190892.db2.gz ZDQZHIBKABKSCI-ZDUSSCGKSA-N 1 0 288.420 2.665 50 0 CFAARO Cc1cc(C[N@@H+]2CCC[C@@](C)(CO)C2)ccc1F ZINC000093340805 375219715 /nfs/dbraw/zinc/21/97/15/375219715.db2.gz NCBOPJOPJQZHLW-OAHLLOKOSA-N 1 0 251.345 2.729 50 0 CFAARO CC(C)Cc1ncc(C[N@H+](C)C[C@@H]2CCOC2)s1 ZINC000093840456 375321599 /nfs/dbraw/zinc/32/15/99/375321599.db2.gz HLMDLOWOHLMVGG-LBPRGKRZSA-N 1 0 268.426 2.810 50 0 CFAARO CC(C)c1nsc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000094266982 375349467 /nfs/dbraw/zinc/34/94/67/375349467.db2.gz ZNHSISAHWMEXAN-WDEREUQCSA-N 1 0 266.414 2.700 50 0 CFAARO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000095462565 375457112 /nfs/dbraw/zinc/45/71/12/375457112.db2.gz TZDRFZOXRJREJY-GHMZBOCLSA-N 1 0 291.420 2.670 50 0 CFAARO Cc1ccc(NC(=O)N(C)CCC[NH+](C)C)c(F)c1 ZINC000095467017 375457916 /nfs/dbraw/zinc/45/79/16/375457916.db2.gz IIUZZUMFGKQEHD-UHFFFAOYSA-N 1 0 267.348 2.550 50 0 CFAARO CC(C)n1ccc2c1cccc2C(=O)NCCC[NH+](C)C ZINC000095473609 375459421 /nfs/dbraw/zinc/45/94/21/375459421.db2.gz PLYIUBVSTLIPHM-UHFFFAOYSA-N 1 0 287.407 2.904 50 0 CFAARO c1ccc(-c2nnc(SC3CC[NH2+]CC3)o2)cc1 ZINC000095908586 375462706 /nfs/dbraw/zinc/46/27/06/375462706.db2.gz QWERVHHFMRYRQR-UHFFFAOYSA-N 1 0 261.350 2.581 50 0 CFAARO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000095988222 375465043 /nfs/dbraw/zinc/46/50/43/375465043.db2.gz YCTWZOQCTDRTSM-FZMZJTMJSA-N 1 0 266.360 2.668 50 0 CFAARO C[C@@H](NC(=O)CCC[NH+]1CCCCC1)c1ccc(O)cc1 ZINC000095360538 375419404 /nfs/dbraw/zinc/41/94/04/375419404.db2.gz VNOZYQDZHOZAIS-CQSZACIVSA-N 1 0 290.407 2.836 50 0 CFAARO CCC[N@@H+]1CC[C@@H](Nc2ncnc3nc(C)cc(C)c32)C1 ZINC000095367164 375421100 /nfs/dbraw/zinc/42/11/00/375421100.db2.gz KPWVDMKYJADXBQ-CYBMUJFWSA-N 1 0 285.395 2.538 50 0 CFAARO CCOCC[N@@H+]1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095362954 375422044 /nfs/dbraw/zinc/42/20/44/375422044.db2.gz MEOTXHHLDLNYJS-AWEZNQCLSA-N 1 0 265.401 2.680 50 0 CFAARO C[NH+]1CCC(C2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000096153768 375470568 /nfs/dbraw/zinc/47/05/68/375470568.db2.gz GBUYUTORWGERAU-UHFFFAOYSA-N 1 0 277.387 2.779 50 0 CFAARO COc1ccc([C@H]2[C@@H](CNc3ncccn3)CC[N@@H+]2C)cc1 ZINC000095397636 375430312 /nfs/dbraw/zinc/43/03/12/375430312.db2.gz PJPATEZLAMSCFC-ZBFHGGJFSA-N 1 0 298.390 2.590 50 0 CFAARO c1cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)ccn1 ZINC000095402431 375431582 /nfs/dbraw/zinc/43/15/82/375431582.db2.gz MVVHUTTXSPMCHL-AWEZNQCLSA-N 1 0 284.363 2.722 50 0 CFAARO CCOCC[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000095400877 375431757 /nfs/dbraw/zinc/43/17/57/375431757.db2.gz GBRYVOCKRMFZME-AWEZNQCLSA-N 1 0 273.380 2.710 50 0 CFAARO OC[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000095410522 375434441 /nfs/dbraw/zinc/43/44/41/375434441.db2.gz MACTVPTUGKRJCI-FUHWJXTLSA-N 1 0 299.418 2.903 50 0 CFAARO CCc1ccc(C[NH2+]C[C@@H](CO)c2ccccc2)o1 ZINC000095415537 375438055 /nfs/dbraw/zinc/43/80/55/375438055.db2.gz LFSQVJALOMUINI-AWEZNQCLSA-N 1 0 259.349 2.708 50 0 CFAARO Cn1nccc1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000095420184 375440644 /nfs/dbraw/zinc/44/06/44/375440644.db2.gz AYPJSLRHTWCBBP-OAHLLOKOSA-N 1 0 273.405 2.540 50 0 CFAARO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)C1 ZINC000095421620 375441204 /nfs/dbraw/zinc/44/12/04/375441204.db2.gz UXTOEIXKOOMSFG-OCCSQVGLSA-N 1 0 292.379 2.577 50 0 CFAARO CC1(C)C[C@@H]([NH2+]Cc2cn3ccsc3n2)C(C)(C)O1 ZINC000095421037 375441243 /nfs/dbraw/zinc/44/12/43/375441243.db2.gz DZMAPXPDSAIPSK-LLVKDONJSA-N 1 0 279.409 2.832 50 0 CFAARO CC1(C)C[C@H]([NH2+]Cc2cn3ccsc3n2)C(C)(C)O1 ZINC000095421036 375441261 /nfs/dbraw/zinc/44/12/61/375441261.db2.gz DZMAPXPDSAIPSK-NSHDSACASA-N 1 0 279.409 2.832 50 0 CFAARO COC[C@H](C)[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000095423745 375441912 /nfs/dbraw/zinc/44/19/12/375441912.db2.gz PXICQEMPLYMDRE-JQWIXIFHSA-N 1 0 265.378 2.559 50 0 CFAARO c1ncn(CC[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000095426355 375443353 /nfs/dbraw/zinc/44/33/53/375443353.db2.gz BKTFDQBXFAUFBV-IRXDYDNUSA-N 1 0 282.391 2.679 50 0 CFAARO C[C@H]([NH3+])C(=O)N1CCC[C@H]1Cc1ccc2ccccc2c1 ZINC000095426488 375443741 /nfs/dbraw/zinc/44/37/41/375443741.db2.gz DPKSXBBGCUWHPO-GUYCJALGSA-N 1 0 282.387 2.721 50 0 CFAARO Cc1[nH+]c2cc(NCc3nc(C)ccc3O)ccc2n1C ZINC000095429314 375444863 /nfs/dbraw/zinc/44/48/63/375444863.db2.gz NGPDHWLHBOXEIO-UHFFFAOYSA-N 1 0 282.347 2.903 50 0 CFAARO c1cc(CC[NH+]2CCC(C3CCOCC3)CC2)ccn1 ZINC000095434330 375448526 /nfs/dbraw/zinc/44/85/26/375448526.db2.gz OVLWQJDGPVRQHM-UHFFFAOYSA-N 1 0 274.408 2.763 50 0 CFAARO Fc1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000095441421 375450773 /nfs/dbraw/zinc/45/07/73/375450773.db2.gz QZLQTNFHIPPBCV-LBPRGKRZSA-N 1 0 298.789 2.638 50 0 CFAARO Cc1ncccc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000095448795 375453183 /nfs/dbraw/zinc/45/31/83/375453183.db2.gz YDAUXVYSRODIRZ-INIZCTEOSA-N 1 0 262.397 2.811 50 0 CFAARO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)C[C@@H](O)c1cccs1 ZINC000095448921 375453281 /nfs/dbraw/zinc/45/32/81/375453281.db2.gz FITZRJRLSHTALU-IINYFYTJSA-N 1 0 293.436 2.700 50 0 CFAARO Cc1ncsc1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000095448794 375453774 /nfs/dbraw/zinc/45/37/74/375453774.db2.gz HYAVTGWCTKCQBN-CYBMUJFWSA-N 1 0 268.426 2.872 50 0 CFAARO CC1CCC(C[NH2+]CC2CCC(C(N)=O)CC2)CC1 ZINC000095449347 375454091 /nfs/dbraw/zinc/45/40/91/375454091.db2.gz SDQQFPHPKAEINR-UHFFFAOYSA-N 1 0 266.429 2.694 50 0 CFAARO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000097159158 375531757 /nfs/dbraw/zinc/53/17/57/375531757.db2.gz ZJYUROZPBHMPHN-UHFFFAOYSA-N 1 0 287.363 2.726 50 0 CFAARO COCC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000097159735 375533059 /nfs/dbraw/zinc/53/30/59/375533059.db2.gz IDDBVCRGIZHSGF-UHFFFAOYSA-N 1 0 285.347 2.569 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000097159440 375533253 /nfs/dbraw/zinc/53/32/53/375533253.db2.gz YWBDYNAYQBJRMT-CQSZACIVSA-N 1 0 279.771 2.503 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000097159341 375533423 /nfs/dbraw/zinc/53/34/23/375533423.db2.gz CCOLKWRTFUVXCA-HNNXBMFYSA-N 1 0 292.814 2.764 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]CCCOc1ccccc1F ZINC000097159570 375533812 /nfs/dbraw/zinc/53/38/12/375533812.db2.gz DJQAQFTVTHBPNX-UHFFFAOYSA-N 1 0 277.343 2.724 50 0 CFAARO C[C@H]1CN(C2CC(c3cccc(F)c3)C2)C[C@H](C)[NH2+]1 ZINC000097165802 375534872 /nfs/dbraw/zinc/53/48/72/375534872.db2.gz ADVOKXJUMRZTRF-AVHCAHFISA-N 1 0 262.372 2.754 50 0 CFAARO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccnc3)C2)n1 ZINC000097200934 375538847 /nfs/dbraw/zinc/53/88/47/375538847.db2.gz HKIUJIPKTPMTSV-MRXNPFEDSA-N 1 0 282.391 2.719 50 0 CFAARO OC[C@@H]1CC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000097230856 375541700 /nfs/dbraw/zinc/54/17/00/375541700.db2.gz CUGHMFSERFBZCK-CYBMUJFWSA-N 1 0 294.826 2.754 50 0 CFAARO CSC[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000096478003 375488271 /nfs/dbraw/zinc/48/82/71/375488271.db2.gz ALPJKBYTQKBDDT-ZFWWWQNUSA-N 1 0 264.438 2.602 50 0 CFAARO CC[C@H](CO)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000096493547 375489494 /nfs/dbraw/zinc/48/94/94/375489494.db2.gz XVWYMZINJYVBAN-CYBMUJFWSA-N 1 0 282.815 2.669 50 0 CFAARO Cc1ccccc1C[C@@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000096477640 375489509 /nfs/dbraw/zinc/48/95/09/375489509.db2.gz PIFFTAOBIVFFPN-MRXNPFEDSA-N 1 0 290.451 2.626 50 0 CFAARO C/C=C/C=C\C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000096646193 375491148 /nfs/dbraw/zinc/49/11/48/375491148.db2.gz QEGXTTJUUCOBEV-DEQVHDEQSA-N 1 0 299.418 2.818 50 0 CFAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC2(C1)CCCCC2 ZINC000097019168 375496296 /nfs/dbraw/zinc/49/62/96/375496296.db2.gz IXZBTJBELFLBJX-MRXNPFEDSA-N 1 0 286.419 2.739 50 0 CFAARO Cc1ccc([C@H](C)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000097037665 375498509 /nfs/dbraw/zinc/49/85/09/375498509.db2.gz WNZAYVBMCJIMET-AWEZNQCLSA-N 1 0 272.396 2.926 50 0 CFAARO CC(C)C[NH+]1CCC(Nc2ccnn2CC2CC2)CC1 ZINC000097038217 375498619 /nfs/dbraw/zinc/49/86/19/375498619.db2.gz MGEHUQRPYAJARZ-UHFFFAOYSA-N 1 0 276.428 2.825 50 0 CFAARO CO[C@H](CNC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000097082154 375508717 /nfs/dbraw/zinc/50/87/17/375508717.db2.gz JZLKHVBSAGFLMN-QGZVFWFLSA-N 1 0 294.414 2.976 50 0 CFAARO COc1cc(F)cc(NC(=O)N(CC[NH+](C)C)C(C)C)c1 ZINC000097081510 375509317 /nfs/dbraw/zinc/50/93/17/375509317.db2.gz KMTPJJSCPVVEKE-UHFFFAOYSA-N 1 0 297.374 2.638 50 0 CFAARO O=C1OCCN1c1ccc(C[NH2+]Cc2cccc(O)c2)cc1 ZINC000097083985 375510235 /nfs/dbraw/zinc/51/02/35/375510235.db2.gz GVFWFJFPCGWOQM-UHFFFAOYSA-N 1 0 298.342 2.639 50 0 CFAARO Cc1ccc(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)o1 ZINC000097083987 375510446 /nfs/dbraw/zinc/51/04/46/375510446.db2.gz PFERLTJSJHIHGT-UHFFFAOYSA-N 1 0 286.331 2.834 50 0 CFAARO Cc1nn(-c2ccccc2)cc1CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000097095609 375515985 /nfs/dbraw/zinc/51/59/85/375515985.db2.gz QWODRMFPDPNWKV-RDTXWAMCSA-N 1 0 298.434 2.882 50 0 CFAARO CCNC(=O)CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000097102992 375518192 /nfs/dbraw/zinc/51/81/92/375518192.db2.gz VFUWETZJCXGFIO-UHFFFAOYSA-N 1 0 297.280 2.802 50 0 CFAARO CC1([C@@H]2CCC[N@H+](Cc3cccs3)C2)OCCO1 ZINC000097108676 375521832 /nfs/dbraw/zinc/52/18/32/375521832.db2.gz IRBWKUFGDMCEGQ-GFCCVEGCSA-N 1 0 267.394 2.723 50 0 CFAARO c1cc(N2CCCC2)ncc1C[N@@H+]1CCCSCC1 ZINC000097113635 375524943 /nfs/dbraw/zinc/52/49/43/375524943.db2.gz UZMIMVLJHFBGOT-UHFFFAOYSA-N 1 0 277.437 2.621 50 0 CFAARO Cc1ncccc1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000097139207 375527364 /nfs/dbraw/zinc/52/73/64/375527364.db2.gz RMNMKCCQXVPCQK-OAHLLOKOSA-N 1 0 284.407 2.578 50 0 CFAARO CN1CCN(C(=O)c2ccnc(/C=C/C(C)(C)C)c2)CC1 ZINC000097823090 375585556 /nfs/dbraw/zinc/58/55/56/375585556.db2.gz XKBZNVORJFBKPV-FNORWQNLSA-N 1 0 287.407 2.529 50 0 CFAARO C/C=C/C=C\C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000097994364 375589331 /nfs/dbraw/zinc/58/93/31/375589331.db2.gz WFRZJGOIBJHKKV-ICWBMWKASA-N 1 0 285.391 2.509 50 0 CFAARO C[C@H](CCO)[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000097373187 375553324 /nfs/dbraw/zinc/55/33/24/375553324.db2.gz NIJIOQBRMAKMQP-WBMJQRKESA-N 1 0 274.339 2.671 50 0 CFAARO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2CCO)cc1C ZINC000097636733 375574821 /nfs/dbraw/zinc/57/48/21/375574821.db2.gz GNSPIJCPPPIBKO-OAHLLOKOSA-N 1 0 263.381 2.659 50 0 CFAARO Cc1n[nH]c(C)c1-c1ccc(C[NH+]2CCCC2)cn1 ZINC000097785242 375584924 /nfs/dbraw/zinc/58/49/24/375584924.db2.gz UYNYLXAAXZCXSC-UHFFFAOYSA-N 1 0 256.353 2.684 50 0 CFAARO CC/C=C(\C)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000101395811 375636039 /nfs/dbraw/zinc/63/60/39/375636039.db2.gz IEQSGZYNKHGYDE-GLNPCMGASA-N 1 0 260.381 2.762 50 0 CFAARO CC/C=C(\C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000103454120 375747135 /nfs/dbraw/zinc/74/71/35/375747135.db2.gz JASAKMKSXQVAGU-VKUYVZBCSA-N 1 0 266.410 2.823 50 0 CFAARO Cc1ccc(O)c(C[NH2+][C@@H]2CCOc3ccccc32)n1 ZINC000112716344 375954922 /nfs/dbraw/zinc/95/49/22/375954922.db2.gz PJQHNEIYMOZUFC-CYBMUJFWSA-N 1 0 270.332 2.709 50 0 CFAARO CCCCOC[n+]1ccn(CCOc2ccccc2)c1 ZINC000261492862 190039175 /nfs/dbraw/zinc/03/91/75/190039175.db2.gz KQQKSVPMTQXALZ-UHFFFAOYSA-N 1 0 275.372 2.629 50 0 CFAARO CCCCOCn1cc[n+](COCc2ccccc2)c1 ZINC000261493030 190039298 /nfs/dbraw/zinc/03/92/98/190039298.db2.gz YGWOYBJRMHNGNB-UHFFFAOYSA-N 1 0 275.372 2.724 50 0 CFAARO C[N@@H+]1CCC[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CC1 ZINC000114076418 376046581 /nfs/dbraw/zinc/04/65/81/376046581.db2.gz HJSVTGMOYMJFLA-ZDUSSCGKSA-N 1 0 278.783 2.540 50 0 CFAARO CN(CC(=O)NCCC1=CCCCC1)Cc1cccnc1 ZINC000120396647 376608617 /nfs/dbraw/zinc/60/86/17/376608617.db2.gz UJHFSBQJXNCFFQ-UHFFFAOYSA-N 1 0 287.407 2.520 50 0 CFAARO C[NH+]1CCN(CCCSc2ncc(C(C)(C)C)o2)CC1 ZINC000131032363 377648392 /nfs/dbraw/zinc/64/83/92/377648392.db2.gz NAXACHJZQVVXDT-UHFFFAOYSA-N 1 0 297.468 2.702 50 0 CFAARO CSC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000131586303 377734145 /nfs/dbraw/zinc/73/41/45/377734145.db2.gz XTZZDGAGSLXOLZ-NXEZZACHSA-N 1 0 253.367 2.817 50 0 CFAARO CCc1noc(C)c1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000132402017 377835386 /nfs/dbraw/zinc/83/53/86/377835386.db2.gz CWNRIVRBNPNCHY-ZDUSSCGKSA-N 1 0 266.385 2.981 50 0 CFAARO c1ccc2c(c1)CCC[C@]21C[C@H]1C[NH2+]Cc1cncnc1 ZINC000151405115 378324370 /nfs/dbraw/zinc/32/43/70/378324370.db2.gz KALNASUXUJYUKF-FUHWJXTLSA-N 1 0 279.387 2.860 50 0 CFAARO CSCc1nnc(SCC[C@H]2CCCC[N@@H+]2C)o1 ZINC000330033369 378521451 /nfs/dbraw/zinc/52/14/51/378521451.db2.gz ZQXZVGGRULBCAK-SNVBAGLBSA-N 1 0 287.454 2.899 50 0 CFAARO CSCc1nnc(SCC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000330033367 378521801 /nfs/dbraw/zinc/52/18/01/378521801.db2.gz ZQXZVGGRULBCAK-JTQLQIEISA-N 1 0 287.454 2.899 50 0 CFAARO Cc1ccc(CCCC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)s1 ZINC000154133498 378541378 /nfs/dbraw/zinc/54/13/78/378541378.db2.gz OSHISXRGXYPQIT-TXEJJXNPSA-N 1 0 280.437 2.588 50 0 CFAARO CC[C@@H](NCC[N@H+](C)C1CCCCC1)c1cnn(C)c1 ZINC000157405944 378654620 /nfs/dbraw/zinc/65/46/20/378654620.db2.gz BSZAFSYOHRMJPC-MRXNPFEDSA-N 1 0 278.444 2.725 50 0 CFAARO O=C([C@@H]1C[C@H]1c1cccc(Cl)c1Cl)N1CC[NH2+]CC1 ZINC000159341766 378703361 /nfs/dbraw/zinc/70/33/61/378703361.db2.gz HEKBWLHMBDPCHC-WDEREUQCSA-N 1 0 299.201 2.529 50 0 CFAARO COC1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000130253458 284727799 /nfs/dbraw/zinc/72/77/99/284727799.db2.gz ZGGKJLOCBCQAKX-VXGBXAGGSA-N 1 0 295.345 2.893 50 0 CFAARO C[C@H](CC[N@@H+](C)[C@@H](C)C[S@](C)=O)c1ccccc1 ZINC000170607118 379126276 /nfs/dbraw/zinc/12/62/76/379126276.db2.gz FRANEKMOHVLMRS-GLJUWKHASA-N 1 0 267.438 2.879 50 0 CFAARO CCCc1nc(C[NH2+][C@@H]2CCC[C@]2(C)CO)cs1 ZINC000170607224 379126752 /nfs/dbraw/zinc/12/67/52/379126752.db2.gz QRUGONRZGVJHGI-TZMCWYRMSA-N 1 0 268.426 2.736 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(F)c(F)cc1F ZINC000170082865 379116533 /nfs/dbraw/zinc/11/65/33/379116533.db2.gz DXGBJIOFZCMYDV-XPTSAGLGSA-N 1 0 272.314 2.806 50 0 CFAARO FC(F)(F)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000174189845 379842351 /nfs/dbraw/zinc/84/23/51/379842351.db2.gz XLWXBWDGOMUDBI-LLVKDONJSA-N 1 0 251.292 2.830 50 0 CFAARO CC(C)Cc1ccc(CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000408519128 380936261 /nfs/dbraw/zinc/93/62/61/380936261.db2.gz AUEVANPMWBAIHY-PBHICJAKSA-N 1 0 288.435 2.766 50 0 CFAARO Cc1c[nH]cc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000408526031 380942149 /nfs/dbraw/zinc/94/21/49/380942149.db2.gz KBEQVBIHKYZMTO-UHFFFAOYSA-N 1 0 257.337 2.637 50 0 CFAARO Cc1ncc(COC(=O)C[C@@H](C[NH3+])CC(C)C)s1 ZINC000408525587 380942396 /nfs/dbraw/zinc/94/23/96/380942396.db2.gz GGRYXBXXEXOUKY-NSHDSACASA-N 1 0 270.398 2.506 50 0 CFAARO Cc1cc2c(CC[NH3+])c[nH]c2c(Br)c1 ZINC000000294801 169599941 /nfs/dbraw/zinc/59/99/41/169599941.db2.gz KVKNRVFJKKKJBO-UHFFFAOYSA-N 1 0 253.143 2.740 50 0 CFAARO [NH3+]CCN1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000299755912 382042113 /nfs/dbraw/zinc/04/21/13/382042113.db2.gz AIZCQHTWPICSDA-QGZVFWFLSA-N 1 0 286.350 2.720 50 0 CFAARO CSCC1CC[NH+](Cc2cncn2C2CC2)CC1 ZINC000299769193 382043686 /nfs/dbraw/zinc/04/36/86/382043686.db2.gz LLGSMMNSHHOIDB-UHFFFAOYSA-N 1 0 265.426 2.793 50 0 CFAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)C1CC=CC1 ZINC000299767037 382044403 /nfs/dbraw/zinc/04/44/03/382044403.db2.gz BCCAJNPKEVXMIL-UHFFFAOYSA-N 1 0 298.430 2.948 50 0 CFAARO COc1ccccc1[C@H]1C[NH2+]Cc2ccccc2O1 ZINC000299787722 382048696 /nfs/dbraw/zinc/04/86/96/382048696.db2.gz XDEKWEBAZDGHJB-MRXNPFEDSA-N 1 0 255.317 2.919 50 0 CFAARO C[C@@H]1CC[C@H](C[NH+]2CCC(Cc3cccnc3)CC2)O1 ZINC000376997515 382199667 /nfs/dbraw/zinc/19/96/67/382199667.db2.gz MKVUBWNENOBWNR-RHSMWYFYSA-N 1 0 274.408 2.904 50 0 CFAARO Cc1nc(CO[C@@H]2CCN(c3cc[nH+]c(C)c3)C2)cs1 ZINC000377181057 382232657 /nfs/dbraw/zinc/23/26/57/382232657.db2.gz ZEPCURFHCKSEDU-OAHLLOKOSA-N 1 0 289.404 2.950 50 0 CFAARO CC(C)CC(C)(C)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377848106 382357105 /nfs/dbraw/zinc/35/71/05/382357105.db2.gz UFBZMQDKLZKYHU-HNNXBMFYSA-N 1 0 280.456 2.907 50 0 CFAARO CC[NH+](CC)CCNc1ncnc2c3ccccc3[nH]c21 ZINC000000485618 169653977 /nfs/dbraw/zinc/65/39/77/169653977.db2.gz XHUVIOFDVNVQHJ-UHFFFAOYSA-N 1 0 283.379 2.865 50 0 CFAARO Cc1cc2n(n1)C[C@@H](C[NH2+][C@H](C)c1ccc(C)s1)CN2 ZINC000065623795 184568923 /nfs/dbraw/zinc/56/89/23/184568923.db2.gz FCSNDHOAHPTAEO-OLZOCXBDSA-N 1 0 290.436 2.954 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2F)C1 ZINC000189133979 382551377 /nfs/dbraw/zinc/55/13/77/382551377.db2.gz RZGDENCVMOKFQR-GFCCVEGCSA-N 1 0 298.789 2.779 50 0 CFAARO Cc1cc(NC(=O)Nc2ccc(C[NH+](C)C)cc2)no1 ZINC000045030516 184563746 /nfs/dbraw/zinc/56/37/46/184563746.db2.gz CIJZSPALMLGVJG-UHFFFAOYSA-N 1 0 274.324 2.689 50 0 CFAARO CC(C)(Cc1ccc(C(F)(F)F)cc1)[NH2+]CCO ZINC000190678270 382677460 /nfs/dbraw/zinc/67/74/60/382677460.db2.gz TXONDTWMNSXPAG-UHFFFAOYSA-N 1 0 261.287 2.608 50 0 CFAARO Cc1c(NC(=O)C[N@@H+](C)C(C)C)cnn1C1CCCC1 ZINC000192997801 382714456 /nfs/dbraw/zinc/71/44/56/382714456.db2.gz DAPQIPQERTXNGF-UHFFFAOYSA-N 1 0 278.400 2.585 50 0 CFAARO COC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccc(Cl)cc1 ZINC000193667365 382722125 /nfs/dbraw/zinc/72/21/25/382722125.db2.gz ZWCTUMFGPAZEDE-OAHLLOKOSA-N 1 0 293.798 2.822 50 0 CFAARO C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194060988 382734341 /nfs/dbraw/zinc/73/43/41/382734341.db2.gz VQUAZPZNVWOREO-BQBZGAKWSA-N 1 0 264.188 2.542 50 0 CFAARO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000195115911 382762285 /nfs/dbraw/zinc/76/22/85/382762285.db2.gz KNVQWOCLGCEGRH-KGLIPLIRSA-N 1 0 290.407 2.529 50 0 CFAARO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)ccn1C ZINC000195147573 382762737 /nfs/dbraw/zinc/76/27/37/382762737.db2.gz HKQXFHVYACOMCU-KRWDZBQOSA-N 1 0 299.418 2.675 50 0 CFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000195529693 382768968 /nfs/dbraw/zinc/76/89/68/382768968.db2.gz RYBBGEILDAKLLE-MSOLQXFVSA-N 1 0 294.398 2.573 50 0 CFAARO CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000195549522 382769821 /nfs/dbraw/zinc/76/98/21/382769821.db2.gz URWBSVFZEIGXOS-ZIAGYGMSSA-N 1 0 287.407 2.822 50 0 CFAARO Cc1c[nH+]c(C)n1CCNC(=O)CC1CCCCC1 ZINC000575556538 382773780 /nfs/dbraw/zinc/77/37/80/382773780.db2.gz YTGVOKBJVQDHIX-UHFFFAOYSA-N 1 0 263.385 2.587 50 0 CFAARO Cc1cccnc1C[C@@H](C)[N@H+](C)Cc1cccc2nonc21 ZINC000215224001 382777982 /nfs/dbraw/zinc/77/79/82/382777982.db2.gz SMWNDMDSQMAZOT-CYBMUJFWSA-N 1 0 296.374 2.989 50 0 CFAARO C[C@@H](Cc1cnccn1)[N@H+](C)Cc1ccc(Cl)o1 ZINC000215467976 382779295 /nfs/dbraw/zinc/77/92/95/382779295.db2.gz UFIPAPSCCOXKNQ-JTQLQIEISA-N 1 0 265.744 2.786 50 0 CFAARO C[N@H+](Cc1cccc2nonc21)C1Cc2ccccc2C1 ZINC000215792471 382780225 /nfs/dbraw/zinc/78/02/25/382780225.db2.gz NXIWWRJBRFXPFI-UHFFFAOYSA-N 1 0 279.343 2.822 50 0 CFAARO CSc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000215955825 382781305 /nfs/dbraw/zinc/78/13/05/382781305.db2.gz KFTURFRPZXOCPY-UHFFFAOYSA-N 1 0 261.394 2.774 50 0 CFAARO CCc1ccc(C[N@H+](C)CCCc2nccn2C)o1 ZINC000216420399 382783771 /nfs/dbraw/zinc/78/37/71/382783771.db2.gz HTQMHCIONDDCNT-UHFFFAOYSA-N 1 0 261.369 2.640 50 0 CFAARO CN(CCCc1nccn1C)CC(C)(C)[NH+]1CCCCC1 ZINC000216527542 382784058 /nfs/dbraw/zinc/78/40/58/382784058.db2.gz WNUPUZJUWHRUPB-UHFFFAOYSA-N 1 0 292.471 2.549 50 0 CFAARO Cc1ccc(CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)o1 ZINC000194300423 382739386 /nfs/dbraw/zinc/73/93/86/382739386.db2.gz QGLYFGIHUXUCMV-ZDUSSCGKSA-N 1 0 295.427 2.706 50 0 CFAARO CC[N@@H+]1CC[C@H](Nc2cccc3c2OCCO3)[C@@H](C)C1 ZINC000221871335 382799846 /nfs/dbraw/zinc/79/98/46/382799846.db2.gz AIJCHPNYHMWZHA-STQMWFEESA-N 1 0 276.380 2.600 50 0 CFAARO CC(C)(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229203095 382850566 /nfs/dbraw/zinc/85/05/66/382850566.db2.gz LFDIQXNWYYONHD-CVEARBPZSA-N 1 0 277.408 2.652 50 0 CFAARO Cc1cccc(CN2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000225409919 382815319 /nfs/dbraw/zinc/81/53/19/382815319.db2.gz ZJDQBLBXGCDEGJ-UHFFFAOYSA-N 1 0 271.335 2.838 50 0 CFAARO CNC(=O)C(C)(C)C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000225415140 382815949 /nfs/dbraw/zinc/81/59/49/382815949.db2.gz FOVGLUCAIKUESK-HNNXBMFYSA-N 1 0 276.424 2.788 50 0 CFAARO CSc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000225494946 382817299 /nfs/dbraw/zinc/81/72/99/382817299.db2.gz CCWZZFNCHWTIDA-JSGCOSHPSA-N 1 0 290.432 2.575 50 0 CFAARO COC(=O)CCCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000225519508 382817646 /nfs/dbraw/zinc/81/76/46/382817646.db2.gz HOSZLPBVIHSVMG-HNNXBMFYSA-N 1 0 261.365 2.949 50 0 CFAARO Cc1nnc(CN(C)CCc2ccc(F)cc2Cl)n1C ZINC000225638522 382819550 /nfs/dbraw/zinc/81/95/50/382819550.db2.gz QRERKATXTXSNHT-UHFFFAOYSA-N 1 0 296.777 2.591 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)C1 ZINC000229405749 382851483 /nfs/dbraw/zinc/85/14/83/382851483.db2.gz MTLOBGZEUWKBSA-WMLDXEAASA-N 1 0 295.386 2.647 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000230125457 382856009 /nfs/dbraw/zinc/85/60/09/382856009.db2.gz WGWDMBICIBRNAI-YOEHRIQHSA-N 1 0 285.391 2.729 50 0 CFAARO C[N@H+](CCCOc1ccc(F)cc1)CC1(C)COC1 ZINC000441177041 382898236 /nfs/dbraw/zinc/89/82/36/382898236.db2.gz IFTIFPDXXBGDML-UHFFFAOYSA-N 1 0 267.344 2.563 50 0 CFAARO CCc1ccc([C@H](C)C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000236970093 382938794 /nfs/dbraw/zinc/93/87/94/382938794.db2.gz SHJFTEZMWZFQNM-HEHGZKQESA-N 1 0 274.408 2.691 50 0 CFAARO CN(C(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C1CC[NH2+]CC1 ZINC000237088965 382950138 /nfs/dbraw/zinc/95/01/38/382950138.db2.gz RQAQOUVFHVZMPG-UONOGXRCSA-N 1 0 292.810 2.654 50 0 CFAARO C[NH2+]CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000237281959 382955162 /nfs/dbraw/zinc/95/51/62/382955162.db2.gz GOQLCBFQOCYCKZ-UHFFFAOYSA-N 1 0 276.286 2.790 50 0 CFAARO C[NH2+]C[C@H]1CCCN(C(=O)c2sccc2C(C)C)C1 ZINC000237315507 382956485 /nfs/dbraw/zinc/95/64/85/382956485.db2.gz RHQRGTJPVWZXRA-GFCCVEGCSA-N 1 0 280.437 2.943 50 0 CFAARO CSCc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000237384930 382958842 /nfs/dbraw/zinc/95/88/42/382958842.db2.gz YNLKYWIBURNIOR-DOMZBBRYSA-N 1 0 292.448 2.892 50 0 CFAARO CSCc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000237385455 382958850 /nfs/dbraw/zinc/95/88/50/382958850.db2.gz HLKPYTOSDACDGT-SMDDNHRTSA-N 1 0 278.421 2.501 50 0 CFAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)CCCc1ccc(F)c(F)c1 ZINC000237587254 382965145 /nfs/dbraw/zinc/96/51/45/382965145.db2.gz SQCBPAKVNTWMML-WCQYABFASA-N 1 0 296.361 2.626 50 0 CFAARO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(C)(C)[NH3+] ZINC000236907321 382928795 /nfs/dbraw/zinc/92/87/95/382928795.db2.gz WVFOHFPTJJXZKF-GFCCVEGCSA-N 1 0 278.396 2.526 50 0 CFAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000237844914 382972143 /nfs/dbraw/zinc/97/21/43/382972143.db2.gz YDRJSEZREZCWEM-SCOAYWHSSA-N 1 0 295.386 2.588 50 0 CFAARO [NH3+]C1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)CC1 ZINC000237868137 382972306 /nfs/dbraw/zinc/97/23/06/382972306.db2.gz DOPZWCZIURRHIX-DAFODLJHSA-N 1 0 299.201 2.956 50 0 CFAARO CCCCC[C@H]1[C@H]([NH2+]CCN(C)C)CC[C@H]1CC(=O)OC ZINC000239433111 382981626 /nfs/dbraw/zinc/98/16/26/382981626.db2.gz XFNDXCULCBDGRM-ARFHVFGLSA-N 1 0 298.471 2.676 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2cccs2)C[C@H](C)O1 ZINC000241383083 382983635 /nfs/dbraw/zinc/98/36/35/382983635.db2.gz MSLOZIINFUGZID-YVECIDJPSA-N 1 0 269.410 2.717 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000241720915 382984738 /nfs/dbraw/zinc/98/47/38/382984738.db2.gz QTIFAMBTKHANIK-IXDOHACOSA-N 1 0 286.419 2.910 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CO)C1 ZINC000242339062 382985900 /nfs/dbraw/zinc/98/59/00/382985900.db2.gz ZEPVHIXVTXQWKD-BGTYHANMSA-N 1 0 288.435 2.573 50 0 CFAARO CN(Cc1cnc2ccccc2c1)C[C@H]1CCC[N@@H+]1C ZINC000243893460 382988479 /nfs/dbraw/zinc/98/84/79/382988479.db2.gz ARLXGUGZQDZAMI-MRXNPFEDSA-N 1 0 269.392 2.761 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc2nsnc2c1 ZINC000244574738 382990029 /nfs/dbraw/zinc/99/00/29/382990029.db2.gz CQNAXTQFYDQEJC-CYBMUJFWSA-N 1 0 290.436 2.607 50 0 CFAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1cccnc1 ZINC000244742178 382990959 /nfs/dbraw/zinc/99/09/59/382990959.db2.gz ODCAQZWSVNKQCE-MRXNPFEDSA-N 1 0 296.374 2.642 50 0 CFAARO Cc1cc2ccccc2n1CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000244840341 382992269 /nfs/dbraw/zinc/99/22/69/382992269.db2.gz ULGZHJCFCJJDAO-QGZVFWFLSA-N 1 0 285.435 2.976 50 0 CFAARO Cc1ccccc1CN(CCO)Cc1cc(C2CC2)on1 ZINC000244796198 382992430 /nfs/dbraw/zinc/99/24/30/382992430.db2.gz RUUZYJVGAAYLSP-UHFFFAOYSA-N 1 0 286.375 2.855 50 0 CFAARO CNc1nc(CN(C)[C@@H](C)c2ccccn2)cs1 ZINC000244811690 382993210 /nfs/dbraw/zinc/99/32/10/382993210.db2.gz SJJWBFMKFQELTC-JTQLQIEISA-N 1 0 262.382 2.773 50 0 CFAARO C[NH2+][C@@H](CC(C)C)C(=O)NCc1oc2ccccc2c1C ZINC000244852966 382993316 /nfs/dbraw/zinc/99/33/16/382993316.db2.gz VCTYRRIBBIDFRP-AWEZNQCLSA-N 1 0 288.391 2.992 50 0 CFAARO C[N@@H+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CCCOC1 ZINC000244900301 382995667 /nfs/dbraw/zinc/99/56/67/382995667.db2.gz ZZRZVUOMBYYBHG-ZDUSSCGKSA-N 1 0 287.363 2.595 50 0 CFAARO Cc1cc(N2CCC(CNC(=O)c3ccoc3)CC2)cc[nH+]1 ZINC000245180755 382995834 /nfs/dbraw/zinc/99/58/34/382995834.db2.gz ZJOADDRNCJBMFY-UHFFFAOYSA-N 1 0 299.374 2.629 50 0 CFAARO [NH3+]Cc1cccc(CC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000244998778 382995864 /nfs/dbraw/zinc/99/58/64/382995864.db2.gz KSYZXLJLVZLRRH-GOSISDBHSA-N 1 0 294.398 2.704 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1C ZINC000246152075 383064581 /nfs/dbraw/zinc/06/45/81/383064581.db2.gz SZIOYUUQRMSDON-XQQFMLRXSA-N 1 0 295.379 2.528 50 0 CFAARO COCc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000339086805 383144728 /nfs/dbraw/zinc/14/47/28/383144728.db2.gz YWQGCLVEEJHZFW-BBRMVZONSA-N 1 0 263.381 2.738 50 0 CFAARO CC1=C(C)C[C@H]([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)CC1 ZINC000585117403 383114647 /nfs/dbraw/zinc/11/46/47/383114647.db2.gz AYJYDTQBQZQFIM-OIISXLGYSA-N 1 0 281.440 2.889 50 0 CFAARO Fc1ccc(OCCCN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000247503422 383178973 /nfs/dbraw/zinc/17/89/73/383178973.db2.gz GFLQFFCNZFWXBM-INIZCTEOSA-N 1 0 292.398 2.765 50 0 CFAARO Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000248152643 383216107 /nfs/dbraw/zinc/21/61/07/383216107.db2.gz UTUTYAYTMYOUSK-ZWKOTPCHSA-N 1 0 299.418 2.907 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(F)c1 ZINC000248163008 383216993 /nfs/dbraw/zinc/21/69/93/383216993.db2.gz YMQDHCHTEKPRHO-HUUCEWRRSA-N 1 0 276.355 2.525 50 0 CFAARO OC[C@H]([C@H]([NH2+]Cc1ccccc1F)C1CC1)C1CC1 ZINC000449514789 383349441 /nfs/dbraw/zinc/34/94/41/383349441.db2.gz YXFJSRWUZOLOEK-GOEBONIOSA-N 1 0 263.356 2.712 50 0 CFAARO Cc1nc(-c2ccc([C@@H](C)[NH+](C)C)cc2)cc(=O)[nH]1 ZINC000426414717 383398766 /nfs/dbraw/zinc/39/87/66/383398766.db2.gz RBMKQMXCFOGKRV-SNVBAGLBSA-N 1 0 257.337 2.780 50 0 CFAARO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)n(C)n1 ZINC000426412466 383399157 /nfs/dbraw/zinc/39/91/57/383399157.db2.gz NCVHLGOFOWJVFQ-HNNXBMFYSA-N 1 0 284.407 2.749 50 0 CFAARO Cn1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000426555467 383405396 /nfs/dbraw/zinc/40/53/96/383405396.db2.gz IOJHOZZDZUODSF-UHFFFAOYSA-N 1 0 271.364 2.562 50 0 CFAARO C[C@@H](Cc1ccccc1F)[N@@H+]1CCCC[C@H]1CO ZINC000252469969 383410496 /nfs/dbraw/zinc/41/04/96/383410496.db2.gz BRNHCAQZRAUXMI-JSGCOSHPSA-N 1 0 251.345 2.604 50 0 CFAARO CCc1nccn1CC[N@H+](C)Cc1ccc(C)cc1 ZINC000252481630 383411469 /nfs/dbraw/zinc/41/14/69/383411469.db2.gz CPRKLPHNPRKMMW-UHFFFAOYSA-N 1 0 257.381 2.886 50 0 CFAARO Cc1cc(-c2ccccc2)nc(CN2CCC[C@@H]([NH3+])CC2)n1 ZINC000252487797 383413135 /nfs/dbraw/zinc/41/31/35/383413135.db2.gz IBSCGOBDCDGGSL-MRXNPFEDSA-N 1 0 296.418 2.765 50 0 CFAARO CCc1ccc(CN2CC([N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000252500714 383413897 /nfs/dbraw/zinc/41/38/97/383413897.db2.gz TUNRPBGOPLDQCJ-AWEZNQCLSA-N 1 0 273.424 2.703 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2cc(Cl)ccc2Cl)C1 ZINC000255381227 383481303 /nfs/dbraw/zinc/48/13/03/383481303.db2.gz GWCNKJFGYANTAA-GZXOQBQISA-N 1 0 299.201 2.814 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C(/C)c2ccccc2Cl)C1 ZINC000255427968 383482132 /nfs/dbraw/zinc/48/21/32/383482132.db2.gz AFAYLSLFQRBWHD-SUIFULHWSA-N 1 0 292.810 2.811 50 0 CFAARO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000253393887 383454482 /nfs/dbraw/zinc/45/44/82/383454482.db2.gz BAALBEJWDMWAIK-KBPBESRZSA-N 1 0 278.421 2.889 50 0 CFAARO CCC[C@@H]1c2nccn2CCCN1C(=O)c1cc(C)no1 ZINC000253414874 383456350 /nfs/dbraw/zinc/45/63/50/383456350.db2.gz YWHNWJJWYWWENI-GFCCVEGCSA-N 1 0 288.351 2.567 50 0 CFAARO CCn1nccc1CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000253420500 383457464 /nfs/dbraw/zinc/45/74/64/383457464.db2.gz JXHHREJBOYHCBO-INIZCTEOSA-N 1 0 284.407 2.632 50 0 CFAARO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccsc1 ZINC000253420154 383457765 /nfs/dbraw/zinc/45/77/65/383457765.db2.gz UPQGUYZEGQAZBD-LLVKDONJSA-N 1 0 254.399 2.598 50 0 CFAARO CCn1nccc1CC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000253420881 383457799 /nfs/dbraw/zinc/45/77/99/383457799.db2.gz NGOZKEABIFDXFE-CRAIPNDOSA-N 1 0 299.418 2.908 50 0 CFAARO COc1cc(C(=O)OCC2([NH+](C)C)CC2)ccc1Cl ZINC000253426354 383458330 /nfs/dbraw/zinc/45/83/30/383458330.db2.gz ZLAQSZAGAVYFES-UHFFFAOYSA-N 1 0 283.755 2.600 50 0 CFAARO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc2nonc21 ZINC000253426307 383458624 /nfs/dbraw/zinc/45/86/24/383458624.db2.gz ZDJDMUHRQPADKD-AWEZNQCLSA-N 1 0 297.362 2.900 50 0 CFAARO CC(C)(CCCc1ccccc1)CNC1=[NH+]CCN1 ZINC000253424873 383458644 /nfs/dbraw/zinc/45/86/44/383458644.db2.gz QAWNHMLKRDFAOX-UHFFFAOYSA-N 1 0 259.397 2.584 50 0 CFAARO Cc1c[nH]c(C[N@H+](C)CCC[C@@H]2CCCO2)c(C)c1=O ZINC000253536767 383462346 /nfs/dbraw/zinc/46/23/46/383462346.db2.gz NTBFNUYIYOFFFK-CQSZACIVSA-N 1 0 278.396 2.795 50 0 CFAARO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)[S@](C)=O ZINC000252585939 383420815 /nfs/dbraw/zinc/42/08/15/383420815.db2.gz MGQMONDQBXSRLZ-AHHJTMGVSA-N 1 0 285.375 2.854 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)NC(C)C)CC1 ZINC000257185883 383491937 /nfs/dbraw/zinc/49/19/37/383491937.db2.gz XWYLPRJWKOTOIT-UHFFFAOYSA-N 1 0 290.411 2.824 50 0 CFAARO CCn1ncc(C[NH+]2CCC3(CC[C@H]3OC)CC2)c1C ZINC000257184487 383491977 /nfs/dbraw/zinc/49/19/77/383491977.db2.gz UVRNWHCKEZLPSS-OAHLLOKOSA-N 1 0 277.412 2.602 50 0 CFAARO O[C@@H]1CCC12CC[NH+](Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000257192281 383493727 /nfs/dbraw/zinc/49/37/27/383493727.db2.gz QMYAXNWEHIMTCH-MRXNPFEDSA-N 1 0 297.402 2.814 50 0 CFAARO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc2c[nH]nc2c1 ZINC000261621228 383530949 /nfs/dbraw/zinc/53/09/49/383530949.db2.gz GNGLJQRMEQGVMY-CQSZACIVSA-N 1 0 286.379 2.799 50 0 CFAARO C[C@H]1CCN(c2ncccn2)CC[N@@H+]1Cc1ccccc1 ZINC000266237114 384123679 /nfs/dbraw/zinc/12/36/79/384123679.db2.gz VSQXKHDTJXVTSS-HNNXBMFYSA-N 1 0 282.391 2.577 50 0 CFAARO C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(O)c(F)c1 ZINC000426374414 533038869 /nfs/dbraw/zinc/03/88/69/533038869.db2.gz RPCKVGNUDJSQBI-LLVKDONJSA-N 1 0 294.370 2.583 50 0 CFAARO Cc1noc(C)c1[C@H](C)CNc1ncnc(N)c1Cl ZINC000277897980 384435574 /nfs/dbraw/zinc/43/55/74/384435574.db2.gz UDZQISBGHZMMME-ZCFIWIBFSA-N 1 0 281.747 2.533 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280348904 384983905 /nfs/dbraw/zinc/98/39/05/384983905.db2.gz IEGMFNHXAZMZLV-IJEWVQPXSA-N 1 0 261.365 2.627 50 0 CFAARO CCCn1nnnc1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000119472874 412995294 /nfs/dbraw/zinc/99/52/94/412995294.db2.gz PHNMJOXJYDAQFK-CHWSQXEVSA-N 1 0 279.432 2.778 50 0 CFAARO COCC1(C[NH2+]Cc2ccc(F)c(F)c2)CCC1 ZINC000282154208 385230716 /nfs/dbraw/zinc/23/07/16/385230716.db2.gz XFJNYJGBHXOZAP-UHFFFAOYSA-N 1 0 255.308 2.871 50 0 CFAARO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000271031316 385310431 /nfs/dbraw/zinc/31/04/31/385310431.db2.gz HVVUNUMAPDDMML-SNVBAGLBSA-N 1 0 261.291 2.801 50 0 CFAARO C[N@H+](CCc1cccs1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000271901297 385396844 /nfs/dbraw/zinc/39/68/44/385396844.db2.gz GVFKIVFMTIHTFR-HZPDHXFCSA-N 1 0 273.401 2.881 50 0 CFAARO CCn1ncnc1C[NH2+]C[C@]1(c2ccccc2)CC1(C)C ZINC000639340954 385465501 /nfs/dbraw/zinc/46/55/01/385465501.db2.gz RWPBCHXSABWTQB-KRWDZBQOSA-N 1 0 284.407 2.756 50 0 CFAARO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(Cl)c3)[C@H]2C1 ZINC000272486038 385550140 /nfs/dbraw/zinc/55/01/40/385550140.db2.gz VNHJRPIXLNHDGH-RISCZKNCSA-N 1 0 293.798 2.898 50 0 CFAARO Cc1cc(N2CCC(C(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000274782962 385869519 /nfs/dbraw/zinc/86/95/19/385869519.db2.gz FGVPHGOVJZHQBP-UHFFFAOYSA-N 1 0 276.380 2.948 50 0 CFAARO OC[C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000096483861 285289941 /nfs/dbraw/zinc/28/99/41/285289941.db2.gz JMYJZCDPNOLWES-LRDDRELGSA-N 1 0 263.356 2.907 50 0 CFAARO O[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1Cl ZINC000097370847 285305630 /nfs/dbraw/zinc/30/56/30/285305630.db2.gz IVMDEAUYYOOGIA-MFKMUULPSA-N 1 0 271.813 2.859 50 0 CFAARO CCOC(=O)C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000000279879 259999448 /nfs/dbraw/zinc/99/94/48/259999448.db2.gz VKDBEGHCCOXYLD-JSGCOSHPSA-N 1 0 253.386 2.840 50 0 CFAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(C)cc1OC ZINC000002823577 256857711 /nfs/dbraw/zinc/85/77/11/256857711.db2.gz QCADWUZQBCWTNK-CQSZACIVSA-N 1 0 281.396 2.787 50 0 CFAARO C[C@@H]1CC([NH2+][C@@H](CCO)c2cccs2)C[C@@H](C)O1 ZINC000095988331 256882774 /nfs/dbraw/zinc/88/27/74/256882774.db2.gz MSLOZIINFUGZID-WZRBSPASSA-N 1 0 269.410 2.717 50 0 CFAARO c1cc(C2CCCC2)sc1CN1CC[NH2+]CC1 ZINC000222563614 256892068 /nfs/dbraw/zinc/89/20/68/256892068.db2.gz FWKQDOAKVWCSBH-UHFFFAOYSA-N 1 0 250.411 2.811 50 0 CFAARO O[C@]1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CCSC1 ZINC000225464417 285377001 /nfs/dbraw/zinc/37/70/01/285377001.db2.gz QYZZUDIEASFEAN-AXFHLTTASA-N 1 0 283.359 2.565 50 0 CFAARO Oc1ccc(CCC2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000064140191 285384845 /nfs/dbraw/zinc/38/48/45/285384845.db2.gz DVVWEANMMSABIS-UHFFFAOYSA-N 1 0 299.418 2.934 50 0 CFAARO CC[C@@H]1C[N@H+](CCS(C)(=O)=O)CC[C@H]1c1ccccc1 ZINC000245281204 131083873 /nfs/dbraw/zinc/08/38/73/131083873.db2.gz AFNFSUOLXPKCRW-GDBMZVCRSA-N 1 0 295.448 2.547 50 0 CFAARO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](C)C3)n2)cc1 ZINC000263651960 131302012 /nfs/dbraw/zinc/30/20/12/131302012.db2.gz BSBBESYMQJIKKR-NSHDSACASA-N 1 0 273.336 2.587 50 0 CFAARO C[C@@H]1CN(C(=[NH2+])c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000004323623 393457444 /nfs/dbraw/zinc/45/74/44/393457444.db2.gz QBUIZOZCKUPZGT-AOOOYVTPSA-N 1 0 252.745 2.775 50 0 CFAARO CC[C@@]1(C)C[C@@]2(CCC[N@H+](CCC(=O)OC)C2)CCO1 ZINC000004027604 393457520 /nfs/dbraw/zinc/45/75/20/393457520.db2.gz KKAGQDJCBNLWGS-JKSUJKDBSA-N 1 0 283.412 2.611 50 0 CFAARO CC(C)=CC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012718395 393476029 /nfs/dbraw/zinc/47/60/29/393476029.db2.gz DHPGRTMIABHNOM-QGZVFWFLSA-N 1 0 276.424 2.677 50 0 CFAARO Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000013404013 393477911 /nfs/dbraw/zinc/47/79/11/393477911.db2.gz BJXUGKXVPDLLME-UKRRQHHQSA-N 1 0 286.375 2.501 50 0 CFAARO Cc1ncc(-c2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)o1 ZINC000189929346 393575892 /nfs/dbraw/zinc/57/58/92/393575892.db2.gz DOEMTAWXBYOHJJ-LBPRGKRZSA-N 1 0 285.347 2.588 50 0 CFAARO CCC[N@@H+]1CC[C@@H](CNc2cnc3ccccc3n2)C1 ZINC000048894272 393607768 /nfs/dbraw/zinc/60/77/68/393607768.db2.gz QZKXLPDOWHMXDF-ZDUSSCGKSA-N 1 0 270.380 2.774 50 0 CFAARO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c(C)c1 ZINC000063193568 393630084 /nfs/dbraw/zinc/63/00/84/393630084.db2.gz YLQQQUQECDGTID-UKRRQHHQSA-N 1 0 260.381 2.645 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2O)CC1 ZINC000072140298 393642328 /nfs/dbraw/zinc/64/23/28/393642328.db2.gz HPCYSALVGVKMGX-GFCCVEGCSA-N 1 0 296.798 2.602 50 0 CFAARO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1 ZINC000195000115 393727101 /nfs/dbraw/zinc/72/71/01/393727101.db2.gz PIYDQEVYSKBYOJ-NSHDSACASA-N 1 0 288.347 2.655 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000096419233 393826962 /nfs/dbraw/zinc/82/69/62/393826962.db2.gz GGVCKTYLHILYTR-ZWKOTPCHSA-N 1 0 298.430 2.842 50 0 CFAARO Cc1ccccc1[C@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000096419234 393827112 /nfs/dbraw/zinc/82/71/12/393827112.db2.gz GGVCKTYLHILYTR-QZTJIDSGSA-N 1 0 298.430 2.842 50 0 CFAARO CCS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000096424518 393829701 /nfs/dbraw/zinc/82/97/01/393829701.db2.gz NPZBPOKYUNTKGA-MRXNPFEDSA-N 1 0 295.448 2.875 50 0 CFAARO OCCC[N@H+](Cc1ccccn1)[C@H]1CCc2ccccc21 ZINC000096424230 393829939 /nfs/dbraw/zinc/82/99/39/393829939.db2.gz MWZXOBKUWCRAHT-SFHVURJKSA-N 1 0 282.387 2.954 50 0 CFAARO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCCCCC2)C1 ZINC000110641727 393881508 /nfs/dbraw/zinc/88/15/08/393881508.db2.gz QRJJLLHDFYKSKX-UONOGXRCSA-N 1 0 284.469 2.605 50 0 CFAARO C[C@H](c1ccc(-c2nc(N(C)C)n(C)n2)cc1)[NH+]1CCCC1 ZINC000426728285 393889629 /nfs/dbraw/zinc/88/96/29/393889629.db2.gz NPZFHGFEGBNKFR-CYBMUJFWSA-N 1 0 299.422 2.705 50 0 CFAARO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000097165310 393840978 /nfs/dbraw/zinc/84/09/78/393840978.db2.gz MCKRJUYAQPOCRF-JSGCOSHPSA-N 1 0 263.385 2.655 50 0 CFAARO Cc1cn2c(n1)CC[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C2 ZINC000252510123 393936732 /nfs/dbraw/zinc/93/67/32/393936732.db2.gz ZBVOQQIZZABFRE-JSGCOSHPSA-N 1 0 271.364 2.563 50 0 CFAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+][C@H]1CCc2ccccc21 ZINC000252511625 393937268 /nfs/dbraw/zinc/93/72/68/393937268.db2.gz IVABNEZAKYDYOG-ARFHVFGLSA-N 1 0 277.433 2.910 50 0 CFAARO CC(C)N(Cc1cn(C)nn1)[C@@H](C)c1ccccc1 ZINC000428864322 393919087 /nfs/dbraw/zinc/91/90/87/393919087.db2.gz SWOAANNWFIGPDL-ZDUSSCGKSA-N 1 0 258.369 2.787 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2scnc2C(C)(C)C)C1 ZINC000156299806 394331813 /nfs/dbraw/zinc/33/18/13/394331813.db2.gz PZWFYXOOAPAOAD-WDEREUQCSA-N 1 0 295.452 2.640 50 0 CFAARO Cc1ccsc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000069874099 134944589 /nfs/dbraw/zinc/94/45/89/134944589.db2.gz JVRMKFYXBCQBKI-ZDUSSCGKSA-N 1 0 288.420 2.605 50 0 CFAARO [NH3+]C1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 ZINC000070458926 134949725 /nfs/dbraw/zinc/94/97/25/134949725.db2.gz RQOOXLYHWDVJOI-UHFFFAOYSA-N 1 0 288.782 2.725 50 0 CFAARO CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc32)CCO1 ZINC000453183119 394382159 /nfs/dbraw/zinc/38/21/59/394382159.db2.gz NLBDXCCTTPTULX-BFHYXJOUSA-N 1 0 263.385 2.511 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000032123531 542994876 /nfs/dbraw/zinc/99/48/76/542994876.db2.gz ONBLYVYAILTHQM-LLVKDONJSA-N 1 0 278.179 2.731 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[NH2+]CCc1ccccc1 ZINC000032131623 542994953 /nfs/dbraw/zinc/99/49/53/542994953.db2.gz LUOYDVMGVUODNK-KRWDZBQOSA-N 1 0 285.387 2.567 50 0 CFAARO COc1ncc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000824851793 781998466 /nfs/dbraw/zinc/99/84/66/781998466.db2.gz HSBSPLIZNWVGSR-AWEZNQCLSA-N 1 0 287.338 2.614 50 0 CFAARO Cc1ccc(C(N)=O)cc1-c1ccccc1C[NH+](C)C ZINC000096149103 292082449 /nfs/dbraw/zinc/08/24/49/292082449.db2.gz ZWCOMCZOUWNGAX-UHFFFAOYSA-N 1 0 268.360 2.823 50 0 CFAARO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000047298356 397584654 /nfs/dbraw/zinc/58/46/54/397584654.db2.gz XFASWBDYVSDHCO-OAHLLOKOSA-N 1 0 290.382 2.564 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CCC1 ZINC000000526112 397535424 /nfs/dbraw/zinc/53/54/24/397535424.db2.gz AMXKHKZYEPHIKK-RDJZCZTQSA-N 1 0 284.403 2.929 50 0 CFAARO c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCN(C2CC2)C1 ZINC000095421483 397591840 /nfs/dbraw/zinc/59/18/40/397591840.db2.gz PNCNYTAXBYROJZ-BBRMVZONSA-N 1 0 272.392 2.727 50 0 CFAARO C(=C\c1ccccc1)\C[N@@H+]1CCCC[C@H]1Cn1cncn1 ZINC000101138746 397593105 /nfs/dbraw/zinc/59/31/05/397593105.db2.gz WHMMCVBNEORLJZ-SKHCZCESSA-N 1 0 282.391 2.846 50 0 CFAARO CC[C@H]1CCC[C@@H](C[N@H+](CCOC)C(C)(C)CO)C1 ZINC000102141973 397593934 /nfs/dbraw/zinc/59/39/34/397593934.db2.gz GKYYFEWCDDACEK-LSDHHAIUSA-N 1 0 271.445 2.922 50 0 CFAARO C[C@@H]1CC([NH2+][C@H](CCO)c2cccs2)C[C@@H](C)O1 ZINC000108330007 397598073 /nfs/dbraw/zinc/59/80/73/397598073.db2.gz MSLOZIINFUGZID-NQBHXWOUSA-N 1 0 269.410 2.717 50 0 CFAARO COc1ccccc1/C=C/C[N@H+](C)CCc1cnn(C)c1 ZINC000215264514 397619360 /nfs/dbraw/zinc/61/93/60/397619360.db2.gz BNNXVZZRLZIJHW-SOFGYWHQSA-N 1 0 285.391 2.616 50 0 CFAARO Cc1cc(C(=O)N2CCC[N@@H+](C3CCC3)CC2)c(C)o1 ZINC000825145487 782003462 /nfs/dbraw/zinc/00/34/62/782003462.db2.gz RDUQSXOWMGJIFZ-UHFFFAOYSA-N 1 0 276.380 2.597 50 0 CFAARO O[C@]1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CCSC1 ZINC000252549250 304843665 /nfs/dbraw/zinc/84/36/65/304843665.db2.gz QYZZUDIEASFEAN-MXWKQRLJSA-N 1 0 283.359 2.565 50 0 CFAARO Cc1nc([C@H](C)C[NH+]2CCCC2)n(-c2ccccc2F)n1 ZINC000825290796 782007965 /nfs/dbraw/zinc/00/79/65/782007965.db2.gz IDPQNZOGFGWIQC-GFCCVEGCSA-N 1 0 288.370 2.914 50 0 CFAARO Cc1nnc(NC[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000825296667 782008399 /nfs/dbraw/zinc/00/83/99/782008399.db2.gz GKIQXLZUAWFHPI-NSHDSACASA-N 1 0 266.414 2.523 50 0 CFAARO OCc1ccc(CN2CCOc3cccc(F)c3C2)cc1 ZINC000374565807 157130088 /nfs/dbraw/zinc/13/00/88/157130088.db2.gz JQFIGJBUOCOJQD-UHFFFAOYSA-N 1 0 287.334 2.713 50 0 CFAARO COc1ccnc(C[NH+]2CCC(c3c[nH]nc3C)CC2)c1 ZINC000375349980 157230477 /nfs/dbraw/zinc/23/04/77/157230477.db2.gz RNCKLVDFOAFFOD-UHFFFAOYSA-N 1 0 286.379 2.501 50 0 CFAARO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000086485797 286627854 /nfs/dbraw/zinc/62/78/54/286627854.db2.gz UOWXWZSHFCAWDR-UONOGXRCSA-N 1 0 273.442 2.655 50 0 CFAARO Fc1ccc(-n2cc(C[NH2+][C@@H]3CCCSC3)cn2)cc1 ZINC000344714677 162104069 /nfs/dbraw/zinc/10/40/69/162104069.db2.gz FFSMCCZHWXDFOW-CQSZACIVSA-N 1 0 291.395 2.997 50 0 CFAARO CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)C(F)F ZINC000350019623 163052249 /nfs/dbraw/zinc/05/22/49/163052249.db2.gz QFFRIEDDJKCDMW-LBPRGKRZSA-N 1 0 288.382 2.612 50 0 CFAARO CC[C@H](C)c1ccc(OCCCC[NH2+]CCO)cc1 ZINC000003001110 169848975 /nfs/dbraw/zinc/84/89/75/169848975.db2.gz YEPQNWPLOCWGAJ-AWEZNQCLSA-N 1 0 265.397 2.941 50 0 CFAARO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000003538701 169895229 /nfs/dbraw/zinc/89/52/29/169895229.db2.gz CBRBYLKKZOYVTD-UHFFFAOYSA-N 1 0 260.381 2.974 50 0 CFAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)/C=C/c1ccco1 ZINC000004723170 170005220 /nfs/dbraw/zinc/00/52/20/170005220.db2.gz GVNDKMWDRWOECD-GWJCSSMESA-N 1 0 263.337 2.710 50 0 CFAARO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000004744656 170010433 /nfs/dbraw/zinc/01/04/33/170010433.db2.gz YXPRWBPEDVSELI-LBPRGKRZSA-N 1 0 264.344 2.886 50 0 CFAARO COc1ccc(OC)c(/C=C/c2cccc[n+]2C)c1 ZINC000004774576 170015032 /nfs/dbraw/zinc/01/50/32/170015032.db2.gz LNYASGKZZRKFSD-BQYQJAHWSA-N 1 0 256.325 2.699 50 0 CFAARO CCOc1ccc(NC(=O)CC[NH+](CC)CC)cc1 ZINC000004787886 170017780 /nfs/dbraw/zinc/01/77/80/170017780.db2.gz CDKHFZPGAXPOFE-UHFFFAOYSA-N 1 0 264.369 2.756 50 0 CFAARO COc1cc(C(C)=O)ccc1OCC[NH+]1CCCCC1 ZINC000004841331 170027972 /nfs/dbraw/zinc/02/79/72/170027972.db2.gz CAQJLOJVMWMNIP-UHFFFAOYSA-N 1 0 277.364 2.763 50 0 CFAARO COc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(C)CC3)c2c1 ZINC000004863112 170032056 /nfs/dbraw/zinc/03/20/56/170032056.db2.gz NIWBCNRJLSYIFY-QGZVFWFLSA-N 1 0 288.391 2.942 50 0 CFAARO Cc1ccccc1OC[C@H](O)C[NH2+]C1CCCCC1 ZINC000004867641 170033335 /nfs/dbraw/zinc/03/33/35/170033335.db2.gz DGCMPPHCVDJNTH-OAHLLOKOSA-N 1 0 263.381 2.657 50 0 CFAARO CCOc1ccc(Br)cc1C[NH+](C)C ZINC000004888829 170036116 /nfs/dbraw/zinc/03/61/16/170036116.db2.gz RKXISUYGNOMHNY-UHFFFAOYSA-N 1 0 258.159 2.909 50 0 CFAARO C[NH+](C)CCOCCOc1cccc2ccccc21 ZINC000004913849 170040572 /nfs/dbraw/zinc/04/05/72/170040572.db2.gz VHLXJHQHBIEZCY-UHFFFAOYSA-N 1 0 259.349 2.797 50 0 CFAARO OC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000004948206 170044432 /nfs/dbraw/zinc/04/44/32/170044432.db2.gz CTBXWKGZTPQJPA-LBPRGKRZSA-N 1 0 273.298 2.910 50 0 CFAARO COC(=O)c1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000004978641 170047956 /nfs/dbraw/zinc/04/79/56/170047956.db2.gz WMGYOGYXZVNZIU-UHFFFAOYSA-N 1 0 277.364 2.728 50 0 CFAARO COc1cc(C)c(C[NH+]2CCSCC2)cc1C ZINC000004978564 170048088 /nfs/dbraw/zinc/04/80/88/170048088.db2.gz IGZARWTXAVRPBO-UHFFFAOYSA-N 1 0 251.395 2.861 50 0 CFAARO c1csc(C[NH2+]Cc2ccc3c(c2)OCCO3)c1 ZINC000004999747 170052612 /nfs/dbraw/zinc/05/26/12/170052612.db2.gz RICGCCZFQYAQGC-UHFFFAOYSA-N 1 0 261.346 2.809 50 0 CFAARO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[NH2+]1 ZINC000005000665 170053430 /nfs/dbraw/zinc/05/34/30/170053430.db2.gz WRGOUPZDDOHXIW-LBPRGKRZSA-N 1 0 274.393 2.532 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000005023117 170057137 /nfs/dbraw/zinc/05/71/37/170057137.db2.gz CFMUYKXNSHGRPL-OKILXGFUSA-N 1 0 260.381 2.993 50 0 CFAARO C[NH+](C)CCNC(=O)Nc1cccc(Cl)c1Cl ZINC000005060299 170062072 /nfs/dbraw/zinc/06/20/72/170062072.db2.gz KRCDWRPSCJOVSK-UHFFFAOYSA-N 1 0 276.167 2.677 50 0 CFAARO COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000005219181 170077187 /nfs/dbraw/zinc/07/71/87/170077187.db2.gz NTTXUYBGMSYHFV-INIZCTEOSA-N 1 0 274.364 2.696 50 0 CFAARO CCOc1ccc(C(=O)OCC[NH+]2CCCCC2)cc1 ZINC000005247650 170078859 /nfs/dbraw/zinc/07/88/59/170078859.db2.gz QRHJPGNYOKOENA-UHFFFAOYSA-N 1 0 277.364 2.728 50 0 CFAARO Cc1ccc(CNC(=O)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000005794231 170140815 /nfs/dbraw/zinc/14/08/15/170140815.db2.gz OIXPNMJGPOPSEC-UHFFFAOYSA-N 1 0 288.435 2.979 50 0 CFAARO C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000005912743 170154272 /nfs/dbraw/zinc/15/42/72/170154272.db2.gz DWUUAAQDLWCZKR-CQSZACIVSA-N 1 0 271.360 2.736 50 0 CFAARO Cc1ccc(Cl)cc1NC(=O)NC1CC[NH+](C)CC1 ZINC000006726114 170232851 /nfs/dbraw/zinc/23/28/51/170232851.db2.gz GAMNAJRGBNICLX-UHFFFAOYSA-N 1 0 281.787 2.864 50 0 CFAARO Cc1cc(C)c(C(=O)NCC[NH+]2CCCCC2)c(C)c1 ZINC000006741027 170236836 /nfs/dbraw/zinc/23/68/36/170236836.db2.gz BENRZPJECNLIQO-UHFFFAOYSA-N 1 0 274.408 2.828 50 0 CFAARO CCC[NH+]1CCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC000006742196 170237995 /nfs/dbraw/zinc/23/79/95/170237995.db2.gz UNYUMDZMFOXRGS-UHFFFAOYSA-N 1 0 274.408 2.780 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000006742559 170238201 /nfs/dbraw/zinc/23/82/01/170238201.db2.gz MKAFDBJALZAOPL-UHFFFAOYSA-N 1 0 275.396 2.863 50 0 CFAARO COc1ccc2oc(=O)cc(C[NH+]3CCCCC3)c2c1 ZINC000006743171 170238529 /nfs/dbraw/zinc/23/85/29/170238529.db2.gz HZXNOESLXHYNQN-UHFFFAOYSA-N 1 0 273.332 2.788 50 0 CFAARO OCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000006889516 170253570 /nfs/dbraw/zinc/25/35/70/170253570.db2.gz FAQOTDKUJBGACR-UHFFFAOYSA-N 1 0 289.350 2.877 50 0 CFAARO CCCCC[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000007261252 170273963 /nfs/dbraw/zinc/27/39/63/170273963.db2.gz HMDWXLJEJVZGBK-UHFFFAOYSA-N 1 0 267.369 2.992 50 0 CFAARO COCC[C@@H]([NH2+]CCO)c1ccc(Cl)c(Cl)c1 ZINC000284356468 196037602 /nfs/dbraw/zinc/03/76/02/196037602.db2.gz DDPRVKBSWMNEMK-GFCCVEGCSA-N 1 0 278.179 2.653 50 0 CFAARO CC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000008227117 170325516 /nfs/dbraw/zinc/32/55/16/170325516.db2.gz BIQQGIYIOOUCHF-UHFFFAOYSA-N 1 0 274.158 2.576 50 0 CFAARO CC1(C)CC(NC(=O)Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000008664596 170344757 /nfs/dbraw/zinc/34/47/57/170344757.db2.gz SZHQAWFYQZACTR-UHFFFAOYSA-N 1 0 292.398 2.794 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000012382555 170482546 /nfs/dbraw/zinc/48/25/46/170482546.db2.gz IRMRFVJPVCBKRH-UHFFFAOYSA-N 1 0 280.799 2.943 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COC2CCCCC2)C1 ZINC000016579146 170702964 /nfs/dbraw/zinc/70/29/64/170702964.db2.gz KDIJQKVDTOMHMR-RBSFLKMASA-N 1 0 269.429 2.675 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000019496024 170814834 /nfs/dbraw/zinc/81/48/34/170814834.db2.gz QUPQDKOKZREOSB-NVXWUHKLSA-N 1 0 273.424 2.778 50 0 CFAARO COc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019735586 170849091 /nfs/dbraw/zinc/84/90/91/170849091.db2.gz QEBOYBVMAZLNLX-SFHVURJKSA-N 1 0 282.387 2.690 50 0 CFAARO O=C(Cc1ccccc1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019790060 170867311 /nfs/dbraw/zinc/86/73/11/170867311.db2.gz ZONZVGRQOSCENA-GOSISDBHSA-N 1 0 298.430 2.730 50 0 CFAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccn1 ZINC000020124380 171006444 /nfs/dbraw/zinc/00/64/44/171006444.db2.gz WLHPVKCBUOIBMR-NSHDSACASA-N 1 0 256.305 2.661 50 0 CFAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccn1 ZINC000020124379 171006493 /nfs/dbraw/zinc/00/64/93/171006493.db2.gz WLHPVKCBUOIBMR-LLVKDONJSA-N 1 0 256.305 2.661 50 0 CFAARO COc1cccc(C[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000020137612 171025138 /nfs/dbraw/zinc/02/51/38/171025138.db2.gz HNBFFAZQKSJJLC-HNNXBMFYSA-N 1 0 285.343 2.625 50 0 CFAARO COc1cccc(C[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000020137609 171025433 /nfs/dbraw/zinc/02/54/33/171025433.db2.gz HNBFFAZQKSJJLC-OAHLLOKOSA-N 1 0 285.343 2.625 50 0 CFAARO CC(C)/C=C/CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000020205613 171070490 /nfs/dbraw/zinc/07/04/90/171070490.db2.gz IWYUHDKQUSGBIA-DKFQHHCZSA-N 1 0 294.483 2.900 50 0 CFAARO CCCOc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000020305158 171141478 /nfs/dbraw/zinc/14/14/78/171141478.db2.gz GPGMZISIRDVBBB-UHFFFAOYSA-N 1 0 273.380 2.852 50 0 CFAARO CN(Cc1ncc[nH]1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000020450750 171207733 /nfs/dbraw/zinc/20/77/33/171207733.db2.gz FCWDODNSRRTYAU-KRWDZBQOSA-N 1 0 298.434 2.549 50 0 CFAARO Fc1cc(Br)ccc1OCC[NH2+]C1CC1 ZINC000020525466 171238170 /nfs/dbraw/zinc/23/81/70/171238170.db2.gz VEFHZUQFNLTDQB-UHFFFAOYSA-N 1 0 274.133 2.719 50 0 CFAARO Fc1ccc(OC2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000020540127 171241466 /nfs/dbraw/zinc/24/14/66/171241466.db2.gz IWNRGKKGBOUINS-UHFFFAOYSA-N 1 0 289.354 2.566 50 0 CFAARO CCCCOc1ccc(OCCN2CCOCC2)cc1 ZINC000020652859 171269048 /nfs/dbraw/zinc/26/90/48/171269048.db2.gz WICZFYFNTLOYDX-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO CC[C@H](C)Oc1ccc(OCCN2CCOCC2)cc1 ZINC000020653177 171269080 /nfs/dbraw/zinc/26/90/80/171269080.db2.gz FWQXIDQMKRGOIR-AWEZNQCLSA-N 1 0 279.380 2.575 50 0 CFAARO CCCOc1ccc(OCCCN2CCOCC2)cc1 ZINC000020652620 171269085 /nfs/dbraw/zinc/26/90/85/171269085.db2.gz ASEHBSPRNYEKRR-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO CCC(=O)c1ccccc1OCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020639288 171269148 /nfs/dbraw/zinc/26/91/48/171269148.db2.gz YYHPOBZNOJGLHZ-ZIAGYGMSSA-N 1 0 291.391 2.767 50 0 CFAARO c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1 ZINC000020653201 171269217 /nfs/dbraw/zinc/26/92/17/171269217.db2.gz ZWLYTGBEZLXBKP-UHFFFAOYSA-N 1 0 297.398 2.988 50 0 CFAARO CC[C@@H](C)Oc1ccccc1OCCCN1CCOCC1 ZINC000020652512 171269224 /nfs/dbraw/zinc/26/92/24/171269224.db2.gz XHRGCGSQTHWDSK-OAHLLOKOSA-N 1 0 293.407 2.965 50 0 CFAARO Cc1[nH]c2ccc(F)cc2c1CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000020878027 171277864 /nfs/dbraw/zinc/27/78/64/171277864.db2.gz METHNZKXPBCXSW-UHFFFAOYSA-N 1 0 298.365 2.939 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928321 171280419 /nfs/dbraw/zinc/28/04/19/171280419.db2.gz UFMBCUQEXMJUDT-VIFPVBQESA-N 1 0 278.179 2.863 50 0 CFAARO COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000020927922 171280442 /nfs/dbraw/zinc/28/04/42/171280442.db2.gz LGCPURRMYKWZHM-LLVKDONJSA-N 1 0 255.745 2.617 50 0 CFAARO CCc1[nH]nc(NC2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000020995250 171283822 /nfs/dbraw/zinc/28/38/22/171283822.db2.gz GVUPYQQKWNAZNF-UHFFFAOYSA-N 1 0 299.422 2.752 50 0 CFAARO COc1ccc(C[NH2+][C@H]2COc3ccccc3C2)c(F)c1 ZINC000020997575 171284009 /nfs/dbraw/zinc/28/40/09/171284009.db2.gz IZWLCOMYCVCAQC-CQSZACIVSA-N 1 0 287.334 2.928 50 0 CFAARO COc1ccc(C[NH2+]C[C@H](O)c2ccccc2)cc1 ZINC000022076128 171352193 /nfs/dbraw/zinc/35/21/93/171352193.db2.gz MSXNHQFOWTZXIY-INIZCTEOSA-N 1 0 257.333 2.518 50 0 CFAARO COc1ccc(C[N@H+](C)CCN(C)C)c2ccccc12 ZINC000022455393 171388334 /nfs/dbraw/zinc/38/83/34/171388334.db2.gz HBTAUZADCQANJW-UHFFFAOYSA-N 1 0 272.392 2.842 50 0 CFAARO Brc1cccc(COC[C@H]2CCC[NH2+]C2)c1 ZINC000028521968 171561447 /nfs/dbraw/zinc/56/14/47/171561447.db2.gz LEAKUBJYBNFOFT-LBPRGKRZSA-N 1 0 284.197 2.965 50 0 CFAARO COc1ccc(C[NH2+]C[C@@H](C)Oc2ccccn2)cc1 ZINC000035287328 172104885 /nfs/dbraw/zinc/10/48/85/172104885.db2.gz NVKFAOMIOREZHP-CYBMUJFWSA-N 1 0 272.348 2.647 50 0 CFAARO CC[NH2+]C1(c2nnnn2-c2ccc(Cl)cc2)CCCC1 ZINC000035622564 172304011 /nfs/dbraw/zinc/30/40/11/172304011.db2.gz OYROBEBIFFTQHI-UHFFFAOYSA-N 1 0 291.786 2.695 50 0 CFAARO CC(C)(C)[N@@H+]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000664174988 413618166 /nfs/dbraw/zinc/61/81/66/413618166.db2.gz NFOUVOOUSMTZRF-LBPRGKRZSA-N 1 0 270.380 2.915 50 0 CFAARO CC(C)c1nn(C)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000037219374 173036487 /nfs/dbraw/zinc/03/64/87/173036487.db2.gz MGIBIFZJYSSHCE-UHFFFAOYSA-N 1 0 287.363 2.562 50 0 CFAARO COCCc1ccc(OCC[C@H]2CCCC[NH2+]2)cc1 ZINC000037429279 173199872 /nfs/dbraw/zinc/19/98/72/173199872.db2.gz ORNKYCNFOMLIQR-OAHLLOKOSA-N 1 0 263.381 2.787 50 0 CFAARO O[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000037490698 173232107 /nfs/dbraw/zinc/23/21/07/173232107.db2.gz KBXDZHLWXBDDFT-ROUUACIJSA-N 1 0 288.435 2.544 50 0 CFAARO CC(C)NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037547420 173264316 /nfs/dbraw/zinc/26/43/16/173264316.db2.gz TWMRYWXXUNOWEG-HNNXBMFYSA-N 1 0 288.435 2.854 50 0 CFAARO CCC[NH2+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000038074614 174084618 /nfs/dbraw/zinc/08/46/18/174084618.db2.gz JYONRLVQUSQUAK-UHFFFAOYSA-N 1 0 259.353 2.796 50 0 CFAARO Brc1cccc(CCC[NH+]2CCOCC2)c1 ZINC000038537502 174145509 /nfs/dbraw/zinc/14/55/09/174145509.db2.gz BRDFMYRGMMWEOR-UHFFFAOYSA-N 1 0 284.197 2.714 50 0 CFAARO [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000038540480 174146056 /nfs/dbraw/zinc/14/60/56/174146056.db2.gz WXBOUFZFJFRVCW-SJORKVTESA-N 1 0 252.361 2.613 50 0 CFAARO Fc1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000038580881 174148723 /nfs/dbraw/zinc/14/87/23/174148723.db2.gz RICQKZNXLZRCNN-SECBINFHSA-N 1 0 288.160 2.967 50 0 CFAARO C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000039619146 174170902 /nfs/dbraw/zinc/17/09/02/174170902.db2.gz RQEVAGQWBQPHNH-UHFFFAOYSA-N 1 0 259.271 2.619 50 0 CFAARO Fc1cccc(OCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000040153606 174194974 /nfs/dbraw/zinc/19/49/74/174194974.db2.gz BLOYDQPNXRMDOQ-HOTGVXAUSA-N 1 0 279.355 2.848 50 0 CFAARO Cc1ccc(NC(=[NH2+])Nc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000040385349 174251396 /nfs/dbraw/zinc/25/13/96/174251396.db2.gz PHFYPEIWBFTBAO-UHFFFAOYSA-N 1 0 293.330 2.690 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000040460340 174269888 /nfs/dbraw/zinc/26/98/88/174269888.db2.gz OXIGSUOESNIEFY-STQMWFEESA-N 1 0 278.400 2.523 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC000040624778 174356613 /nfs/dbraw/zinc/35/66/13/174356613.db2.gz KGHVFZLXTHPKDT-CYBMUJFWSA-N 1 0 285.391 2.628 50 0 CFAARO CCOCCC[NH2+]Cc1cc(Cl)cc(OC)c1OC ZINC000040722116 174385491 /nfs/dbraw/zinc/38/54/91/174385491.db2.gz HEFDPIQNDKFWSS-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO CCCOc1c(Cl)cc(C[NH2+]CCCO)cc1OC ZINC000040743714 174390906 /nfs/dbraw/zinc/39/09/06/174390906.db2.gz HAJYEKKAXRAFGO-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)O)cc1OC ZINC000040743872 174391690 /nfs/dbraw/zinc/39/16/90/174391690.db2.gz XSVZAUGQPVCPDP-JTQLQIEISA-N 1 0 287.787 2.608 50 0 CFAARO CC[N@H+](CCO)CCNc1cccc2ccccc21 ZINC000044125689 175144351 /nfs/dbraw/zinc/14/43/51/175144351.db2.gz RIPAXUYNSROKDU-UHFFFAOYSA-N 1 0 258.365 2.566 50 0 CFAARO CC(C)Oc1ccccc1CNC[C@H]1CCC[N@H+](C)C1 ZINC000044533055 175195874 /nfs/dbraw/zinc/19/58/74/175195874.db2.gz HWMCYKFILGUHJG-OAHLLOKOSA-N 1 0 276.424 2.905 50 0 CFAARO CC[NH+]1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000045734850 175382470 /nfs/dbraw/zinc/38/24/70/175382470.db2.gz WZLZGMGUDGXXJE-UHFFFAOYSA-N 1 0 289.354 2.618 50 0 CFAARO Cn1nc(C[NH2+]C2CCCCC2)c(-c2ccccc2)n1 ZINC000045944721 175387458 /nfs/dbraw/zinc/38/74/58/175387458.db2.gz SDKPLQZCCATVPB-UHFFFAOYSA-N 1 0 270.380 2.904 50 0 CFAARO CC[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000045943472 175387541 /nfs/dbraw/zinc/38/75/41/175387541.db2.gz ACDGHJOQBDWPGP-LBPRGKRZSA-N 1 0 272.352 2.754 50 0 CFAARO CCOCc1ccccc1CNc1cc(C)[nH+]c(N)n1 ZINC000045932558 175387571 /nfs/dbraw/zinc/38/75/71/175387571.db2.gz JFOFHEJGAYLADR-UHFFFAOYSA-N 1 0 272.352 2.516 50 0 CFAARO CCCn1cc(C[NH2+]C(C)(C)CO)c2ccccc21 ZINC000045945189 175387879 /nfs/dbraw/zinc/38/78/79/175387879.db2.gz PXJYFNJWDWAGMT-UHFFFAOYSA-N 1 0 260.381 2.912 50 0 CFAARO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccccc1 ZINC000057370899 175595665 /nfs/dbraw/zinc/59/56/65/175595665.db2.gz XFXLJOOVNTUPRU-CYBMUJFWSA-N 1 0 284.359 2.985 50 0 CFAARO CCCc1nc(C)c(C(=O)N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000065550999 175750142 /nfs/dbraw/zinc/75/01/42/175750142.db2.gz ZLURLRYFKVSKAF-GFCCVEGCSA-N 1 0 295.452 2.570 50 0 CFAARO C[C@@H](CC1CCCCC1)[NH2+]CCCC(=O)N(C)C ZINC000067758840 175789990 /nfs/dbraw/zinc/78/99/90/175789990.db2.gz ADYGRVSQDKAWMX-ZDUSSCGKSA-N 1 0 254.418 2.803 50 0 CFAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc[nH]c1 ZINC000068306094 175808383 /nfs/dbraw/zinc/80/83/83/175808383.db2.gz MCGCREMNNMJKQU-UHFFFAOYSA-N 1 0 283.375 2.905 50 0 CFAARO C[C@@H](CC[NH+](C)C)NC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000068471024 175809158 /nfs/dbraw/zinc/80/91/58/175809158.db2.gz FNXWKLRBJXKFCG-LBPRGKRZSA-N 1 0 294.826 2.828 50 0 CFAARO FC(F)(F)Oc1cccc(C[NH2+]CCn2cccn2)c1 ZINC000069927212 175862562 /nfs/dbraw/zinc/86/25/62/175862562.db2.gz NWWFEHIVUYZADL-UHFFFAOYSA-N 1 0 285.269 2.572 50 0 CFAARO C[NH2+]C[C@@H]1CCN(C(=O)c2csc3ccccc23)C1 ZINC000071142709 176040583 /nfs/dbraw/zinc/04/05/83/176040583.db2.gz FXKIYBWWUGJGHA-NSHDSACASA-N 1 0 274.389 2.583 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000071376016 176141352 /nfs/dbraw/zinc/14/13/52/176141352.db2.gz ADQVPTVCHMSGJQ-GJZGRUSLSA-N 1 0 274.408 2.822 50 0 CFAARO Fc1cccc(-c2nnc([C@H]3CC34CC[NH2+]CC4)o2)c1 ZINC000071790938 176262803 /nfs/dbraw/zinc/26/28/03/176262803.db2.gz GKVBPLKCFVSHCL-GFCCVEGCSA-N 1 0 273.311 2.733 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000071828173 176272516 /nfs/dbraw/zinc/27/25/16/176272516.db2.gz SJDZVXPLNVRGOL-DOTOQJQBSA-N 1 0 285.391 2.976 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000071828175 176272639 /nfs/dbraw/zinc/27/26/39/176272639.db2.gz SJDZVXPLNVRGOL-RDJZCZTQSA-N 1 0 285.391 2.976 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000071837248 176274162 /nfs/dbraw/zinc/27/41/62/176274162.db2.gz ICMNMQPOKOYVOE-HOTGVXAUSA-N 1 0 289.354 2.867 50 0 CFAARO C[NH+](C)C(C)(C)CNC(=O)C(C)(C)c1ccccc1F ZINC000071853399 176277696 /nfs/dbraw/zinc/27/76/96/176277696.db2.gz KBRALKPWQGDLGR-UHFFFAOYSA-N 1 0 280.387 2.560 50 0 CFAARO Cc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)s1 ZINC000071870421 176282964 /nfs/dbraw/zinc/28/29/64/176282964.db2.gz JLAMTFAVYZQOQM-HUUCEWRRSA-N 1 0 292.448 2.684 50 0 CFAARO Cc1cnn(CC[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000071872129 176284387 /nfs/dbraw/zinc/28/43/87/176284387.db2.gz YUQWACLTENNRPL-HNNXBMFYSA-N 1 0 257.381 2.802 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2nc3ccccc3s2)c1 ZINC000071872157 176284483 /nfs/dbraw/zinc/28/44/83/176284483.db2.gz RIBMWVVACQUUJF-GFCCVEGCSA-N 1 0 286.404 2.980 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000071878661 176286987 /nfs/dbraw/zinc/28/69/87/176286987.db2.gz IESRYGRUBDHULQ-QGZVFWFLSA-N 1 0 284.407 2.602 50 0 CFAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCc1ccncc1 ZINC000071878779 176287249 /nfs/dbraw/zinc/28/72/49/176287249.db2.gz FYQDWDBNHBLJNW-MRXNPFEDSA-N 1 0 284.407 2.812 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000071880491 176287904 /nfs/dbraw/zinc/28/79/04/176287904.db2.gz GRVCQGMQKIEZQR-SJORKVTESA-N 1 0 290.382 2.801 50 0 CFAARO CCOCCCC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000071905244 176296286 /nfs/dbraw/zinc/29/62/86/176296286.db2.gz GZKCTGCPJHLYAC-UHFFFAOYSA-N 1 0 278.396 2.812 50 0 CFAARO CC[N@@H+](Cc1nc(C)c2ccccc2n1)C[C@H]1CCOC1 ZINC000071908294 176297063 /nfs/dbraw/zinc/29/70/63/176297063.db2.gz IRPDRYKQXAAAFW-CQSZACIVSA-N 1 0 285.391 2.797 50 0 CFAARO C[NH+](C)CC[C@@H](OC(=O)C[C@H]1CCCO1)c1ccccc1 ZINC000071922300 176301045 /nfs/dbraw/zinc/30/10/45/176301045.db2.gz QEKAGSQUOVXAEN-HZPDHXFCSA-N 1 0 291.391 2.792 50 0 CFAARO CCNC(=O)C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000072125317 176320541 /nfs/dbraw/zinc/32/05/41/176320541.db2.gz UWLKVLIUPAHXCB-INIZCTEOSA-N 1 0 274.408 2.610 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072134426 176322344 /nfs/dbraw/zinc/32/23/44/176322344.db2.gz GMAPUPSEIUKMQQ-VIFPVBQESA-N 1 0 285.750 2.824 50 0 CFAARO COc1ccccc1OC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072171678 176333217 /nfs/dbraw/zinc/33/32/17/176333217.db2.gz NPPZQOLYJDIJKQ-AWEZNQCLSA-N 1 0 291.391 2.575 50 0 CFAARO CC[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1)C(N)=O ZINC000072281397 176359159 /nfs/dbraw/zinc/35/91/59/176359159.db2.gz FKRBHNYZBUGZAH-KWQFWETISA-N 1 0 274.286 2.620 50 0 CFAARO Cc1cccc(Nc2cccc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072376487 176385069 /nfs/dbraw/zinc/38/50/69/176385069.db2.gz KDTIGASWNXCSAQ-GFCCVEGCSA-N 1 0 254.337 2.953 50 0 CFAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000072409147 176398522 /nfs/dbraw/zinc/39/85/22/176398522.db2.gz TWDQCLDUTDJFDC-UHFFFAOYSA-N 1 0 290.436 2.587 50 0 CFAARO CC(C)(O)CCc1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000072412012 176398841 /nfs/dbraw/zinc/39/88/41/176398841.db2.gz SSRVLMIVISKIII-QGZVFWFLSA-N 1 0 291.435 2.737 50 0 CFAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@H]1CCCO1 ZINC000075572426 176732032 /nfs/dbraw/zinc/73/20/32/176732032.db2.gz YOYVFBKNEVHVMR-UKRRQHHQSA-N 1 0 276.380 2.562 50 0 CFAARO CCCn1ccnc1Cn1ccnc1-c1ccoc1 ZINC000077342035 177254804 /nfs/dbraw/zinc/25/48/04/177254804.db2.gz YIZAKEKSGICHBR-UHFFFAOYSA-N 1 0 256.309 2.798 50 0 CFAARO COc1ccccc1N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000077353757 177256414 /nfs/dbraw/zinc/25/64/14/177256414.db2.gz CNLLBCRPGKMKIH-CQSZACIVSA-N 1 0 283.375 2.805 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3)C2)cc1O ZINC000078604209 177359584 /nfs/dbraw/zinc/35/95/84/177359584.db2.gz HBTUBSOZWYUFCZ-OAHLLOKOSA-N 1 0 298.386 2.769 50 0 CFAARO Clc1ccc(C[NH2+]CCn2cccn2)c2ncccc12 ZINC000078783601 177387925 /nfs/dbraw/zinc/38/79/25/177387925.db2.gz NVGCSYHXZPWSCU-UHFFFAOYSA-N 1 0 286.766 2.875 50 0 CFAARO C[C@@H]1CCC[N@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000105707694 287345548 /nfs/dbraw/zinc/34/55/48/287345548.db2.gz SFGVXXIRTPCRIM-RDBSUJKOSA-N 1 0 252.402 2.508 50 0 CFAARO Cn1ccnc1C[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000663369128 420502918 /nfs/dbraw/zinc/50/29/18/420502918.db2.gz RQMDYQPIINKGJV-QGZVFWFLSA-N 1 0 269.392 2.878 50 0 CFAARO Cc1nc([C@@H]2CCC[C@H]([NH3+])C2)n(C2Cc3ccccc3C2)n1 ZINC000827541536 782036966 /nfs/dbraw/zinc/03/69/66/782036966.db2.gz JPNZZMSMJNZLST-CVEARBPZSA-N 1 0 296.418 2.911 50 0 CFAARO CCN(C)Cc1cc2c(cc1Br)OCO2 ZINC000193786781 270239947 /nfs/dbraw/zinc/23/99/47/270239947.db2.gz LBYNKYDFFOCXNA-UHFFFAOYSA-N 1 0 272.142 2.630 50 0 CFAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000525195303 270474387 /nfs/dbraw/zinc/47/43/87/270474387.db2.gz DRTRVQAQJYKPNM-LLVKDONJSA-N 1 0 261.369 2.856 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)[C@H]1C[NH3+] ZINC000070176212 274289319 /nfs/dbraw/zinc/28/93/19/274289319.db2.gz KBKZWLNVZHANKC-RNCFNFMXSA-N 1 0 284.762 2.679 50 0 CFAARO C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)c2cc(Cl)ccc2O1 ZINC000261815067 274352460 /nfs/dbraw/zinc/35/24/60/274352460.db2.gz HXYXMWMLMBYKAG-NEPJUHHUSA-N 1 0 280.799 2.927 50 0 CFAARO O=[n+]1c(-c2cc3ccccc3o2)cn(O)c2c1CCCC2 ZINC000334157390 275042090 /nfs/dbraw/zinc/04/20/90/275042090.db2.gz HXIAHGXBOWUXAO-UHFFFAOYSA-N 1 0 283.307 2.932 50 0 CFAARO c1cc2nccc(N3CC[C@H]([NH+]4CCCC4)C3)c2s1 ZINC000095403183 275065974 /nfs/dbraw/zinc/06/59/74/275065974.db2.gz LCBCKTCGBXWTQD-LBPRGKRZSA-N 1 0 273.405 2.971 50 0 CFAARO c1ccc2c(c1)oc1c2ncnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000024659720 275071764 /nfs/dbraw/zinc/07/17/64/275071764.db2.gz GPIJLLCANAXYFB-GFCCVEGCSA-N 1 0 294.358 2.660 50 0 CFAARO c1ncn(-c2ccccc2C[NH2+]C2Cc3ccccc3C2)n1 ZINC000065417650 275077033 /nfs/dbraw/zinc/07/70/33/275077033.db2.gz KQKMNEZRIAWMHC-UHFFFAOYSA-N 1 0 290.370 2.524 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCOC2)CC1 ZINC000133830062 275519483 /nfs/dbraw/zinc/51/94/83/275519483.db2.gz OESHBXMNIXVRJJ-UONOGXRCSA-N 1 0 298.427 2.545 50 0 CFAARO CC(C)N(CC[NH+]1CCC(C)CC1)C(=O)c1cccnc1 ZINC000067654168 275936227 /nfs/dbraw/zinc/93/62/27/275936227.db2.gz HILPMVVRDMBILY-UHFFFAOYSA-N 1 0 289.423 2.664 50 0 CFAARO CCCNC(=O)CC[NH2+][C@H]1CSCCc2ccccc21 ZINC000095420687 276014796 /nfs/dbraw/zinc/01/47/96/276014796.db2.gz HWERXFVNAJWPBL-HNNXBMFYSA-N 1 0 292.448 2.523 50 0 CFAARO CC(C)c1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000000206955 276055230 /nfs/dbraw/zinc/05/52/30/276055230.db2.gz HAJBFEHBXHROOF-HNNXBMFYSA-N 1 0 263.381 2.646 50 0 CFAARO CCC(C)(C)OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000008844685 276208011 /nfs/dbraw/zinc/20/80/11/276208011.db2.gz VYRKPHWIIBNPNU-MJBXVCDLSA-N 1 0 257.418 2.530 50 0 CFAARO CCCN(CCC[NH+](C)C)C(=O)c1cc2ccccc2[nH]1 ZINC000241135479 276253165 /nfs/dbraw/zinc/25/31/65/276253165.db2.gz JPQFIXCCAZCWMO-UHFFFAOYSA-N 1 0 287.407 2.972 50 0 CFAARO CCOC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000034203628 276283812 /nfs/dbraw/zinc/28/38/12/276283812.db2.gz IYQHIBQJNDNQMQ-JKSUJKDBSA-N 1 0 288.391 2.739 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000170625327 276363574 /nfs/dbraw/zinc/36/35/74/276363574.db2.gz OYRYNFXCKLFHQG-CAOSSQGBSA-N 1 0 295.471 2.985 50 0 CFAARO CN1C(=O)C[C@@H]([NH2+]CCCF)[C@@H]1c1ccc(Cl)cc1 ZINC000192159718 277012308 /nfs/dbraw/zinc/01/23/08/277012308.db2.gz QBRWSCLSIYPEJN-OCCSQVGLSA-N 1 0 284.762 2.561 50 0 CFAARO CN1CCC([NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000097016444 277031383 /nfs/dbraw/zinc/03/13/83/277031383.db2.gz IFJLIBXFYDBRMV-CQSZACIVSA-N 1 0 262.397 2.977 50 0 CFAARO CC(C)(C)C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004029217 277131776 /nfs/dbraw/zinc/13/17/76/277131776.db2.gz JJYKYGSRKXDFDX-QWHCGFSZSA-N 1 0 253.386 2.840 50 0 biogenic,in-vitro CFAARO CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000071883380 277137545 /nfs/dbraw/zinc/13/75/45/277137545.db2.gz FSZRAIPZYLSNIH-GFCCVEGCSA-N 1 0 252.402 2.556 50 0 CFAARO CC(C)(C)OCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000084240882 277214114 /nfs/dbraw/zinc/21/41/14/277214114.db2.gz MSADSTGUCNFGDV-ZDUSSCGKSA-N 1 0 251.374 2.752 50 0 CFAARO COC(=O)N1CCC([NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000095420830 277333362 /nfs/dbraw/zinc/33/33/62/277333362.db2.gz FCMGSHMFRVFLFA-CYBMUJFWSA-N 1 0 294.420 2.946 50 0 CFAARO COC1=C2OCO[C@H]2C=C2C=C[N+](Cc3ccccc3)=C[C@H]21 ZINC000100644839 277475524 /nfs/dbraw/zinc/47/55/24/277475524.db2.gz IYTHNZGOQPSBPT-CVEARBPZSA-N 1 0 296.346 2.584 50 0 CFAARO C(CN1CCCCC1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000032538779 277715104 /nfs/dbraw/zinc/71/51/04/277715104.db2.gz IAVHTDQHPCGXFZ-UHFFFAOYSA-N 1 0 262.441 2.887 50 0 CFAARO COc1ccc(C(=O)N2c3cc(C[NH3+])ccc3C[C@H]2C)cc1 ZINC000045795971 277875913 /nfs/dbraw/zinc/87/59/13/277875913.db2.gz PSCGDBGDTVIYAQ-GFCCVEGCSA-N 1 0 296.370 2.745 50 0 CFAARO CC/C=C(\C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000046041464 278163852 /nfs/dbraw/zinc/16/38/52/278163852.db2.gz QUMCNVMVVXTKEN-VNKGSWCUSA-N 1 0 266.410 2.823 50 0 CFAARO C[C@@H](CCc1ccccc1)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026160364 278236592 /nfs/dbraw/zinc/23/65/92/278236592.db2.gz IBNQRCALBCNVQY-YOEHRIQHSA-N 1 0 282.387 2.824 50 0 CFAARO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCc2c1cccc2O ZINC000097049278 278237260 /nfs/dbraw/zinc/23/72/60/278237260.db2.gz PMONEYBJLCDRKL-SWLSCSKDSA-N 1 0 271.364 2.644 50 0 CFAARO CC(C)(C)C(=O)NCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129745981 278291030 /nfs/dbraw/zinc/29/10/30/278291030.db2.gz ZNHSGCQAQCNOHD-QWRGUYRKSA-N 1 0 294.361 2.859 50 0 CFAARO C[C@H](OCC[NH+](C)C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003900106 278301585 /nfs/dbraw/zinc/30/15/85/278301585.db2.gz WAKDMVXEUWPADN-ORVZXPRGSA-N 1 0 279.424 2.739 50 0 CFAARO C[C@@H](Nc1cnn(CC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000097037670 278390121 /nfs/dbraw/zinc/39/01/21/278390121.db2.gz PAQPGUQZTWUKGD-LLVKDONJSA-N 1 0 294.349 2.896 50 0 CFAARO Cc1ccc([C@@H]2NC(=[NH2+])N=C3Nc4ccccc4[C@@H]32)s1 ZINC000100783198 278852170 /nfs/dbraw/zinc/85/21/70/278852170.db2.gz URSVULOYNKDGKH-OLZOCXBDSA-N 1 0 282.372 2.843 50 0 CFAARO CC[NH+](CC)C[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000044115826 279120553 /nfs/dbraw/zinc/12/05/53/279120553.db2.gz VVMOYFUZPLENQF-IBHBGHMQSA-N 1 0 251.414 2.906 50 0 CFAARO C[C@H](CCn1cccn1)[NH2+][C@H]1CCc2c1cccc2O ZINC000097049281 279276036 /nfs/dbraw/zinc/27/60/36/279276036.db2.gz PMONEYBJLCDRKL-DOMZBBRYSA-N 1 0 271.364 2.644 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000055209759 279313078 /nfs/dbraw/zinc/31/30/78/279313078.db2.gz UVAUSNQMFWZRRF-BZUAXINKSA-N 1 0 290.382 2.530 50 0 CFAARO C[C@H](Cc1cccs1)[NH2+]CCC(=O)Nc1cccnc1 ZINC000065393510 279383142 /nfs/dbraw/zinc/38/31/42/279383142.db2.gz IECPPKANWSMHPB-GFCCVEGCSA-N 1 0 289.404 2.693 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1C ZINC000070176131 281189852 /nfs/dbraw/zinc/18/98/52/281189852.db2.gz HIVDYVYMGPONAZ-DOMZBBRYSA-N 1 0 260.381 2.503 50 0 CFAARO Cc1cccc(C(C)(C)C)c1OCCCC[NH2+]CCN ZINC000039960861 281197443 /nfs/dbraw/zinc/19/74/43/281197443.db2.gz KKGYEJINYZYMRK-UHFFFAOYSA-N 1 0 278.440 3.000 50 0 CFAARO Cc1cccc(C2=NC3(CC[NH+](C)CC3)NC2=S)c1 ZINC000067172588 281213752 /nfs/dbraw/zinc/21/37/52/281213752.db2.gz ACDNQMOHZFQWDL-UHFFFAOYSA-N 1 0 273.405 2.548 50 0 CFAARO Cc1ccccc1C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000106861433 281338484 /nfs/dbraw/zinc/33/84/84/281338484.db2.gz WZKBAAAIYMYBMQ-UHFFFAOYSA-N 1 0 286.419 2.797 50 0 CFAARO N=C1Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1C(N)=[NH2+] ZINC000206461776 295006451 /nfs/dbraw/zinc/00/64/51/295006451.db2.gz SCPRECBHQADPBM-ZDUSSCGKSA-N 1 0 299.765 2.585 50 0 CFAARO NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249285188 295113587 /nfs/dbraw/zinc/11/35/87/295113587.db2.gz PAZDUNOFRLQDLK-WYUUTHIRSA-N 1 0 292.345 2.741 50 0 CFAARO C[C@@H]1C[C@@H]1[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(Cl)cc1 ZINC000245281202 297310420 /nfs/dbraw/zinc/31/04/20/297310420.db2.gz AFDADXSWJVPTHS-HYNSBDGHSA-N 1 0 278.783 2.515 50 0 CFAARO C[C@H](CC(N)=O)[NH2+][C@@H](c1ccccc1)c1cccc(F)c1 ZINC000095969245 298351956 /nfs/dbraw/zinc/35/19/56/298351956.db2.gz GPABZFZZBZITLF-PXAZEXFGSA-N 1 0 286.350 2.769 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c(C)n1C1CC1 ZINC000237638825 301097406 /nfs/dbraw/zinc/09/74/06/301097406.db2.gz LUBZZSSKOSHASG-ZBEGNZNMSA-N 1 0 289.423 2.639 50 0 CFAARO Cc1ccccc1[C@@H]([NH2+]CC(=O)NC1CC1)C(C)C ZINC000096491718 302135310 /nfs/dbraw/zinc/13/53/10/302135310.db2.gz FYXQTLYZGOQQRL-INIZCTEOSA-N 1 0 260.381 2.560 50 0 CFAARO Cn1nc(C[NH2+][C@@H]2CCSC2)c2c1cccc2Cl ZINC000534590917 328317996 /nfs/dbraw/zinc/31/79/96/328317996.db2.gz LSTGBRNWXTYRPP-SECBINFHSA-N 1 0 281.812 2.822 50 0 CFAARO Cc1cnc(C)c(NC[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000534652458 328337900 /nfs/dbraw/zinc/33/79/00/328337900.db2.gz CVFFWYLGNHEGAE-CQSZACIVSA-N 1 0 274.412 2.770 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H]2CCCC[C@@H]2C)C1 ZINC000195560438 324109662 /nfs/dbraw/zinc/10/96/62/324109662.db2.gz ROOYBKJWKRKOHG-IMJJTQAJSA-N 1 0 266.429 2.613 50 0 CFAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C)o1 ZINC000195571207 324109673 /nfs/dbraw/zinc/10/96/73/324109673.db2.gz MQKHSYQWMAHBMZ-WDEREUQCSA-N 1 0 255.387 2.532 50 0 CFAARO O=C(O[C@@H]1CC[NH2+][C@H]2CCCC[C@H]12)c1ccccc1 ZINC000004015789 326809232 /nfs/dbraw/zinc/80/92/32/326809232.db2.gz MHURPUBOKOVYBH-SOUVJXGZSA-N 1 0 259.349 2.764 50 0 CFAARO CC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)C(C)C ZINC000036102225 327335634 /nfs/dbraw/zinc/33/56/34/327335634.db2.gz HUSATWGYVWHKHW-AWEZNQCLSA-N 1 0 251.370 2.677 50 0 CFAARO Cc1nc(NCCC[N@@H+]2CCC[C@H](CO)C2)ccc1Cl ZINC000828711219 782103662 /nfs/dbraw/zinc/10/36/62/782103662.db2.gz SEAOFMBZFLKTEI-ZDUSSCGKSA-N 1 0 297.830 2.550 50 0 CFAARO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307946663 521725412 /nfs/dbraw/zinc/72/54/12/521725412.db2.gz KUZSPRQCDYDUIP-LPEHRKFASA-N 1 0 271.348 2.564 50 0 CFAARO C[C@@H](c1cccc(-c2ncn(C)n2)c1)[NH+]1CCCC1 ZINC000426497202 534073717 /nfs/dbraw/zinc/07/37/17/534073717.db2.gz JELLUSFDXAKRMK-LBPRGKRZSA-N 1 0 256.353 2.639 50 0 CFAARO C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1CCOC1 ZINC000096490321 534248069 /nfs/dbraw/zinc/24/80/69/534248069.db2.gz GFICTCPNTRZPLL-CMPLNLGQSA-N 1 0 284.197 2.759 50 0 CFAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000004061546 534557849 /nfs/dbraw/zinc/55/78/49/534557849.db2.gz YUBGHPIFZHJULL-QWHCGFSZSA-N 1 0 263.337 2.701 50 0 CFAARO COC[C@@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000071267533 522423997 /nfs/dbraw/zinc/42/39/97/522423997.db2.gz GPEIHTROFPDVTC-SFYZADRCSA-N 1 0 296.169 2.790 50 0 CFAARO C[N@H+](CCc1ccncc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000215078321 522977020 /nfs/dbraw/zinc/97/70/20/522977020.db2.gz PDLDTWNHOJBFFG-UHFFFAOYSA-N 1 0 272.396 2.777 50 0 CFAARO CSCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000156268779 525723613 /nfs/dbraw/zinc/72/36/13/525723613.db2.gz LGLYACDMAQWFLE-SWLSCSKDSA-N 1 0 292.448 2.749 50 0 CFAARO Cc1c[nH+]ccc1N1CCC(OC[C@H]2CCCO2)CC1 ZINC000192672242 526235896 /nfs/dbraw/zinc/23/58/96/526235896.db2.gz MVPBOIYNDUIAPB-OAHLLOKOSA-N 1 0 276.380 2.554 50 0 CFAARO CC(C)[N@H+](C)CCCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1 ZINC000096439512 528817194 /nfs/dbraw/zinc/81/71/94/528817194.db2.gz KDGLQLXXOFLQOL-HZPDHXFCSA-N 1 0 293.455 2.714 50 0 CFAARO CCc1oc2ccccc2c1/C=C\C(=O)N1CC[C@@H]([NH3+])C1 ZINC000493618913 535924721 /nfs/dbraw/zinc/92/47/21/535924721.db2.gz CIXNZFVTIDTMET-QDZRJHCZSA-N 1 0 284.359 2.568 50 0 CFAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@H](O)c1ccncc1 ZINC000090713132 566954076 /nfs/dbraw/zinc/95/40/76/566954076.db2.gz CNRSICPTHKVGEL-YOEHRIQHSA-N 1 0 270.376 2.644 50 0 CFAARO Cn1c2ccccc2nc1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000216059973 570304918 /nfs/dbraw/zinc/30/49/18/570304918.db2.gz ZALGEIMEKSFRLD-CQSZACIVSA-N 1 0 299.418 2.789 50 0 CFAARO CCN(C(=O)CC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000952967454 614589976 /nfs/dbraw/zinc/58/99/76/614589976.db2.gz HTPXCBHKAOKAMN-UHFFFAOYSA-N 1 0 296.455 2.524 50 0 CFAARO CCOCCN(C)C(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000952963452 615248990 /nfs/dbraw/zinc/24/89/90/615248990.db2.gz INQZCLBTJAWHRA-UHFFFAOYSA-N 1 0 296.455 2.670 50 0 CFAARO CC[C@@H](C(=O)NCc1nc(C(C)(C)C)cs1)[N@H+](C)CC ZINC000952962329 615383210 /nfs/dbraw/zinc/38/32/10/615383210.db2.gz DOLGILWBTWJTHQ-NSHDSACASA-N 1 0 297.468 2.787 50 0 CFAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(F)c(OC)c1 ZINC000952966019 615497533 /nfs/dbraw/zinc/49/75/33/615497533.db2.gz GMBMLLBZADJFKY-ZDUSSCGKSA-N 1 0 277.343 2.599 50 0 CFAARO CC[C@H](C(=O)NCCC1CCCCC1)[N@H+](C)CC ZINC000952979984 615605637 /nfs/dbraw/zinc/60/56/37/615605637.db2.gz QBGYJTXWHGWVIH-CQSZACIVSA-N 1 0 254.418 2.803 50 0 CFAARO CCc1nc(C)c(CNCC2([NH+](C)C)CCCCC2)[nH]1 ZINC000952985504 615736835 /nfs/dbraw/zinc/73/68/35/615736835.db2.gz SZGYJZLPBKHAMQ-UHFFFAOYSA-N 1 0 278.444 2.635 50 0 CFAARO O=C(C1CCCCC1)N1CCN=C1c1ccccc1 ZINC000022170799 618006098 /nfs/dbraw/zinc/00/60/98/618006098.db2.gz UFNGQYZDQNNGLB-UHFFFAOYSA-N 1 0 256.349 2.856 50 0 CFAARO CC[NH+](CC)C[C@@H](C)[C@@H](C)OC(=O)c1ccc(O)cc1 ZINC000002900288 618084738 /nfs/dbraw/zinc/08/47/38/618084738.db2.gz WGGFZEPTHKRXIN-CHWSQXEVSA-N 1 0 279.380 2.915 50 0 CFAARO Cc1ccccc1O[C@@H](C)CC[C@H](C)[NH2+]CCO ZINC000002931859 618095377 /nfs/dbraw/zinc/09/53/77/618095377.db2.gz QFKMWHPIUDSPJK-KBPBESRZSA-N 1 0 251.370 2.513 50 0 CFAARO c1ccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)nc1 ZINC000023283010 618368406 /nfs/dbraw/zinc/36/84/06/618368406.db2.gz GFNOAOVZIGDEOD-SFHVURJKSA-N 1 0 293.414 2.761 50 0 CFAARO [NH3+]CCC1CC(Nc2ccc(-c3cnco3)cc2)C1 ZINC000888096816 619131676 /nfs/dbraw/zinc/13/16/76/619131676.db2.gz MYPCRURXQCCXAD-UHFFFAOYSA-N 1 0 257.337 2.881 50 0 CFAARO CC[NH+](CC)CCCn1cnc2c1c1ccccc1oc2=O ZINC000000377012 619174188 /nfs/dbraw/zinc/17/41/88/619174188.db2.gz IORZUEVBIOJPKT-UHFFFAOYSA-N 1 0 299.374 2.875 50 0 CFAARO Cc1cc(C)c(C)c2occ(CC(=O)N[C@H]3CC[C@H]3[NH3+])c21 ZINC000072166671 625619629 /nfs/dbraw/zinc/61/96/29/625619629.db2.gz WHYPLDSSMSFXNN-KGLIPLIRSA-N 1 0 286.375 2.506 50 0 CFAARO Cc1ncc(CO)c(C[NH2+][C@@H](C)C2=CCCCC2)c1O ZINC000952988655 626121426 /nfs/dbraw/zinc/12/14/26/626121426.db2.gz PKCLIJGKSHVFNQ-NSHDSACASA-N 1 0 276.380 2.566 50 0 CFAARO COc1cc(F)c([C@@H](C)[NH2+][C@H]2C[C@@H]3COC[C@@H]32)cc1OC ZINC000952992744 626122114 /nfs/dbraw/zinc/12/21/14/626122114.db2.gz ADDSHZNZHQEIAM-KLTVKPSUSA-N 1 0 295.354 2.528 50 0 CFAARO CN(c1ncccc1CNCc1ncc[nH]1)C1CCCCC1 ZINC000011820171 626190549 /nfs/dbraw/zinc/19/05/49/626190549.db2.gz PANFRPVXAOHEQL-UHFFFAOYSA-N 1 0 299.422 2.863 50 0 CFAARO CSCC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000011844464 626198699 /nfs/dbraw/zinc/19/86/99/626198699.db2.gz IFINZUWZEGHWHL-AWEZNQCLSA-N 1 0 284.469 2.510 50 0 CFAARO CC(C)(C)C[NH2+][C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000012191795 626254439 /nfs/dbraw/zinc/25/44/39/626254439.db2.gz WNZFJDAKURZHSD-CQSZACIVSA-N 1 0 278.371 2.562 50 0 CFAARO C=CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000863971588 637824092 /nfs/dbraw/zinc/82/40/92/637824092.db2.gz ZUSPURGYXRSWCF-MRXNPFEDSA-N 1 0 272.392 2.541 50 0 CFAARO Cn1cc([C@H](O)C[NH2+]C(C2CCCC2)C2CCCC2)cn1 ZINC000863984538 637832800 /nfs/dbraw/zinc/83/28/00/637832800.db2.gz WFCOCEIXWGVUMB-MRXNPFEDSA-N 1 0 291.439 2.792 50 0 CFAARO [NH3+]Cc1ccc(C(=O)Nc2cccc(-c3c[nH]cn3)c2)cc1 ZINC000952968027 650790141 /nfs/dbraw/zinc/79/01/41/650790141.db2.gz DPAKJRQDRFAIFS-UHFFFAOYSA-N 1 0 292.342 2.788 50 0 CFAARO CCSC[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000952990071 650791940 /nfs/dbraw/zinc/79/19/40/650791940.db2.gz UMMXLQQFMPVGSR-ZDUSSCGKSA-N 1 0 258.475 2.982 50 0 CFAARO Fc1ccccc1OCC[NH2+]C1CSCCSC1 ZINC000952983677 650791957 /nfs/dbraw/zinc/79/19/57/650791957.db2.gz WMJQESUJFZBGPK-UHFFFAOYSA-N 1 0 287.425 2.643 50 0 CFAARO [NH3+][C@@H](C1CCCCCC1)C1(O)CC(CF)(CF)C1 ZINC000958527903 650989222 /nfs/dbraw/zinc/98/92/22/650989222.db2.gz IMTAIOCXCAUNCN-LBPRGKRZSA-N 1 0 261.356 2.734 50 0 CFAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](C)CC1 ZINC000012701331 651128288 /nfs/dbraw/zinc/12/82/88/651128288.db2.gz NUXRZLCLPRATCY-UHFFFAOYSA-N 1 0 291.391 2.513 50 0 CFAARO C[C@@H]1CCC[N@H+](CCC(=O)N(C)Cc2cccs2)C1 ZINC000020453995 651299189 /nfs/dbraw/zinc/29/91/89/651299189.db2.gz MXSMJLHEALYMKE-CYBMUJFWSA-N 1 0 280.437 2.829 50 0 CFAARO CC(C)=CCC[C@@H](C)[NH2+]CCc1nc(C)cc(=O)[nH]1 ZINC000821090686 781877093 /nfs/dbraw/zinc/87/70/93/781877093.db2.gz AQNDGYJNWWUYAR-GFCCVEGCSA-N 1 0 263.385 2.758 50 0 CFAARO Cc1nc2c([nH]1)CCN(C(=O)NC(C)(C)CC(C)C)C2 ZINC000820988966 781877603 /nfs/dbraw/zinc/87/76/03/781877603.db2.gz ZXZQJXNDRMYYHT-UHFFFAOYSA-N 1 0 278.400 2.611 50 0 CFAARO Cc1cc(C)cc(OCCOCC[NH+]2CCCC2)c1 ZINC000023549917 775475550 /nfs/dbraw/zinc/47/55/50/775475550.db2.gz YEIXSKRVNCEGFV-UHFFFAOYSA-N 1 0 263.381 2.795 50 0 CFAARO CO[C@H](C)c1ccc(-c2cccc(N3CC[NH2+]CC3)n2)cc1 ZINC000032523842 779023620 /nfs/dbraw/zinc/02/36/20/779023620.db2.gz HCVUBHMKIUJMBQ-CQSZACIVSA-N 1 0 297.402 2.866 50 0 CFAARO CC(C)=CCC/C(C)=C/C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000032533107 779024462 /nfs/dbraw/zinc/02/44/62/779024462.db2.gz KISRLNVIROEBQR-KEQVLUGWSA-N 1 0 285.453 2.703 50 0 CFAARO CC(C)c1csc(CC[NH2+]C2CCOCC2)n1 ZINC000822275549 781895292 /nfs/dbraw/zinc/89/52/92/781895292.db2.gz WPMBRJXJHKGZRK-UHFFFAOYSA-N 1 0 254.399 2.578 50 0 CFAARO C[C@H](C[NH2+]Cc1ccc(CO)o1)c1nc2ccccc2o1 ZINC000096446423 230374731 /nfs/dbraw/zinc/37/47/31/230374731.db2.gz RLRSZNZKBHKXPT-LLVKDONJSA-N 1 0 286.331 2.806 50 0 CFAARO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c(C)n1 ZINC000096476342 230379524 /nfs/dbraw/zinc/37/95/24/230379524.db2.gz HJPZDZUFSZDIJC-BXUZGUMPSA-N 1 0 299.374 2.584 50 0 CFAARO Cc1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccn1 ZINC000096489214 230382367 /nfs/dbraw/zinc/38/23/67/230382367.db2.gz AUTIJARPOJAWSC-GOOCMWNKSA-N 1 0 288.395 2.527 50 0 CFAARO Cc1cnn(-c2cc[nH+]cc2NCc2cscn2)c1 ZINC000096493836 230383404 /nfs/dbraw/zinc/38/34/04/230383404.db2.gz WINYDOKLZPNTJH-UHFFFAOYSA-N 1 0 271.349 2.644 50 0 CFAARO Cc1ccc(C[C@H]([NH2+]Cc2ccnn2C)C2CC2)cc1 ZINC000097016523 230386153 /nfs/dbraw/zinc/38/61/53/230386153.db2.gz RYBVVSVYPHCCIH-KRWDZBQOSA-N 1 0 269.392 2.839 50 0 CFAARO Cc1nc(COC(=O)C[C@@H](C[NH3+])CC(C)C)c(C)s1 ZINC000408525635 230406391 /nfs/dbraw/zinc/40/63/91/230406391.db2.gz MHNWNNUFCBOBCO-LBPRGKRZSA-N 1 0 284.425 2.814 50 0 CFAARO CSc1nc(N)cc(-c2ccc([C@H](C)[NH+](C)C)cc2)n1 ZINC000426479807 230419727 /nfs/dbraw/zinc/41/97/27/230419727.db2.gz UHCXBVKITDBLAF-JTQLQIEISA-N 1 0 288.420 2.901 50 0 CFAARO c1ccc(N(C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1 ZINC000095918162 185030428 /nfs/dbraw/zinc/03/04/28/185030428.db2.gz GFOOQWJOXNYXEP-KRWDZBQOSA-N 1 0 268.360 2.813 50 0 CFAARO c1nc(C2CC[NH+](CCc3ccccc3)CC2)c[nH]1 ZINC000095935376 185033580 /nfs/dbraw/zinc/03/35/80/185033580.db2.gz BPJGDQYYWXUQRI-UHFFFAOYSA-N 1 0 255.365 2.832 50 0 CFAARO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccc(Cl)nc1 ZINC000095940601 185035944 /nfs/dbraw/zinc/03/59/44/185035944.db2.gz HEIKUNKRKXPBAI-SNVBAGLBSA-N 1 0 270.760 2.539 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](c1cnn(C)c1)N(C)C ZINC000095968147 185046739 /nfs/dbraw/zinc/04/67/39/185046739.db2.gz HPAFJQJXOREERU-JSGCOSHPSA-N 1 0 292.452 2.744 50 0 CFAARO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](c1cnn(C)c1)N(C)C ZINC000095968146 185046794 /nfs/dbraw/zinc/04/67/94/185046794.db2.gz HPAFJQJXOREERU-OCCSQVGLSA-N 1 0 292.452 2.744 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)[NH2+]CCCc1cnn(C)c1 ZINC000095967627 185046911 /nfs/dbraw/zinc/04/69/11/185046911.db2.gz YHXSKPRQMOTPRD-CYBMUJFWSA-N 1 0 275.371 2.713 50 0 CFAARO CNC(=O)CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000095984958 185055205 /nfs/dbraw/zinc/05/52/05/185055205.db2.gz COPWSUOCFVYPPM-OAHLLOKOSA-N 1 0 280.799 2.907 50 0 CFAARO COC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000095984966 185055711 /nfs/dbraw/zinc/05/57/11/185055711.db2.gz CYGMELKHHJQHRQ-SWLSCSKDSA-N 1 0 285.334 2.811 50 0 CFAARO CC(C)N1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1=O ZINC000095987466 185056359 /nfs/dbraw/zinc/05/63/59/185056359.db2.gz MVBDHEHWANBXLP-HZPDHXFCSA-N 1 0 272.392 2.737 50 0 CFAARO C[C@H]([NH2+]CCn1ccnc1)c1cccc(N2CCCC2)c1 ZINC000095985988 185056643 /nfs/dbraw/zinc/05/66/43/185056643.db2.gz RMCVBIIIVLIVMH-HNNXBMFYSA-N 1 0 284.407 2.834 50 0 CFAARO CSCCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000095987925 185056939 /nfs/dbraw/zinc/05/69/39/185056939.db2.gz ZDIBZCFQUBJLKF-XQQFMLRXSA-N 1 0 257.443 2.923 50 0 CFAARO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000095995905 185060215 /nfs/dbraw/zinc/06/02/15/185060215.db2.gz NTNAGVAPIIEPCV-DGCLKSJQSA-N 1 0 264.369 2.526 50 0 CFAARO Cc1cc(Cl)ccc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000290134315 197606770 /nfs/dbraw/zinc/60/67/70/197606770.db2.gz ZQVJRYNYQFUWMU-INIZCTEOSA-N 1 0 292.810 2.864 50 0 CFAARO CCC[C@@]1(CC(=O)NCCC[NH+](C)C)CCOC(C)(C)C1 ZINC000096114344 185101329 /nfs/dbraw/zinc/10/13/29/185101329.db2.gz WQHWELFQQHQAAA-KRWDZBQOSA-N 1 0 298.471 2.820 50 0 CFAARO C[C@@H]([NH3+])C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000097019060 185152633 /nfs/dbraw/zinc/15/26/33/185152633.db2.gz XPWWZMVFLNNOOU-SNVBAGLBSA-N 1 0 280.331 2.516 50 0 CFAARO CC(C)(C)c1ccc(C2(C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000097019583 185152729 /nfs/dbraw/zinc/15/27/29/185152729.db2.gz OPONZPURDUELKG-HNNXBMFYSA-N 1 0 286.419 2.575 50 0 CFAARO CCOC[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000097020507 185152870 /nfs/dbraw/zinc/15/28/70/185152870.db2.gz QICKMMJFQUVGMU-CYBMUJFWSA-N 1 0 271.788 2.562 50 0 CFAARO CC(=O)Nc1ccc(C)c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000097034031 185156779 /nfs/dbraw/zinc/15/67/79/185156779.db2.gz MRBWVQCCSNIABF-IUODEOHRSA-N 1 0 287.407 2.991 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]CCc2nc(C)no2)C12CCCCC2 ZINC000097034676 185157814 /nfs/dbraw/zinc/15/78/14/185157814.db2.gz NIMZXWDQUZSUNU-UONOGXRCSA-N 1 0 293.411 2.638 50 0 CFAARO CCO[C@H]1C[C@H]([NH2+]CCc2nc(C)no2)C12CCCCC2 ZINC000097034677 185157830 /nfs/dbraw/zinc/15/78/30/185157830.db2.gz NIMZXWDQUZSUNU-KBPBESRZSA-N 1 0 293.411 2.638 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2ccccn2)n1 ZINC000072267529 346924806 /nfs/dbraw/zinc/92/48/06/346924806.db2.gz WLKDGKOURPATAO-KRWDZBQOSA-N 1 0 284.407 2.950 50 0 CFAARO Cc1nn(-c2ccccc2)cc1CN1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000225363030 282243916 /nfs/dbraw/zinc/24/39/16/282243916.db2.gz QWODRMFPDPNWKV-KBXCAEBGSA-N 1 0 298.434 2.882 50 0 CFAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000097146499 282258996 /nfs/dbraw/zinc/25/89/96/282258996.db2.gz AMKVLDQRYOCHOU-LALPHHSUSA-N 1 0 263.429 2.994 50 0 CFAARO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(C)(C)O)c1 ZINC000075838938 282299398 /nfs/dbraw/zinc/29/93/98/282299398.db2.gz CWQNZXOFHITDDR-OAHLLOKOSA-N 1 0 262.397 2.660 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)cc1 ZINC000096441613 529937847 /nfs/dbraw/zinc/93/78/47/529937847.db2.gz FKLLEGKOBGXBKF-GJZGRUSLSA-N 1 0 292.448 2.762 50 0 CFAARO CCCC[C@H](O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000065288681 539379262 /nfs/dbraw/zinc/37/92/62/539379262.db2.gz GRCQULIKBDRVKJ-INIZCTEOSA-N 1 0 262.397 2.845 50 0 CFAARO Cc1nnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)s1 ZINC000091476092 282319672 /nfs/dbraw/zinc/31/96/72/282319672.db2.gz ZQNJEWRDGONXOJ-CQSZACIVSA-N 1 0 294.468 2.795 50 0 CFAARO CC[N@@H+]1CC[C@@H](Nc2cccc3c2OCCO3)[C@H](C)C1 ZINC000097162704 185552487 /nfs/dbraw/zinc/55/24/87/185552487.db2.gz AIJCHPNYHMWZHA-CHWSQXEVSA-N 1 0 276.380 2.600 50 0 CFAARO C[N@@H+]1CCC[C@H](C(=O)Nc2ccc3ccccc3n2)C1 ZINC000076060684 539484562 /nfs/dbraw/zinc/48/45/62/539484562.db2.gz HUKDKOACZCPEDE-ZDUSSCGKSA-N 1 0 269.348 2.515 50 0 CFAARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000085334121 179022203 /nfs/dbraw/zinc/02/22/03/179022203.db2.gz VQIJJKBMLXCPQA-ROUUACIJSA-N 1 0 278.355 2.916 50 0 CFAARO Cc1[nH+]c(N)nc(N)c1OCc1ccc(Cl)cc1Cl ZINC000085388629 179047295 /nfs/dbraw/zinc/04/72/95/179047295.db2.gz LFHPYWSTCBMLMI-UHFFFAOYSA-N 1 0 299.161 2.835 50 0 CFAARO NCC[NH2+]CCCCSc1ccc(Cl)cc1 ZINC000039960853 346344939 /nfs/dbraw/zinc/34/49/39/346344939.db2.gz DUXOVGNWVWUSEU-UHFFFAOYSA-N 1 0 258.818 2.761 50 0 CFAARO CCOc1ccnc(NCC2([NH+](C)C)CCCCC2)n1 ZINC000823399322 781926546 /nfs/dbraw/zinc/92/65/46/781926546.db2.gz XELXDOFDNFNJOA-UHFFFAOYSA-N 1 0 278.400 2.552 50 0 CFAARO c1cnn(CC[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000064139763 346716217 /nfs/dbraw/zinc/71/62/17/346716217.db2.gz XIQOPFYDGWMCHU-UHFFFAOYSA-N 1 0 285.391 2.564 50 0 CFAARO c1sc2ccccc2c1C[NH2+]CCNc1ncccn1 ZINC000067255679 346796465 /nfs/dbraw/zinc/79/64/65/346796465.db2.gz OAIZNUBEQXKESS-UHFFFAOYSA-N 1 0 284.388 2.893 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000076056258 347116023 /nfs/dbraw/zinc/11/60/23/347116023.db2.gz QSVIODOJYUXPLV-YCPHGPKFSA-N 1 0 274.408 2.984 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(CC)cc2)[C@@H](C)C1 ZINC000078897657 347278750 /nfs/dbraw/zinc/27/87/50/347278750.db2.gz WEJLMXGLJYXNON-YOEHRIQHSA-N 1 0 288.435 2.986 50 0 CFAARO c1cc(CNc2ccc(CC[NH+]3CCOCC3)cc2)co1 ZINC000078975396 347282708 /nfs/dbraw/zinc/28/27/08/347282708.db2.gz NUZYHOOPGSYZCE-UHFFFAOYSA-N 1 0 286.375 2.766 50 0 CFAARO COCCCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000080066743 347342374 /nfs/dbraw/zinc/34/23/74/347342374.db2.gz INQDSFRQHLQIQM-UHFFFAOYSA-N 1 0 258.365 2.930 50 0 CFAARO C[C@@H]([NH2+]CCSc1ccccc1)[C@@H]1CCOC1 ZINC000128560572 187377374 /nfs/dbraw/zinc/37/73/74/187377374.db2.gz ZVXRJTBOIOVCGY-CHWSQXEVSA-N 1 0 251.395 2.793 50 0 CFAARO COc1ccc([C@@H]([NH2+]CC[C@@H](C)O)C(C)C)cc1 ZINC000091339923 347582834 /nfs/dbraw/zinc/58/28/34/347582834.db2.gz CLSOHIGRMBHUQT-DOMZBBRYSA-N 1 0 251.370 2.753 50 0 CFAARO O=C1c2ccccc2OC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000096027099 347700302 /nfs/dbraw/zinc/70/03/02/347700302.db2.gz UCOXBLFDCQXGFN-AWEZNQCLSA-N 1 0 267.328 2.668 50 0 CFAARO CCOC(=O)C1([NH+]2CCCCC2)CCC(C)CC1 ZINC000096026487 347700729 /nfs/dbraw/zinc/70/07/29/347700729.db2.gz PYLZMFXXOOUJHJ-UHFFFAOYSA-N 1 0 253.386 2.984 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(-n2ccnn2)cc1 ZINC000097370939 347708420 /nfs/dbraw/zinc/70/84/20/347708420.db2.gz ISFSMCCWUUFHNZ-JSGCOSHPSA-N 1 0 288.420 2.814 50 0 CFAARO O[C@@H](C[NH2+]C1CC(c2ccc(F)cc2)C1)c1ccco1 ZINC000097371356 347708617 /nfs/dbraw/zinc/70/86/17/347708617.db2.gz WBJSQRCFEDUTMT-ZALBZXLWSA-N 1 0 275.323 2.988 50 0 CFAARO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC000110632163 347749506 /nfs/dbraw/zinc/74/95/06/347749506.db2.gz JAQHZORBDHAHRD-CHWSQXEVSA-N 1 0 280.437 2.652 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124626325 347824670 /nfs/dbraw/zinc/82/46/70/347824670.db2.gz HECOFLBZNUJJST-WDEREUQCSA-N 1 0 290.333 2.817 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000124626708 347825125 /nfs/dbraw/zinc/82/51/25/347825125.db2.gz HECOFLBZNUJJST-GHMZBOCLSA-N 1 0 290.333 2.817 50 0 CFAARO C[NH+](C)CCOc1ccc(Br)cc1F ZINC000117233790 347791966 /nfs/dbraw/zinc/79/19/66/347791966.db2.gz ONTAKSUFPNBMBN-UHFFFAOYSA-N 1 0 262.122 2.529 50 0 CFAARO COC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2C)CC1 ZINC000129158604 347858768 /nfs/dbraw/zinc/85/87/68/347858768.db2.gz YEQAJUUWSJSWLD-UHFFFAOYSA-N 1 0 296.798 2.969 50 0 CFAARO O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000130122863 347868301 /nfs/dbraw/zinc/86/83/01/347868301.db2.gz LIMIVJNSWCALJD-JTQLQIEISA-N 1 0 285.347 2.643 50 0 CFAARO C[C@@H]1CC(C)(C)C[C@]([NH3+])(CNC(=O)NC(C)(C)C)C1 ZINC000725255205 539588036 /nfs/dbraw/zinc/58/80/36/539588036.db2.gz WIEPZUUBMGAKNS-ABAIWWIYSA-N 1 0 269.433 2.628 50 0 CFAARO Cc1c(C)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000135917748 347908801 /nfs/dbraw/zinc/90/88/01/347908801.db2.gz RIOPFDOHGRRBSW-UHFFFAOYSA-N 1 0 260.100 2.717 50 0 CFAARO [NH3+]Cc1c[nH]c(=S)n1[C@H]1CCc2ccccc2C1 ZINC000139444811 347920830 /nfs/dbraw/zinc/92/08/30/347920830.db2.gz IKFKCGAPMPIMQX-LBPRGKRZSA-N 1 0 259.378 2.734 50 0 CFAARO C[C@@H](O)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000170088004 348053364 /nfs/dbraw/zinc/05/33/64/348053364.db2.gz SACXFDXVDRUABA-ZBFHGGJFSA-N 1 0 281.440 2.961 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@H]1COc2ccccc21 ZINC000170089105 348053375 /nfs/dbraw/zinc/05/33/75/348053375.db2.gz HRTUBQLUPPGWLW-KCQAQPDRSA-N 1 0 259.349 2.833 50 0 CFAARO C[C@H](O)C1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000170088002 348053396 /nfs/dbraw/zinc/05/33/96/348053396.db2.gz SACXFDXVDRUABA-HOCLYGCPSA-N 1 0 281.440 2.961 50 0 CFAARO CC(C)[NH+]1CCC(Nc2ccccc2Cn2cncn2)CC1 ZINC000170593825 348055204 /nfs/dbraw/zinc/05/52/04/348055204.db2.gz XEFDWWMGFPBCQA-UHFFFAOYSA-N 1 0 299.422 2.611 50 0 CFAARO Cc1cccc(OC2CC[NH+]([C@@H]3CCOC[C@@H]3C)CC2)n1 ZINC000170619062 348057557 /nfs/dbraw/zinc/05/75/57/348057557.db2.gz BYANPKNDSXQLAG-XJKSGUPXSA-N 1 0 290.407 2.658 50 0 CFAARO O=C(NCCC[NH+]1Cc2ccccc2C1)[C@H]1CC=CCC1 ZINC000170640306 348058165 /nfs/dbraw/zinc/05/81/65/348058165.db2.gz SGEKYVKNMDWJOU-HNNXBMFYSA-N 1 0 284.403 2.865 50 0 CFAARO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000170669121 348058177 /nfs/dbraw/zinc/05/81/77/348058177.db2.gz VKBMUELRTGUGJH-IRXDYDNUSA-N 1 0 282.472 2.903 50 0 CFAARO Cc1ccc2cc(C[N@@H+]3CC[C@@](C)(CO)C3)ccc2n1 ZINC000225481591 348177439 /nfs/dbraw/zinc/17/74/39/348177439.db2.gz BSQXNAIDVGVICJ-QGZVFWFLSA-N 1 0 270.376 2.748 50 0 CFAARO O=S1(=O)CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCCCC1 ZINC000195558163 348146149 /nfs/dbraw/zinc/14/61/49/348146149.db2.gz YNSGEZXMQLBJOT-CABCVRRESA-N 1 0 285.453 2.512 50 0 CFAARO CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000195550769 348146187 /nfs/dbraw/zinc/14/61/87/348146187.db2.gz RTCUBHUNWOHCCM-VXGBXAGGSA-N 1 0 281.469 2.919 50 0 CFAARO C[C@@H](CCCO)[NH2+][C@@H]1CCCN(C2CCCCC2)C1 ZINC000195553550 348146288 /nfs/dbraw/zinc/14/62/88/348146288.db2.gz KJHPXEWVWLUHRC-LSDHHAIUSA-N 1 0 268.445 2.534 50 0 CFAARO COC1(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)CCOCC1 ZINC000195560785 348146847 /nfs/dbraw/zinc/14/68/47/348146847.db2.gz TVMKBKBNVNWSCN-HZSPNIEDSA-N 1 0 255.402 2.596 50 0 CFAARO COC(CN(C)C1CC[NH+](C2CCC(C)CC2)CC1)OC ZINC000195572044 348147346 /nfs/dbraw/zinc/14/73/46/348147346.db2.gz BVWRVFOYZNNPCS-UHFFFAOYSA-N 1 0 298.471 2.580 50 0 CFAARO [NH3+][C@H](CC(=O)N1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000225575098 348178647 /nfs/dbraw/zinc/17/86/47/348178647.db2.gz KVNPBOJRHIVWSH-IAGOWNOFSA-N 1 0 286.419 2.738 50 0 CFAARO O=C1OCC[C@@H]1CC[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000253370347 348300897 /nfs/dbraw/zinc/30/08/97/348300897.db2.gz PQRXQGCHNNGNSM-HBNTYKKESA-N 1 0 279.302 2.650 50 0 CFAARO COc1ccc(C[NH2+]CC(C)(C)CO)c2ccccc12 ZINC000128912911 187398675 /nfs/dbraw/zinc/39/86/75/187398675.db2.gz RAGTWNJIVBISJR-UHFFFAOYSA-N 1 0 273.376 2.957 50 0 CFAARO Cc1c[nH+]c(C)n1[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000409421118 348600637 /nfs/dbraw/zinc/60/06/37/348600637.db2.gz LDRGXCLHICEEPV-ZDUSSCGKSA-N 1 0 273.336 2.570 50 0 CFAARO O=C(NCc1ccccc1)C1(F)CC[NH+](C2CCC2)CC1 ZINC000409421526 348600696 /nfs/dbraw/zinc/60/06/96/348600696.db2.gz PXFOPIZNXXQWIF-UHFFFAOYSA-N 1 0 290.382 2.659 50 0 CFAARO CC(=O)N1CCC(Cn2c(C)c[nH+]c2C2CCC2)CC1 ZINC000409421026 348600744 /nfs/dbraw/zinc/60/07/44/348600744.db2.gz ZEFJZEWYLBXMJO-UHFFFAOYSA-N 1 0 275.396 2.718 50 0 CFAARO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[NH2+]C1 ZINC000584879972 348725091 /nfs/dbraw/zinc/72/50/91/348725091.db2.gz RJIHHCAFVXGKLC-AWEZNQCLSA-N 1 0 256.390 2.537 50 0 CFAARO C[N@@H+]1CCCC[C@@H]1Cn1cnc2cccc(Cl)c2c1=O ZINC000584884926 348726676 /nfs/dbraw/zinc/72/66/76/348726676.db2.gz GKFAOPVPNKTWCH-LLVKDONJSA-N 1 0 291.782 2.534 50 0 CFAARO COc1ccc(CC[C@@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000584886126 348727266 /nfs/dbraw/zinc/72/72/66/348727266.db2.gz SMEHXXMKHSRZKF-LLVKDONJSA-N 1 0 291.420 2.675 50 0 CFAARO OC1(CC[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CCCC1 ZINC000584885843 348727622 /nfs/dbraw/zinc/72/76/22/348727622.db2.gz NCZPULIWGZNJHE-HNNXBMFYSA-N 1 0 292.398 2.689 50 0 CFAARO Cc1cc(O)ccc1C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000584888489 348728266 /nfs/dbraw/zinc/72/82/66/348728266.db2.gz SGLPECJTBBLUTE-UHFFFAOYSA-N 1 0 290.407 2.647 50 0 CFAARO COc1ccc2[nH]c(CC[NH2+][C@H]3CCCSC3)nc2c1 ZINC000584892303 348728850 /nfs/dbraw/zinc/72/88/50/348728850.db2.gz KODNMFUIIFBOAW-NSHDSACASA-N 1 0 291.420 2.599 50 0 CFAARO CN(C[C@@H]1CCCC[N@@H+]1C)c1nc(-c2ccccc2)no1 ZINC000584896434 348731400 /nfs/dbraw/zinc/73/14/00/348731400.db2.gz LYWHCFWMOYHTIR-AWEZNQCLSA-N 1 0 286.379 2.657 50 0 CFAARO Cc1nn(CC[NH2+][C@H]2CCN(c3ccccc3)C2)c(C)c1C ZINC000584900418 348731886 /nfs/dbraw/zinc/73/18/86/348731886.db2.gz BUIMMGXEYMDXOY-KRWDZBQOSA-N 1 0 298.434 2.677 50 0 CFAARO Cc1cccc(C[C@@H](C)[NH2+]C2CSCCSC2)n1 ZINC000584899488 348731944 /nfs/dbraw/zinc/73/19/44/348731944.db2.gz PADDPJQFUAXROW-GFCCVEGCSA-N 1 0 282.478 2.759 50 0 CFAARO CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000585134876 348735491 /nfs/dbraw/zinc/73/54/91/348735491.db2.gz NQIGMLJVFFLZCX-DAXOMENPSA-N 1 0 277.412 2.568 50 0 CFAARO COc1cccc(C)c1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000585140353 348736725 /nfs/dbraw/zinc/73/67/25/348736725.db2.gz CPKLXLUPVDUKCP-KGLIPLIRSA-N 1 0 262.397 2.576 50 0 CFAARO Cc1csc(CN(C)C[C@H]2COc3ccccc3O2)n1 ZINC000172451369 539693274 /nfs/dbraw/zinc/69/32/74/539693274.db2.gz GNIMIGUYKXZLAE-LBPRGKRZSA-N 1 0 290.388 2.723 50 0 CFAARO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccn(C)n1 ZINC000414059653 233156217 /nfs/dbraw/zinc/15/62/17/233156217.db2.gz WWEJDVMKUUWDTK-ZFWWWQNUSA-N 1 0 288.395 2.501 50 0 CFAARO Cn1cc(C[NH2+]C(C2CC2)C2CC2)c(C(F)(F)F)n1 ZINC000090666725 180020292 /nfs/dbraw/zinc/02/02/92/180020292.db2.gz XGBCUJMQFFLPGK-UHFFFAOYSA-N 1 0 273.302 2.717 50 0 CFAARO Cc1c(C[NH2+][C@H](C)c2cc(F)cc(F)c2)cnn1C ZINC000090888153 180053868 /nfs/dbraw/zinc/05/38/68/180053868.db2.gz MEGDQAMKHLYLGJ-SECBINFHSA-N 1 0 265.307 2.858 50 0 CFAARO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000091378163 180143998 /nfs/dbraw/zinc/14/39/98/180143998.db2.gz GPORYBCAQMYEFS-JKSUJKDBSA-N 1 0 287.407 2.531 50 0 CFAARO O=C(c1ccsc1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000091390896 180144964 /nfs/dbraw/zinc/14/49/64/180144964.db2.gz SYBALMUYSVXRGT-UKRRQHHQSA-N 1 0 290.432 2.695 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)c(F)c1 ZINC000091416518 180149594 /nfs/dbraw/zinc/14/95/94/180149594.db2.gz VDQSIZSJDQAVDX-INIZCTEOSA-N 1 0 281.371 2.817 50 0 CFAARO COC[C@]1(O)CC[N@H+](Cc2ccc(C)s2)CC1(C)C ZINC000091425297 180152211 /nfs/dbraw/zinc/15/22/11/180152211.db2.gz DJSHXXXLYLOTBA-OAHLLOKOSA-N 1 0 283.437 2.666 50 0 CFAARO CCc1ccccc1C[N@@H+]1CCC[C@](CO)(CCOC)C1 ZINC000091504498 180175972 /nfs/dbraw/zinc/17/59/72/180175972.db2.gz CWWJRFCKPQEBIG-SFHVURJKSA-N 1 0 291.435 2.860 50 0 CFAARO C/C=C(\C)C[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091624730 180209769 /nfs/dbraw/zinc/20/97/69/180209769.db2.gz BEBVZNUMFBUTTC-SMRRIUIHSA-N 1 0 299.418 2.584 50 0 CFAARO CCCN1CCC[C@]2(CCN(c3cc[nH+]c(C)c3)C2)C1=O ZINC000091713739 180231568 /nfs/dbraw/zinc/23/15/68/180231568.db2.gz 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C[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)Cc2ccccn2)[C@@H]1C ZINC000221772174 539988606 /nfs/dbraw/zinc/98/86/06/539988606.db2.gz VGULFCFEMANQHA-AIANPOQGSA-N 1 0 276.424 2.647 50 0 CFAARO Cc1cc(CCCC(=O)N2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000158609968 188385752 /nfs/dbraw/zinc/38/57/52/188385752.db2.gz GUQAVZOLTPYBLQ-AWEZNQCLSA-N 1 0 280.437 2.637 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000685939677 540020690 /nfs/dbraw/zinc/02/06/90/540020690.db2.gz IBGIZIKJCKURKZ-UPJWGTAASA-N 1 0 262.401 2.844 50 0 CFAARO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)[C@H]2CCO[C@@H]21 ZINC000685939666 540020897 /nfs/dbraw/zinc/02/08/97/540020897.db2.gz FEVWOZLZEQKKFU-XQHKEYJVSA-N 1 0 267.413 2.736 50 0 CFAARO CC[N@@H+]1CC[C@H](Nc2ccc3n[nH]cc3c2)[C@@H](C)C1 ZINC000685939761 540020939 /nfs/dbraw/zinc/02/09/39/540020939.db2.gz PDVOUWPOYAPCIJ-FZMZJTMJSA-N 1 0 258.369 2.705 50 0 CFAARO CCc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1 ZINC000083823665 540184435 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ZINC000092846730 540412218 /nfs/dbraw/zinc/41/22/18/540412218.db2.gz OCTSAYSBJBBMOO-WCQYABFASA-N 1 0 267.442 2.839 50 0 CFAARO C[C@@H]([NH2+]Cc1nsc2ccccc12)[C@H]1CCOC1 ZINC000585094367 540462105 /nfs/dbraw/zinc/46/21/05/540462105.db2.gz QDZWEEJTEURLJJ-MNOVXSKESA-N 1 0 262.378 2.811 50 0 CFAARO CN1C[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)CCC1=O ZINC000084061462 540681212 /nfs/dbraw/zinc/68/12/12/540681212.db2.gz OMUNTCQHQWMMHX-GOEBONIOSA-N 1 0 272.392 2.665 50 0 CFAARO CC1(C)[C@H]([NH2+][C@H]2CC(C)(C)OC2(C)C)[C@@H]2CCO[C@@H]21 ZINC000095423072 540724416 /nfs/dbraw/zinc/72/44/16/540724416.db2.gz FEVWOZLZEQKKFU-RVMXOQNASA-N 1 0 267.413 2.736 50 0 CFAARO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCOCC1)CCO2 ZINC000095402997 540724792 /nfs/dbraw/zinc/72/47/92/540724792.db2.gz IYFDFWJKZOJDEZ-OAHLLOKOSA-N 1 0 261.365 2.896 50 0 CFAARO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]C1CCS(=O)CC1 ZINC000095940821 540726379 /nfs/dbraw/zinc/72/63/79/540726379.db2.gz DUXNJYITNHMHFN-BBYOUEMTSA-N 1 0 257.443 2.702 50 0 CFAARO OC[C@@H]1CCC[N@@H+]1CC1=Cc2cc(Cl)ccc2OC1 ZINC000092455634 540722860 /nfs/dbraw/zinc/72/28/60/540722860.db2.gz BLRITIVJTINOEY-AWEZNQCLSA-N 1 0 279.767 2.573 50 0 CFAARO CC1CCC(C[NH+]2CCC(c3nnc[nH]3)CC2)CC1 ZINC000093646481 540723428 /nfs/dbraw/zinc/72/34/28/540723428.db2.gz ZOPWUTBEXHYTFM-UHFFFAOYSA-N 1 0 262.401 2.810 50 0 CFAARO Cc1cc(C)cc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 ZINC000093989992 540723440 /nfs/dbraw/zinc/72/34/40/540723440.db2.gz IQPGWOILAMMGQZ-CABCVRRESA-N 1 0 260.381 2.516 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000191348544 283566094 /nfs/dbraw/zinc/56/60/94/283566094.db2.gz DBVAZDKIRNJDIV-SSDOTTSWSA-N 1 0 291.153 2.696 50 0 CFAARO Cc1cccc(C)c1OCC[N@@H+](C)C[C@H]1CCOC1 ZINC000178363871 189110652 /nfs/dbraw/zinc/11/06/52/189110652.db2.gz LLZXZZHUVYZZGJ-OAHLLOKOSA-N 1 0 263.381 2.651 50 0 CFAARO Cc1cccc(C)c1OCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000178363851 189110761 /nfs/dbraw/zinc/11/07/61/189110761.db2.gz LLZXZZHUVYZZGJ-HNNXBMFYSA-N 1 0 263.381 2.651 50 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272.396 2.589 50 0 CFAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1CCCCCC1 ZINC000670456998 541002003 /nfs/dbraw/zinc/00/20/03/541002003.db2.gz JWWWZHDWJGBHKH-ZIAGYGMSSA-N 1 0 252.402 2.556 50 0 CFAARO Cn1nc(C[N@H+](C)C[C@@H]2CCOC2)c2c1cccc2Cl ZINC000670458257 541002007 /nfs/dbraw/zinc/00/20/07/541002007.db2.gz WNYQZLDHWIJVJY-NSHDSACASA-N 1 0 293.798 2.695 50 0 CFAARO Cc1ncsc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000670458227 541002138 /nfs/dbraw/zinc/00/21/38/541002138.db2.gz GRFOIXAATROPMD-LBPRGKRZSA-N 1 0 274.393 2.621 50 0 CFAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](CCCCc1ccccc1)C2 ZINC000670464167 541005498 /nfs/dbraw/zinc/00/54/98/541005498.db2.gz XQXYBPWSBGMXEU-SJORKVTESA-N 1 0 286.419 2.610 50 0 CFAARO CCn1ccc2cc(C[N@@H+]3CC[C@H](CC(=O)NC)C3)ccc21 ZINC000670468412 541007069 /nfs/dbraw/zinc/00/70/69/541007069.db2.gz HQLHOAFUEXZMCP-OAHLLOKOSA-N 1 0 299.418 2.619 50 0 CFAARO C[C@H](C[NH+]1CCCC1)c1ncnn1C1Cc2ccccc2C1 ZINC000670469126 541007747 /nfs/dbraw/zinc/00/77/47/541007747.db2.gz PCKGFFVKAQHICQ-CQSZACIVSA-N 1 0 296.418 2.817 50 0 CFAARO COc1ccc2c(c1)C[C@@H]([NH2+]CCn1cnc(C)c1C)CC2 ZINC000670471956 541010497 /nfs/dbraw/zinc/01/04/97/541010497.db2.gz VMFOGIRNDKWHIB-KRWDZBQOSA-N 1 0 299.418 2.656 50 0 CFAARO CC(C)c1noc(C2CC[NH+](CC[C@H]3CCOC3)CC2)n1 ZINC000670472358 541011035 /nfs/dbraw/zinc/01/10/35/541011035.db2.gz MYRKBRPBDZWZLF-ZDUSSCGKSA-N 1 0 293.411 2.799 50 0 CFAARO CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000182074140 189313538 /nfs/dbraw/zinc/31/35/38/189313538.db2.gz YPAHDPQOXBJPJQ-SJCJKPOMSA-N 1 0 289.375 2.797 50 0 CFAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cccc(F)c1F ZINC000183584550 189362965 /nfs/dbraw/zinc/36/29/65/189362965.db2.gz CQQYXRJLIGSKRW-OUAUKWLOSA-N 1 0 253.292 2.552 50 0 CFAARO c1ncn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)n1 ZINC000667775780 541309943 /nfs/dbraw/zinc/30/99/43/541309943.db2.gz XDARUOOZXUQMSF-IXDOHACOSA-N 1 0 282.391 2.605 50 0 CFAARO CCn1cc(CN(C)Cc2cc(C[NH+](C)C)cs2)cn1 ZINC000215358670 189692632 /nfs/dbraw/zinc/69/26/32/189692632.db2.gz ZURCRHBNWZKLTE-UHFFFAOYSA-N 1 0 292.452 2.658 50 0 CFAARO CS[C@H](C)CC[N@H+](C)CCc1c(C)n[nH]c1C ZINC000216213551 189701764 /nfs/dbraw/zinc/70/17/64/189701764.db2.gz HDADJGMQBMKRAW-SNVBAGLBSA-N 1 0 255.431 2.642 50 0 CFAARO O=C(c1c2ccccn2c2cccc[n+]12)c1ccccc1 ZINC000000387332 296164110 /nfs/dbraw/zinc/16/41/10/296164110.db2.gz BOSMDBAPWZDMAM-UHFFFAOYSA-N 1 0 273.315 2.909 50 0 CFAARO C[NH+](C)CCCN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000000196387 371556200 /nfs/dbraw/zinc/55/62/00/371556200.db2.gz UHOAIESFARWLTF-AWEZNQCLSA-N 1 0 298.839 2.866 50 0 CFAARO C[C@@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000000000030 371507717 /nfs/dbraw/zinc/50/77/17/371507717.db2.gz NARHAGIVSFTMIG-HNNXBMFYSA-N 1 0 296.414 2.798 50 0 in-man CFAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000000087347 371527181 /nfs/dbraw/zinc/52/71/81/371527181.db2.gz TZTMHVURFIFRJS-UHFFFAOYSA-N 1 0 284.359 2.674 50 0 CFAARO Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2[nH+]1 ZINC000000183367 371551355 /nfs/dbraw/zinc/55/13/55/371551355.db2.gz RLFAPDISZTWNHC-UHFFFAOYSA-N 1 0 271.364 2.579 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000000447898 371616264 /nfs/dbraw/zinc/61/62/64/371616264.db2.gz OJCGXJFLBNZNNN-GFCCVEGCSA-N 1 0 280.799 2.896 50 0 CFAARO CCC[NH+]1CCC(N(C)C[C@@H](O)c2ccccc2)CC1 ZINC000000214842 371560749 /nfs/dbraw/zinc/56/07/49/371560749.db2.gz XCWDJFZIQMPNKJ-QGZVFWFLSA-N 1 0 276.424 2.526 50 0 CFAARO OC1CCC([NH2+]C2CCN(Cc3ccccc3)CC2)CC1 ZINC000000221168 371561501 /nfs/dbraw/zinc/56/15/01/371561501.db2.gz BPTCDAQZXJCZAV-UHFFFAOYSA-N 1 0 288.435 2.544 50 0 CFAARO CCOC(=O)C1CC[NH+](Cc2sccc2C)CC1 ZINC000000240242 371565845 /nfs/dbraw/zinc/56/58/45/371565845.db2.gz VXGKKMWPYWBZED-UHFFFAOYSA-N 1 0 267.394 2.832 50 0 CFAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000000239981 371566009 /nfs/dbraw/zinc/56/60/09/371566009.db2.gz ZJMWYJHDDYIQBF-CYBMUJFWSA-N 1 0 265.328 2.601 50 0 CFAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(F)cc1 ZINC000000249848 371569752 /nfs/dbraw/zinc/56/97/52/371569752.db2.gz UYXWPHIFLIFNDH-ZDUSSCGKSA-N 1 0 295.354 2.622 50 0 CFAARO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000000292707 371579381 /nfs/dbraw/zinc/57/93/81/371579381.db2.gz QEYYWHAWYAVLKO-HUUCEWRRSA-N 1 0 251.345 2.915 50 0 CFAARO COc1cc(C[NH2+][C@H]2CCCC[C@H]2OC)cc(OC)c1 ZINC000000293443 371579551 /nfs/dbraw/zinc/57/95/51/371579551.db2.gz LXSLVRZUGUBCSX-JKSUJKDBSA-N 1 0 279.380 2.751 50 0 CFAARO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2OC)cc1 ZINC000000292699 371579931 /nfs/dbraw/zinc/57/99/31/371579931.db2.gz KGOUXTPCLRWHSH-HZPDHXFCSA-N 1 0 263.381 2.785 50 0 CFAARO Cc1ccc([C@H](O)CN2c3ccccc3N3CC[NH+]=C23)cc1 ZINC000000377293 371600344 /nfs/dbraw/zinc/60/03/44/371600344.db2.gz FFNSTTWKONVLRN-QGZVFWFLSA-N 1 0 293.370 2.725 50 0 CFAARO CCc1c(C)cc(C)cc1OC[C@@H](O)C[NH2+]C(C)C ZINC000000395798 371604089 /nfs/dbraw/zinc/60/40/89/371604089.db2.gz ZWQZRKMDLSIKGL-AWEZNQCLSA-N 1 0 265.397 2.604 50 0 CFAARO Cc1cc(N2CCCCC2)nc(N2CCCCC2)[nH+]1 ZINC000000470274 371625018 /nfs/dbraw/zinc/62/50/18/371625018.db2.gz AZLJOZRXGSUVFN-UHFFFAOYSA-N 1 0 260.385 2.766 50 0 CFAARO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000000758723 371648922 /nfs/dbraw/zinc/64/89/22/371648922.db2.gz BITBGINDMVZMSC-LSDHHAIUSA-N 1 0 251.345 2.915 50 0 CFAARO COc1ccc(OC)c(C[NH2+]Cc2ccccc2)c1 ZINC000000784583 371648950 /nfs/dbraw/zinc/64/89/50/371648950.db2.gz ANAWJFQLYUXDAP-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO COc1cccc([C@@]2(O)CCCC[C@H]2C[NH+](C)C)c1 ZINC000002015652 371711829 /nfs/dbraw/zinc/71/18/29/371711829.db2.gz TVYLLZQTGLZFBW-HOCLYGCPSA-N 1 0 263.381 2.635 50 0 in-man CFAARO O=C(OCc1ccccc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000002580990 371739582 /nfs/dbraw/zinc/73/95/82/371739582.db2.gz JXLXDVBJLMHKSG-INIZCTEOSA-N 1 0 288.391 2.883 50 0 CFAARO CC[NH+](CC)CCOC(=O)c1cccc(Cl)c1 ZINC000002346047 371724421 /nfs/dbraw/zinc/72/44/21/371724421.db2.gz BWTWXNBEZDZJCL-UHFFFAOYSA-N 1 0 255.745 2.839 50 0 CFAARO COc1ccc(CC[C@H](C)[NH2+]CCCn2ccnc2)cc1 ZINC000002498830 371729505 /nfs/dbraw/zinc/72/95/05/371729505.db2.gz BCQSQXXORVVSKU-HNNXBMFYSA-N 1 0 287.407 2.893 50 0 CFAARO Brc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000002527208 371733514 /nfs/dbraw/zinc/73/35/14/371733514.db2.gz KELAIWLMVFYRJD-UHFFFAOYSA-N 1 0 256.143 2.580 50 0 in-vitro CFAARO CCc1cccc(OC[C@H](O)C[NH2+]CCc2ccccc2)c1 ZINC000002651424 371744640 /nfs/dbraw/zinc/74/46/40/371744640.db2.gz VGGNTDYZDHTDTG-GOSISDBHSA-N 1 0 299.414 2.821 50 0 CFAARO CC[C@@H](C)[NH2+]CCOCCOc1ccc(F)cc1 ZINC000002822114 371756467 /nfs/dbraw/zinc/75/64/67/371756467.db2.gz LGBCNCYVGZSQSZ-GFCCVEGCSA-N 1 0 255.333 2.609 50 0 CFAARO COc1cc(C=O)ccc1OCCC[NH+]1CCCCC1 ZINC000002845792 371758505 /nfs/dbraw/zinc/75/85/05/371758505.db2.gz QVGJBXOVCZIUFL-UHFFFAOYSA-N 1 0 277.364 2.763 50 0 CFAARO C[C@H](O)C[NH2+]CCOc1cccc(Oc2ccccc2)c1 ZINC000002880216 371762660 /nfs/dbraw/zinc/76/26/60/371762660.db2.gz PXGNBLIXBYCABN-AWEZNQCLSA-N 1 0 287.359 2.828 50 0 CFAARO Fc1ccccc1OCCOCC[NH+]1CCCCC1 ZINC000002895642 371762992 /nfs/dbraw/zinc/76/29/92/371762992.db2.gz RPGKVEHWUKEXLJ-UHFFFAOYSA-N 1 0 267.344 2.707 50 0 CFAARO COc1ccc(CC[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000002901458 371763156 /nfs/dbraw/zinc/76/31/56/371763156.db2.gz MNGRPFMUVPRVMJ-UHFFFAOYSA-N 1 0 285.343 2.756 50 0 CFAARO COCC[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000002931527 371764823 /nfs/dbraw/zinc/76/48/23/371764823.db2.gz LHGZSPMYPPBKJK-UHFFFAOYSA-N 1 0 264.152 2.608 50 0 CFAARO C[N@H+](CCOC(=O)c1ccc(F)cc1)C(C)(C)C ZINC000002971253 371766677 /nfs/dbraw/zinc/76/66/77/371766677.db2.gz BBFABUVBBRAVSE-UHFFFAOYSA-N 1 0 253.317 2.713 50 0 CFAARO CC[C@@H](C)c1ccc(OCCCC[NH2+]CCO)cc1 ZINC000003001109 371769296 /nfs/dbraw/zinc/76/92/96/371769296.db2.gz YEPQNWPLOCWGAJ-CQSZACIVSA-N 1 0 265.397 2.941 50 0 CFAARO [NH3+]C[C@@H](CC(=O)OCc1ccccc1)c1ccccc1 ZINC000003110079 371774697 /nfs/dbraw/zinc/77/46/97/371774697.db2.gz VUIARNKYBZPFBY-MRXNPFEDSA-N 1 0 269.344 2.862 50 0 CFAARO Cc1ccc(CNC(=O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000003342712 371793578 /nfs/dbraw/zinc/79/35/78/371793578.db2.gz MBIOSLMOOAEETM-GASCZTMLSA-N 1 0 274.408 2.874 50 0 CFAARO C[NH+](C)CCNC(=S)Nc1ccccc1C(C)(C)C ZINC000003345901 371793660 /nfs/dbraw/zinc/79/36/60/371793660.db2.gz HLUZPHFGFPEVAC-UHFFFAOYSA-N 1 0 279.453 2.832 50 0 CFAARO CC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000003538726 371807539 /nfs/dbraw/zinc/80/75/39/371807539.db2.gz WSKNHTQXZZRTNY-UHFFFAOYSA-N 1 0 272.392 2.846 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000003678322 371813758 /nfs/dbraw/zinc/81/37/58/371813758.db2.gz LWNDERJMKXNISZ-JTQLQIEISA-N 1 0 261.243 2.658 50 0 CFAARO CCCCOc1ccc(C(=O)O[C@H](C)C[NH+](C)C)cc1 ZINC000003647703 371813983 /nfs/dbraw/zinc/81/39/83/371813983.db2.gz CRQHRCJDUWKZHW-CYBMUJFWSA-N 1 0 279.380 2.972 50 0 CFAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000004263185 371846181 /nfs/dbraw/zinc/84/61/81/371846181.db2.gz CRZVQVZEELAJAD-YOEHRIQHSA-N 1 0 289.419 2.789 50 0 CFAARO C[C@H]1CN(C(=[NH2+])c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000004323624 371848687 /nfs/dbraw/zinc/84/86/87/371848687.db2.gz QBUIZOZCKUPZGT-UWVGGRQHSA-N 1 0 252.745 2.775 50 0 CFAARO [NH3+][C@@H](Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000004366280 371852814 /nfs/dbraw/zinc/85/28/14/371852814.db2.gz GZEXZRYSGXWVDG-AWEZNQCLSA-N 1 0 255.317 2.700 50 0 CFAARO Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)s1 ZINC000004988986 371877484 /nfs/dbraw/zinc/87/74/84/371877484.db2.gz YLJZEAZWERJIQX-UHFFFAOYSA-N 1 0 273.405 2.774 50 0 CFAARO CN(C(=O)Nc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000004957100 371877513 /nfs/dbraw/zinc/87/75/13/371877513.db2.gz SLNBBANZJZJEMZ-UHFFFAOYSA-N 1 0 281.787 2.898 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000005043840 371878328 /nfs/dbraw/zinc/87/83/28/371878328.db2.gz SHPNFGBQDWCUCX-ZZFFKQLHSA-N 1 0 290.451 2.803 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000004167140 371838375 /nfs/dbraw/zinc/83/83/75/371838375.db2.gz HOTLIFUDQTYBKZ-HOTGVXAUSA-N 1 0 277.408 2.918 50 0 CFAARO OCC1(Cc2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000011938140 371939165 /nfs/dbraw/zinc/93/91/65/371939165.db2.gz BFVRZPQNEYQBJG-UHFFFAOYSA-N 1 0 296.414 2.899 50 0 CFAARO c1ccc(-c2noc(C[NH+]3CCCCCCC3)n2)nc1 ZINC000011815944 371929295 /nfs/dbraw/zinc/92/92/95/371929295.db2.gz JUDWSUZZZZJQMD-UHFFFAOYSA-N 1 0 272.352 2.898 50 0 CFAARO Cc1cccc(CC(=O)NCC2CC[NH+](C(C)C)CC2)c1 ZINC000012442774 371964407 /nfs/dbraw/zinc/96/44/07/371964407.db2.gz XIOHFXFXTIOGTJ-UHFFFAOYSA-N 1 0 288.435 2.774 50 0 CFAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](C)C1 ZINC000012475467 371964486 /nfs/dbraw/zinc/96/44/86/371964486.db2.gz PDHGYLYAZCWQBM-JTQLQIEISA-N 1 0 267.756 2.873 50 0 CFAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccoc1 ZINC000012537453 371971482 /nfs/dbraw/zinc/97/14/82/371971482.db2.gz DHDZLSRLEKOVLA-UHFFFAOYSA-N 1 0 299.374 2.592 50 0 CFAARO O=C(N[C@H]1CCC[N@H+](CCc2ccccc2)C1)c1ccco1 ZINC000012572264 371975693 /nfs/dbraw/zinc/97/56/93/371975693.db2.gz RVFSVTXQEJTPFC-INIZCTEOSA-N 1 0 298.386 2.717 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccncc2)C1 ZINC000012648704 371979670 /nfs/dbraw/zinc/97/96/70/371979670.db2.gz LBUYCRLVNHYWHB-AWEZNQCLSA-N 1 0 291.395 2.571 50 0 CFAARO CCc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000012882061 371993951 /nfs/dbraw/zinc/99/39/51/371993951.db2.gz MFJHWSGGACIUQY-GDBMZVCRSA-N 1 0 277.408 2.721 50 0 CFAARO CC(=O)c1ccc(NC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000012910148 371997629 /nfs/dbraw/zinc/99/76/29/371997629.db2.gz PMJIVCOWCVDWLA-UHFFFAOYSA-N 1 0 291.395 2.599 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)C1CCCC1)c1ccsc1 ZINC000012348700 371953202 /nfs/dbraw/zinc/95/32/02/371953202.db2.gz COHWNGIEQXYEDJ-ZDUSSCGKSA-N 1 0 266.410 2.657 50 0 CFAARO OC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccccc1)(C3)C2 ZINC000013728136 372044753 /nfs/dbraw/zinc/04/47/53/372044753.db2.gz ILOBSLACVDHHLE-RYTJFDOTSA-N 1 0 257.377 2.860 50 0 CFAARO C[N@H+](CC(=O)N1CCCCC1)[C@H]1CCc2ccccc21 ZINC000012986648 372008085 /nfs/dbraw/zinc/00/80/85/372008085.db2.gz WKVOHIGTOSLXBR-INIZCTEOSA-N 1 0 272.392 2.618 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Cc1cccs1)c1ccsc1 ZINC000013011142 372009409 /nfs/dbraw/zinc/00/94/09/372009409.db2.gz VVNYCPRVNMNUFF-CYBMUJFWSA-N 1 0 294.445 2.771 50 0 CFAARO CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000016606404 372112827 /nfs/dbraw/zinc/11/28/27/372112827.db2.gz XDIKQQCETZABBZ-UHFFFAOYSA-N 1 0 274.408 2.733 50 0 CFAARO CCCc1cc(C(=O)NC2CC[NH+](CC)CC2)cs1 ZINC000016604819 372113179 /nfs/dbraw/zinc/11/31/79/372113179.db2.gz IXPIHJKEDAFEHU-UHFFFAOYSA-N 1 0 280.437 2.915 50 0 CFAARO CCCCc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000016604007 372113579 /nfs/dbraw/zinc/11/35/79/372113579.db2.gz IBQGUILSJJLORD-UHFFFAOYSA-N 1 0 274.408 2.853 50 0 CFAARO COc1cc(C[NH2+]Cc2ccccc2F)cc2c1OCO2 ZINC000014197267 372064589 /nfs/dbraw/zinc/06/45/89/372064589.db2.gz GCOLXBWMNLIUNW-UHFFFAOYSA-N 1 0 289.306 2.853 50 0 CFAARO Cc1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000014631852 372072379 /nfs/dbraw/zinc/07/23/79/372072379.db2.gz WEMGTNQNEPZEEF-LLVKDONJSA-N 1 0 270.170 2.888 50 0 CFAARO O=C1c2ccccc2C(=O)N1C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000014983408 372077141 /nfs/dbraw/zinc/07/71/41/372077141.db2.gz IJHKXSCEURLJGJ-CJNGLKHVSA-N 1 0 298.386 2.547 50 0 CFAARO CCOC(=O)[C@@H]1CC2(CCCCC2)[N@@H+]2CCC[C@@H]12 ZINC000014987480 372077284 /nfs/dbraw/zinc/07/72/84/372077284.db2.gz DUXGYQFYWPNKJS-OLZOCXBDSA-N 1 0 251.370 2.737 50 0 CFAARO CCCn1ncc(C[NH2+][C@@H]2COc3ccccc3C2)c1C ZINC000019225141 372150919 /nfs/dbraw/zinc/15/09/19/372150919.db2.gz LWQPRLNPLBTVFU-INIZCTEOSA-N 1 0 285.391 2.695 50 0 CFAARO c1ccc(C(c2ccccc2)N2CC[NH2+]CC2)cc1 ZINC000019230112 372151228 /nfs/dbraw/zinc/15/12/28/372151228.db2.gz NWVNXDKZIQLBNM-UHFFFAOYSA-N 1 0 252.361 2.681 50 0 in-vitro CFAARO Cc1nn(C)c(C)c1C[N@H+](C)CCc1n[nH]c2ccccc21 ZINC000019300429 372154350 /nfs/dbraw/zinc/15/43/50/372154350.db2.gz GWBCBGXRGMGJCS-UHFFFAOYSA-N 1 0 297.406 2.588 50 0 CFAARO Fc1ccccc1CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000019348690 372156491 /nfs/dbraw/zinc/15/64/91/372156491.db2.gz NKLUAVMOIRKEFE-UHFFFAOYSA-N 1 0 273.307 2.887 50 0 CFAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3ccco3)CC2)C1 ZINC000019359612 372156573 /nfs/dbraw/zinc/15/65/73/372156573.db2.gz MOFUDSRRLJQSIF-HUUCEWRRSA-N 1 0 262.397 2.976 50 0 CFAARO c1coc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000019342342 372157220 /nfs/dbraw/zinc/15/72/20/372157220.db2.gz AAXKJJXQIOKEKP-OAHLLOKOSA-N 1 0 260.381 2.754 50 0 CFAARO C[C@H]1CCC[C@H]([NH+]2CCN(Cc3ccncc3)CC2)C1 ZINC000019496031 372167692 /nfs/dbraw/zinc/16/76/92/372167692.db2.gz GVLRXWWWGGUALN-RDJZCZTQSA-N 1 0 273.424 2.778 50 0 CFAARO CC[C@@H](C)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019499945 372169717 /nfs/dbraw/zinc/16/97/17/372169717.db2.gz NJXHPFZFRCTUGC-CYBMUJFWSA-N 1 0 250.361 2.742 50 0 CFAARO Cc1[nH]c2c(cc(C)cc2C)c1CC[N@@H+]1CC[C@H](O)C1 ZINC000019732146 372182263 /nfs/dbraw/zinc/18/22/63/372182263.db2.gz NPIOINLCJGOSFL-AWEZNQCLSA-N 1 0 272.392 2.702 50 0 CFAARO CCN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019537264 372173428 /nfs/dbraw/zinc/17/34/28/372173428.db2.gz PPBSKIUHAMTMQB-UHFFFAOYSA-N 1 0 254.377 2.977 50 0 CFAARO CSc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000019536722 372174338 /nfs/dbraw/zinc/17/43/38/372174338.db2.gz LUDUOUVWULFVST-UHFFFAOYSA-N 1 0 250.411 2.546 50 0 CFAARO Cc1ccccc1CCc1nnc(C2CC[NH2+]CC2)o1 ZINC000019733393 372182439 /nfs/dbraw/zinc/18/24/39/372182439.db2.gz OTDHMOPRFDBVSV-UHFFFAOYSA-N 1 0 271.364 2.630 50 0 CFAARO COCC[N@H+](C)Cc1ccc(Cn2nc(C)cc2C)cc1 ZINC000019732005 372182501 /nfs/dbraw/zinc/18/25/01/372182501.db2.gz NJDZHPQSVWKKKF-UHFFFAOYSA-N 1 0 287.407 2.626 50 0 CFAARO CC[NH+](CC)CCN(C)Cc1ccc(F)cc1F ZINC000019637493 372178024 /nfs/dbraw/zinc/17/80/24/372178024.db2.gz QFJDCWISQWPHOB-UHFFFAOYSA-N 1 0 256.340 2.738 50 0 CFAARO CN(CC[NH+](C)C)Cc1c(Cl)cccc1Cl ZINC000019634278 372178145 /nfs/dbraw/zinc/17/81/45/372178145.db2.gz PTQPOHJZSWHYKL-UHFFFAOYSA-N 1 0 261.196 2.987 50 0 CFAARO Cc1ccc2cccc(C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)c2n1 ZINC000237496331 189878752 /nfs/dbraw/zinc/87/87/52/189878752.db2.gz IDFOIYALIHALJY-DZGCQCFKSA-N 1 0 297.402 2.743 50 0 CFAARO c1c(-c2ccccc2)sc2ncnc(N3CC[NH2+]CC3)c12 ZINC000019951827 372213584 /nfs/dbraw/zinc/21/35/84/372213584.db2.gz NVUJXBNXSURNCB-UHFFFAOYSA-N 1 0 296.399 2.768 50 0 CFAARO Cc1noc(C)c1C[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000019952264 372213675 /nfs/dbraw/zinc/21/36/75/372213675.db2.gz IUHIIDSBLVZJFS-MRXNPFEDSA-N 1 0 274.364 2.847 50 0 CFAARO CCOc1ccccc1C[NH2+]C[C@@H]1CCCN1CC ZINC000019959535 372215709 /nfs/dbraw/zinc/21/57/09/372215709.db2.gz GCAZXKHJDQJBCM-HNNXBMFYSA-N 1 0 262.397 2.659 50 0 CFAARO COc1ccccc1OCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020118703 372232001 /nfs/dbraw/zinc/23/20/01/372232001.db2.gz SGZOVOBZCNFWSZ-HUUCEWRRSA-N 1 0 293.407 2.963 50 0 CFAARO CCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019770429 372183779 /nfs/dbraw/zinc/18/37/79/372183779.db2.gz ZWHRIHAICXNCJO-UHFFFAOYSA-N 1 0 294.398 2.995 50 0 CFAARO Cc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019785098 372186873 /nfs/dbraw/zinc/18/68/73/372186873.db2.gz KPOJAAFMVVOASP-LJQANCHMSA-N 1 0 296.414 2.851 50 0 CFAARO c1ccc(COc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC000019787565 372188701 /nfs/dbraw/zinc/18/87/01/372188701.db2.gz RIRDSWLAIQLCPH-UHFFFAOYSA-N 1 0 282.387 2.671 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c[nH]1)c1ccsc1 ZINC000025331115 372297603 /nfs/dbraw/zinc/29/76/03/372297603.db2.gz CLLABJKJOMMJOQ-LBPRGKRZSA-N 1 0 297.811 2.762 50 0 CFAARO CCN(CC[NH+](CC)CC)Cc1cccc(F)c1 ZINC000022027365 372244877 /nfs/dbraw/zinc/24/48/77/372244877.db2.gz AHCDOLOZNHKASE-UHFFFAOYSA-N 1 0 252.377 2.989 50 0 CFAARO COCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023281005 372256181 /nfs/dbraw/zinc/25/61/81/372256181.db2.gz ARFRYVDNEOFHDW-JTQLQIEISA-N 1 0 261.287 2.872 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)c[nH]1)c1ccccc1 ZINC000023735861 372263988 /nfs/dbraw/zinc/26/39/88/372263988.db2.gz ICSSWCWJAHNPMP-AWEZNQCLSA-N 1 0 291.782 2.701 50 0 CFAARO CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000023701901 372265430 /nfs/dbraw/zinc/26/54/30/372265430.db2.gz GHHOSQIWGVQMIW-UHFFFAOYSA-N 1 0 292.382 2.921 50 0 CFAARO Oc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000025607412 372305264 /nfs/dbraw/zinc/30/52/64/372305264.db2.gz AGDPSYPPGBDUIX-KRWDZBQOSA-N 1 0 282.387 2.756 50 0 CFAARO NC(=O)[C@H]([NH2+]CCC1=CCCCC1)c1ccccc1 ZINC000026163012 372314227 /nfs/dbraw/zinc/31/42/27/372314227.db2.gz OHMHMCGCKUSLCZ-OAHLLOKOSA-N 1 0 258.365 2.693 50 0 CFAARO Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)n1 ZINC000026304699 372316301 /nfs/dbraw/zinc/31/63/01/372316301.db2.gz YMMWFOYHJWPZJT-UHFFFAOYSA-N 1 0 297.402 2.642 50 0 CFAARO C[NH+](C)CCNc1nc2c(cccc2Cl)s1 ZINC000026424015 372319844 /nfs/dbraw/zinc/31/98/44/372319844.db2.gz IYWQOKIYDPMKBO-UHFFFAOYSA-N 1 0 255.774 2.923 50 0 CFAARO CCC[NH+](CCC)CC(=O)Nc1cccc2nsnc21 ZINC000027270360 372337583 /nfs/dbraw/zinc/33/75/83/372337583.db2.gz MFRFABCUYVGXCI-UHFFFAOYSA-N 1 0 292.408 2.752 50 0 CFAARO NC(=O)c1ccc(C[N@H+](Cc2ccco2)C2CC2)cc1 ZINC000028073116 372357351 /nfs/dbraw/zinc/35/73/51/372357351.db2.gz USWQFGGQUXRAJI-UHFFFAOYSA-N 1 0 270.332 2.543 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3C)s1 ZINC000030908807 372401060 /nfs/dbraw/zinc/40/10/60/372401060.db2.gz MEHGTARRUGVPKC-ZDUSSCGKSA-N 1 0 261.394 2.957 50 0 CFAARO CC[C@@H](C[NH2+]Cc1ccc(NC(C)=O)cc1)N1CCCC1 ZINC000030902803 372401287 /nfs/dbraw/zinc/40/12/87/372401287.db2.gz UCCVQCZSEIQHDH-KRWDZBQOSA-N 1 0 289.423 2.609 50 0 CFAARO C[C@@H](C1CC1)[N@H+](Cc1cc(=O)n2ccsc2n1)C1CC1 ZINC000031654330 372414687 /nfs/dbraw/zinc/41/46/87/372414687.db2.gz ODEOQZRMTQRCLM-JTQLQIEISA-N 1 0 289.404 2.519 50 0 CFAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000032912066 372474713 /nfs/dbraw/zinc/47/47/13/372474713.db2.gz KNKPLDFMIFQOOA-INIZCTEOSA-N 1 0 272.392 2.567 50 0 CFAARO CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000032908781 372474894 /nfs/dbraw/zinc/47/48/94/372474894.db2.gz NDIXCODQDYSFGZ-HNNXBMFYSA-N 1 0 279.355 2.862 50 0 CFAARO CC(C)=CCC[C@@H](C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000032541215 372443134 /nfs/dbraw/zinc/44/31/34/372443134.db2.gz VGNOFIWQWBMWNU-CYBMUJFWSA-N 1 0 273.442 2.536 50 0 CFAARO CN(C(=O)c1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000033019488 372481620 /nfs/dbraw/zinc/48/16/20/372481620.db2.gz DKAVEDBWDJEEJI-UHFFFAOYSA-N 1 0 266.772 2.506 50 0 CFAARO O[C@@H](COc1ccccc1-c1cccnc1)C[NH+]1CCCC1 ZINC000032580895 372446263 /nfs/dbraw/zinc/44/62/63/372446263.db2.gz XFNUKSJMJHWDKL-MRXNPFEDSA-N 1 0 298.386 2.584 50 0 CFAARO C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000032611230 372450661 /nfs/dbraw/zinc/45/06/61/372450661.db2.gz IBIODXRBIPGNBP-NVXWUHKLSA-N 1 0 286.419 2.910 50 0 CFAARO C[C@H](CNC(=O)c1cc(C2CC2)nc2ccccc21)[NH+](C)C ZINC000032818618 372465735 /nfs/dbraw/zinc/46/57/35/372465735.db2.gz XUCPMIZVGBPAEZ-GFCCVEGCSA-N 1 0 297.402 2.792 50 0 CFAARO Cc1cccc(COc2ccc(C[NH2+]CCO)cc2)c1 ZINC000033440396 372493773 /nfs/dbraw/zinc/49/37/73/372493773.db2.gz ZHVZYDOMNMKITJ-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO COc1ccccc1C[NH+]1CCC(Nc2ncccn2)CC1 ZINC000033873016 372501770 /nfs/dbraw/zinc/50/17/70/372501770.db2.gz OHYIAJZHSMTWGC-UHFFFAOYSA-N 1 0 298.390 2.562 50 0 CFAARO C[NH+](C)C[C@@H]1CCCC[C@]1(O)c1ccc(Cl)nc1 ZINC000034399291 372507752 /nfs/dbraw/zinc/50/77/52/372507752.db2.gz XACXTIXNRHOMPK-JSGCOSHPSA-N 1 0 268.788 2.674 50 0 CFAARO OC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1O ZINC000034785139 372514886 /nfs/dbraw/zinc/51/48/86/372514886.db2.gz JPLSIBRFAFEEDC-DOTOQJQBSA-N 1 0 283.371 2.600 50 0 CFAARO Cc1ccc(C[N@H+](C[C@H](O)COCC(C)C)CC2CC2)o1 ZINC000036098009 372558860 /nfs/dbraw/zinc/55/88/60/372558860.db2.gz CJWSKCNPBKFAQY-INIZCTEOSA-N 1 0 295.423 2.834 50 0 CFAARO Nc1cccc(C[N@H+](C[C@H]2CCCCO2)C2CC2)c1 ZINC000036231155 372567536 /nfs/dbraw/zinc/56/75/36/372567536.db2.gz BJRMIMHQJVVGBB-MRXNPFEDSA-N 1 0 260.381 2.802 50 0 CFAARO Cc1cccc(N2CCN(c3ccc(N)c(C)[nH+]3)CC2)c1 ZINC000036250924 372568385 /nfs/dbraw/zinc/56/83/85/372568385.db2.gz OOMWRMHYJIAXSZ-UHFFFAOYSA-N 1 0 282.391 2.607 50 0 CFAARO CCOCC[NH2+]Cc1ccc(Br)cc1 ZINC000036201891 372568684 /nfs/dbraw/zinc/56/86/84/372568684.db2.gz KEULVRSARHRFKC-UHFFFAOYSA-N 1 0 258.159 2.575 50 0 CFAARO CC(C)[NH+](C[C@H](C)NC(=O)c1cc(C2CC2)n[nH]1)C(C)C ZINC000036614192 372582015 /nfs/dbraw/zinc/58/20/15/372582015.db2.gz GVQTZOOJGUSZPV-LBPRGKRZSA-N 1 0 292.427 2.524 50 0 CFAARO Cc1ccccc1NC(=O)C[NH2+]Cc1cccs1 ZINC000036984136 372622494 /nfs/dbraw/zinc/62/24/94/372622494.db2.gz XROJVEBYENMKFU-UHFFFAOYSA-N 1 0 260.362 2.785 50 0 CFAARO CC[C@H]([NH3+])C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000037004739 372626701 /nfs/dbraw/zinc/62/67/01/372626701.db2.gz HCESOXYDVYLVCL-NSHDSACASA-N 1 0 299.212 2.538 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000037099989 372649444 /nfs/dbraw/zinc/64/94/44/372649444.db2.gz OUBMJFNHXVXRDW-GHMZBOCLSA-N 1 0 261.291 2.929 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000037099990 372649574 /nfs/dbraw/zinc/64/95/74/372649574.db2.gz OUBMJFNHXVXRDW-MNOVXSKESA-N 1 0 261.291 2.929 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000037648375 372685406 /nfs/dbraw/zinc/68/54/06/372685406.db2.gz IDSHXFJUBGWZMS-NEPJUHHUSA-N 1 0 287.329 2.616 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000037879958 372731322 /nfs/dbraw/zinc/73/13/22/372731322.db2.gz ORCJEQNFSJQHEE-QMMMGPOBSA-N 1 0 251.280 2.847 50 0 CFAARO O=C(CCc1ccccc1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037915901 372735849 /nfs/dbraw/zinc/73/58/49/372735849.db2.gz MEWJGCMHKCCAPC-KRWDZBQOSA-N 1 0 286.419 2.610 50 0 CFAARO CC/C=C(\C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000042752979 372952345 /nfs/dbraw/zinc/95/23/45/372952345.db2.gz SJNMJPSCKQFYQD-NTUHNPAUSA-N 1 0 260.381 2.721 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccsc1 ZINC000048309416 373161146 /nfs/dbraw/zinc/16/11/46/373161146.db2.gz PFJJJQSEIDDEDT-TZMCWYRMSA-N 1 0 278.421 2.823 50 0 CFAARO Cc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)c(C)o1 ZINC000048313054 373161421 /nfs/dbraw/zinc/16/14/21/373161421.db2.gz CIZUJMWBVOASEA-UHFFFAOYSA-N 1 0 278.396 2.748 50 0 CFAARO COc1ccc2ccccc2c1C[NH2+]CCn1cccn1 ZINC000048449492 373184858 /nfs/dbraw/zinc/18/48/58/373184858.db2.gz RJLILPKSIWUEPF-UHFFFAOYSA-N 1 0 281.359 2.835 50 0 CFAARO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049096400 373269213 /nfs/dbraw/zinc/26/92/13/373269213.db2.gz NPSYQBOAIRFZQR-INIZCTEOSA-N 1 0 268.360 2.664 50 0 CFAARO c1csc(C[NH+]2CC(c3nc(-c4cccnc4)no3)C2)c1 ZINC000049483575 373303599 /nfs/dbraw/zinc/30/35/99/373303599.db2.gz ZWAQJFPFLJNWPP-UHFFFAOYSA-N 1 0 298.371 2.793 50 0 CFAARO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000049480050 373303754 /nfs/dbraw/zinc/30/37/54/373303754.db2.gz POMTWUFMSBQOMD-UHFFFAOYSA-N 1 0 283.803 2.615 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCC=CO1 ZINC000050269007 373367767 /nfs/dbraw/zinc/36/77/67/373367767.db2.gz FARAVOIUSWVAMZ-CJNGLKHVSA-N 1 0 261.365 2.996 50 0 CFAARO Cc1noc(C)c1C[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000051705849 373406784 /nfs/dbraw/zinc/40/67/84/373406784.db2.gz JMYCNOMQDUXTAC-HNNXBMFYSA-N 1 0 278.327 2.596 50 0 CFAARO CC(C)c1noc([C@@H](C)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000051952916 373420570 /nfs/dbraw/zinc/42/05/70/373420570.db2.gz KEEKJDWLOUSEEC-CYBMUJFWSA-N 1 0 292.427 2.814 50 0 CFAARO COc1ccccc1C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000051999834 373428762 /nfs/dbraw/zinc/42/87/62/373428762.db2.gz FXSGUWYUWGYXDI-QEJZJMRPSA-N 1 0 263.381 2.519 50 0 CFAARO COc1ccc([C@H](C)[NH2+]CC2CCOCC2)cc1F ZINC000052177843 373439283 /nfs/dbraw/zinc/43/92/83/373439283.db2.gz WYPHTVVSZCYSIQ-NSHDSACASA-N 1 0 267.344 2.912 50 0 CFAARO C[N@H+](Cc1ccc(Cl)s1)CC1(CO)CCOCC1 ZINC000052199571 373442535 /nfs/dbraw/zinc/44/25/35/373442535.db2.gz PGLWYSANJDIJQL-UHFFFAOYSA-N 1 0 289.828 2.622 50 0 CFAARO C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000069818312 220205405 /nfs/dbraw/zinc/20/54/05/220205405.db2.gz UVJOGWQLSPZSKI-OTMARIDSSA-N 1 0 286.419 2.543 50 0 CFAARO COc1cccc(C[NH+]2CCC(c3nc(C)no3)CC2)c1 ZINC000054347598 373522707 /nfs/dbraw/zinc/52/27/07/373522707.db2.gz MRPSXPSGRUAFAT-UHFFFAOYSA-N 1 0 287.363 2.766 50 0 CFAARO Cc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)o1 ZINC000057353456 373589667 /nfs/dbraw/zinc/58/96/67/373589667.db2.gz SKTQMECDRRNQMM-UHFFFAOYSA-N 1 0 255.321 2.797 50 0 CFAARO CNc1ncccc1C[N@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000055053830 373537736 /nfs/dbraw/zinc/53/77/36/373537736.db2.gz SZSCCBJYDOVOBT-CQSZACIVSA-N 1 0 284.407 2.890 50 0 CFAARO CC[C@H](C)c1ccccc1OCC(=O)NCCCC[NH2+]C ZINC000055119331 373541504 /nfs/dbraw/zinc/54/15/04/373541504.db2.gz SLALGJNHWNMJHP-AWEZNQCLSA-N 1 0 292.423 2.695 50 0 CFAARO C[C@@H]([NH2+]Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000055420896 373551634 /nfs/dbraw/zinc/55/16/34/373551634.db2.gz XHSUXBNTECAPJX-CYBMUJFWSA-N 1 0 254.333 2.803 50 0 CFAARO COc1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000055422079 373552376 /nfs/dbraw/zinc/55/23/76/373552376.db2.gz VPFDTGPLBQAZNC-CYBMUJFWSA-N 1 0 284.359 2.812 50 0 CFAARO Oc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055543331 373556272 /nfs/dbraw/zinc/55/62/72/373556272.db2.gz KFFAXWKHIJAKRD-UHFFFAOYSA-N 1 0 268.360 2.714 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC000058015410 373622965 /nfs/dbraw/zinc/62/29/65/373622965.db2.gz MPZGNOXKZSPKDZ-CQSZACIVSA-N 1 0 252.402 2.509 50 0 CFAARO O=C(CCc1ccccc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058183167 373631502 /nfs/dbraw/zinc/63/15/02/373631502.db2.gz IBDOVUGPEWLAKE-CYBMUJFWSA-N 1 0 292.810 2.626 50 0 CFAARO C[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1ccc(Cl)s1 ZINC000058298934 373642246 /nfs/dbraw/zinc/64/22/46/373642246.db2.gz HCZQHDLXEBIYHX-ZJUUUORDSA-N 1 0 296.827 2.991 50 0 CFAARO C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000058358050 373651028 /nfs/dbraw/zinc/65/10/28/373651028.db2.gz GZTWDANWFZEIFW-ZDUSSCGKSA-N 1 0 260.381 2.620 50 0 CFAARO Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000058405369 373654514 /nfs/dbraw/zinc/65/45/14/373654514.db2.gz JNLGZLWDAHTUIU-UHFFFAOYSA-N 1 0 297.406 2.566 50 0 CFAARO COCC[NH+](CCOC)Cc1cccc2ccccc21 ZINC000057996649 373620622 /nfs/dbraw/zinc/62/06/22/373620622.db2.gz LKRDPXGKJYCWPE-UHFFFAOYSA-N 1 0 273.376 2.935 50 0 CFAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1nnc(C)o1 ZINC000058525718 373660671 /nfs/dbraw/zinc/66/06/71/373660671.db2.gz HWLUZKCNBDGWHJ-CQSZACIVSA-N 1 0 287.363 2.594 50 0 CFAARO C[C@@H]1CCC[N@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000065497379 373879023 /nfs/dbraw/zinc/87/90/23/373879023.db2.gz XWIBCLLRUOHOSS-DYVFJYSZSA-N 1 0 251.395 2.526 50 0 CFAARO O=C(C[NH2+]C1CCCCCC1)NCCc1ccc(F)cc1 ZINC000065508111 373879575 /nfs/dbraw/zinc/87/95/75/373879575.db2.gz OZTGKLISIQZCIG-UHFFFAOYSA-N 1 0 292.398 2.797 50 0 CFAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1ccc2c(c1)OCCO2 ZINC000065492663 373879845 /nfs/dbraw/zinc/87/98/45/373879845.db2.gz TZOPVDZVVLLTCH-OAHLLOKOSA-N 1 0 291.391 2.849 50 0 CFAARO Cc1n[nH]cc1C[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000065500886 373880363 /nfs/dbraw/zinc/88/03/63/373880363.db2.gz TYKKCVYBMMCCRF-UHFFFAOYSA-N 1 0 299.296 2.906 50 0 CFAARO CC[C@@H](c1cccnc1)[N@H+](C)C1CCN(CC)CC1 ZINC000065497436 373880442 /nfs/dbraw/zinc/88/04/42/373880442.db2.gz PACKGWOANMLRMC-INIZCTEOSA-N 1 0 261.413 2.949 50 0 CFAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1C(F)(F)F ZINC000065522176 373882145 /nfs/dbraw/zinc/88/21/45/373882145.db2.gz FUGRJAUPPOPIAS-JTQLQIEISA-N 1 0 298.308 2.672 50 0 CFAARO O=C(c1ccc(C[NH2+][C@H]2CCSC2)cc1)N1CCCC1 ZINC000065536152 373884608 /nfs/dbraw/zinc/88/46/08/373884608.db2.gz SZEHBZBMILUXLP-HNNXBMFYSA-N 1 0 290.432 2.518 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@@H](O)CSc1ccccn1 ZINC000065539750 373884641 /nfs/dbraw/zinc/88/46/41/373884641.db2.gz OBJIXYNZJQQSJH-OAHLLOKOSA-N 1 0 288.416 2.667 50 0 CFAARO C/C=C(\C)C[N@H+](C)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000065533740 373884752 /nfs/dbraw/zinc/88/47/52/373884752.db2.gz FPCLNJWFVYDYSQ-QJIMOZNHSA-N 1 0 264.413 2.676 50 0 CFAARO CCOC(=O)c1ccoc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000065550863 373887452 /nfs/dbraw/zinc/88/74/52/373887452.db2.gz YNKYYOGQLMSHOV-JTQLQIEISA-N 1 0 251.326 2.687 50 0 CFAARO Cc1noc([C@H](C)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000065591161 373892157 /nfs/dbraw/zinc/89/21/57/373892157.db2.gz CNHQGRGCVIPEFM-ZDUSSCGKSA-N 1 0 292.427 2.637 50 0 CFAARO CC[NH+](CC)CC1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000065609036 373895683 /nfs/dbraw/zinc/89/56/83/373895683.db2.gz NSEZFPOWBDCQDE-UHFFFAOYSA-N 1 0 289.423 2.584 50 0 CFAARO CC(C)C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000065288710 373854784 /nfs/dbraw/zinc/85/47/84/373854784.db2.gz NWTKONIMWLLQRC-AWEZNQCLSA-N 1 0 252.402 2.509 50 0 CFAARO C[NH+]1CCC(NC(=O)CCSCc2ccccc2)CC1 ZINC000065364007 373857110 /nfs/dbraw/zinc/85/71/10/373857110.db2.gz VPSWQBWUDVGFNP-UHFFFAOYSA-N 1 0 292.448 2.520 50 0 CFAARO COc1ccc(CN2CCC[N@H+](CC(C)C)CC2)cc1O ZINC000065388060 373863411 /nfs/dbraw/zinc/86/34/11/373863411.db2.gz LNVYSVCXIGRWHP-UHFFFAOYSA-N 1 0 292.423 2.565 50 0 CFAARO COCc1cc(C[NH2+][C@H](C)CCc2ccccc2)[nH]n1 ZINC000065395306 373864321 /nfs/dbraw/zinc/86/43/21/373864321.db2.gz RCIAWSMHMBYSQQ-CYBMUJFWSA-N 1 0 273.380 2.667 50 0 CFAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1[C@H]1CCCO1 ZINC000065395190 373864661 /nfs/dbraw/zinc/86/46/61/373864661.db2.gz KJCMRGCMXULAKT-CYBMUJFWSA-N 1 0 272.352 2.946 50 0 CFAARO Cn1cc(C[N@H+](CCc2ccccc2)C2CC2)cn1 ZINC000065422644 373868447 /nfs/dbraw/zinc/86/84/47/373868447.db2.gz HUCLMRXEKYPGDD-UHFFFAOYSA-N 1 0 255.365 2.627 50 0 CFAARO CCCn1cnnc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000065457701 373875711 /nfs/dbraw/zinc/87/57/11/373875711.db2.gz LIVSUPXHZLNDTA-CQSZACIVSA-N 1 0 272.396 2.799 50 0 CFAARO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CC(C)C ZINC000065961682 373907433 /nfs/dbraw/zinc/90/74/33/373907433.db2.gz YOSSTSFTHMUXQW-AWEZNQCLSA-N 1 0 262.397 2.588 50 0 CFAARO CC[C@H](C)[N@H+](C)CCNC(=O)COc1ccccc1Cl ZINC000066137523 373914129 /nfs/dbraw/zinc/91/41/29/373914129.db2.gz ZQAJZNFTNHLBEN-LBPRGKRZSA-N 1 0 298.814 2.565 50 0 CFAARO Cc1ccccc1CCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000067725853 373996952 /nfs/dbraw/zinc/99/69/52/373996952.db2.gz OLTVASPHEKQQNK-INIZCTEOSA-N 1 0 288.435 2.776 50 0 CFAARO C[C@H](c1ccc(-c2cnc(N)cn2)cc1)[NH+]1CCCC1 ZINC000067756116 373998876 /nfs/dbraw/zinc/99/88/76/373998876.db2.gz HUAMFZLVKLBKDD-GFCCVEGCSA-N 1 0 268.364 2.883 50 0 CFAARO Cc1nc(C)c(-c2cccc3c2O[C@H](C[NH3+])C3)s1 ZINC000067788903 374002055 /nfs/dbraw/zinc/00/20/55/374002055.db2.gz WRPJODUILLQEGR-NSHDSACASA-N 1 0 260.362 2.689 50 0 CFAARO COc1ccc(-c2nccn2CCC[NH+](C)C)c(OC)c1 ZINC000067850013 374009654 /nfs/dbraw/zinc/00/96/54/374009654.db2.gz DBVCHVHYYVZNQR-UHFFFAOYSA-N 1 0 289.379 2.519 50 0 CFAARO COc1ccc(-c2ccccc2CC[NH3+])c(OC)c1 ZINC000067854829 374009802 /nfs/dbraw/zinc/00/98/02/374009802.db2.gz DNVAVXBFHYEYBT-UHFFFAOYSA-N 1 0 257.333 2.872 50 0 CFAARO CC(C)c1ccc2cc(C(=O)NC[C@H]3CC[N@H+](C)C3)[nH]c2c1 ZINC000067885482 374012995 /nfs/dbraw/zinc/01/29/95/374012995.db2.gz IZVGNIZEQHZNPB-CYBMUJFWSA-N 1 0 299.418 2.973 50 0 CFAARO C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1nc2ccccc2[nH]1 ZINC000067895451 374013845 /nfs/dbraw/zinc/01/38/45/374013845.db2.gz BNMKOKPWZDHJGC-ZDUSSCGKSA-N 1 0 295.390 2.911 50 0 CFAARO CSCc1noc(C[NH2+][C@H]2CCCC(C)(C)C2)n1 ZINC000067935307 374016187 /nfs/dbraw/zinc/01/61/87/374016187.db2.gz WFRYEPQFBDGMHE-JTQLQIEISA-N 1 0 269.414 2.991 50 0 CFAARO Cc1ccc2[nH]c(C[NH2+][C@@H](C)Cc3cnccn3)nc2c1C ZINC000067473357 373981816 /nfs/dbraw/zinc/98/18/16/373981816.db2.gz XVHBRRRISHTDAB-LBPRGKRZSA-N 1 0 295.390 2.691 50 0 CFAARO Cc1oc(-c2ccccc2C)nc1CN1CCC[C@@H](O)C1 ZINC000067675415 373990046 /nfs/dbraw/zinc/99/00/46/373990046.db2.gz RKUGZIVQBXNURF-CQSZACIVSA-N 1 0 286.375 2.915 50 0 CFAARO CC[N@@H+](Cc1ccc2cccc(O)c2n1)C[C@H]1CCCO1 ZINC000067654533 373990311 /nfs/dbraw/zinc/99/03/11/373990311.db2.gz KULYFECDHLWZSC-OAHLLOKOSA-N 1 0 286.375 2.941 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000247440261 189939028 /nfs/dbraw/zinc/93/90/28/189939028.db2.gz WRMIKHABLSAKSM-FSDCSDTHSA-N 1 0 286.419 2.684 50 0 CFAARO C([C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1)N1CCCCC1 ZINC000069078360 374045805 /nfs/dbraw/zinc/04/58/05/374045805.db2.gz JDBPKYNBHDYTNL-CVEARBPZSA-N 1 0 266.429 2.506 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1cc(-c2ccccc2)no1 ZINC000069368665 374055733 /nfs/dbraw/zinc/05/57/33/374055733.db2.gz WQQSMKWRAMPAMJ-CYBMUJFWSA-N 1 0 282.347 2.716 50 0 CFAARO CCn1c(C[NH2+][C@H](C)[C@@H](C)n2cccn2)nc2ccccc21 ZINC000069372388 374058050 /nfs/dbraw/zinc/05/80/50/374058050.db2.gz KPEWYTLXZBRENU-ZIAGYGMSSA-N 1 0 297.406 2.992 50 0 CFAARO CCn1c(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)nc2ccccc21 ZINC000069372383 374058250 /nfs/dbraw/zinc/05/82/50/374058250.db2.gz KPEWYTLXZBRENU-UONOGXRCSA-N 1 0 297.406 2.992 50 0 CFAARO CC[NH+](CC)[C@@H](C(=O)NCC(F)(F)F)c1ccccc1 ZINC000069420286 374061788 /nfs/dbraw/zinc/06/17/88/374061788.db2.gz OASRIDJAGWZFFM-GFCCVEGCSA-N 1 0 288.313 2.748 50 0 CFAARO Cc1cccc2nc(C[N@@H+]3CCC[C@H]3Cn3cccn3)cn21 ZINC000069653637 374082619 /nfs/dbraw/zinc/08/26/19/374082619.db2.gz FFROQXMYIAJEJK-INIZCTEOSA-N 1 0 295.390 2.504 50 0 CFAARO CC[N@H+](C)[C@H](C(=O)NCCc1ccco1)c1ccccc1 ZINC000069487898 374067420 /nfs/dbraw/zinc/06/74/20/374067420.db2.gz VPMDIMDRXIDHBG-INIZCTEOSA-N 1 0 286.375 2.631 50 0 CFAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cnc(C)s2)c1 ZINC000069490455 374068208 /nfs/dbraw/zinc/06/82/08/374068208.db2.gz SWPJXDDMERFLIX-MNOVXSKESA-N 1 0 264.398 2.696 50 0 CFAARO CC[C@@](CO)([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000069928811 374112414 /nfs/dbraw/zinc/11/24/14/374112414.db2.gz MZXRSGHOJCNLKO-INIZCTEOSA-N 1 0 274.364 2.679 50 0 CFAARO Cc1cc(C)n(C[C@@H]2CCC[N@H+]2Cc2cnc(C)s2)n1 ZINC000070004163 374115000 /nfs/dbraw/zinc/11/50/00/374115000.db2.gz VZQWMMPZXLMBFY-AWEZNQCLSA-N 1 0 290.436 2.929 50 0 CFAARO Cc1ccsc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069667709 374085663 /nfs/dbraw/zinc/08/56/63/374085663.db2.gz IOVKTXOJMHETEC-OLZOCXBDSA-N 1 0 278.421 2.755 50 0 CFAARO C[C@@H](NC1=[NH+]CCN1)c1ccc(Cl)cc1Cl ZINC000069738990 374091174 /nfs/dbraw/zinc/09/11/74/374091174.db2.gz RTYOMVJMURMXSX-SSDOTTSWSA-N 1 0 258.152 2.603 50 0 CFAARO CC[C@H](C(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000069779530 374096363 /nfs/dbraw/zinc/09/63/63/374096363.db2.gz OSPMOSATSIHIDO-INIZCTEOSA-N 1 0 274.408 2.734 50 0 CFAARO CSc1ccc(NC(=O)CSCC[NH+](C)C)cc1 ZINC000069810785 374100784 /nfs/dbraw/zinc/10/07/84/374100784.db2.gz PNMSSFYBKNBDCY-UHFFFAOYSA-N 1 0 284.450 2.642 50 0 CFAARO Cc1cnn(C[C@@H]2CCCC[N@@H+]2Cc2cc(C)no2)c1 ZINC000069816211 374103087 /nfs/dbraw/zinc/10/30/87/374103087.db2.gz LIHTYJRZDILDFG-AWEZNQCLSA-N 1 0 274.368 2.543 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000070172209 374137222 /nfs/dbraw/zinc/13/72/22/374137222.db2.gz LQXMNYQSVQNRKF-YUMQZZPRSA-N 1 0 290.194 2.521 50 0 CFAARO C[C@H]1CCCN(C(=O)CCCc2ccccc2)[C@@H]1C[NH3+] ZINC000070177043 374141711 /nfs/dbraw/zinc/14/17/11/374141711.db2.gz BEMNBKXDZKBGIR-GOEBONIOSA-N 1 0 274.408 2.595 50 0 CFAARO CCc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000070177096 374142197 /nfs/dbraw/zinc/14/21/97/374142197.db2.gz TZLZEYGUTCMCEZ-CMPLNLGQSA-N 1 0 266.410 2.510 50 0 CFAARO COc1ccc2ccccc2c1-c1cc(C[NH3+])on1 ZINC000070427136 374174047 /nfs/dbraw/zinc/17/40/47/374174047.db2.gz VIBVULDROJWZHQ-UHFFFAOYSA-N 1 0 254.289 2.962 50 0 CFAARO c1cc2c(c(-c3cc(N4CCCCC4)ncn3)c1)CC[NH2+]C2 ZINC000071615239 374219350 /nfs/dbraw/zinc/21/93/50/374219350.db2.gz SJGWAFRFKVHWRE-UHFFFAOYSA-N 1 0 294.402 2.780 50 0 CFAARO CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071762162 374221245 /nfs/dbraw/zinc/22/12/45/374221245.db2.gz DDXOJWIBQYMJKG-KRWDZBQOSA-N 1 0 292.398 2.905 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccnc1N1CCCCC1 ZINC000071832874 374227665 /nfs/dbraw/zinc/22/76/65/374227665.db2.gz MJCHIYMJOMZEOP-UHFFFAOYSA-N 1 0 299.422 2.702 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000071819509 374228372 /nfs/dbraw/zinc/22/83/72/374228372.db2.gz WVNNLXTXEFOXHK-MRXNPFEDSA-N 1 0 290.386 2.558 50 0 CFAARO CN(Cc1ncc[nH]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000072433464 374254096 /nfs/dbraw/zinc/25/40/96/374254096.db2.gz OEDNPZOSLUQHQB-UHFFFAOYSA-N 1 0 298.434 2.754 50 0 CFAARO O=C(Nc1cc(-c2ccco2)ccc1F)[C@H]1CCC[NH2+]1 ZINC000072500164 374258209 /nfs/dbraw/zinc/25/82/09/374258209.db2.gz YOZLTZCPUHEYRS-GFCCVEGCSA-N 1 0 274.295 2.776 50 0 CFAARO C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000072273296 374239772 /nfs/dbraw/zinc/23/97/72/374239772.db2.gz XDRCHXIBLMXJAU-ILXRZTDVSA-N 1 0 266.429 2.661 50 0 CFAARO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cnn2ccccc12 ZINC000072298381 374242238 /nfs/dbraw/zinc/24/22/38/374242238.db2.gz QQFODWYOVZSXSX-OAHLLOKOSA-N 1 0 295.390 2.718 50 0 CFAARO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000072930121 374304422 /nfs/dbraw/zinc/30/44/22/374304422.db2.gz ONSNTHVGRQFXQP-CABCVRRESA-N 1 0 273.380 2.695 50 0 CFAARO COC(=O)CC1([NH2+]Cc2cccc(C)c2C)CCOCC1 ZINC000075108041 374457859 /nfs/dbraw/zinc/45/78/59/374457859.db2.gz OWAHVLOLJHBBRF-UHFFFAOYSA-N 1 0 291.391 2.505 50 0 CFAARO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1C(F)(F)F ZINC000075110435 374458464 /nfs/dbraw/zinc/45/84/64/374458464.db2.gz AYMORIRDTGNWQU-DGIBIBHMSA-N 1 0 293.354 2.952 50 0 CFAARO CCc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCc3ccccc31)CC2 ZINC000075131386 374460082 /nfs/dbraw/zinc/46/00/82/374460082.db2.gz HGKBPMQDPWFTKB-ZBFHGGJFSA-N 1 0 296.418 2.823 50 0 CFAARO C[C@@H]1COC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000075143568 374460918 /nfs/dbraw/zinc/46/09/18/374460918.db2.gz QPPMCWZMZYMLKI-OAHLLOKOSA-N 1 0 275.392 2.847 50 0 CFAARO C[N@H+](Cc1ccccn1)[C@H](CCO)c1ccccc1 ZINC000075897923 374511099 /nfs/dbraw/zinc/51/10/99/374511099.db2.gz NWVQPJOKTXCWAS-MRXNPFEDSA-N 1 0 256.349 2.637 50 0 CFAARO Cc1nc(C)c(C)c(N(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000077439851 374561646 /nfs/dbraw/zinc/56/16/46/374561646.db2.gz WMVWHXLZLOBPKI-INIZCTEOSA-N 1 0 290.455 2.958 50 0 CFAARO C[C@H]1C[C@@H](NCc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338364 374650957 /nfs/dbraw/zinc/65/09/57/374650957.db2.gz MZSLYYFQKYPXIQ-HOCLYGCPSA-N 1 0 284.407 2.552 50 0 CFAARO Cc1ccsc1C(=O)N1CC([N@H+]2CCCC[C@H]2C)C1 ZINC000082087534 374726773 /nfs/dbraw/zinc/72/67/73/374726773.db2.gz FZECXSKRGCLEBJ-GFCCVEGCSA-N 1 0 278.421 2.755 50 0 CFAARO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000086485800 374804881 /nfs/dbraw/zinc/80/48/81/374804881.db2.gz UOWXWZSHFCAWDR-KGLIPLIRSA-N 1 0 273.442 2.655 50 0 CFAARO CCC1(CNC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000084319867 374774565 /nfs/dbraw/zinc/77/45/65/374774565.db2.gz WWOHWCYDRRBPOU-AWEZNQCLSA-N 1 0 281.444 2.596 50 0 CFAARO C[C@@H]1CCC[C@H](CCN2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000084689596 374787251 /nfs/dbraw/zinc/78/72/51/374787251.db2.gz VZXLVQYOJMTAHK-KURKYZTESA-N 1 0 294.483 2.857 50 0 CFAARO CCn1ccnc1C[NH2+]CCNc1ccc2ccccc2n1 ZINC000089310013 374896215 /nfs/dbraw/zinc/89/62/15/374896215.db2.gz WKMBLAJWWPQMBW-UHFFFAOYSA-N 1 0 295.390 2.653 50 0 CFAARO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCO ZINC000088737850 374860325 /nfs/dbraw/zinc/86/03/25/374860325.db2.gz XDMCTKREUFRIEM-RDJZCZTQSA-N 1 0 290.451 2.505 50 0 CFAARO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccco1 ZINC000089594991 374926194 /nfs/dbraw/zinc/92/61/94/374926194.db2.gz KOHONDCXNJRKJS-HNNXBMFYSA-N 1 0 292.423 2.965 50 0 CFAARO C[C@@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccco1 ZINC000089594993 374926337 /nfs/dbraw/zinc/92/63/37/374926337.db2.gz KOHONDCXNJRKJS-OAHLLOKOSA-N 1 0 292.423 2.965 50 0 CFAARO COc1cccc([C@@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000089702504 374938589 /nfs/dbraw/zinc/93/85/89/374938589.db2.gz NEPIJJHVGQBRNY-CYBMUJFWSA-N 1 0 259.353 2.551 50 0 CFAARO Cc1cn2c(n1)[C@H](C[NH2+]Cc1scnc1C)CCC2 ZINC000089702104 374938843 /nfs/dbraw/zinc/93/88/43/374938843.db2.gz HSMSBKPANSPKRL-LBPRGKRZSA-N 1 0 276.409 2.624 50 0 CFAARO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccn1C ZINC000089756754 374946437 /nfs/dbraw/zinc/94/64/37/374946437.db2.gz FYUAAJLEPHWJRV-HNNXBMFYSA-N 1 0 256.349 2.811 50 0 CFAARO O=C(NC1CCCCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000089818423 374957638 /nfs/dbraw/zinc/95/76/38/374957638.db2.gz RVAVOEFFIPJWSO-UHFFFAOYSA-N 1 0 293.455 2.837 50 0 CFAARO C(C[NH2+]CC1CCCCC1)COC1CCOCC1 ZINC000089818354 374957909 /nfs/dbraw/zinc/95/79/09/374957909.db2.gz PFKRRWVIHOXLEC-UHFFFAOYSA-N 1 0 255.402 2.742 50 0 CFAARO CC(C)NC(=O)C[NH2+][C@@H]1c2ccccc2SC[C@H]1C ZINC000089941388 374973393 /nfs/dbraw/zinc/97/33/93/374973393.db2.gz VPXIGKVRFBZFQH-ABAIWWIYSA-N 1 0 278.421 2.584 50 0 CFAARO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000090086356 374989702 /nfs/dbraw/zinc/98/97/02/374989702.db2.gz QVRUNTMXPHGVPX-STQMWFEESA-N 1 0 293.407 2.906 50 0 CFAARO CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)o1 ZINC000090454983 375015344 /nfs/dbraw/zinc/01/53/44/375015344.db2.gz SVHSJPOYIJAHET-PWSUYJOCSA-N 1 0 259.353 2.773 50 0 CFAARO Cc1ccsc1[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000090517353 375018292 /nfs/dbraw/zinc/01/82/92/375018292.db2.gz RQXJMLJYZDTQFO-XMZIXOGTSA-N 1 0 259.440 2.864 50 0 CFAARO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000092660927 375138037 /nfs/dbraw/zinc/13/80/37/375138037.db2.gz JQAKBPLXMVXSCS-OAHLLOKOSA-N 1 0 271.364 2.625 50 0 CFAARO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000092708664 375141022 /nfs/dbraw/zinc/14/10/22/375141022.db2.gz QSYIKVPMKKAFBC-GFCCVEGCSA-N 1 0 266.410 2.629 50 0 CFAARO COCc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092756586 375150537 /nfs/dbraw/zinc/15/05/37/375150537.db2.gz RFAWXHOQHPYJSC-QGZVFWFLSA-N 1 0 274.408 2.503 50 0 CFAARO C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)C2CCS(=O)CC2)o1 ZINC000093659503 375288240 /nfs/dbraw/zinc/28/82/40/375288240.db2.gz BWHKKVQBIIFZNO-KLSWJBCKSA-N 1 0 281.421 2.746 50 0 CFAARO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)C2CCS(=O)CC2)o1 ZINC000093659501 375289750 /nfs/dbraw/zinc/28/97/50/375289750.db2.gz BWHKKVQBIIFZNO-AKIUGDJFSA-N 1 0 281.421 2.746 50 0 CFAARO CC(C)[N@@H+](Cc1cc(C(N)=O)cs1)C[C@H]1C[C@@H]1C ZINC000093661801 375292214 /nfs/dbraw/zinc/29/22/14/375292214.db2.gz XSTWVHVXNNCXSE-WDEREUQCSA-N 1 0 266.410 2.713 50 0 CFAARO CC(C)(CCCO)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000095459066 375456165 /nfs/dbraw/zinc/45/61/65/375456165.db2.gz FBKXZENBEYWMPR-UHFFFAOYSA-N 1 0 287.407 2.761 50 0 CFAARO CCOCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000095462194 375456819 /nfs/dbraw/zinc/45/68/19/375456819.db2.gz FVKXQNPVCGVIPF-CJNGLKHVSA-N 1 0 279.380 2.717 50 0 CFAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)cc1 ZINC000095464361 375458510 /nfs/dbraw/zinc/45/85/10/375458510.db2.gz INLHTZWBDWPFNT-INIZCTEOSA-N 1 0 271.364 2.766 50 0 CFAARO COCCC[N@H+](C)C[C@H]1CCOc2ccccc2C1 ZINC000095498435 375461491 /nfs/dbraw/zinc/46/14/91/375461491.db2.gz FDXXMTACKXYOAR-AWEZNQCLSA-N 1 0 263.381 2.596 50 0 CFAARO Cc1cnn(-c2ccc(N[C@@H]3C[N@@H+](C)C[C@@H]3C)cc2F)c1 ZINC000095971960 375465079 /nfs/dbraw/zinc/46/50/79/375465079.db2.gz FGGABPFQXWWFAE-SWLSCSKDSA-N 1 0 288.370 2.682 50 0 CFAARO COc1c(Cl)cc(Cl)cc1CNCC[NH+](C)C ZINC000095212884 375415921 /nfs/dbraw/zinc/41/59/21/375415921.db2.gz HQIXAVAXQGGIPG-UHFFFAOYSA-N 1 0 277.195 2.653 50 0 CFAARO Cc1ccc(Cl)cc1NC(=O)C[NH2+]Cc1ccncc1 ZINC000095351427 375417888 /nfs/dbraw/zinc/41/78/88/375417888.db2.gz IBCQWTLKPJZEEP-UHFFFAOYSA-N 1 0 289.766 2.772 50 0 CFAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccc(O)c1)C2 ZINC000095357076 375419410 /nfs/dbraw/zinc/41/94/10/375419410.db2.gz SPPTVNRTVZECRB-JKSUJKDBSA-N 1 0 274.408 2.698 50 0 CFAARO Cc1nc2ccsc2c(N[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000095392203 375429374 /nfs/dbraw/zinc/42/93/74/375429374.db2.gz DKPVMFFICBGLLG-GFCCVEGCSA-N 1 0 274.393 2.506 50 0 CFAARO CCOC[C@H](O)C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000095396841 375430409 /nfs/dbraw/zinc/43/04/09/375430409.db2.gz GJLILDXJUQIMPY-CQSZACIVSA-N 1 0 299.361 2.542 50 0 CFAARO C[N@H+](CCCO)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000095395803 375430557 /nfs/dbraw/zinc/43/05/57/375430557.db2.gz SZCKGDYJBIZFSG-MRXNPFEDSA-N 1 0 274.339 2.624 50 0 CFAARO CCCc1nnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)s1 ZINC000095418473 375439103 /nfs/dbraw/zinc/43/91/03/375439103.db2.gz LRNNHWXCRLQNPP-OLZOCXBDSA-N 1 0 294.468 2.942 50 0 CFAARO C[C@@H]([NH2+]CCCn1cccn1)c1ccc(F)cc1N(C)C ZINC000095419836 375440851 /nfs/dbraw/zinc/44/08/51/375440851.db2.gz OXWLUEZAEXPJDQ-CYBMUJFWSA-N 1 0 290.386 2.829 50 0 CFAARO OCCCSCC[NH2+][C@H]1CCCc2ccccc21 ZINC000095421997 375441327 /nfs/dbraw/zinc/44/13/27/375441327.db2.gz LJSBYRVILVAGGK-HNNXBMFYSA-N 1 0 265.422 2.769 50 0 CFAARO O[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)c1ccsc1 ZINC000095422943 375442896 /nfs/dbraw/zinc/44/28/96/375442896.db2.gz XCMCDJOHDACUJP-CVEARBPZSA-N 1 0 273.401 2.929 50 0 CFAARO COc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000095428240 375443202 /nfs/dbraw/zinc/44/32/02/375443202.db2.gz CGMWEOFMOUMJDL-QGZVFWFLSA-N 1 0 284.359 2.744 50 0 CFAARO Cn1cc(C[N@H+](C)CCc2ccncc2)c(C(F)(F)F)n1 ZINC000095432633 375446875 /nfs/dbraw/zinc/44/68/75/375446875.db2.gz JSKYZTOCVYJDMW-UHFFFAOYSA-N 1 0 298.312 2.508 50 0 CFAARO CC[C@H](C)N(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000095444373 375452097 /nfs/dbraw/zinc/45/20/97/375452097.db2.gz HRFBMPZCSBIENV-JONQDZQNSA-N 1 0 280.456 2.654 50 0 CFAARO OCC[C@@H]([NH2+]Cc1cscn1)C1CCCCC1 ZINC000095448788 375453399 /nfs/dbraw/zinc/45/33/99/375453399.db2.gz UMWYFPMUMAHSPX-CYBMUJFWSA-N 1 0 254.399 2.564 50 0 CFAARO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]Cc1cscn1 ZINC000095448913 375453452 /nfs/dbraw/zinc/45/34/52/375453452.db2.gz OILBUJGMFYPHLY-GXSJLCMTSA-N 1 0 268.407 2.806 50 0 CFAARO Fc1cc(N2CC[C@H]([NH2+]Cc3ncc[nH]3)C2)ccc1Cl ZINC000095448949 375453675 /nfs/dbraw/zinc/45/36/75/375453675.db2.gz WYXBJBZNLVEUPB-JTQLQIEISA-N 1 0 294.761 2.571 50 0 CFAARO CC(C)[C@H](C)[N@H+](Cc1cnc2ncccn12)C1CC1 ZINC000095453804 375455562 /nfs/dbraw/zinc/45/55/62/375455562.db2.gz YFVXAQLOZWCZST-LBPRGKRZSA-N 1 0 258.369 2.738 50 0 CFAARO Cc1n[nH]cc1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000097159208 375531732 /nfs/dbraw/zinc/53/17/32/375531732.db2.gz WZFNHZOKTJFZCV-HNNXBMFYSA-N 1 0 288.395 2.628 50 0 CFAARO Fc1cccc(OCC[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000097203459 375538592 /nfs/dbraw/zinc/53/85/92/375538592.db2.gz CNTOXISAWPQICC-UHFFFAOYSA-N 1 0 289.354 2.807 50 0 CFAARO Cc1ccc(C[N@H+](C[C@H](O)COC(C)C)CC2CC2)o1 ZINC000096212209 375477149 /nfs/dbraw/zinc/47/71/49/375477149.db2.gz NNSTWPCZXAVEIR-HNNXBMFYSA-N 1 0 281.396 2.586 50 0 CFAARO C[C@H](Cc1ccc(F)cc1)[NH2+]CC[S@@](=O)C(C)(C)C ZINC000096477848 375489921 /nfs/dbraw/zinc/48/99/21/375489921.db2.gz FXUMFKAAZVIKCR-BLVKFPJESA-N 1 0 285.428 2.894 50 0 CFAARO COC[C@H](C)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000097045904 375501358 /nfs/dbraw/zinc/50/13/58/375501358.db2.gz CVLIORZSMJPUBU-AWEZNQCLSA-N 1 0 294.464 2.991 50 0 CFAARO COC[C@H](C)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000097045906 375501529 /nfs/dbraw/zinc/50/15/29/375501529.db2.gz VMJZXZHPZNENJZ-ZDUSSCGKSA-N 1 0 294.464 2.991 50 0 CFAARO CCOCC[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000097051128 375504305 /nfs/dbraw/zinc/50/43/05/375504305.db2.gz VXVXFZBXRBBVJJ-UHFFFAOYSA-N 1 0 295.333 2.823 50 0 CFAARO CO[C@@H](CNC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000097082153 375509235 /nfs/dbraw/zinc/50/92/35/375509235.db2.gz JZLKHVBSAGFLMN-KRWDZBQOSA-N 1 0 294.414 2.976 50 0 CFAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(O)c(Cl)c1 ZINC000097236632 375544111 /nfs/dbraw/zinc/54/41/11/375544111.db2.gz CZTAHVCXMJRUNW-LBPRGKRZSA-N 1 0 282.771 2.859 50 0 CFAARO Cn1cc(C[NH2+]Cc2cncs2)c(-c2ccccc2)n1 ZINC000097082708 375510608 /nfs/dbraw/zinc/51/06/08/375510608.db2.gz MWMPFOICUPCJKP-UHFFFAOYSA-N 1 0 284.388 2.833 50 0 CFAARO COc1ccc(CN(C)C2CC[NH2+]CC2)c(Cl)c1OC ZINC000097095576 375515337 /nfs/dbraw/zinc/51/53/37/375515337.db2.gz JHROVHJYHNSXFY-UHFFFAOYSA-N 1 0 298.814 2.541 50 0 CFAARO CC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000097099762 375516953 /nfs/dbraw/zinc/51/69/53/375516953.db2.gz MCIQYWBHPXMVKB-UHFFFAOYSA-N 1 0 268.158 2.777 50 0 CFAARO Cc1ccc2[nH+]ccc(N3CCC[C@@H]3C(=O)NC3CC3)c2c1 ZINC000097104395 375520108 /nfs/dbraw/zinc/52/01/08/375520108.db2.gz LJDFZTSEKOGZKU-QGZVFWFLSA-N 1 0 295.386 2.791 50 0 CFAARO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccccn2)n1 ZINC000097236810 375545057 /nfs/dbraw/zinc/54/50/57/375545057.db2.gz JFROCVSSJOJDLZ-GFCCVEGCSA-N 1 0 257.337 2.684 50 0 CFAARO CCn1cc(C[NH2+]C[C@@](C)(O)c2ccccc2Cl)cn1 ZINC000097142202 375528781 /nfs/dbraw/zinc/52/87/81/375528781.db2.gz RLFJVIKVHKVCPO-OAHLLOKOSA-N 1 0 293.798 2.554 50 0 CFAARO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)[C@H]1CCCO1 ZINC000097373191 375553364 /nfs/dbraw/zinc/55/33/64/375553364.db2.gz HTFLCRREPAIBSW-JGVFFNPUSA-N 1 0 280.315 2.819 50 0 CFAARO [NH3+][C@@H]1CCCN(Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000097413262 375558518 /nfs/dbraw/zinc/55/85/18/375558518.db2.gz JQSDZQHYSMYDAJ-MRXNPFEDSA-N 1 0 288.439 2.838 50 0 CFAARO [NH3+]Cc1cccc(NC(=O)NCCSC(F)(F)F)c1 ZINC000097655390 375575379 /nfs/dbraw/zinc/57/53/79/375575379.db2.gz XWANGWQQNWQQJC-UHFFFAOYSA-N 1 0 293.314 2.520 50 0 CFAARO C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCOC1 ZINC000098060162 375597221 /nfs/dbraw/zinc/59/72/21/375597221.db2.gz OELFFJIHRHPSCM-ZJUUUORDSA-N 1 0 257.736 2.994 50 0 CFAARO COc1ccc2[nH]c(CN3C[C@@H]4CC[C@H]3C[NH2+]C4)c(C)c2c1 ZINC000097694689 375579456 /nfs/dbraw/zinc/57/94/56/375579456.db2.gz FNTMGFWWZZZDQD-KGLIPLIRSA-N 1 0 299.418 2.669 50 0 CFAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCC(F)(F)CC1 ZINC000097756512 375582485 /nfs/dbraw/zinc/58/24/85/375582485.db2.gz ITZIGPONQOWNEQ-UHFFFAOYSA-N 1 0 298.333 2.747 50 0 CFAARO c1ccc(CC[NH+]2CCC(C3CCOCC3)CC2)nc1 ZINC000104314244 375778011 /nfs/dbraw/zinc/77/80/11/375778011.db2.gz VPRCJBCSBOLDME-UHFFFAOYSA-N 1 0 274.408 2.763 50 0 CFAARO CCCn1cc[n+](COCCCc2ccccc2)c1 ZINC000261493006 190039304 /nfs/dbraw/zinc/03/93/04/190039304.db2.gz WNZZSYODESCDID-UHFFFAOYSA-N 1 0 259.373 2.793 50 0 CFAARO C[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)CN1C1CC1 ZINC000131609374 377735483 /nfs/dbraw/zinc/73/54/83/377735483.db2.gz JXPMWCUBTGGWIU-GJZGRUSLSA-N 1 0 280.456 2.941 50 0 CFAARO CNC(=O)CC1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000136205768 378188167 /nfs/dbraw/zinc/18/81/67/378188167.db2.gz PUHNWFUGESTJHG-UHFFFAOYSA-N 1 0 294.826 2.997 50 0 CFAARO Cc1ccc(C[NH+](C)C)cc1NCc1ccc(CO)o1 ZINC000151992045 378382352 /nfs/dbraw/zinc/38/23/52/378382352.db2.gz IBOSICSZWMVPGD-UHFFFAOYSA-N 1 0 274.364 2.754 50 0 CFAARO CC[C@H](O)CC[NH2+]Cc1sccc1Br ZINC000165010360 379030381 /nfs/dbraw/zinc/03/03/81/379030381.db2.gz KXWFVCKEWLLHJS-QMMMGPOBSA-N 1 0 278.215 2.761 50 0 CFAARO c1ccc(-c2nc(-c3ccc(OC4C[NH2+]C4)cc3)no2)cc1 ZINC000169676414 379107066 /nfs/dbraw/zinc/10/70/66/379107066.db2.gz DHRACHVZDSQQOA-UHFFFAOYSA-N 1 0 293.326 2.754 50 0 CFAARO COc1ccc(C[C@@H]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000169676630 379107567 /nfs/dbraw/zinc/10/75/67/379107567.db2.gz FTAUTSHZRABMNC-HNNXBMFYSA-N 1 0 275.392 2.787 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(F)c(F)cc1F ZINC000170082868 379116137 /nfs/dbraw/zinc/11/61/37/379116137.db2.gz DXGBJIOFZCMYDV-OTYXRUKQSA-N 1 0 272.314 2.806 50 0 CFAARO Cc1cc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)on1 ZINC000172257260 379526960 /nfs/dbraw/zinc/52/69/60/379526960.db2.gz RQODTXMHPSKAKO-KRWDZBQOSA-N 1 0 286.375 2.855 50 0 CFAARO Cc1c2cc(Cl)ccc2oc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178549513 380463725 /nfs/dbraw/zinc/46/37/25/380463725.db2.gz GVFBHGQDYQQAFX-JTQLQIEISA-N 1 0 292.766 2.815 50 0 CFAARO Cc1nc(C2CCCC2)sc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178582440 380465872 /nfs/dbraw/zinc/46/58/72/380465872.db2.gz QFBHOHYLXNLKQO-NSHDSACASA-N 1 0 293.436 2.530 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000409420842 380959043 /nfs/dbraw/zinc/95/90/43/380959043.db2.gz NGCAGVWEAQIZTP-MRXNPFEDSA-N 1 0 297.402 2.971 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC000409420938 380959181 /nfs/dbraw/zinc/95/91/81/380959181.db2.gz IAMQDQQTHSFYKI-ZDUSSCGKSA-N 1 0 289.404 2.724 50 0 CFAARO Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000409420904 380959680 /nfs/dbraw/zinc/95/96/80/380959680.db2.gz BKBBFWUFIVTVMM-MRXNPFEDSA-N 1 0 289.423 2.929 50 0 CFAARO Cc1c[nH+]c(C)n1[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000409420846 380959840 /nfs/dbraw/zinc/95/98/40/380959840.db2.gz QBHMGAQZSNODFF-MRXNPFEDSA-N 1 0 283.375 2.896 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCN(C(=O)C(C)C)C1 ZINC000409421007 380960051 /nfs/dbraw/zinc/96/00/51/380960051.db2.gz VZPOLLHRLGZRQH-ZDUSSCGKSA-N 1 0 275.396 2.573 50 0 CFAARO C[C@H]([NH2+]Cc1ccnc(Br)c1)[C@H]1CCCOC1 ZINC000408518053 380935920 /nfs/dbraw/zinc/93/59/20/380935920.db2.gz SMQIGNWGCCKBTG-JQWIXIFHSA-N 1 0 299.212 2.749 50 0 CFAARO c1ccc(OCC[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000368499911 381046549 /nfs/dbraw/zinc/04/65/49/381046549.db2.gz ULADMXXPVHNLKY-INIZCTEOSA-N 1 0 261.365 2.568 50 0 CFAARO CC(C)OCCCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000182460824 381091404 /nfs/dbraw/zinc/09/14/04/381091404.db2.gz WRFRQXLUGSSJQJ-UHFFFAOYSA-N 1 0 296.455 2.669 50 0 CFAARO OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000342040096 381207947 /nfs/dbraw/zinc/20/79/47/381207947.db2.gz BNFHGFXSCTXDDD-KRWDZBQOSA-N 1 0 299.418 2.999 50 0 CFAARO COc1ccccc1[C@]1(CC[NH3+])CCOC(C)(C)C1 ZINC000000244177 169585238 /nfs/dbraw/zinc/58/52/38/169585238.db2.gz XVIFVXYPSCNQJH-MRXNPFEDSA-N 1 0 263.381 2.871 50 0 CFAARO CC(=O)Nc1nc(C[NH2+][C@H](C)C2CCCC2)cs1 ZINC000184645441 381452245 /nfs/dbraw/zinc/45/22/45/381452245.db2.gz XDGPSVFYQTVBRZ-SECBINFHSA-N 1 0 267.398 2.770 50 0 CFAARO OCCC[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1 ZINC000354966161 381540449 /nfs/dbraw/zinc/54/04/49/381540449.db2.gz LZVIXNJPXXBOTC-INIZCTEOSA-N 1 0 290.794 2.991 50 0 CFAARO COc1cc(C[NH+]2CCCCC2)cc(OC)c1OC ZINC000000278973 169595834 /nfs/dbraw/zinc/59/58/34/169595834.db2.gz RNYSKGHCNNNSLC-UHFFFAOYSA-N 1 0 265.353 2.698 50 0 CFAARO COC[C@H](C)[NH2+]Cc1cc(Br)ccc1OC ZINC000000292782 169599337 /nfs/dbraw/zinc/59/93/37/169599337.db2.gz NXIASJWGKWHGDA-VIFPVBQESA-N 1 0 288.185 2.582 50 0 CFAARO Cc1cc(C[NH2+]CCc2nccnc2C)ccc1F ZINC000292878130 381880670 /nfs/dbraw/zinc/88/06/70/381880670.db2.gz BXOAVRFXIDBFSH-UHFFFAOYSA-N 1 0 259.328 2.565 50 0 CFAARO Cc1ccccc1CC1(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000299757658 382042349 /nfs/dbraw/zinc/04/23/49/382042349.db2.gz LXRQTIANLBYIMC-MRXNPFEDSA-N 1 0 286.419 2.671 50 0 CFAARO Cc1nc(CN2CCC[N@@H+](C3CCCCC3)CC2)[nH]c1C ZINC000299777531 382045697 /nfs/dbraw/zinc/04/56/97/382045697.db2.gz QNOQJEALXDDNJU-UHFFFAOYSA-N 1 0 290.455 2.867 50 0 CFAARO CC1(NC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)CCC1 ZINC000299781373 382046837 /nfs/dbraw/zinc/04/68/37/382046837.db2.gz LGOMQZJSIXPOKO-UHFFFAOYSA-N 1 0 296.798 2.740 50 0 CFAARO Cc1ccc(OCC[NH3+])c(C(=O)NCC2=CCCCC2)c1 ZINC000299779817 382047004 /nfs/dbraw/zinc/04/70/04/382047004.db2.gz PROSDCONZOAJSI-UHFFFAOYSA-N 1 0 288.391 2.563 50 0 CFAARO CNC(=O)c1ccc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cc1 ZINC000299773018 382047049 /nfs/dbraw/zinc/04/70/49/382047049.db2.gz BUHVBPILUANGQG-WNKDZCFJSA-N 1 0 284.403 2.524 50 0 CFAARO CN(CC[N@H+](C)C1CCCC1)C[C@H](O)c1ccccc1 ZINC000299786578 382047733 /nfs/dbraw/zinc/04/77/33/382047733.db2.gz VQTCQHDQYSMQJL-KRWDZBQOSA-N 1 0 276.424 2.526 50 0 CFAARO CO[C@]12CC[N@H+](Cc3sccc3C)[C@H]1C[C@@H](O)CC2 ZINC000299800630 382049599 /nfs/dbraw/zinc/04/95/99/382049599.db2.gz HXQPJGZLFUMCHD-AEGPPILISA-N 1 0 281.421 2.561 50 0 CFAARO Cc1nc(CO[C@H]2CCN(c3cc[nH+]c(C)c3)C2)cs1 ZINC000377181056 382232144 /nfs/dbraw/zinc/23/21/44/382232144.db2.gz ZEPCURFHCKSEDU-HNNXBMFYSA-N 1 0 289.404 2.950 50 0 CFAARO CC(C)CC(C)(C)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377848107 382357999 /nfs/dbraw/zinc/35/79/99/382357999.db2.gz UFBZMQDKLZKYHU-OAHLLOKOSA-N 1 0 280.456 2.907 50 0 CFAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCOC1CCCC1 ZINC000352628123 382423665 /nfs/dbraw/zinc/42/36/65/382423665.db2.gz JEVSOFAKCVOXGE-HNNXBMFYSA-N 1 0 296.455 2.716 50 0 CFAARO Fc1ccc(F)c(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188409592 382409667 /nfs/dbraw/zinc/40/96/67/382409667.db2.gz XGOYDKMWKBJYOC-AWEZNQCLSA-N 1 0 277.318 2.826 50 0 CFAARO C/C(=C/C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)c1cccc(F)c1 ZINC000328596480 382551488 /nfs/dbraw/zinc/55/14/88/382551488.db2.gz VFDYUCOHTJIRDZ-XHDTYXFFSA-N 1 0 290.382 2.815 50 0 CFAARO c1ccc(C[C@H]2CC[C@H]([NH2+]Cc3cncnc3)C2)cc1 ZINC000189513972 382618530 /nfs/dbraw/zinc/61/85/30/382618530.db2.gz NBKRKJWEXWJOPV-WBVHZDCISA-N 1 0 267.376 2.978 50 0 CFAARO C[C@@H]1CN(Cc2c(F)cccc2F)CC2(CCOCC2)O1 ZINC000390835786 382619824 /nfs/dbraw/zinc/61/98/24/382619824.db2.gz YJDQCZHMPJSKIO-GFCCVEGCSA-N 1 0 297.345 2.735 50 0 CFAARO CCC1(CC)CCC[N@H+](Cc2nnc(C)n2C)CC1 ZINC000190412838 382666772 /nfs/dbraw/zinc/66/67/72/382666772.db2.gz SGLOWFUMYBFVPA-UHFFFAOYSA-N 1 0 264.417 2.916 50 0 CFAARO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2ccnc(N)c2)cc1 ZINC000193457888 382720012 /nfs/dbraw/zinc/72/00/12/382720012.db2.gz WKVOZTQVSXSPIU-CQSZACIVSA-N 1 0 299.418 2.983 50 0 CFAARO CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NC1CC[NH+](C)CC1 ZINC000195531200 382769223 /nfs/dbraw/zinc/76/92/23/382769223.db2.gz URAQFXRFZPGAHH-BMFZPTHFSA-N 1 0 296.455 2.571 50 0 CFAARO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000195553475 382769618 /nfs/dbraw/zinc/76/96/18/382769618.db2.gz OSZVITADHTWBQW-MRXNPFEDSA-N 1 0 290.382 2.721 50 0 CFAARO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000210619286 382774695 /nfs/dbraw/zinc/77/46/95/382774695.db2.gz NZBRSPLUGIDZTD-PIZKADEWSA-N 1 0 278.783 2.564 50 0 CFAARO CCCn1ccnc1C[N@H+](C)C1CCSCC1 ZINC000215039430 382777683 /nfs/dbraw/zinc/77/76/83/382777683.db2.gz BWAZQISKMDYICF-UHFFFAOYSA-N 1 0 253.415 2.621 50 0 CFAARO Cc1noc(C)c1CN(C)Cc1cc(-c2ccccn2)no1 ZINC000215376988 382778761 /nfs/dbraw/zinc/77/87/61/382778761.db2.gz GCIOBRIIGNMHRJ-UHFFFAOYSA-N 1 0 298.346 2.973 50 0 CFAARO CO[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000215628388 382779744 /nfs/dbraw/zinc/77/97/44/382779744.db2.gz OLYYGMRTIVBEKS-GOSISDBHSA-N 1 0 298.386 2.881 50 0 CFAARO CS[C@@H](C)CC[N@H+](C)CCn1nc(C)cc1C ZINC000215959321 382781136 /nfs/dbraw/zinc/78/11/36/382781136.db2.gz LVJYVQGHHHTPTQ-ZDUSSCGKSA-N 1 0 255.431 2.573 50 0 CFAARO Nc1ncccc1CN1CCc2c(Cl)cccc2C1 ZINC000216188041 382782013 /nfs/dbraw/zinc/78/20/13/382782013.db2.gz JTACHTLYDDEPMP-UHFFFAOYSA-N 1 0 273.767 2.876 50 0 CFAARO C[C@@]1(C(N)=O)CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000216179927 382782142 /nfs/dbraw/zinc/78/21/42/382782142.db2.gz JNFQBCNPRBZVSE-MRXNPFEDSA-N 1 0 288.416 2.989 50 0 CFAARO C[N@H+](CCN1CCCCC1=O)Cc1cccc2cc[nH]c21 ZINC000216289794 382782569 /nfs/dbraw/zinc/78/25/69/382782569.db2.gz AZJADJVSUGHKDN-UHFFFAOYSA-N 1 0 285.391 2.612 50 0 CFAARO O=C(C[C@H]1CC[NH2+]C1)NCc1ccc2sccc2c1 ZINC000216309464 382783092 /nfs/dbraw/zinc/78/30/92/382783092.db2.gz IUYPLZFVHFXWCK-GFCCVEGCSA-N 1 0 274.389 2.517 50 0 CFAARO C[C@H](c1ccon1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000216453451 382783473 /nfs/dbraw/zinc/78/34/73/382783473.db2.gz HIQBNTOCJUDOCK-LLVKDONJSA-N 1 0 274.320 2.639 50 0 CFAARO COC[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000216454199 382783824 /nfs/dbraw/zinc/78/38/24/382783824.db2.gz QEMJGTUHOLEWFK-CYBMUJFWSA-N 1 0 251.395 2.877 50 0 CFAARO CC(=O)N[C@H]1CCC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC000221699366 382799462 /nfs/dbraw/zinc/79/94/62/382799462.db2.gz COQNRXLDRBOVKO-IFCKCIONSA-N 1 0 272.392 2.690 50 0 CFAARO C/C(=C\c1ccc(F)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000221929577 382800388 /nfs/dbraw/zinc/80/03/88/382800388.db2.gz WBIKDVLRWVSMKE-LHWZOMMLSA-N 1 0 288.366 2.628 50 0 CFAARO C[C@@H](Nc1cc(C2CC(O)C2)[nH+]c(N)n1)C1CCCCC1 ZINC000222778241 382803371 /nfs/dbraw/zinc/80/33/71/382803371.db2.gz MLCGHHARYISYHT-QFWMXSHPSA-N 1 0 290.411 2.678 50 0 CFAARO Cc1cc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2)no1 ZINC000229122174 382850607 /nfs/dbraw/zinc/85/06/07/382850607.db2.gz OUMPSPIBDLDRRK-HZPDHXFCSA-N 1 0 272.348 2.854 50 0 CFAARO CCn1nc(C[NH2+][C@@H]2CCSC2)c2ccccc21 ZINC000225360046 382814509 /nfs/dbraw/zinc/81/45/09/382814509.db2.gz WQDLRBRCRCWYDN-LLVKDONJSA-N 1 0 261.394 2.651 50 0 CFAARO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cncn1C ZINC000225386295 382815105 /nfs/dbraw/zinc/81/51/05/382815105.db2.gz DTYUKSLRACUYJT-LLVKDONJSA-N 1 0 259.328 2.899 50 0 CFAARO CCn1ccc(CN(C)Cc2cccc(OC)n2)c1 ZINC000225601491 382818988 /nfs/dbraw/zinc/81/89/88/382818988.db2.gz VMQNRUORVDKKLG-UHFFFAOYSA-N 1 0 259.353 2.544 50 0 CFAARO C(CC1CCCCC1)C[N@@H+]1CCC2(C1)OCCO2 ZINC000225638557 382819514 /nfs/dbraw/zinc/81/95/14/382819514.db2.gz OTOQKIPYSCIPAV-UHFFFAOYSA-N 1 0 253.386 2.796 50 0 CFAARO CN(C)c1nc(C[NH2+][C@@H]2CCCC23CCOCC3)cs1 ZINC000225733344 382821043 /nfs/dbraw/zinc/82/10/43/382821043.db2.gz TWZVWPNFPSBKED-CYBMUJFWSA-N 1 0 295.452 2.648 50 0 CFAARO CS[C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000229405048 382851584 /nfs/dbraw/zinc/85/15/84/382851584.db2.gz ZPBLWIULTWRPQZ-GZBFAFLISA-N 1 0 292.448 2.690 50 0 CFAARO Cc1ccnc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000227115185 382833828 /nfs/dbraw/zinc/83/38/28/382833828.db2.gz JQWKXKGWVNWQGV-HZPDHXFCSA-N 1 0 295.386 2.674 50 0 CFAARO Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000227154539 382834415 /nfs/dbraw/zinc/83/44/15/382834415.db2.gz JRAKQEOYQIUSKM-CVEARBPZSA-N 1 0 295.386 2.674 50 0 CFAARO C[NH+](C)CCNc1cc(Br)cc(F)c1F ZINC000230538005 382861333 /nfs/dbraw/zinc/86/13/33/382861333.db2.gz HETFMODAAQTVGU-UHFFFAOYSA-N 1 0 279.128 2.701 50 0 CFAARO COCCOC1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000093339752 184665867 /nfs/dbraw/zinc/66/58/67/184665867.db2.gz NCSCWAKWDFUJHT-UHFFFAOYSA-N 1 0 269.429 2.940 50 0 CFAARO C[C@H](CC(=O)N1CC[C@H]([NH3+])C[C@@H]1C)Cc1cccc(F)c1 ZINC000237543068 382964216 /nfs/dbraw/zinc/96/42/16/382964216.db2.gz FVACLIGPJJFFEJ-XEZPLFJOSA-N 1 0 292.398 2.733 50 0 CFAARO C/C(=C/C(=O)N(C)C1CC[NH2+]CC1)c1ccccc1Cl ZINC000237094180 382949954 /nfs/dbraw/zinc/94/99/54/382949954.db2.gz CTWNJKMRJOCVHI-QXMHVHEDSA-N 1 0 292.810 2.954 50 0 CFAARO CN(CCc1cccc2ccccc21)C(=O)CCC[NH3+] ZINC000237215239 382952869 /nfs/dbraw/zinc/95/28/69/382952869.db2.gz HZBZEHIKIPKQIC-UHFFFAOYSA-N 1 0 270.376 2.580 50 0 CFAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1ccc(Cl)s1 ZINC000237490566 382961889 /nfs/dbraw/zinc/96/18/89/382961889.db2.gz MGSJXSODLXIENC-UWVGGRQHSA-N 1 0 286.828 2.672 50 0 CFAARO CCCc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000236912708 382930250 /nfs/dbraw/zinc/93/02/50/382930250.db2.gz PVTUXYMOFXMUMZ-SWLSCSKDSA-N 1 0 260.381 2.591 50 0 CFAARO C[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000241383340 382983586 /nfs/dbraw/zinc/98/35/86/382983586.db2.gz MULSOBNOVMDTHF-LMLFDSFASA-N 1 0 263.303 2.875 50 0 CFAARO O[C@@H](CN1CCC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000241588397 382983942 /nfs/dbraw/zinc/98/39/42/382983942.db2.gz PCVVMXQGOFVSSV-HOTGVXAUSA-N 1 0 294.826 2.544 50 0 CFAARO C[C@@H]1CCC[C@H]([NH2+]CCn2cnnc2C2CC2)[C@H]1C ZINC000241515578 382984054 /nfs/dbraw/zinc/98/40/54/382984054.db2.gz OGIFXGZKBALTDY-DYEKYZERSA-N 1 0 262.401 2.570 50 0 CFAARO COC(=O)C1(C[N@H+](Cc2ccccc2OC)C2CC2)CC1 ZINC000242164707 382984863 /nfs/dbraw/zinc/98/48/63/382984863.db2.gz WXEATDKXGZJNHE-UHFFFAOYSA-N 1 0 289.375 2.613 50 0 CFAARO CCC[N@H+](CCO)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244700960 382991628 /nfs/dbraw/zinc/99/16/28/382991628.db2.gz JXGGXMVYDIMXED-UHFFFAOYSA-N 1 0 299.370 2.715 50 0 CFAARO CN(CCC[C@H]1CCCO1)Cc1nccn1C1CC1 ZINC000244796177 382992689 /nfs/dbraw/zinc/99/26/89/382992689.db2.gz RUKFIKZYGHMPIN-AWEZNQCLSA-N 1 0 263.385 2.609 50 0 CFAARO Cc1nc(CC[N@H+](C)CC[C@@H]2CCCCO2)cs1 ZINC000244842366 382993485 /nfs/dbraw/zinc/99/34/85/382993485.db2.gz UPKKWEWZOGKZRU-AWEZNQCLSA-N 1 0 268.426 2.885 50 0 CFAARO Cc1ccn2cc(C[N@@H+](C)C3CCSCC3)nc2c1 ZINC000244884384 382994892 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C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H](c1ccccc1)N(C)C ZINC000585117574 383115342 /nfs/dbraw/zinc/11/53/42/383115342.db2.gz LYWDZPVSJTZQPQ-DNVCBOLYSA-N 1 0 298.430 2.960 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CCc1ccsc1 ZINC000248128599 383212441 /nfs/dbraw/zinc/21/24/41/383212441.db2.gz MNRVFJVIBVDZAI-HUUCEWRRSA-N 1 0 292.448 2.766 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000248127608 383213436 /nfs/dbraw/zinc/21/34/36/383213436.db2.gz MGMSXILYKAOEJK-HUUCEWRRSA-N 1 0 294.345 2.664 50 0 CFAARO CCOC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000247690861 383191545 /nfs/dbraw/zinc/19/15/45/383191545.db2.gz VWUDWBMFYYVTBC-CFVMTHIKSA-N 1 0 281.396 2.758 50 0 CFAARO CC(C)CC[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247210507 383153268 /nfs/dbraw/zinc/15/32/68/383153268.db2.gz LYLHIANYVMSYEX-ZNMIVQPWSA-N 1 0 281.444 2.689 50 0 CFAARO OC[C@@H]([C@@H]([NH2+]Cc1ccccc1F)C1CC1)C1CC1 ZINC000449514794 383349785 /nfs/dbraw/zinc/34/97/85/383349785.db2.gz YXFJSRWUZOLOEK-ZBFHGGJFSA-N 1 0 263.356 2.712 50 0 CFAARO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccnc(-c2ccccc2)n1 ZINC000521395233 383295066 /nfs/dbraw/zinc/29/50/66/383295066.db2.gz FGPGWZMCQZVRNQ-DZGCQCFKSA-N 1 0 282.391 2.672 50 0 CFAARO C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000249038846 383320753 /nfs/dbraw/zinc/32/07/53/383320753.db2.gz UELSXIPAOIMIRN-FMKPAKJESA-N 1 0 263.381 2.574 50 0 CFAARO Cc1nc(-c2ccc([C@H](C)[NH+](C)C)cc2)cc(=O)[nH]1 ZINC000426414716 383398743 /nfs/dbraw/zinc/39/87/43/383398743.db2.gz RBMKQMXCFOGKRV-JTQLQIEISA-N 1 0 257.337 2.780 50 0 CFAARO Cc1nc2c(cnn2C)c(-c2ccc([C@H](C)[NH+](C)C)cc2)n1 ZINC000426533931 383403790 /nfs/dbraw/zinc/40/37/90/383403790.db2.gz DOMCYKMTYBCTHJ-NSHDSACASA-N 1 0 295.390 2.961 50 0 CFAARO COCC[NH2+]CCOc1ccc(C)cc1-c1ccncc1 ZINC000426545220 383405121 /nfs/dbraw/zinc/40/51/21/383405121.db2.gz VQXXOZSVSGDWGS-UHFFFAOYSA-N 1 0 286.375 2.672 50 0 CFAARO Cn1c(SCCCCCF)nnc1[C@H]1CCC[NH2+]C1 ZINC000426627873 383407923 /nfs/dbraw/zinc/40/79/23/383407923.db2.gz XUTMHTUQQPSMOJ-NSHDSACASA-N 1 0 286.420 2.514 50 0 CFAARO CCCC[C@@H](CC)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252445438 383408528 /nfs/dbraw/zinc/40/85/28/383408528.db2.gz CFBUHKAMPDNOQD-KGLIPLIRSA-N 1 0 252.402 2.509 50 0 CFAARO COc1cc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)nc(N)n1 ZINC000426715904 383410531 /nfs/dbraw/zinc/41/05/31/383410531.db2.gz LHRFEDACWGCBSE-LBPRGKRZSA-N 1 0 298.390 2.722 50 0 CFAARO Cc1cnccc1OC1CC[NH+](Cc2cccnc2)CC1 ZINC000252488978 383412978 /nfs/dbraw/zinc/41/29/78/383412978.db2.gz JDEFXWYAGRZYFU-UHFFFAOYSA-N 1 0 283.375 2.828 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(F)cc1 ZINC000249690735 383356009 /nfs/dbraw/zinc/35/60/09/383356009.db2.gz KQYKDJGMALWGDI-JKSUJKDBSA-N 1 0 290.382 2.915 50 0 CFAARO C[C@@H]1CN(C(=O)/C=C\c2ccccc2Cl)C[C@@H](C)[NH2+]1 ZINC000255382990 383481013 /nfs/dbraw/zinc/48/10/13/383481013.db2.gz YEXOGRIHENIDLO-PKJDGDQJSA-N 1 0 278.783 2.562 50 0 CFAARO FC(F)COCC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000253421317 383458050 /nfs/dbraw/zinc/45/80/50/383458050.db2.gz UPVUHFPLUSJKJA-CYBMUJFWSA-N 1 0 295.333 2.565 50 0 CFAARO OC[C@H]([NH2+]CCc1ccccc1)c1cccc(F)c1 ZINC000253426469 383458436 /nfs/dbraw/zinc/45/84/36/383458436.db2.gz QHKVZBIZPIGMAF-INIZCTEOSA-N 1 0 259.324 2.691 50 0 CFAARO CC[N@H+]1C[C@@H](C)N(Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000253427216 383458874 /nfs/dbraw/zinc/45/88/74/383458874.db2.gz DOWHGKVTUDNDCO-OKILXGFUSA-N 1 0 289.423 2.560 50 0 CFAARO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000253422961 383458999 /nfs/dbraw/zinc/45/89/99/383458999.db2.gz MDWVGBYEYFUCGO-SNVBAGLBSA-N 1 0 259.353 2.593 50 0 CFAARO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C1(C[NH3+])CCCC1 ZINC000253433232 383460153 /nfs/dbraw/zinc/46/01/53/383460153.db2.gz UHBUDBQBUUVIQR-ZBFHGGJFSA-N 1 0 286.419 2.910 50 0 CFAARO C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1cn[nH]c1 ZINC000252540408 383417581 /nfs/dbraw/zinc/41/75/81/383417581.db2.gz PJHYIRNUXVYHOX-QWHCGFSZSA-N 1 0 288.370 2.726 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](C)c2ccc(F)cc2)C1 ZINC000252586363 383421139 /nfs/dbraw/zinc/42/11/39/383421139.db2.gz PJWBEXXTLAOJEG-DZGCQCFKSA-N 1 0 292.398 2.729 50 0 CFAARO O=C(c1ccco1)N1CCC[C@@H](C[NH+]2CCCC2)CC1 ZINC000257175421 383489681 /nfs/dbraw/zinc/48/96/81/383489681.db2.gz AWFAWJYBEFNTHE-CQSZACIVSA-N 1 0 276.380 2.618 50 0 CFAARO CC[NH+](CC)[C@@H]1CCOC2(CCN(C(=O)C(C)C)CC2)C1 ZINC000257181112 383491104 /nfs/dbraw/zinc/49/11/04/383491104.db2.gz MJZOIVPSYKOLOE-OAHLLOKOSA-N 1 0 296.455 2.524 50 0 CFAARO [NH3+][C@@H](CC(=O)N(Cc1ccncc1)C1CC1)c1ccccc1 ZINC000261596617 383525625 /nfs/dbraw/zinc/52/56/25/383525625.db2.gz AINXRARPKCXFEO-KRWDZBQOSA-N 1 0 295.386 2.663 50 0 CFAARO CC(C)(C)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000429893475 383576208 /nfs/dbraw/zinc/57/62/08/383576208.db2.gz YLHNJBOWPHNYOF-AVGNSLFASA-N 1 0 252.402 2.541 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000262648567 383633231 /nfs/dbraw/zinc/63/32/31/383633231.db2.gz UAZAJEGNUUXKDT-CAOSSQGBSA-N 1 0 286.419 2.827 50 0 CFAARO O=S1(=O)CCC(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000090882288 285052706 /nfs/dbraw/zinc/05/27/06/285052706.db2.gz DADFAWXYEWKURD-CYBMUJFWSA-N 1 0 299.461 2.540 50 0 CFAARO C[N@H+](CCCOCc1ccccc1)CC1(C)COC1 ZINC000439473668 384035714 /nfs/dbraw/zinc/03/57/14/384035714.db2.gz WIWQAKUFMXGWPC-UHFFFAOYSA-N 1 0 263.381 2.562 50 0 CFAARO C[N@H+](CCOc1cccc(Cl)c1)Cc1cccnc1N ZINC000289340893 197303039 /nfs/dbraw/zinc/30/30/39/197303039.db2.gz LWMFCXPXWCPKDF-UHFFFAOYSA-N 1 0 291.782 2.828 50 0 CFAARO CCc1ccc([C@H](O)C[NH2+]C2CC(OC(C)C)C2)cc1 ZINC000289339590 197303107 /nfs/dbraw/zinc/30/31/07/197303107.db2.gz HRAZIBZXWGKUAL-OFLPRAFFSA-N 1 0 277.408 2.828 50 0 CFAARO COC(=O)c1ccccc1C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280325366 384975458 /nfs/dbraw/zinc/97/54/58/384975458.db2.gz QQKLJGHSTTVVNL-KRWDZBQOSA-N 1 0 291.391 2.864 50 0 CFAARO CCn1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)cn1 ZINC000282491808 385325869 /nfs/dbraw/zinc/32/58/69/385325869.db2.gz WBKYUSFWLGOMHS-UHFFFAOYSA-N 1 0 268.364 2.717 50 0 CFAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2OC)[C@]12CCCO2 ZINC000272650295 385582495 /nfs/dbraw/zinc/58/24/95/385582495.db2.gz FFAGFIKQVJCHLO-GVDBMIGSSA-N 1 0 291.391 2.511 50 0 CFAARO OC1(C[NH2+]Cc2c(Cl)cccc2Cl)CCOCC1 ZINC000112717066 285239023 /nfs/dbraw/zinc/23/90/23/285239023.db2.gz VADVDGVJTMXEBQ-UHFFFAOYSA-N 1 0 290.190 2.625 50 0 CFAARO COc1ccc([C@@H](Cc2ccccc2)[C@H](C[NH3+])CO)cc1 ZINC000524734039 256784456 /nfs/dbraw/zinc/78/44/56/256784456.db2.gz QBOGGFBEPLHVAD-SJLPKXTDSA-N 1 0 285.387 2.589 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000096404196 256791557 /nfs/dbraw/zinc/79/15/57/256791557.db2.gz ZXEOXGDTQPGSPR-QWHCGFSZSA-N 1 0 295.452 2.711 50 0 CFAARO C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@H]1C ZINC000380665780 256848343 /nfs/dbraw/zinc/84/83/43/256848343.db2.gz JCWUWWSTHPFDCC-IPYPFGDCSA-N 1 0 260.381 2.724 50 0 CFAARO CC(C)c1cccc(OCC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000236794939 256852893 /nfs/dbraw/zinc/85/28/93/256852893.db2.gz DNWGXADNNGRNIF-UKRRQHHQSA-N 1 0 290.407 2.527 50 0 CFAARO COCC1(C[NH2+][C@@H](C)CN2CCCCCC2)CCC1 ZINC000824347303 781990763 /nfs/dbraw/zinc/99/07/63/781990763.db2.gz VZXPODQFRSNNSR-HNNXBMFYSA-N 1 0 268.445 2.657 50 0 CFAARO O=C(C1CCCC1)N1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000095423906 184977866 /nfs/dbraw/zinc/97/78/66/184977866.db2.gz JXKLSECECVRPPP-HNNXBMFYSA-N 1 0 276.424 2.556 50 0 CFAARO CC(C)(C)[C@@H]([NH2+]CCN1C(=O)CCC1=O)c1ccccc1 ZINC000095431557 184981367 /nfs/dbraw/zinc/98/13/67/184981367.db2.gz HBQHGBIUDZMEFM-INIZCTEOSA-N 1 0 288.391 2.512 50 0 CFAARO CSCC[C@H](C)[N@H+](C)Cc1cn2c(n1)nc(C)cc2C ZINC000095432013 184981523 /nfs/dbraw/zinc/98/15/23/184981523.db2.gz UXISVVSMIPJWBI-LBPRGKRZSA-N 1 0 292.452 2.920 50 0 CFAARO c1cc2nc(-c3ccccc3)cc(N[C@H]3CCC[NH2+]C3)n2n1 ZINC000072469142 285463031 /nfs/dbraw/zinc/46/30/31/285463031.db2.gz BMHLCRKOCLEQKW-AWEZNQCLSA-N 1 0 293.374 2.560 50 0 CFAARO C[C@H](O)C[NH2+]CCOc1ccc(Cl)cc1C(C)(C)C ZINC000002881559 393455368 /nfs/dbraw/zinc/45/53/68/393455368.db2.gz IAMNAJVHDISXTM-NSHDSACASA-N 1 0 285.815 2.987 50 0 CFAARO Clc1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000006725779 393464171 /nfs/dbraw/zinc/46/41/71/393464171.db2.gz OYENTFXVZINGGF-UHFFFAOYSA-N 1 0 267.756 2.679 50 0 CFAARO COc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489642 393473162 /nfs/dbraw/zinc/47/31/62/393473162.db2.gz DAGGEUHIWOTDNG-GZBFAFLISA-N 1 0 292.423 2.522 50 0 CFAARO COc1cccc2ccc(N(C)C[C@@H]3CCC[N@@H+]3C)nc21 ZINC000824804972 781996683 /nfs/dbraw/zinc/99/66/83/781996683.db2.gz JBJSDRMETPIHPC-AWEZNQCLSA-N 1 0 285.391 2.774 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000046344832 393578340 /nfs/dbraw/zinc/57/83/40/393578340.db2.gz LJEUSUPNPMLNNP-KRWDZBQOSA-N 1 0 285.387 2.867 50 0 CFAARO Fc1cc(C[NH2+]CCc2nccs2)cc(F)c1F ZINC000062815780 393628786 /nfs/dbraw/zinc/62/87/86/393628786.db2.gz DXXBDVVGXAZWFG-UHFFFAOYSA-N 1 0 272.295 2.893 50 0 CFAARO Cc1cc2c(c(-c3ncccc3C)c1)O[C@H](C[NH3+])C2 ZINC000067641483 393634629 /nfs/dbraw/zinc/63/46/29/393634629.db2.gz QUSJDHZSYBSNAV-ZDUSSCGKSA-N 1 0 254.333 2.628 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)[C@H](C)n2cccn2)o1 ZINC000069372233 393636804 /nfs/dbraw/zinc/63/68/04/393636804.db2.gz KZRZXZAYBXCIGL-STQMWFEESA-N 1 0 299.378 2.914 50 0 CFAARO Cc1cc(N(C)C)nc(N2CCC[C@H]2c2cccnc2)[nH+]1 ZINC000072237811 393650597 /nfs/dbraw/zinc/65/05/97/393650597.db2.gz HGLUDKJSVPJOOJ-AWEZNQCLSA-N 1 0 283.379 2.588 50 0 CFAARO [NH3+][C@@H]1CCN(Cc2ccc(C3CCCC3)s2)C1 ZINC000216082133 393755323 /nfs/dbraw/zinc/75/53/23/393755323.db2.gz IUTVTSJOFXNLBZ-GFCCVEGCSA-N 1 0 250.411 2.939 50 0 CFAARO COCC[N@H+](C)Cc1ccc([C@H]2CCCCO2)o1 ZINC000218954238 393759211 /nfs/dbraw/zinc/75/92/11/393759211.db2.gz BYVJBNKSTZSUHF-CYBMUJFWSA-N 1 0 253.342 2.599 50 0 CFAARO CC[C@H](O)c1cc2n(n1)CCC[N@H+](CCC=C(C)C)C2 ZINC000218923956 393759221 /nfs/dbraw/zinc/75/92/21/393759221.db2.gz IKTHTOYLDVPXKN-INIZCTEOSA-N 1 0 277.412 2.889 50 0 CFAARO CC(C)C[NH+]1CCN(C(=O)c2cccc3cc[nH]c32)CC1 ZINC000088732913 393764524 /nfs/dbraw/zinc/76/45/24/393764524.db2.gz NZAAGHZRRFKCOW-UHFFFAOYSA-N 1 0 285.391 2.582 50 0 CFAARO COc1ccc2oc([C@H](C)NC(=O)C(C)(C)[NH3+])c(C)c2c1 ZINC000237342944 393792351 /nfs/dbraw/zinc/79/23/51/393792351.db2.gz NBBOVOXHTKANAE-JTQLQIEISA-N 1 0 290.363 2.664 50 0 CFAARO COc1cc(C)c(CN2CCC[C@@H]([NH+](C)C)C2)cc1OC ZINC000092938637 393792602 /nfs/dbraw/zinc/79/26/02/393792602.db2.gz PGAHHGHIPVYCEW-OAHLLOKOSA-N 1 0 292.423 2.538 50 0 CFAARO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cnn(C(C)(C)C)c1 ZINC000093322566 393797164 /nfs/dbraw/zinc/79/71/64/393797164.db2.gz XZSCDPMBMFSXDX-HUUCEWRRSA-N 1 0 279.428 2.764 50 0 CFAARO c1ncc(C[N@H+](Cc2ccccc2)CC2CCOCC2)[nH]1 ZINC000093342114 393797228 /nfs/dbraw/zinc/79/72/28/393797228.db2.gz YSUAUTWWKNZQHK-UHFFFAOYSA-N 1 0 285.391 2.839 50 0 CFAARO CC(C)[C@@H](CO)[N@H+](Cc1ccno1)Cc1ccccc1 ZINC000096424417 393829820 /nfs/dbraw/zinc/82/98/20/393829820.db2.gz VNBIIYQPRLVNJC-MRXNPFEDSA-N 1 0 274.364 2.694 50 0 CFAARO Cc1cn2c(n1)CC[C@H](NC(=O)c1cc3ccccc3o1)C2 ZINC000097198437 393841138 /nfs/dbraw/zinc/84/11/38/393841138.db2.gz DAGUVKIOKWDGFS-ZDUSSCGKSA-N 1 0 295.342 2.683 50 0 CFAARO CC(C)OC(=O)CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125537855 394009230 /nfs/dbraw/zinc/00/92/30/394009230.db2.gz HXVDMPFLQQVXAF-AWEZNQCLSA-N 1 0 262.353 2.560 50 0 CFAARO Cc1ccc(/C=C\C(=O)N2CCC(C[NH3+])CC2)cc1Cl ZINC000493329011 394212588 /nfs/dbraw/zinc/21/25/88/394212588.db2.gz BPPFPFLTFBWCSP-PLNGDYQASA-N 1 0 292.810 2.859 50 0 CFAARO COc1cc([C@H](C)[NH2+]CC2(C)OCCO2)ccc1SC ZINC000170062801 394371333 /nfs/dbraw/zinc/37/13/33/394371333.db2.gz JFDLHWWUMCOPIK-NSHDSACASA-N 1 0 297.420 2.831 50 0 CFAARO c1cncc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000521396498 394381074 /nfs/dbraw/zinc/38/10/74/394381074.db2.gz JQTMDROTTACXDK-INIZCTEOSA-N 1 0 253.349 2.856 50 0 CFAARO [NH3+]C[C@@H]1CCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000426359643 397573490 /nfs/dbraw/zinc/57/34/90/397573490.db2.gz OYIJVTWKBPOEKC-JTQLQIEISA-N 1 0 263.772 2.602 50 0 CFAARO Cc1c2cccc(Cl)c2[nH]c1CN1CC[C@H]([NH3+])C1 ZINC000426381819 397573658 /nfs/dbraw/zinc/57/36/58/397573658.db2.gz WADDTEGBAFNZMJ-JTQLQIEISA-N 1 0 263.772 2.663 50 0 CFAARO NC(=[NH2+])SCc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000102416562 397594260 /nfs/dbraw/zinc/59/42/60/397594260.db2.gz QBEJZGZTUYHIMJ-UHFFFAOYSA-N 1 0 293.373 2.665 50 0 CFAARO COc1ccccc1/C=C\C[NH2+]CCn1cc(C)cn1 ZINC000104061843 397595646 /nfs/dbraw/zinc/59/56/46/397595646.db2.gz JLBCNUYHYZGFON-ALCCZGGFSA-N 1 0 271.364 2.503 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccncc2)[C@H](CC)C1 ZINC000107323661 397597201 /nfs/dbraw/zinc/59/72/01/397597201.db2.gz WIZYPXPECTUFTH-FMKPAKJESA-N 1 0 289.423 2.769 50 0 CFAARO Cc1ccc(NCCC[NH2+]C2CSCCSC2)nc1 ZINC000825195245 782005421 /nfs/dbraw/zinc/00/54/21/782005421.db2.gz GJQJETIJTULNTO-UHFFFAOYSA-N 1 0 297.493 2.630 50 0 CFAARO Cc1cccc(OC2C[NH+](CC3(C)CCOCC3)C2)c1 ZINC000825222690 782006799 /nfs/dbraw/zinc/00/67/99/782006799.db2.gz TYSNWXFZYITMRQ-UHFFFAOYSA-N 1 0 275.392 2.875 50 0 CFAARO CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000374753947 157154971 /nfs/dbraw/zinc/15/49/71/157154971.db2.gz VDHPVMGGUPLIBT-ZALBZXLWSA-N 1 0 290.382 2.719 50 0 CFAARO C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(F)F)[C@@H]1c1ccccc1 ZINC000350670894 163097774 /nfs/dbraw/zinc/09/77/74/163097774.db2.gz UZODWFXRQJPZBJ-OLZOCXBDSA-N 1 0 296.361 2.839 50 0 CFAARO C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(F)F)[C@H]1c1ccccc1 ZINC000350670896 163097972 /nfs/dbraw/zinc/09/79/72/163097972.db2.gz UZODWFXRQJPZBJ-QWHCGFSZSA-N 1 0 296.361 2.839 50 0 CFAARO CC1(C)OCC[C@@H]1[NH2+]CCc1noc2ccccc21 ZINC000653724248 413468840 /nfs/dbraw/zinc/46/88/40/413468840.db2.gz NRABPLPKJYDSKQ-AWEZNQCLSA-N 1 0 260.337 2.527 50 0 CFAARO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000003310766 169877285 /nfs/dbraw/zinc/87/72/85/169877285.db2.gz DKEMWFYEBAUWLY-WFASDCNBSA-N 1 0 278.371 2.610 50 0 CFAARO CC1CCC([NH2+]CCNC(=O)c2cccs2)CC1 ZINC000004498177 169973172 /nfs/dbraw/zinc/97/31/72/169973172.db2.gz UCGUNGQSCFCLRE-UHFFFAOYSA-N 1 0 266.410 2.646 50 0 CFAARO O=C(c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000004744055 170009421 /nfs/dbraw/zinc/00/94/21/170009421.db2.gz VEYYKFOUBYKZLS-UHFFFAOYSA-N 1 0 272.392 2.777 50 0 CFAARO C[C@H](C[NH+]1CCCCC1)OC(=O)c1cccc(F)c1 ZINC000004804208 170020017 /nfs/dbraw/zinc/02/00/17/170020017.db2.gz HFPPAMJHFMDHBC-GFCCVEGCSA-N 1 0 265.328 2.857 50 0 CFAARO CCOc1cc(Cl)c(C[NH2+]CCCO)cc1OCC ZINC000004857055 170031508 /nfs/dbraw/zinc/03/15/08/170031508.db2.gz DECTWLKVVBAWEN-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO CC[NH+](CC)CCOc1ccc(CCC(C)=O)cc1 ZINC000004870110 170034998 /nfs/dbraw/zinc/03/49/98/170034998.db2.gz CQVYBVIIRIVRDI-UHFFFAOYSA-N 1 0 263.381 2.929 50 0 CFAARO COc1cc(NC(=O)[C@@H]2CCC[NH2+]2)cc2ccccc21 ZINC000004899509 170038095 /nfs/dbraw/zinc/03/80/95/170038095.db2.gz MOERTZHMSVIRNL-AWEZNQCLSA-N 1 0 270.332 2.539 50 0 CFAARO COc1ccc(C[N@@H+]2CCCC[C@H]2CO)c(C)c1C ZINC000004951321 170044854 /nfs/dbraw/zinc/04/48/54/170044854.db2.gz UEPBGBFQLXGEFW-HNNXBMFYSA-N 1 0 263.381 2.659 50 0 CFAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000004990136 170050869 /nfs/dbraw/zinc/05/08/69/170050869.db2.gz KQXOXXXVFSNDET-ZDUSSCGKSA-N 1 0 286.375 2.943 50 0 CFAARO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]Cc3cccnc3)cc2c1 ZINC000004993347 170051073 /nfs/dbraw/zinc/05/10/73/170051073.db2.gz IPDKXQAMMQOZEC-UHFFFAOYSA-N 1 0 293.370 2.830 50 0 CFAARO Cc1ccc2cc(C[NH2+]Cc3cccnc3)c(=O)[nH]c2c1 ZINC000004993344 170051085 /nfs/dbraw/zinc/05/10/85/170051085.db2.gz QFLXFWAAEGFBSR-UHFFFAOYSA-N 1 0 279.343 2.521 50 0 CFAARO CCC(CC)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000004997182 170052175 /nfs/dbraw/zinc/05/21/75/170052175.db2.gz NKDYKBBPOOZLGL-UHFFFAOYSA-N 1 0 267.369 2.991 50 0 CFAARO CCOc1ccc(C[NH2+]Cc2ccccn2)cc1OC ZINC000004998081 170052426 /nfs/dbraw/zinc/05/24/26/170052426.db2.gz IZQSYSYYJRQQHM-UHFFFAOYSA-N 1 0 272.348 2.779 50 0 CFAARO Fc1ccc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000004999749 170052567 /nfs/dbraw/zinc/05/25/67/170052567.db2.gz XEFVYQYOAPFZRO-UHFFFAOYSA-N 1 0 273.307 2.887 50 0 CFAARO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000005023119 170057188 /nfs/dbraw/zinc/05/71/88/170057188.db2.gz CFMUYKXNSHGRPL-KBPBESRZSA-N 1 0 260.381 2.993 50 0 CFAARO C[NH+]1CCC(NC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000005041441 170059759 /nfs/dbraw/zinc/05/97/59/170059759.db2.gz FOEFUADOPACJMA-UHFFFAOYSA-N 1 0 285.750 2.695 50 0 CFAARO Cc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1Cl ZINC000005041822 170059940 /nfs/dbraw/zinc/05/99/40/170059940.db2.gz QTOULFRJFLKHNX-UHFFFAOYSA-N 1 0 281.787 2.864 50 0 CFAARO CC[NH+](CC)CCNC(=O)Nc1c[nH]c2ccccc12 ZINC000005299862 170084591 /nfs/dbraw/zinc/08/45/91/170084591.db2.gz CAIRTLGEYXWXDV-UHFFFAOYSA-N 1 0 274.368 2.631 50 0 CFAARO CC[NH+](CC)CCNc1ncnc2c3ccccc3n(C)c21 ZINC000005516422 170107190 /nfs/dbraw/zinc/10/71/90/170107190.db2.gz DMACRWMQFLXWFV-UHFFFAOYSA-N 1 0 297.406 2.875 50 0 CFAARO COc1ccc(C[C@H]([NH3+])Cc2ccccc2)cc1OC ZINC000005558906 170113254 /nfs/dbraw/zinc/11/32/54/170113254.db2.gz SWZAGONAANKISE-OAHLLOKOSA-N 1 0 271.360 2.816 50 0 CFAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1ccccn1 ZINC000005590121 170116729 /nfs/dbraw/zinc/11/67/29/170116729.db2.gz DPKPMCBKYQFKCM-UHFFFAOYSA-N 1 0 251.333 2.895 50 0 CFAARO CC[NH+](CC)CCNc1cc(-c2ccccc2)ncn1 ZINC000005643866 170123420 /nfs/dbraw/zinc/12/34/20/170123420.db2.gz GTSAJVWWMDPLCS-UHFFFAOYSA-N 1 0 270.380 2.897 50 0 CFAARO [NH3+][C@@H](Cc1ccccc1)C(=O)Sc1ccccc1 ZINC000005683393 170128552 /nfs/dbraw/zinc/12/85/52/170128552.db2.gz ISNZQDRWGVKGKX-AWEZNQCLSA-N 1 0 257.358 2.875 50 0 CFAARO O=C(NCCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000005771678 170139340 /nfs/dbraw/zinc/13/93/40/170139340.db2.gz OUXRNVPGAPSRNP-UHFFFAOYSA-N 1 0 280.799 2.946 50 0 CFAARO CCc1ccc(C(=O)NC2CC[NH+](CC)CC2)s1 ZINC000005961916 170162777 /nfs/dbraw/zinc/16/27/77/170162777.db2.gz ATSWXCVFBDIYLG-UHFFFAOYSA-N 1 0 266.410 2.525 50 0 CFAARO CCOC(=O)C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000005967387 170163191 /nfs/dbraw/zinc/16/31/91/170163191.db2.gz PFUUDRIERFHNOV-TWGQIWQCSA-N 1 0 273.376 2.975 50 0 CFAARO CCOCC[N@@H+]1CC[C@H](OC(=O)c2ccccc2)[C@H](C)C1 ZINC000006387210 170197321 /nfs/dbraw/zinc/19/73/21/170197321.db2.gz WMAVWZGHPBTWHI-ZBFHGGJFSA-N 1 0 291.391 2.590 50 0 CFAARO CCCOc1ccc(C(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000006636266 170220960 /nfs/dbraw/zinc/22/09/60/170220960.db2.gz ZXLBTFCVDIQYRJ-UHFFFAOYSA-N 1 0 290.407 2.690 50 0 CFAARO CC1(C)CC(OC(=O)c2ccc(N)cc2)CC(C)(C)[NH2+]1 ZINC000006658023 170222785 /nfs/dbraw/zinc/22/27/85/170222785.db2.gz DEDIMYAPCFFQIW-UHFFFAOYSA-N 1 0 276.380 2.735 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000006726241 170233275 /nfs/dbraw/zinc/23/32/75/170233275.db2.gz NZRVZIYOUIHPTE-UHFFFAOYSA-N 1 0 261.369 2.681 50 0 CFAARO O=C(C1CC1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006729268 170234274 /nfs/dbraw/zinc/23/42/74/170234274.db2.gz OHCBZSMYXAQUPA-UHFFFAOYSA-N 1 0 288.435 2.509 50 0 CFAARO O=C(Nc1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000006729712 170234801 /nfs/dbraw/zinc/23/48/01/170234801.db2.gz OXTGGOXNRTXHHY-UHFFFAOYSA-N 1 0 291.370 2.918 50 0 CFAARO COc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000006992414 170260985 /nfs/dbraw/zinc/26/09/85/170260985.db2.gz SWYLOUGXYKJZKV-UHFFFAOYSA-N 1 0 298.386 2.687 50 0 CFAARO Cc1ccc2nc(C[N@H+](C)Cc3ccccc3)cc(=O)n2c1 ZINC000007380586 170280839 /nfs/dbraw/zinc/28/08/39/170280839.db2.gz JZPHHNFGNIECBW-UHFFFAOYSA-N 1 0 293.370 2.635 50 0 CFAARO COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000007384186 170281886 /nfs/dbraw/zinc/28/18/86/170281886.db2.gz FSQPZQITBAXHQI-STQMWFEESA-N 1 0 276.380 2.754 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000008130533 170320049 /nfs/dbraw/zinc/32/00/49/170320049.db2.gz TUCGIYQBXJDEEF-UHFFFAOYSA-N 1 0 280.799 2.944 50 0 CFAARO CC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1 ZINC000008227125 170325759 /nfs/dbraw/zinc/32/57/59/170325759.db2.gz RVOGRBUXNDBNAU-UHFFFAOYSA-N 1 0 288.185 2.966 50 0 CFAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)NCc1ccccc1 ZINC000008267561 170327961 /nfs/dbraw/zinc/32/79/61/170327961.db2.gz BYKVMQDUMHOPGC-IAGOWNOFSA-N 1 0 286.419 2.815 50 0 CFAARO CCOc1ccc(Cl)cc1CNCCC[NH+](C)C ZINC000008324505 170331129 /nfs/dbraw/zinc/33/11/29/170331129.db2.gz RQZPDGHVAWMMJD-UHFFFAOYSA-N 1 0 270.804 2.780 50 0 CFAARO CC1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000008750583 170354255 /nfs/dbraw/zinc/35/42/55/170354255.db2.gz ZDEKAXKRPUFNIW-UHFFFAOYSA-N 1 0 263.381 2.814 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000008937822 170359246 /nfs/dbraw/zinc/35/92/46/170359246.db2.gz IFDBAHCVECWPDA-VMPITWQZSA-N 1 0 290.382 2.828 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000009113755 170364006 /nfs/dbraw/zinc/36/40/06/170364006.db2.gz NGWVMWWOWSYZOA-UHFFFAOYSA-N 1 0 297.349 2.959 50 0 CFAARO COc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000009764275 170385691 /nfs/dbraw/zinc/38/56/91/170385691.db2.gz XMINUIDWVAVVHB-OAHLLOKOSA-N 1 0 293.407 2.699 50 0 CFAARO Cc1cc(Br)ccc1NC[C@H]1CCC[NH2+]1 ZINC000012404754 170485507 /nfs/dbraw/zinc/48/55/07/170485507.db2.gz GNVQSAGZPLQDNV-LLVKDONJSA-N 1 0 269.186 2.921 50 0 CFAARO CC(C)[NH+]1CCC(NC(=O)Cc2ccccc2Cl)CC1 ZINC000012900560 170518298 /nfs/dbraw/zinc/51/82/98/170518298.db2.gz GNDITGQCQIAAAE-UHFFFAOYSA-N 1 0 294.826 2.872 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1cccc(F)c1)c1ccsc1 ZINC000013011169 170528130 /nfs/dbraw/zinc/52/81/30/170528130.db2.gz JGAGMGXPIXNDFN-CQSZACIVSA-N 1 0 292.379 2.920 50 0 CFAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccccc2F)C1 ZINC000016286685 170692584 /nfs/dbraw/zinc/69/25/84/170692584.db2.gz YFSDLIXTIDZVDO-MGPQQGTHSA-N 1 0 281.371 2.543 50 0 CFAARO c1ccc2c(c1)CCc1ccccc1C2N1CC[NH2+]CC1 ZINC000019850547 170897368 /nfs/dbraw/zinc/89/73/68/170897368.db2.gz MDBCLUYDTRHKCA-UHFFFAOYSA-N 1 0 278.399 2.780 50 0 CFAARO Cc1ccc(C(C)C)cc1OCCCN1CC[NH2+]CC1 ZINC000019973763 170957154 /nfs/dbraw/zinc/95/71/54/170957154.db2.gz XHPPEXOESZIXIK-UHFFFAOYSA-N 1 0 276.424 2.793 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccncc1 ZINC000020140037 171027198 /nfs/dbraw/zinc/02/71/98/171027198.db2.gz RADMTVAQVFSCFL-CYBMUJFWSA-N 1 0 256.349 2.898 50 0 CFAARO C[C@H]1C[NH+](CCCOc2ccccc2F)C[C@H](C)O1 ZINC000020168075 171040768 /nfs/dbraw/zinc/04/07/68/171040768.db2.gz NHJGDYFTOHMSNE-STQMWFEESA-N 1 0 267.344 2.704 50 0 CFAARO CCOc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000020176348 171042409 /nfs/dbraw/zinc/04/24/09/171042409.db2.gz PZYGNSJAETUHOC-UHFFFAOYSA-N 1 0 290.407 2.688 50 0 CFAARO CC[C@H](CO)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000020195941 171061017 /nfs/dbraw/zinc/06/10/17/171061017.db2.gz ZQQASDGMVDMSDO-OAHLLOKOSA-N 1 0 265.397 2.972 50 0 CFAARO CCc1cc(OCCCN2CC[NH2+]CC2)ccc1Cl ZINC000020272379 171127303 /nfs/dbraw/zinc/12/73/03/171127303.db2.gz DOSSDNICSSVTQI-UHFFFAOYSA-N 1 0 282.815 2.577 50 0 CFAARO CN(CC[NH+](C)C)c1ncc(C(F)(F)F)cc1Cl ZINC000020366441 171165418 /nfs/dbraw/zinc/16/54/18/171165418.db2.gz OPCBTPGETBQAAV-UHFFFAOYSA-N 1 0 281.709 2.752 50 0 CFAARO COc1cccc([C@H]([NH3+])c2cc(F)ccc2OC)c1 ZINC000020470514 171212416 /nfs/dbraw/zinc/21/24/16/171212416.db2.gz NNHAEUSIHKMPTF-HNNXBMFYSA-N 1 0 261.296 2.891 50 0 CFAARO CCOc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1Cl ZINC000020477529 171220783 /nfs/dbraw/zinc/22/07/83/171220783.db2.gz BOFIPTWLHOJEFT-HNNXBMFYSA-N 1 0 294.826 2.923 50 0 CFAARO C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000020478367 171221346 /nfs/dbraw/zinc/22/13/46/171221346.db2.gz BVJNCPUXLNWSNM-UHFFFAOYSA-N 1 0 287.190 2.771 50 0 CFAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ncc[nH]2)C1 ZINC000020534124 171240640 /nfs/dbraw/zinc/24/06/40/171240640.db2.gz XEEAHHONRAKSOO-KRWDZBQOSA-N 1 0 298.434 2.549 50 0 CFAARO CC(C)Oc1ccc(OCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000020652549 171268750 /nfs/dbraw/zinc/26/87/50/171268750.db2.gz XMYVFSCCOWFUCW-GJZGRUSLSA-N 1 0 293.407 2.962 50 0 CFAARO CCCCOc1ccccc1OCCN1CCOCC1 ZINC000020639640 171268855 /nfs/dbraw/zinc/26/88/55/171268855.db2.gz LTOVXCWKFJKSME-UHFFFAOYSA-N 1 0 279.380 2.577 50 0 CFAARO CCCCOc1ccccc1OCCCN1CCOCC1 ZINC000020653324 171268890 /nfs/dbraw/zinc/26/88/90/171268890.db2.gz JHTWLDDPYXIKBJ-UHFFFAOYSA-N 1 0 293.407 2.967 50 0 CFAARO CCC(=O)c1ccccc1OCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020639286 171268908 /nfs/dbraw/zinc/26/89/08/171268908.db2.gz YYHPOBZNOJGLHZ-KBPBESRZSA-N 1 0 291.391 2.767 50 0 CFAARO CN1CC[NH+](CCCCOc2ccc3c(c2)CCC3)CC1 ZINC000020653143 171269178 /nfs/dbraw/zinc/26/91/78/171269178.db2.gz CLNJHBKKHZTXKJ-UHFFFAOYSA-N 1 0 288.435 2.582 50 0 CFAARO c1cc(-c2ccc(OCC[NH+]3CCCC3)cc2)n[nH]1 ZINC000020854889 171276049 /nfs/dbraw/zinc/27/60/49/171276049.db2.gz CMJUSWBWAKNHIK-UHFFFAOYSA-N 1 0 257.337 2.551 50 0 CFAARO COCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928503 171280467 /nfs/dbraw/zinc/28/04/67/171280467.db2.gz SHNSMVUCVPYBGO-UHFFFAOYSA-N 1 0 264.152 2.738 50 0 CFAARO CCn1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000020935037 171281291 /nfs/dbraw/zinc/28/12/91/171281291.db2.gz ABUQWPVFECLGNI-AWEZNQCLSA-N 1 0 258.365 2.930 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1CCCCC1)c1ccc(F)cc1F ZINC000020939193 171281416 /nfs/dbraw/zinc/28/14/16/171281416.db2.gz VFCYJPZELNIZTE-LLVKDONJSA-N 1 0 282.334 2.628 50 0 CFAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccnc1 ZINC000021960817 171342717 /nfs/dbraw/zinc/34/27/17/171342717.db2.gz ZZZMLQYQKWEJNJ-UHFFFAOYSA-N 1 0 297.402 2.853 50 0 CFAARO C[C@H]1C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000021962402 171343142 /nfs/dbraw/zinc/34/31/42/171343142.db2.gz HJTYVCUEBHPCTL-XJKSGUPXSA-N 1 0 272.392 2.555 50 0 CFAARO C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000021962387 171343227 /nfs/dbraw/zinc/34/32/27/171343227.db2.gz HJTYVCUEBHPCTL-CJNGLKHVSA-N 1 0 272.392 2.555 50 0 CFAARO C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1Cc1c(F)cccc1F ZINC000022078391 171352602 /nfs/dbraw/zinc/35/26/02/171352602.db2.gz UNZAXWODHKWUBV-ABAIWWIYSA-N 1 0 266.335 2.633 50 0 CFAARO CN1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000022385626 171385897 /nfs/dbraw/zinc/38/58/97/171385897.db2.gz UMAVHQYYCPAJTL-UHFFFAOYSA-N 1 0 284.403 2.856 50 0 CFAARO CC(C)Oc1ccccc1C[NH2+]CCCCCO ZINC000026482991 171487032 /nfs/dbraw/zinc/48/70/32/171487032.db2.gz AIMMXTWUCBPULE-UHFFFAOYSA-N 1 0 251.370 2.726 50 0 CFAARO CC[NH+](CC)CCCNC(=O)c1ccc2ncsc2c1 ZINC000033028300 171768945 /nfs/dbraw/zinc/76/89/45/171768945.db2.gz MTLSIWITFYTJKD-UHFFFAOYSA-N 1 0 291.420 2.758 50 0 CFAARO COc1cccc2cc(C[NH2+][C@@H](C)Cn3ccnc3)oc21 ZINC000035275281 172095077 /nfs/dbraw/zinc/09/50/77/172095077.db2.gz YPVZVSRXCBDCCW-LBPRGKRZSA-N 1 0 285.347 2.816 50 0 CFAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc2cccnc21 ZINC000035274762 172095394 /nfs/dbraw/zinc/09/53/94/172095394.db2.gz NMIOPNIRYHEBMW-ZDUSSCGKSA-N 1 0 266.348 2.610 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc2c(c1)OCO2 ZINC000035686561 172354609 /nfs/dbraw/zinc/35/46/09/172354609.db2.gz XKFKRJTVXUWDTN-CQSZACIVSA-N 1 0 290.407 2.769 50 0 CFAARO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1cccs1 ZINC000035736796 172389977 /nfs/dbraw/zinc/38/99/77/172389977.db2.gz SFEHPRJRTRTMBM-FZMZJTMJSA-N 1 0 286.400 2.640 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccccn2)o1 ZINC000037201262 173025551 /nfs/dbraw/zinc/02/55/51/173025551.db2.gz AEUNBWFYXRUTNU-UHFFFAOYSA-N 1 0 282.347 2.705 50 0 CFAARO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)C(C)(C)C(F)F ZINC000657929450 414059845 /nfs/dbraw/zinc/05/98/45/414059845.db2.gz ZAGCOKVRVJHIPZ-SCZZXKLOSA-N 1 0 257.328 2.536 50 0 CFAARO CCC[C@@](C)([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766385 173695206 /nfs/dbraw/zinc/69/52/06/173695206.db2.gz ZPDUEDLWFJRVAU-MRXNPFEDSA-N 1 0 275.396 2.743 50 0 CFAARO CN(C[C@@H]1CCc2ccccc21)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659384409 414514158 /nfs/dbraw/zinc/51/41/58/414514158.db2.gz LDWQPNCBCWNJII-HNNXBMFYSA-N 1 0 298.430 2.836 50 0 CFAARO CC[NH+](CC)[C@@H](CNC(=O)C(C)C)c1ccccc1 ZINC000039975656 174180026 /nfs/dbraw/zinc/18/00/26/174180026.db2.gz BLSORVNEJJXBGW-HNNXBMFYSA-N 1 0 262.397 2.842 50 0 CFAARO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000040007880 174182683 /nfs/dbraw/zinc/18/26/83/174182683.db2.gz SFGVXXIRTPCRIM-MELADBBJSA-N 1 0 252.402 2.508 50 0 CFAARO CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040025529 174183619 /nfs/dbraw/zinc/18/36/19/174183619.db2.gz MXGQWJRJHUNGTL-HNNXBMFYSA-N 1 0 274.408 2.813 50 0 CFAARO CC1(C)CC(NCc2cscn2)CC(C)(C)[NH2+]1 ZINC000040420116 174257486 /nfs/dbraw/zinc/25/74/86/174257486.db2.gz JMWHEPWOWFFEBO-UHFFFAOYSA-N 1 0 253.415 2.542 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)c1cc(Cl)ccc1F ZINC000040422572 174258553 /nfs/dbraw/zinc/25/85/53/174258553.db2.gz NYANLTMVRHKUEL-UHFFFAOYSA-N 1 0 284.762 2.695 50 0 CFAARO C[NH+](C)CCSc1nnc(C2CCCCC2)o1 ZINC000040456939 174267682 /nfs/dbraw/zinc/26/76/82/174267682.db2.gz OQIPFYHGYXQHPP-UHFFFAOYSA-N 1 0 255.387 2.771 50 0 CFAARO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000040468378 174276993 /nfs/dbraw/zinc/27/69/93/174276993.db2.gz MEOHIDVLNYPLIV-OLZOCXBDSA-N 1 0 292.423 2.957 50 0 CFAARO CC(C)CO[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040520874 174309606 /nfs/dbraw/zinc/30/96/06/174309606.db2.gz MABZHSKZPRCYRE-QWHCGFSZSA-N 1 0 298.452 2.528 50 0 CFAARO CCCOc1c(C[NH2+]CCCO)cc(Cl)cc1OC ZINC000040743721 174391084 /nfs/dbraw/zinc/39/10/84/174391084.db2.gz FBZRXALSPDIUMI-UHFFFAOYSA-N 1 0 287.787 2.609 50 0 CFAARO COc1cccc(OC)c1C[NH2+]C[C@H]1CCSC1 ZINC000286213225 196529721 /nfs/dbraw/zinc/52/97/21/196529721.db2.gz YKPLFBDRODXGKR-LLVKDONJSA-N 1 0 267.394 2.547 50 0 CFAARO CC(C)c1nc(CC(=O)NCC(C)(C)C[NH+](C)C)cs1 ZINC000042817451 174886067 /nfs/dbraw/zinc/88/60/67/174886067.db2.gz OXQWCAMLALRYDK-UHFFFAOYSA-N 1 0 297.468 2.513 50 0 CFAARO COCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000043268764 174996167 /nfs/dbraw/zinc/99/61/67/174996167.db2.gz RHLWFOTVFQDJDF-UHFFFAOYSA-N 1 0 276.380 2.503 50 0 CFAARO Brc1ccccc1-c1noc([C@@H]2CCC[NH2+]2)n1 ZINC000043560578 175066628 /nfs/dbraw/zinc/06/66/28/175066628.db2.gz CWQGBRIQRGZEKN-JTQLQIEISA-N 1 0 294.152 2.924 50 0 CFAARO [NH3+]CC1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000044512651 175188272 /nfs/dbraw/zinc/18/82/72/175188272.db2.gz LJANSZRBZRHMRD-UHFFFAOYSA-N 1 0 268.360 2.651 50 0 CFAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CC1)OCCO2 ZINC000044648910 175223685 /nfs/dbraw/zinc/22/36/85/175223685.db2.gz HSQKSANKNIBGKJ-LBPRGKRZSA-N 1 0 265.328 2.726 50 0 CFAARO CCCOC[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000044653452 175225264 /nfs/dbraw/zinc/22/52/64/175225264.db2.gz TYAGNABDBKRSQX-GFCCVEGCSA-N 1 0 272.186 2.746 50 0 CFAARO C[C@H](C(N)=O)[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000046054967 175391151 /nfs/dbraw/zinc/39/11/51/175391151.db2.gz MRDZRNNDCOVKEW-DYVFJYSZSA-N 1 0 280.371 2.508 50 0 CFAARO c1cnn(-c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2)c1 ZINC000046092223 175392849 /nfs/dbraw/zinc/39/28/49/175392849.db2.gz ZTVZWOKALKAOAL-INIZCTEOSA-N 1 0 297.402 2.873 50 0 CFAARO c1cnn(-c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)c1 ZINC000046092224 175393026 /nfs/dbraw/zinc/39/30/26/175393026.db2.gz ZTVZWOKALKAOAL-MRXNPFEDSA-N 1 0 297.402 2.873 50 0 CFAARO C[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCC1)[NH+](C)C ZINC000046272123 175395090 /nfs/dbraw/zinc/39/50/90/175395090.db2.gz VNQGEEYVJLCOLJ-GFCCVEGCSA-N 1 0 294.826 2.828 50 0 CFAARO OC1CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000046502823 175397637 /nfs/dbraw/zinc/39/76/37/175397637.db2.gz CQUQQFIQFGOZSN-UHFFFAOYSA-N 1 0 276.767 2.845 50 0 CFAARO CCOc1cc(C[N@H+](C)CCOC)ccc1OC(F)F ZINC000046777435 175399081 /nfs/dbraw/zinc/39/90/81/175399081.db2.gz MRTNVJNWTQVDKU-UHFFFAOYSA-N 1 0 289.322 2.765 50 0 CFAARO CCSCCNC(=O)CC[NH+]1CCCCCCC1 ZINC000055252438 175574599 /nfs/dbraw/zinc/57/45/99/175574599.db2.gz QVHQMVBEWDSMJG-UHFFFAOYSA-N 1 0 272.458 2.512 50 0 CFAARO c1nn(Cc2ccccc2)cc1C[NH2+]C1CCSCC1 ZINC000065385726 175726140 /nfs/dbraw/zinc/72/61/40/175726140.db2.gz LBBNUGHICMRPRI-UHFFFAOYSA-N 1 0 287.432 2.917 50 0 CFAARO C[N@@H+]1CCC[C@@H](CCNC(=O)CCC2CCCC2)C1 ZINC000067714276 175786748 /nfs/dbraw/zinc/78/67/48/175786748.db2.gz SMDDTRWOKWYCCO-HNNXBMFYSA-N 1 0 266.429 2.805 50 0 CFAARO COc1ccccc1/C=C/C[NH2+][C@H](C)Cn1cc(C)cn1 ZINC000069490182 175834335 /nfs/dbraw/zinc/83/43/35/175834335.db2.gz SZQIADGPOCEHNR-PMGBHYCQSA-N 1 0 285.391 2.892 50 0 CFAARO C[C@@H]1CN(Cc2c(F)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000070075382 175870578 /nfs/dbraw/zinc/87/05/78/175870578.db2.gz LJKDJJPLFGISBB-AOOOYVTPSA-N 1 0 256.752 2.661 50 0 CFAARO [NH3+]C[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 ZINC000070434928 175929285 /nfs/dbraw/zinc/92/92/85/175929285.db2.gz JKHPXMVPJWQYGK-OAHLLOKOSA-N 1 0 252.317 2.805 50 0 CFAARO Cc1ccc([C@@H]2C[C@@H]2C(=O)NCC(C)(C)[NH+](C)C)s1 ZINC000071186371 176060217 /nfs/dbraw/zinc/06/02/17/176060217.db2.gz FEDUINDZNUEXEU-NEPJUHHUSA-N 1 0 280.437 2.616 50 0 CFAARO c1nncn1-c1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071405711 176155994 /nfs/dbraw/zinc/15/59/94/176155994.db2.gz FQCHAIOPZNGHIH-UHFFFAOYSA-N 1 0 276.343 2.580 50 0 CFAARO C[N@H+](CC(=O)Nc1cccc(F)c1)C1CCCC1 ZINC000071813506 176268932 /nfs/dbraw/zinc/26/89/32/176268932.db2.gz DPBYQAZKBDBBFL-UHFFFAOYSA-N 1 0 250.317 2.639 50 0 CFAARO Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3C(C)C)nc12 ZINC000071828284 176272382 /nfs/dbraw/zinc/27/23/82/176272382.db2.gz OPKZJJFJMNBAPI-HNNXBMFYSA-N 1 0 285.391 2.623 50 0 CFAARO Cc1noc(C(C)C)c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000071846611 176276004 /nfs/dbraw/zinc/27/60/04/176276004.db2.gz DLXTZLOBAJWJKU-ZDUSSCGKSA-N 1 0 295.427 2.813 50 0 CFAARO CC[C@H](C)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000071919812 176299768 /nfs/dbraw/zinc/29/97/68/176299768.db2.gz SNVIQEZPEVIMIF-ZNMIVQPWSA-N 1 0 283.460 2.842 50 0 CFAARO Fc1ccc(OC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000072147354 176325526 /nfs/dbraw/zinc/32/55/26/176325526.db2.gz RHPYPUQCIVHQQU-ZDUSSCGKSA-N 1 0 279.355 2.705 50 0 CFAARO c1cnn(-c2cccc(C[NH+]3CC(c4ccncc4)C3)c2)c1 ZINC000072159006 176329087 /nfs/dbraw/zinc/32/90/87/176329087.db2.gz LWDIHJMOODHLLL-UHFFFAOYSA-N 1 0 290.370 2.867 50 0 CFAARO C[NH+](C)[C@@H]1CCCN(Cc2ccc(O)cc2Cl)CC1 ZINC000072157595 176329490 /nfs/dbraw/zinc/32/94/90/176329490.db2.gz QXMCFGNUEZHBMN-CYBMUJFWSA-N 1 0 282.815 2.962 50 0 CFAARO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000072161465 176329878 /nfs/dbraw/zinc/32/98/78/176329878.db2.gz MWRCWHYZEZDASI-LBPRGKRZSA-N 1 0 297.349 2.913 50 0 CFAARO COc1ccccc1OC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000072171679 176333303 /nfs/dbraw/zinc/33/33/03/176333303.db2.gz NPPZQOLYJDIJKQ-CQSZACIVSA-N 1 0 291.391 2.575 50 0 CFAARO CC[NH+]1CCC(CCNC(=O)c2ccccc2OC)CC1 ZINC000072297556 176363980 /nfs/dbraw/zinc/36/39/80/176363980.db2.gz FYFONNLCKIMRNX-UHFFFAOYSA-N 1 0 290.407 2.547 50 0 CFAARO CC[C@H](CO)N1CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC000072304953 176366091 /nfs/dbraw/zinc/36/60/91/176366091.db2.gz UMWPNUHHAFMJTM-SJORKVTESA-N 1 0 276.424 2.526 50 0 CFAARO Clc1ccc(-c2noc(CC3CC[NH2+]CC3)n2)cc1 ZINC000072328576 176369677 /nfs/dbraw/zinc/36/96/77/176369677.db2.gz JUCPFHFMNBKZAZ-UHFFFAOYSA-N 1 0 277.755 2.932 50 0 CFAARO CC[NH+]1CCN(Cc2ccc(CCC(C)(C)O)cc2)CC1 ZINC000072408249 176398030 /nfs/dbraw/zinc/39/80/30/176398030.db2.gz FGXIZBGSEZHAFZ-UHFFFAOYSA-N 1 0 290.451 2.528 50 0 CFAARO Cc1cc2nc(C)cc(NCCNc3cc[nH+]cc3C)n2n1 ZINC000072410361 176398331 /nfs/dbraw/zinc/39/83/31/176398331.db2.gz VYBMLGJYNLVHII-UHFFFAOYSA-N 1 0 296.378 2.574 50 0 CFAARO FC(F)c1cc([C@H]2C[NH2+]C[C@@H]2c2ccccc2)[nH]n1 ZINC000077010740 177146357 /nfs/dbraw/zinc/14/63/57/177146357.db2.gz SMJGPBCAXUSGBL-MNOVXSKESA-N 1 0 263.291 2.818 50 0 CFAARO CC[C@@H]1CN(C(=O)c2ccc(O)c(C)c2)CC[N@@H+]1C(C)C ZINC000077287991 177249445 /nfs/dbraw/zinc/24/94/45/177249445.db2.gz XUYGVPKRDOUXAF-OAHLLOKOSA-N 1 0 290.407 2.645 50 0 CFAARO Cn1ccc2c1nccc2-c1ccc(C[NH+](C)C)cn1 ZINC000077321654 177252261 /nfs/dbraw/zinc/25/22/61/177252261.db2.gz VBOVJIKIAJPJMR-UHFFFAOYSA-N 1 0 266.348 2.697 50 0 CFAARO CC(C)c1nc(C[N@H+](C)C[C@H]2CCOC2)cs1 ZINC000077340245 177254196 /nfs/dbraw/zinc/25/41/96/177254196.db2.gz NMJMCXJXMCLJKR-LLVKDONJSA-N 1 0 254.399 2.735 50 0 CFAARO COc1ccc(C[NH2+][C@H](C)c2c(C)nn(C)c2C)cc1O ZINC000078553218 177353605 /nfs/dbraw/zinc/35/36/05/177353605.db2.gz OOHSGMJZMOJINS-SNVBAGLBSA-N 1 0 289.379 2.602 50 0 CFAARO Cc1ccccc1C1(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000299739048 292626892 /nfs/dbraw/zinc/62/68/92/292626892.db2.gz JVIXCXOHFIKRBR-GJZGRUSLSA-N 1 0 286.419 2.612 50 0 CFAARO Fc1cnccc1NCC1CC[NH+](C2CCCC2)CC1 ZINC000826629777 782025965 /nfs/dbraw/zinc/02/59/65/782025965.db2.gz IUUMCEFEJGWBQZ-UHFFFAOYSA-N 1 0 277.387 2.709 50 0 CFAARO OCc1ccc(OCCCC[NH+]2CCCCC2)cc1 ZINC000016489069 260099083 /nfs/dbraw/zinc/09/90/83/260099083.db2.gz IEUWZVFRRHVYGI-UHFFFAOYSA-N 1 0 263.381 2.824 50 0 CFAARO O=C(Nc1ccc(-n2ccnc2)cc1)c1ccco1 ZINC000029951587 260139604 /nfs/dbraw/zinc/13/96/04/260139604.db2.gz WNVPTVYWXSPSCV-UHFFFAOYSA-N 1 0 253.261 2.718 50 0 CFAARO CC[N@@H+](Cc1ccno1)C[C@@H](O)c1ccc(C)cc1 ZINC000072828557 260164255 /nfs/dbraw/zinc/16/42/55/260164255.db2.gz ODWLUECRUDWJBZ-OAHLLOKOSA-N 1 0 260.337 2.539 50 0 CFAARO Cc1cc(CN2CCC[C@H]2c2c(C)nn(C)c2C)no1 ZINC000075132283 260165867 /nfs/dbraw/zinc/16/58/67/260165867.db2.gz KTJNIGHEJCXKCO-AWEZNQCLSA-N 1 0 274.368 2.670 50 0 CFAARO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C)ccc1F ZINC000040099195 273641164 /nfs/dbraw/zinc/64/11/64/273641164.db2.gz BRBWVPHTUVASDA-GFCCVEGCSA-N 1 0 281.375 2.986 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc3cccc(Cl)c3o2)C1 ZINC000299740306 273968452 /nfs/dbraw/zinc/96/84/52/273968452.db2.gz YGCMQZYLYWLDJB-SNVBAGLBSA-N 1 0 292.766 2.768 50 0 CFAARO COc1ccc2c(C)cc(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)nc2c1 ZINC000095353144 274120803 /nfs/dbraw/zinc/12/08/03/274120803.db2.gz NYOGUFSRGNDEDJ-CVEARBPZSA-N 1 0 297.402 2.725 50 0 CFAARO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC000229405684 274277199 /nfs/dbraw/zinc/27/71/99/274277199.db2.gz SKEQQMGQGOCORZ-GOEBONIOSA-N 1 0 295.386 2.647 50 0 CFAARO C[C@@H]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)c2ccccc21 ZINC000241816031 274299581 /nfs/dbraw/zinc/29/95/81/274299581.db2.gz SEYNXLNEMBNXNQ-AGIUHOORSA-N 1 0 258.365 2.654 50 0 CFAARO c1cc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2s1 ZINC000222684465 275066220 /nfs/dbraw/zinc/06/62/20/275066220.db2.gz YZXNKGLPNWHMAO-JQWIXIFHSA-N 1 0 274.393 2.730 50 0 CFAARO Brc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000014631715 275370190 /nfs/dbraw/zinc/37/01/90/275370190.db2.gz OWGPKBGDUAIXRS-LLVKDONJSA-N 1 0 256.143 2.580 50 0 CFAARO Brc1cccc2c3c([nH]c21)CC[NH2+]C3 ZINC000031775794 275375199 /nfs/dbraw/zinc/37/51/99/275375199.db2.gz CVPTVXYOVFWZJZ-UHFFFAOYSA-N 1 0 251.127 2.576 50 0 CFAARO CC(C)[C@H]([NH2+]Cc1nnc2n1CCCCC2)C1CC1 ZINC000095419398 275705403 /nfs/dbraw/zinc/70/54/03/275705403.db2.gz URZJLYGHZSHMBG-HNNXBMFYSA-N 1 0 262.401 2.529 50 0 CFAARO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCSC2)cc1 ZINC000096452775 275793451 /nfs/dbraw/zinc/79/34/51/275793451.db2.gz LKVADKTUTFZSME-AWEZNQCLSA-N 1 0 264.394 2.630 50 0 CFAARO CCC[N@@H+]1CCCN(C(=O)c2c(C)noc2C(C)C)CC1 ZINC000071853903 276005850 /nfs/dbraw/zinc/00/58/50/276005850.db2.gz DVZZHFOLUAIJAH-UHFFFAOYSA-N 1 0 293.411 2.664 50 0 CFAARO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC1(C)C ZINC000346324696 276124440 /nfs/dbraw/zinc/12/44/40/276124440.db2.gz AQGAEUPVWKBRQY-AWEZNQCLSA-N 1 0 266.429 2.757 50 0 CFAARO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC2)CC1 ZINC000367427279 276152812 /nfs/dbraw/zinc/15/28/12/276152812.db2.gz XVMNICZVGWKCFK-CQSZACIVSA-N 1 0 264.413 2.654 50 0 CFAARO CCCc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000003683897 276295758 /nfs/dbraw/zinc/29/57/58/276295758.db2.gz OSMSNAJZFCSFBF-MRXNPFEDSA-N 1 0 277.408 2.865 50 0 CFAARO COC(=O)C1CCC([NH2+][C@H]2CC[C@H](C)CC2)CC1 ZINC000249008474 277052401 /nfs/dbraw/zinc/05/24/01/277052401.db2.gz JFETYGQBCSSWTI-DUPPUEJBSA-N 1 0 253.386 2.887 50 0 CFAARO C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC000071884699 277073987 /nfs/dbraw/zinc/07/39/87/277073987.db2.gz RGBQDYQEZUMJJX-RRFJBIMHSA-N 1 0 292.810 2.654 50 0 CFAARO COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](C[NH3+])C2 ZINC000299788569 277165016 /nfs/dbraw/zinc/16/50/16/277165016.db2.gz RFAYQDAXOXCWMT-CYBMUJFWSA-N 1 0 297.354 2.711 50 0 CFAARO C[NH2+]C1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000037240597 277263367 /nfs/dbraw/zinc/26/33/67/277263367.db2.gz IPYGSAWSDUYGCL-UHFFFAOYSA-N 1 0 258.287 2.894 50 0 CFAARO COc1cc2c(cc1OC)[C@@H](c1cccc(O)c1)[NH2+]CC2 ZINC000019703129 277394566 /nfs/dbraw/zinc/39/45/66/277394566.db2.gz HUSVDZILYMCMGA-QGZVFWFLSA-N 1 0 285.343 2.645 50 0 CFAARO COc1cccc(CN(C)CC[NH+]2CCC(C)CC2)c1 ZINC000079094816 277453624 /nfs/dbraw/zinc/45/36/24/277453624.db2.gz YYCDIXGLOIDMHV-UHFFFAOYSA-N 1 0 276.424 2.859 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1 ZINC000000089360 278020659 /nfs/dbraw/zinc/02/06/59/278020659.db2.gz YXWSSJFORTVBKI-SFHVURJKSA-N 1 0 299.370 2.948 50 0 CFAARO CC(C)c1ccc([C@H]2CCCN2C(=O)[C@@H](C)[NH3+])cc1 ZINC000158053908 278050295 /nfs/dbraw/zinc/05/02/95/278050295.db2.gz LABHOCUJCIAKKI-IUODEOHRSA-N 1 0 260.381 2.821 50 0 CFAARO CSCc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000237384903 278140344 /nfs/dbraw/zinc/14/03/44/278140344.db2.gz LLDPZNNMCWFVLO-AWEZNQCLSA-N 1 0 278.421 2.503 50 0 CFAARO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CCCCC1 ZINC000106135875 278266716 /nfs/dbraw/zinc/26/67/16/278266716.db2.gz NWQOBGHKWLWLEL-KFWWJZLASA-N 1 0 295.471 2.985 50 0 CFAARO C[C@H]([NH2+][C@H](Cn1cncn1)c1ccccc1)C1CCC1 ZINC000095421762 278279740 /nfs/dbraw/zinc/27/97/40/278279740.db2.gz GDHIIVVULNEBAX-XJKSGUPXSA-N 1 0 270.380 2.798 50 0 CFAARO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc2c(c1)CCC2 ZINC000095419449 278344832 /nfs/dbraw/zinc/34/48/32/278344832.db2.gz NYJCMTSURFVHRB-CQSZACIVSA-N 1 0 286.419 2.838 50 0 CFAARO C[C@@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccncc1 ZINC000095402197 278351434 /nfs/dbraw/zinc/35/14/34/278351434.db2.gz QYZKOFZIFYOHEM-OCCSQVGLSA-N 1 0 256.353 2.506 50 0 CFAARO CC1CCC([NH2+]Cc2cccnc2N2CCOCC2)CC1 ZINC000069560908 278525056 /nfs/dbraw/zinc/52/50/56/278525056.db2.gz ZTBFBZQVHYPDEG-UHFFFAOYSA-N 1 0 289.423 2.587 50 0 CFAARO Cc1[nH+]c2ccc(F)cc2c(N2CC[C@H](O)C2)c1C ZINC000097144780 279124606 /nfs/dbraw/zinc/12/46/06/279124606.db2.gz OYHBBOKMUUCIEW-LBPRGKRZSA-N 1 0 260.312 2.562 50 0 CFAARO C[C@H](C(N)=O)[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000065625751 279240654 /nfs/dbraw/zinc/24/06/54/279240654.db2.gz DENPVIYKFHYJRR-CYBMUJFWSA-N 1 0 268.360 2.659 50 0 CFAARO Cc1[nH]c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2c1C ZINC000035132782 280183761 /nfs/dbraw/zinc/18/37/61/280183761.db2.gz TYESMGBZHGQCIO-UHFFFAOYSA-N 1 0 285.391 2.562 50 0 CFAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)sc2cccc(F)c12 ZINC000237764518 280209069 /nfs/dbraw/zinc/20/90/69/280209069.db2.gz UYHZJNOESJKLLQ-SECBINFHSA-N 1 0 278.352 2.522 50 0 CFAARO Cc1c(C[NH2+][C@H]2CSCCc3ccccc32)cnn1C ZINC000090888202 280227761 /nfs/dbraw/zinc/22/77/61/280227761.db2.gz XDSWPXGFRUMBGJ-INIZCTEOSA-N 1 0 287.432 2.849 50 0 CFAARO Cc1cc(=O)c2ccccc2n1C[C@H]1CCC[N@@H+](C)C1 ZINC000095375880 280303454 /nfs/dbraw/zinc/30/34/54/280303454.db2.gz POBBLMCKHYOUPP-AWEZNQCLSA-N 1 0 270.376 2.652 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000095423899 280579102 /nfs/dbraw/zinc/57/91/02/280579102.db2.gz UYQRWCDWGNMKLE-HIFRSBDPSA-N 1 0 288.391 2.501 50 0 CFAARO COCCC1(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000151190136 280800950 /nfs/dbraw/zinc/80/09/50/280800950.db2.gz VYCCLYPINWVCOX-UHFFFAOYSA-N 1 0 289.379 2.884 50 0 CFAARO Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000015020639 281002061 /nfs/dbraw/zinc/00/20/61/281002061.db2.gz RLAPHVKVTWWOCS-KGLIPLIRSA-N 1 0 276.380 2.657 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000255031273 281084543 /nfs/dbraw/zinc/08/45/43/281084543.db2.gz RQTMUHSBHRTIBI-BVUBYJHWSA-N 1 0 292.810 2.939 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)C1 ZINC000255166655 281089672 /nfs/dbraw/zinc/08/96/72/281089672.db2.gz HWGKIKMLLYADQV-DMTLFAOVSA-N 1 0 298.308 2.668 50 0 CFAARO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCn1cccn1)CO2 ZINC000097049777 281121562 /nfs/dbraw/zinc/12/15/62/281121562.db2.gz XDGYZBGJADNJDY-DZGCQCFKSA-N 1 0 271.364 2.693 50 0 CFAARO Cc1ccccc1[C@H]1CC[N@H+](CCNc2ccncn2)C1 ZINC000091745996 281391997 /nfs/dbraw/zinc/39/19/97/281391997.db2.gz IIBFEKKRCMHWKH-HNNXBMFYSA-N 1 0 282.391 2.686 50 0 CFAARO C[C@H](CC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[S@](C)=O ZINC000225615499 289491609 /nfs/dbraw/zinc/49/16/09/289491609.db2.gz MGQMONDQBXSRLZ-CKPCYDFHSA-N 1 0 285.375 2.854 50 0 CFAARO C[C@H]([NH2+][C@H]1CCCOc2c3ccccc3ccc21)C(N)=O ZINC000097085773 290046981 /nfs/dbraw/zinc/04/69/81/290046981.db2.gz CSFFGUAMSVUWRA-NHYWBVRUSA-N 1 0 284.359 2.517 50 0 CFAARO COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1 ZINC000000000853 295322765 /nfs/dbraw/zinc/32/27/65/295322765.db2.gz TVYLLZQTGLZFBW-ZBFHGGJFSA-N 1 0 263.381 2.635 50 0 fda CFAARO [NH3+][C@H]1CCCCC[C@@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000094754050 295332898 /nfs/dbraw/zinc/33/28/98/295332898.db2.gz IZWBBRWUXJWPBI-GJZGRUSLSA-N 1 0 264.413 2.543 50 0 CFAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@](C)([NH3+])C2CC2)C1 ZINC000237544669 302167265 /nfs/dbraw/zinc/16/72/65/302167265.db2.gz NOQLSNKRQQMYNW-IYOUNJFTSA-N 1 0 286.419 2.827 50 0 CFAARO FC(F)(F)c1ccc(C2(N3CC[NH2+]CC3)CC2)cc1 ZINC000051943582 303118461 /nfs/dbraw/zinc/11/84/61/303118461.db2.gz MYDZDXCWWDGWOQ-UHFFFAOYSA-N 1 0 270.298 2.600 50 0 CFAARO [NH3+][C@@H]1CC[C@H](C(=O)NC2(c3ccc(Cl)cc3)CCC2)C1 ZINC000152761813 303473175 /nfs/dbraw/zinc/47/31/75/303473175.db2.gz CCFXIAGTKYXMFX-SMDDNHRTSA-N 1 0 292.810 2.963 50 0 CFAARO C[C@H](NC(=O)C[N@H+](C)C1CCCC1)C1=CCCCC1 ZINC000827989717 782064470 /nfs/dbraw/zinc/06/44/70/782064470.db2.gz ZHIJNPPCMLEVMH-ZDUSSCGKSA-N 1 0 264.413 2.866 50 0 CFAARO Cc1oncc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000828205351 782081645 /nfs/dbraw/zinc/08/16/45/782081645.db2.gz CEUPXRITOGNBAJ-UHFFFAOYSA-N 1 0 285.347 2.831 50 0 CFAARO CCC[C@H](CNC(=O)c1sccc1Cl)[NH+](C)C ZINC000534574514 328309428 /nfs/dbraw/zinc/30/94/28/328309428.db2.gz BVMYREIBDYAVPT-SECBINFHSA-N 1 0 274.817 2.862 50 0 CFAARO C[C@@H](C(=O)NC1(c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000534655198 328339415 /nfs/dbraw/zinc/33/94/15/328339415.db2.gz NEOBMIAJSXYGKZ-LBPRGKRZSA-N 1 0 292.810 2.930 50 0 CFAARO Fc1ccc(F)c(C2([NH2+][C@@H]3CCCOC3)CC2)c1 ZINC000534655252 328339524 /nfs/dbraw/zinc/33/95/24/328339524.db2.gz WDUYGOIUZCIGAU-LLVKDONJSA-N 1 0 253.292 2.723 50 0 CFAARO Cc1cccc(CC2(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000534667847 328346171 /nfs/dbraw/zinc/34/61/71/328346171.db2.gz NXKCYAQAMPORBU-MRXNPFEDSA-N 1 0 286.419 2.671 50 0 CFAARO O=C1CC[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC000534670140 328347071 /nfs/dbraw/zinc/34/70/71/328347071.db2.gz BWFPVOGNVCEGBR-AWEZNQCLSA-N 1 0 292.810 2.630 50 0 CFAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCC(C)(C)C ZINC000097103962 323619042 /nfs/dbraw/zinc/61/90/42/323619042.db2.gz JVSCUTUXGOMOSW-LLVKDONJSA-N 1 0 251.418 2.994 50 0 CFAARO Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)c(C)c1O ZINC000194753508 324094622 /nfs/dbraw/zinc/09/46/22/324094622.db2.gz YSDADIOMKHKGMT-UHFFFAOYSA-N 1 0 288.391 2.822 50 0 CFAARO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[NH3+] ZINC000195542442 324108254 /nfs/dbraw/zinc/10/82/54/324108254.db2.gz OQYLWMISLDRARR-ZDUSSCGKSA-N 1 0 268.360 2.832 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cnnc1C1CC1)[C@@H](C)C2 ZINC000195553752 324108471 /nfs/dbraw/zinc/10/84/71/324108471.db2.gz JKZKPAJQTPSYIW-GUYCJALGSA-N 1 0 296.418 2.987 50 0 CFAARO Cc1ncsc1CC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000577528961 324749826 /nfs/dbraw/zinc/74/98/26/324749826.db2.gz LFLRHMXKLRTESH-NSHDSACASA-N 1 0 286.404 2.993 50 0 CFAARO Fc1cccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)c1 ZINC000005500589 326815967 /nfs/dbraw/zinc/81/59/67/326815967.db2.gz UGJANUONRDURIV-NSHDSACASA-N 1 0 279.340 2.926 50 0 CFAARO OC[C@H]1CCC[N@H+](CCCNc2ccc3ccccc3n2)C1 ZINC000828711238 782102765 /nfs/dbraw/zinc/10/27/65/782102765.db2.gz TXRHCBDFPUQMFW-HNNXBMFYSA-N 1 0 299.418 2.741 50 0 CFAARO Cc1ccc([C@H](C)CC[N@@H+]2CCCC[C@H]2CO)o1 ZINC000828710943 782103041 /nfs/dbraw/zinc/10/30/41/782103041.db2.gz QFFWDZSLUXPINE-OCCSQVGLSA-N 1 0 251.370 2.928 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2ccccc2Nc2ccccc2)C1 ZINC000252490370 500676970 /nfs/dbraw/zinc/67/69/70/500676970.db2.gz KRDLFXOVOBZQJE-CQSZACIVSA-N 1 0 295.386 2.994 50 0 CFAARO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000307946664 521726436 /nfs/dbraw/zinc/72/64/36/521726436.db2.gz KUZSPRQCDYDUIP-OPRDCNLKSA-N 1 0 271.348 2.564 50 0 CFAARO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cscn1 ZINC000096451804 533870439 /nfs/dbraw/zinc/87/04/39/533870439.db2.gz HEWAZTRYDRDREE-UHFFFAOYSA-N 1 0 275.377 2.765 50 0 CFAARO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000096479381 533978626 /nfs/dbraw/zinc/97/86/26/533978626.db2.gz JDFOKOZGFBCKMX-GHMZBOCLSA-N 1 0 289.828 2.814 50 0 CFAARO CC(=O)c1cc(C[N@H+](C)CCC[C@H]2CCCO2)n(C)c1 ZINC000215086340 518275581 /nfs/dbraw/zinc/27/55/81/518275581.db2.gz LZJUGFDLRKDZFS-INIZCTEOSA-N 1 0 278.396 2.619 50 0 CFAARO CC(C)c1cc(C(=O)N2CC[C@@H](C[NH3+])C2)c2ccccc2n1 ZINC000178585166 519831743 /nfs/dbraw/zinc/83/17/43/519831743.db2.gz JMFDQXVWRSVXDM-ZDUSSCGKSA-N 1 0 297.402 2.779 50 0 CFAARO CCC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000069321915 519853668 /nfs/dbraw/zinc/85/36/68/519853668.db2.gz WHLPZHWHHQMTCS-ZDUSSCGKSA-N 1 0 262.401 2.594 50 0 CFAARO Cc1ccc(Cl)c(OCCCCN2CC[NH2+]CC2)c1 ZINC000020272137 524713221 /nfs/dbraw/zinc/71/32/21/524713221.db2.gz ULOTVLOQLZWEOI-UHFFFAOYSA-N 1 0 282.815 2.713 50 0 CFAARO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000096477750 525357322 /nfs/dbraw/zinc/35/73/22/525357322.db2.gz YAZLRYMONBUHKV-XHDPSFHLSA-N 1 0 285.334 2.811 50 0 CFAARO CSc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000244594069 526096040 /nfs/dbraw/zinc/09/60/40/526096040.db2.gz DFTWTWNPGUHLNH-AWEZNQCLSA-N 1 0 262.422 2.689 50 0 CFAARO Cc1cnc(SCC[C@@H]2CCCC[N@H+]2C)nc1 ZINC000340675836 526100530 /nfs/dbraw/zinc/10/05/30/526100530.db2.gz LSOPNOZYANHBLR-LBPRGKRZSA-N 1 0 251.399 2.752 50 0 CFAARO Cc1nnc(C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)s1 ZINC000361027353 526344820 /nfs/dbraw/zinc/34/48/20/526344820.db2.gz XZNCOIDAQINTRL-GHMZBOCLSA-N 1 0 269.414 2.528 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC=CC2)C1 ZINC000096499618 526403365 /nfs/dbraw/zinc/40/33/65/526403365.db2.gz JYISIRSXXRRFDG-ZDUSSCGKSA-N 1 0 266.385 2.694 50 0 CFAARO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000239667434 527664905 /nfs/dbraw/zinc/66/49/05/527664905.db2.gz BPZXEFRJVIZNSD-DLBZAZTESA-N 1 0 291.439 2.679 50 0 CFAARO CC[N@H+](C)C[C@](C)(O)c1ccccc1C(F)(F)F ZINC000096441397 527840392 /nfs/dbraw/zinc/84/03/92/527840392.db2.gz JTQXFMJXLNTDMN-LBPRGKRZSA-N 1 0 261.287 2.865 50 0 CFAARO CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC)c1ccccn1 ZINC000225807754 528843611 /nfs/dbraw/zinc/84/36/11/528843611.db2.gz IXHZDLVPTWYMTB-LSDHHAIUSA-N 1 0 289.423 2.566 50 0 CFAARO CCOC(=O)N1CCC([NH2+]CC2CCCCC2)CC1 ZINC000000757697 528956406 /nfs/dbraw/zinc/95/64/06/528956406.db2.gz ZPLMRRPLWSFIER-UHFFFAOYSA-N 1 0 268.401 2.777 50 0 CFAARO CC(C)[C@H]([NH2+][C@@H](C)C(N)=O)c1ccc(Cl)cc1F ZINC000096500932 529125337 /nfs/dbraw/zinc/12/53/37/529125337.db2.gz UXJPUTHOFIXKPC-UFBFGSQYSA-N 1 0 272.751 2.640 50 0 CFAARO CC[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)C1CCC1 ZINC000449116703 535919509 /nfs/dbraw/zinc/91/95/09/535919509.db2.gz QPAFTJQJQYKDAV-INIZCTEOSA-N 1 0 295.448 2.900 50 0 CFAARO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCCN(C)C1)CCC2 ZINC000098020461 545572467 /nfs/dbraw/zinc/57/24/67/545572467.db2.gz VYIZHTMXZXSWQP-AAEUAGOBSA-N 1 0 265.426 2.513 50 0 CFAARO CC(C)(C)OC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000042326584 570252362 /nfs/dbraw/zinc/25/23/62/570252362.db2.gz PYDDEOVTJADFCJ-UHFFFAOYSA-N 1 0 261.365 2.650 50 0 CFAARO CC(C)(C)n1nc(-c2ccco2)nc1[C@H]1CCC[NH2+]C1 ZINC000952988984 614065307 /nfs/dbraw/zinc/06/53/07/614065307.db2.gz REBKVAHBFHZLRW-NSHDSACASA-N 1 0 274.368 2.760 50 0 CFAARO CC(C)c1ccc(C[NH2+]CCN2CCC[C@@H](CO)C2)cc1 ZINC000952976958 614310470 /nfs/dbraw/zinc/31/04/70/614310470.db2.gz YTCPPJURIXWOFE-QGZVFWFLSA-N 1 0 290.451 2.604 50 0 CFAARO CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2-c2ccco2)C1 ZINC000952987621 615067505 /nfs/dbraw/zinc/06/75/05/615067505.db2.gz KHVHTDNTLZLXCY-HNNXBMFYSA-N 1 0 298.386 2.905 50 0 CFAARO COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1ccccc1C ZINC000952994386 616473778 /nfs/dbraw/zinc/47/37/78/616473778.db2.gz ORAHCMUTLCYXSI-INIZCTEOSA-N 1 0 293.407 2.500 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)c1OC ZINC000022018091 617939356 /nfs/dbraw/zinc/93/93/56/617939356.db2.gz ALDVPIHLUBBLNN-QRTARXTBSA-N 1 0 291.391 2.660 50 0 CFAARO CC1(C)C(=CCc2ccccc2)[N+](=O)C(C)(C)N1O ZINC000100482345 617950715 /nfs/dbraw/zinc/95/07/15/617950715.db2.gz NFDOPTQXPYPZKI-KHPPLWFESA-N 1 0 259.329 2.827 50 0 CFAARO Cc1ccc(C)c(N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000023282624 618367031 /nfs/dbraw/zinc/36/70/31/618367031.db2.gz RLRWQTOOLGBOQG-HNNXBMFYSA-N 1 0 276.449 2.931 50 0 CFAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000003684254 618685926 /nfs/dbraw/zinc/68/59/26/618685926.db2.gz CEVZKGVNGGYUKK-CQSZACIVSA-N 1 0 280.437 2.829 50 0 CFAARO Cc1cc(C(C)(C)C)ccc1OCCC[NH2+]CCN ZINC000020118459 618800262 /nfs/dbraw/zinc/80/02/62/618800262.db2.gz DCXWVKXAYIBUFH-UHFFFAOYSA-N 1 0 264.413 2.610 50 0 CFAARO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCC[C@@H](C)C1 ZINC000008556390 619096830 /nfs/dbraw/zinc/09/68/30/619096830.db2.gz XGSFSMOKZNRERD-RDBSUJKOSA-N 1 0 253.386 2.983 50 0 CFAARO C[C@H](C[C@H](C)[NH2+]C1(C(N)=O)CC1)SC1CCCCC1 ZINC000888096122 619131757 /nfs/dbraw/zinc/13/17/57/619131757.db2.gz LBSBOZJHQQJHOI-NWDGAFQWSA-N 1 0 284.469 2.827 50 0 CFAARO CC(C)=C=C1[C@@H](C[NH+]2CCC(NC(C)=O)CC2)C1(C)C ZINC000888096180 619131839 /nfs/dbraw/zinc/13/18/39/619131839.db2.gz MQCJXBRXPSBKMN-MRXNPFEDSA-N 1 0 276.424 2.734 50 0 CFAARO COc1cccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@H]23)c1OC ZINC000008553107 620377786 /nfs/dbraw/zinc/37/77/86/620377786.db2.gz ALDVPIHLUBBLNN-UKPHBRMFSA-N 1 0 291.391 2.660 50 0 CFAARO C[N@H+](CCC1CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000173372322 623345455 /nfs/dbraw/zinc/34/54/55/623345455.db2.gz QXOHQRLOJMOBSK-HNNXBMFYSA-N 1 0 258.365 2.524 50 0 CFAARO CCc1ccc(-c2noc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000874435602 624452615 /nfs/dbraw/zinc/45/26/15/624452615.db2.gz ZBOZJJQAESKKLQ-CABCVRRESA-N 1 0 299.374 2.835 50 0 CFAARO C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCCC2(C)C)CC1 ZINC000174985593 624922948 /nfs/dbraw/zinc/92/29/48/624922948.db2.gz QOZNUVONWFANIW-OAHLLOKOSA-N 1 0 295.471 2.938 50 0 CFAARO Cc1nsc(NC[C@@H]2CCCC[C@@H]2[NH+]2CCCC2)n1 ZINC000952992119 626122615 /nfs/dbraw/zinc/12/26/15/626122615.db2.gz ASKKBTGBHZRZIV-STQMWFEESA-N 1 0 280.441 2.913 50 0 CFAARO CCC[NH2+]CC[C@H]1CCC(=O)N1CCc1cccs1 ZINC000011782783 626187713 /nfs/dbraw/zinc/18/77/13/626187713.db2.gz DUIYIZNJQRWKJW-CYBMUJFWSA-N 1 0 280.437 2.671 50 0 CFAARO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC000012028267 626244397 /nfs/dbraw/zinc/24/43/97/626244397.db2.gz YGWJXWLALSEMBT-QGZVFWFLSA-N 1 0 292.423 2.522 50 0 CFAARO CC(C)c1ccc(N[C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000012434727 626255665 /nfs/dbraw/zinc/25/56/65/626255665.db2.gz QMSSBUBKLVTCNJ-MRXNPFEDSA-N 1 0 262.397 2.679 50 0 CFAARO Cc1cc(C)c([C@@H]2C[C@H]3CN(C)C(=O)[C@]34CCC[N@@H+]24)cc1C ZINC000012594589 626260775 /nfs/dbraw/zinc/26/07/75/626260775.db2.gz IGRHFXLMVWZIQM-IEZWGBDMSA-N 1 0 298.430 2.979 50 0 CFAARO CC(C)(C)CN1C[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC1=O ZINC000012429691 626405400 /nfs/dbraw/zinc/40/54/00/626405400.db2.gz QALZEILALPTNSV-CQSZACIVSA-N 1 0 296.361 2.701 50 0 CFAARO C[NH2+][C@@H](C)c1cnc(N2CCCCCCC2)nc1C ZINC000012596237 626449945 /nfs/dbraw/zinc/44/99/45/626449945.db2.gz QMOICWARXINKJT-LBPRGKRZSA-N 1 0 262.401 2.836 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000863983382 637832581 /nfs/dbraw/zinc/83/25/81/637832581.db2.gz GMKOFZQPNBOCSI-NSHDSACASA-N 1 0 299.403 2.883 50 0 CFAARO C[C@@H]([NH2+]CCCNC(=O)c1cccs1)c1ccns1 ZINC000863983657 637833013 /nfs/dbraw/zinc/83/30/13/637833013.db2.gz LHKCOYPZSUEERE-SNVBAGLBSA-N 1 0 295.433 2.675 50 0 CFAARO COc1cccc(C[NH2+][C@@H]2COc3ccccc3C2)c1F ZINC000192675075 650584397 /nfs/dbraw/zinc/58/43/97/650584397.db2.gz OMASETVCEJCKKL-AWEZNQCLSA-N 1 0 287.334 2.928 50 0 CFAARO OC[C@H]1CCCN(CC[NH2+]Cc2cccc3ccccc32)C1 ZINC000952967150 650789994 /nfs/dbraw/zinc/78/99/94/650789994.db2.gz JTGFHCFPZFXBCF-INIZCTEOSA-N 1 0 298.430 2.634 50 0 CFAARO COc1ccc(F)c(F)c1C[NH2+]CCCn1ccnc1C ZINC000952967673 650790095 /nfs/dbraw/zinc/79/00/95/650790095.db2.gz BNBCTYUQMWVMJN-UHFFFAOYSA-N 1 0 295.333 2.658 50 0 CFAARO Cc1ccc(C[N@H+](CCCO)Cc2ccoc2)cc1 ZINC000952970685 650790861 /nfs/dbraw/zinc/79/08/61/650790861.db2.gz SNEDOYNOTPXZIE-UHFFFAOYSA-N 1 0 259.349 2.973 50 0 CFAARO Fc1cnc(NC[C@H]2CCCC[C@H]2[NH+]2CCCC2)cn1 ZINC000952992496 650791641 /nfs/dbraw/zinc/79/16/41/650791641.db2.gz GONSAQASKONWAB-CHWSQXEVSA-N 1 0 278.375 2.682 50 0 CFAARO CC1=NO[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000877871072 643613480 /nfs/dbraw/zinc/61/34/80/643613480.db2.gz JTJXFSFAENAMMR-LBPRGKRZSA-N 1 0 283.169 2.704 50 0 CFAARO CC1=NO[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000877871071 643613612 /nfs/dbraw/zinc/61/36/12/643613612.db2.gz JTJXFSFAENAMMR-GFCCVEGCSA-N 1 0 283.169 2.704 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C(/C)c2cccc(F)c2)C1 ZINC000096482482 650992781 /nfs/dbraw/zinc/99/27/81/650992781.db2.gz GWBVGUHBJRVLIB-XXYUJHKVSA-N 1 0 290.382 2.687 50 0 CFAARO Cc1cc(N2CC[C@@H]([NH+](C)C)[C@H]2C)nc(C2CCC2)n1 ZINC000928996276 648972165 /nfs/dbraw/zinc/97/21/65/648972165.db2.gz RBXNXRCRADDVQU-TZMCWYRMSA-N 1 0 274.412 2.581 50 0 CFAARO Cc1cccc(OC2CC[NH+](CCn3cccn3)CC2)c1 ZINC000020993903 651302532 /nfs/dbraw/zinc/30/25/32/651302532.db2.gz KXMDCZFIVPWREO-UHFFFAOYSA-N 1 0 285.391 2.735 50 0 CFAARO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038832622 777865483 /nfs/dbraw/zinc/86/54/83/777865483.db2.gz XZDTWPHUHCJJKJ-CYBMUJFWSA-N 1 0 280.799 2.640 50 0 CFAARO CCCC[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000032500575 779008995 /nfs/dbraw/zinc/00/89/95/779008995.db2.gz BMCLEVFXTDDKFY-ZFWWWQNUSA-N 1 0 265.397 2.854 50 0 CFAARO CCC(CC)C[NH+]1CCC(N2CCSCC2)CC1 ZINC000032587114 779072304 /nfs/dbraw/zinc/07/23/04/779072304.db2.gz YGEFNRBLVXSIIU-UHFFFAOYSA-N 1 0 270.486 2.936 50 0 CFAARO C[NH+]1CCC(c2nnc3sc4ccccc4n32)CC1 ZINC000032590169 779072656 /nfs/dbraw/zinc/07/26/56/779072656.db2.gz SKRWCLWFLZDMHL-UHFFFAOYSA-N 1 0 272.377 2.753 50 0 CFAARO COC(C)(C)CCC[C@@H](C)CC[NH2+]C[C@@H]1COCCO1 ZINC000032593125 779072888 /nfs/dbraw/zinc/07/28/88/779072888.db2.gz LAWRPDCZPOXVBA-HUUCEWRRSA-N 1 0 287.444 2.613 50 0 CFAARO c1nc(CCC[NH+]2CCCC2)n(C2Cc3ccccc3C2)n1 ZINC000820385571 781866889 /nfs/dbraw/zinc/86/68/89/781866889.db2.gz VGVROIWXDJEBNO-UHFFFAOYSA-N 1 0 296.418 2.646 50 0 CFAARO CC[C@@H](C(=O)NCc1ccc2[nH]c(C)cc2c1)[N@H+](C)CC ZINC000822555788 781903656 /nfs/dbraw/zinc/90/36/56/781903656.db2.gz NBRLGHBYDOZJQB-INIZCTEOSA-N 1 0 287.407 2.823 50 0 CFAARO C[C@H]([NH2+]CC(N)=O)c1ccc(Oc2ccccc2)cc1 ZINC000096491415 230382557 /nfs/dbraw/zinc/38/25/57/230382557.db2.gz FKCIJQYPASVRAX-LBPRGKRZSA-N 1 0 270.332 2.615 50 0 CFAARO COCCC[C@H](C)C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000096496501 230384161 /nfs/dbraw/zinc/38/41/61/230384161.db2.gz SWCPKCMWHOGDID-HOTGVXAUSA-N 1 0 296.455 2.526 50 0 CFAARO NC(=O)C1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000000757682 230366654 /nfs/dbraw/zinc/36/66/54/230366654.db2.gz MJRRNSQGWYXQAY-UHFFFAOYSA-N 1 0 286.419 2.910 50 0 CFAARO Clc1ccc2nc(CN3CC[C@H]4C[NH2+]C[C@H]43)ccc2c1 ZINC000426581370 230423602 /nfs/dbraw/zinc/42/36/02/230423602.db2.gz ZKDCJDSAJZGEDM-BLLLJJGKSA-N 1 0 287.794 2.682 50 0 CFAARO C[C@H](c1ccc(-c2nnc(CO)[nH]2)cc1)[NH+]1CCCCC1 ZINC000426746337 230428124 /nfs/dbraw/zinc/42/81/24/230428124.db2.gz SLEVBZVYIMVZPT-GFCCVEGCSA-N 1 0 286.379 2.511 50 0 CFAARO CCCC[C@@H](NC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000095943396 185037103 /nfs/dbraw/zinc/03/71/03/185037103.db2.gz TUUSSKPBQLVGES-CQSZACIVSA-N 1 0 284.444 2.571 50 0 CFAARO COc1cccc([C@@H](O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000095967875 185047200 /nfs/dbraw/zinc/04/72/00/185047200.db2.gz IICSTOJMYOHCES-GJZGRUSLSA-N 1 0 293.407 2.664 50 0 CFAARO C[C@@H]([NH2+]C1CCSCC1)c1cccc(-n2cncn2)c1 ZINC000095968862 185047465 /nfs/dbraw/zinc/04/74/65/185047465.db2.gz ZZNBIQMGLHZFFC-GFCCVEGCSA-N 1 0 288.420 2.814 50 0 CFAARO C[C@H]([NH2+]C1CCSCC1)c1cccc(-n2cncn2)c1 ZINC000095968861 185048060 /nfs/dbraw/zinc/04/80/60/185048060.db2.gz ZZNBIQMGLHZFFC-LBPRGKRZSA-N 1 0 288.420 2.814 50 0 CFAARO COc1ccc(C2(C[NH2+][C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000095969346 185048145 /nfs/dbraw/zinc/04/81/45/185048145.db2.gz AVDCFHJPQGYXJR-CYBMUJFWSA-N 1 0 285.391 2.811 50 0 CFAARO COCCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCSC2)c1C ZINC000095982182 185053799 /nfs/dbraw/zinc/05/37/99/185053799.db2.gz CBGDRGFMBAVKJL-BXUZGUMPSA-N 1 0 297.468 2.693 50 0 CFAARO CC(C)CNc1ccc(CC[NH+]2CCN(C)CC2)cc1 ZINC000095981675 185053894 /nfs/dbraw/zinc/05/38/94/185053894.db2.gz HNNLGSMWMGDVGC-UHFFFAOYSA-N 1 0 275.440 2.544 50 0 CFAARO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000095986064 185056379 /nfs/dbraw/zinc/05/63/79/185056379.db2.gz TYMOKEJSEKHVPC-LLVKDONJSA-N 1 0 297.362 2.723 50 0 CFAARO C[C@H]([NH2+]CCCS(C)(=O)=O)c1c(F)cccc1Cl ZINC000095985948 185056663 /nfs/dbraw/zinc/05/66/63/185056663.db2.gz KGYKYHZEYBOLED-VIFPVBQESA-N 1 0 293.791 2.564 50 0 CFAARO CCSCc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000095987042 185056716 /nfs/dbraw/zinc/05/67/16/185056716.db2.gz BEJFHYHMZHNHQG-UHFFFAOYSA-N 1 0 294.464 2.963 50 0 CFAARO CC[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000095985992 185056743 /nfs/dbraw/zinc/05/67/43/185056743.db2.gz MNMZQQZXIXCAMP-BBRMVZONSA-N 1 0 262.397 2.708 50 0 CFAARO COCc1nc(C[NH2+][C@@H]2CCO[C@H](CC(C)C)C2)cs1 ZINC000095991113 185058217 /nfs/dbraw/zinc/05/82/17/185058217.db2.gz JCTLZRRRKVQZRA-TZMCWYRMSA-N 1 0 298.452 2.973 50 0 CFAARO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000096009145 185063989 /nfs/dbraw/zinc/06/39/89/185063989.db2.gz ZAGCVPRKKFBIMS-CFVMTHIKSA-N 1 0 274.408 2.683 50 0 CFAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000125249814 187176689 /nfs/dbraw/zinc/17/66/89/187176689.db2.gz WZODGPHVHJZUIH-SSDOTTSWSA-N 1 0 291.153 2.566 50 0 CFAARO [NH3+][C@@H](CC(=O)N1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000096663623 185109034 /nfs/dbraw/zinc/10/90/34/185109034.db2.gz UISXMIUZBRLXIC-KRWDZBQOSA-N 1 0 286.419 2.595 50 0 CFAARO CC(C)c1cc(C(=O)N2CC[C@H]([NH3+])C2)c2ccccc2n1 ZINC000097019628 185152807 /nfs/dbraw/zinc/15/28/07/185152807.db2.gz RWPSIAXHJLERAH-LBPRGKRZSA-N 1 0 283.375 2.531 50 0 CFAARO CCC[NH+]1CCC(N[C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000097033396 185155643 /nfs/dbraw/zinc/15/56/43/185155643.db2.gz UZBRWJCVJDXTCU-INIZCTEOSA-N 1 0 296.842 2.837 50 0 CFAARO O=C1NCC[C@H]1[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000097034248 185157279 /nfs/dbraw/zinc/15/72/79/185157279.db2.gz QIITXZNLHOHVHD-OLZOCXBDSA-N 1 0 298.308 2.635 50 0 CFAARO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc2cc(Cl)ccc2o1 ZINC000097034792 185157309 /nfs/dbraw/zinc/15/73/09/185157309.db2.gz WISQZGWBYAHXPH-ZUZCIYMTSA-N 1 0 295.766 2.888 50 0 CFAARO CC(=O)Nc1ccc(C)c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000097034030 185157363 /nfs/dbraw/zinc/15/73/63/185157363.db2.gz MRBWVQCCSNIABF-WFASDCNBSA-N 1 0 287.407 2.991 50 0 CFAARO CC(C)(C[NH+]1CCC(c2nnc[nH]2)CC1)c1ccccc1 ZINC000097033970 185157436 /nfs/dbraw/zinc/15/74/36/185157436.db2.gz JSHOTICBBNXHNP-UHFFFAOYSA-N 1 0 284.407 2.962 50 0 CFAARO CC[C@H](CSc1ccccc1)[NH2+][C@@H]1CCOC1 ZINC000096490343 529417521 /nfs/dbraw/zinc/41/75/21/529417521.db2.gz XUCITKOZEUFPRO-CHWSQXEVSA-N 1 0 251.395 2.936 50 0 CFAARO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc(O)c1 ZINC000126607949 187251675 /nfs/dbraw/zinc/25/16/75/187251675.db2.gz AIONZZKOPWVQTF-LLVKDONJSA-N 1 0 284.350 2.772 50 0 CFAARO C[NH+](C)CCSCc1csc([C@H]2CCCO2)n1 ZINC000126767305 187261292 /nfs/dbraw/zinc/26/12/92/187261292.db2.gz WOXPUAKEMBDEAU-LLVKDONJSA-N 1 0 272.439 2.789 50 0 CFAARO C[N@H+](CCCn1ccnc1)Cc1nc2ccccc2o1 ZINC000096490565 529898863 /nfs/dbraw/zinc/89/88/63/529898863.db2.gz KEUCNMHKLQFUQA-UHFFFAOYSA-N 1 0 270.336 2.546 50 0 CFAARO O=c1cc(C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)nc2sccn21 ZINC000075109046 347056066 /nfs/dbraw/zinc/05/60/66/347056066.db2.gz WANMWISPJBPVNA-AAEUAGOBSA-N 1 0 289.404 2.521 50 0 CFAARO C[N@H+](Cc1ccno1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000096445675 530011807 /nfs/dbraw/zinc/01/18/07/530011807.db2.gz LZUSLDFRDFSOKF-UHFFFAOYSA-N 1 0 295.383 2.506 50 0 CFAARO OC1(Cc2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000075284208 347064234 /nfs/dbraw/zinc/06/42/34/347064234.db2.gz VIXWTUUVMRMMRD-UHFFFAOYSA-N 1 0 282.387 2.651 50 0 CFAARO C[S@@](=O)C[C@H]([NH2+]Cc1ccsc1)c1ccccc1 ZINC000097143290 185547738 /nfs/dbraw/zinc/54/77/38/185547738.db2.gz JFYSNDCWVWBSKL-KSSFIOAISA-N 1 0 279.430 2.958 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cnn(C)c1 ZINC000097145309 185548793 /nfs/dbraw/zinc/54/87/93/185548793.db2.gz YFDBJRDFQQWWSC-HNNXBMFYSA-N 1 0 285.391 2.638 50 0 CFAARO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1CCOC(C)C ZINC000075605073 347086645 /nfs/dbraw/zinc/08/66/45/347086645.db2.gz ZLKCAAHXKHPMQC-GFCCVEGCSA-N 1 0 285.819 2.944 50 0 CFAARO Cc1[nH]c2c(cccc2C(=O)N2C[C@@H]3CCC[NH2+][C@@H]3C2)c1C ZINC000097347569 185588010 /nfs/dbraw/zinc/58/80/10/185588010.db2.gz DCIUXHDXMHVCHA-XJKSGUPXSA-N 1 0 297.402 2.609 50 0 CFAARO CCOc1ccccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000097446993 185606671 /nfs/dbraw/zinc/60/66/71/185606671.db2.gz CRJGJMKZGDDSAE-MRXNPFEDSA-N 1 0 274.408 2.755 50 0 CFAARO Cc1[nH]ccc1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000175069771 232305627 /nfs/dbraw/zinc/30/56/27/232305627.db2.gz WYNNXNRVSVCIFD-UHFFFAOYSA-N 1 0 297.402 2.849 50 0 CFAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000299738792 539513599 /nfs/dbraw/zinc/51/35/99/539513599.db2.gz GMOFEKNKSDFPGA-TZMCWYRMSA-N 1 0 294.826 2.858 50 0 CFAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000085334227 179022300 /nfs/dbraw/zinc/02/23/00/179022300.db2.gz HPZYSTOBOMZXPV-MJGOQNOKSA-N 1 0 290.366 2.983 50 0 CFAARO Cc1ccccc1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000036932414 136529760 /nfs/dbraw/zinc/52/97/60/136529760.db2.gz GPICUNUZIXLSKH-UHFFFAOYSA-N 1 0 282.391 2.544 50 0 CFAARO Cc1ccc(OCCCCC[NH+]2CCN(C)CC2)cc1 ZINC000033560089 346311483 /nfs/dbraw/zinc/31/14/83/346311483.db2.gz BGMFYARWPJJYRL-UHFFFAOYSA-N 1 0 276.424 2.792 50 0 CFAARO CCOc1ccc(NC(=O)OCC[NH+](CC)CC)cc1 ZINC000038172058 346337705 /nfs/dbraw/zinc/33/77/05/346337705.db2.gz HZRIXBBLRVCLRB-UHFFFAOYSA-N 1 0 280.368 2.976 50 0 CFAARO CC(C)c1nnc(C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000085470723 179076090 /nfs/dbraw/zinc/07/60/90/179076090.db2.gz SEKUODNQGKRJCP-UHFFFAOYSA-N 1 0 286.379 2.968 50 0 CFAARO CN(CC[NH2+][C@@H]1CCCc2c1cnn2C)c1ccccc1 ZINC000089745528 282478202 /nfs/dbraw/zinc/47/82/02/282478202.db2.gz ZKNZDURBRUGDQZ-MRXNPFEDSA-N 1 0 284.407 2.524 50 0 CFAARO CC[C@@H](O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000075746193 347096541 /nfs/dbraw/zinc/09/65/41/347096541.db2.gz AZAUWAXXWRYFKV-KGLIPLIRSA-N 1 0 251.395 2.547 50 0 CFAARO [NH3+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000062700680 346691097 /nfs/dbraw/zinc/69/10/97/346691097.db2.gz FORVUTQIBZDBDF-UHFFFAOYSA-N 1 0 252.058 2.509 50 0 CFAARO O=c1c2c(ccn2CC2CC2)ccn1CCC[NH+]1CCCC1 ZINC000065224778 346731367 /nfs/dbraw/zinc/73/13/67/346731367.db2.gz LSNRGNIHVCINEP-UHFFFAOYSA-N 1 0 299.418 2.699 50 0 CFAARO C[NH+](C)[C@H](CNc1ncccc1F)c1cccs1 ZINC000084482693 347464741 /nfs/dbraw/zinc/46/47/41/347464741.db2.gz KTTGBHVWJDYKFE-LLVKDONJSA-N 1 0 265.357 2.997 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)[C@H](C)C1 ZINC000089570302 347521458 /nfs/dbraw/zinc/52/14/58/347521458.db2.gz GLDCHFXFIMLFFE-QAPCUYQASA-N 1 0 288.435 2.958 50 0 CFAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000089937623 347532462 /nfs/dbraw/zinc/53/24/62/347532462.db2.gz FETYDQSHNXRJNQ-MLGOLLRUSA-N 1 0 285.391 2.514 50 0 CFAARO C[C@@H]([NH2+]CCSc1ccccc1)[C@H]1CCOC1 ZINC000128560972 187377478 /nfs/dbraw/zinc/37/74/78/187377478.db2.gz ZVXRJTBOIOVCGY-OLZOCXBDSA-N 1 0 251.395 2.793 50 0 CFAARO O[C@]1(c2ccccc2)CCC[NH2+][C@H]1Cc1ccccc1 ZINC000096027079 347700286 /nfs/dbraw/zinc/70/02/86/347700286.db2.gz DTHAJUWHWQFHKJ-ROUUACIJSA-N 1 0 267.372 2.869 50 0 CFAARO C[N@@H+](Cc1ccccc1)C[C@@H](CO)c1ccccc1 ZINC000096027593 347700567 /nfs/dbraw/zinc/70/05/67/347700567.db2.gz DLQNFALCHYKSGE-KRWDZBQOSA-N 1 0 255.361 2.895 50 0 CFAARO C[C@H]1CCC[C@H]([NH+]2CCC(Nc3cnn(C)c3)CC2)C1 ZINC000097237658 347708680 /nfs/dbraw/zinc/70/86/80/347708680.db2.gz VMBHBELPDKWMIY-BBRMVZONSA-N 1 0 276.428 2.875 50 0 CFAARO C[C@@H]1CCC[C@H]([NH+]2CCC(Nc3cnn(C)c3)CC2)C1 ZINC000097237657 347708708 /nfs/dbraw/zinc/70/87/08/347708708.db2.gz VMBHBELPDKWMIY-CJNGLKHVSA-N 1 0 276.428 2.875 50 0 CFAARO C[C@H](CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccsc1 ZINC000097376399 347709193 /nfs/dbraw/zinc/70/91/93/347709193.db2.gz RMEAXPWSZONHEV-IUODEOHRSA-N 1 0 292.448 2.842 50 0 CFAARO CC(C)C[N@@H+]1CCCC[C@@H]1c1nncn1CC1CC1 ZINC000097941521 347711415 /nfs/dbraw/zinc/71/14/15/347711415.db2.gz BFQPPOHXLAXYKB-CQSZACIVSA-N 1 0 262.401 2.871 50 0 CFAARO COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)ccc1F ZINC000110700602 347749199 /nfs/dbraw/zinc/74/91/99/347749199.db2.gz FLOAITLRNRQRGY-LOWVWBTDSA-N 1 0 267.344 2.910 50 0 CFAARO CC(=O)NCC[NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000119599523 539587701 /nfs/dbraw/zinc/58/77/01/539587701.db2.gz RVEQHLLKJKHPPP-KBRIMQKVSA-N 1 0 274.408 2.685 50 0 CFAARO CC1(C)CCC([NH3+])(CNC(=O)NC2CCCC2)CC1 ZINC000725254980 539586341 /nfs/dbraw/zinc/58/63/41/539586341.db2.gz MJLTYLZXHWQOON-UHFFFAOYSA-N 1 0 267.417 2.526 50 0 CFAARO C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000136466055 347909746 /nfs/dbraw/zinc/90/97/46/347909746.db2.gz NGBLSBKZBFWKHH-XYPHTWIQSA-N 1 0 277.408 2.854 50 0 CFAARO C[C@@H](Cn1cncn1)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000154133847 347977564 /nfs/dbraw/zinc/97/75/64/347977564.db2.gz UPFGXJIEYHRAPG-ZOODHJKOSA-N 1 0 290.798 2.856 50 0 CFAARO COc1cccc([C@H](C)[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000170076535 348053329 /nfs/dbraw/zinc/05/33/29/348053329.db2.gz HOTMHMVGHHJXIY-NSHDSACASA-N 1 0 297.358 2.716 50 0 CFAARO C[NH2+]C[C@@H](C)C(=O)N([C@H](C)c1ccccc1F)C1CC1 ZINC000170048789 348053343 /nfs/dbraw/zinc/05/33/43/348053343.db2.gz AHKBMTMDMPLUFR-VXGBXAGGSA-N 1 0 278.371 2.733 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CCC=CO1)[C@@H]1COc2ccccc21 ZINC000170089099 348053433 /nfs/dbraw/zinc/05/34/33/348053433.db2.gz HRTUBQLUPPGWLW-YDHLFZDLSA-N 1 0 259.349 2.833 50 0 CFAARO C[NH2+]C[C@H](C)C(=O)N([C@H](C)c1ccccc1F)C1CC1 ZINC000170048786 348053435 /nfs/dbraw/zinc/05/34/35/348053435.db2.gz AHKBMTMDMPLUFR-NWDGAFQWSA-N 1 0 278.371 2.733 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+][C@@H](CO)c1ccccc1 ZINC000170593119 348054971 /nfs/dbraw/zinc/05/49/71/348054971.db2.gz FHVRVJRDUPUABC-KRWDZBQOSA-N 1 0 295.386 2.668 50 0 CFAARO CCCn1cc(CNc2nc3cc(F)ccc3n2C)cn1 ZINC000170596659 348055111 /nfs/dbraw/zinc/05/51/11/348055111.db2.gz UCWRDFXIOMGIRI-UHFFFAOYSA-N 1 0 287.342 2.931 50 0 CFAARO Cc1csc(C[N@H+](C)CC2CCC3(CC2)OCCO3)n1 ZINC000170612231 348056901 /nfs/dbraw/zinc/05/69/01/348056901.db2.gz KXQMAKUYOJXJKN-UHFFFAOYSA-N 1 0 296.436 2.817 50 0 CFAARO O=S1(=O)CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCCCC1 ZINC000195558162 348146272 /nfs/dbraw/zinc/14/62/72/348146272.db2.gz YNSGEZXMQLBJOT-LSDHHAIUSA-N 1 0 285.453 2.512 50 0 CFAARO CC(C)c1cc(CN2CC[NH2+][C@H](c3ccccc3)C2)on1 ZINC000230482172 348206155 /nfs/dbraw/zinc/20/61/55/348206155.db2.gz VMKDLEGOKWNFQD-KRWDZBQOSA-N 1 0 285.391 2.945 50 0 CFAARO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245856871 348258324 /nfs/dbraw/zinc/25/83/24/348258324.db2.gz OZXZKMGSNLISSF-PMPSAXMXSA-N 1 0 278.440 2.757 50 0 CFAARO OC[C@@H]1CCC[C@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000253369360 348300998 /nfs/dbraw/zinc/30/09/98/348300998.db2.gz BNFVVQYIFPBQFA-LZLYRXPVSA-N 1 0 282.387 2.922 50 0 CFAARO COc1ccc([C@H](O)[C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000253370954 348301011 /nfs/dbraw/zinc/30/10/11/348301011.db2.gz YRGYODMQTAPIKY-OSAQELSMSA-N 1 0 281.421 2.602 50 0 CFAARO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCC1OCCO1 ZINC000390833480 348543943 /nfs/dbraw/zinc/54/39/43/348543943.db2.gz IBWKVRXYMDMIGL-MRXNPFEDSA-N 1 0 291.391 2.767 50 0 CFAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)c2ccco2)C1 ZINC000409421164 348600759 /nfs/dbraw/zinc/60/07/59/348600759.db2.gz SPEXGPKRXIUERJ-ZDUSSCGKSA-N 1 0 285.347 2.749 50 0 CFAARO Fc1ccc(N2CC[C@H](CNc3ccncc3F)C2)cc1 ZINC000584885000 348726776 /nfs/dbraw/zinc/72/67/76/348726776.db2.gz QNUPKWNDLSYXSE-GFCCVEGCSA-N 1 0 289.329 2.720 50 0 CFAARO CC[C@H](NC(=O)CCC[NH+]1CCCC1)c1cccc(C)n1 ZINC000584887903 348727303 /nfs/dbraw/zinc/72/73/03/348727303.db2.gz CDDSAHGPPAHEQM-HNNXBMFYSA-N 1 0 289.423 2.833 50 0 CFAARO CCCn1cnnc1[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000584887661 348727625 /nfs/dbraw/zinc/72/76/25/348727625.db2.gz DLUYHSZTVCNZQY-LBPRGKRZSA-N 1 0 270.380 2.506 50 0 CFAARO Cc1cccc2nc(C[NH2+][C@@H]3CCCSC3)cn21 ZINC000584892797 348729103 /nfs/dbraw/zinc/72/91/03/348729103.db2.gz OHSRDWLDZAAIRM-GFCCVEGCSA-N 1 0 261.394 2.628 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)NCc2cccnc2)C[C@@H]1C ZINC000129209933 187417507 /nfs/dbraw/zinc/41/75/07/187417507.db2.gz XTIJTZFFCJHQNY-IJEWVQPXSA-N 1 0 289.423 2.502 50 0 CFAARO C[C@@H]([NH2+]CCOc1ccccc1Cl)c1cnccn1 ZINC000090772555 180038177 /nfs/dbraw/zinc/03/81/77/180038177.db2.gz XJAAIGYSOQIFCF-LLVKDONJSA-N 1 0 277.755 2.860 50 0 CFAARO CCO[C@@H](C)C[N@H+](C)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000091350488 180137763 /nfs/dbraw/zinc/13/77/63/180137763.db2.gz WSFPALHCQNIBDS-ZDUSSCGKSA-N 1 0 288.391 2.693 50 0 CFAARO COc1ccc(F)cc1C[N@@H+]1CC[C@@](O)(C2CC2)[C@H](C)C1 ZINC000091381570 180143621 /nfs/dbraw/zinc/14/36/21/180143621.db2.gz XQRHKLSZDILJOE-PXAZEXFGSA-N 1 0 293.382 2.817 50 0 CFAARO c1ccc(C[N@H+]2CC[C@@H](CCNc3ncccn3)C2)cc1 ZINC000091636445 180211316 /nfs/dbraw/zinc/21/13/16/180211316.db2.gz GHULXZJSYCXMJS-MRXNPFEDSA-N 1 0 282.391 2.801 50 0 CFAARO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC000091680282 180226184 /nfs/dbraw/zinc/22/61/84/180226184.db2.gz GVORNCPDSWRATA-KRWDZBQOSA-N 1 0 289.423 2.716 50 0 CFAARO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C)C3)c(C)c1C ZINC000091694401 180229040 /nfs/dbraw/zinc/22/90/40/180229040.db2.gz BOJMGEDABBUSST-DOTOQJQBSA-N 1 0 288.435 2.838 50 0 CFAARO CCCc1ncc(C[N@@H+]2CCC[C@@](CO)(CCC)C2)cn1 ZINC000091713790 180231611 /nfs/dbraw/zinc/23/16/11/180231611.db2.gz QSHRDVMQNLCSFP-KRWDZBQOSA-N 1 0 291.439 2.804 50 0 CFAARO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000091859048 180275155 /nfs/dbraw/zinc/27/51/55/180275155.db2.gz SWDKHLWCGYKQBT-INIZCTEOSA-N 1 0 281.371 2.819 50 0 CFAARO CCCn1ncc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)c1C ZINC000091808914 180260810 /nfs/dbraw/zinc/26/08/10/180260810.db2.gz ASHBXUPSZRIOSO-INIZCTEOSA-N 1 0 279.428 2.584 50 0 CFAARO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1coc(C)n1)C2 ZINC000091818709 180262853 /nfs/dbraw/zinc/26/28/53/180262853.db2.gz QVQZHAMSAGJKPJ-DOTOQJQBSA-N 1 0 289.423 2.845 50 0 CFAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@](CO)(CC2CC2)C1 ZINC000091943581 180289869 /nfs/dbraw/zinc/28/98/69/180289869.db2.gz AMJCHNYVBVTHDK-MRXNPFEDSA-N 1 0 278.396 2.666 50 0 CFAARO O[C@@H]1C[C@@H](C2CCCCC2)[N@H+](CCc2ccncc2)C1 ZINC000106853698 186142680 /nfs/dbraw/zinc/14/26/80/186142680.db2.gz XXBWFZPNZNZKLD-SJORKVTESA-N 1 0 274.408 2.640 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)cc1 ZINC000110641719 186308355 /nfs/dbraw/zinc/30/83/55/186308355.db2.gz FKLLEGKOBGXBKF-LSDHHAIUSA-N 1 0 292.448 2.762 50 0 CFAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c(Cl)c1OC ZINC000110823029 186327734 /nfs/dbraw/zinc/32/77/34/186327734.db2.gz OOTZMUBUJFVREM-NEPJUHHUSA-N 1 0 299.798 2.750 50 0 CFAARO C[NH2+]C1CCN(C(=O)/C=C\c2ccc(C)cc2C)CC1 ZINC000606441407 351270504 /nfs/dbraw/zinc/27/05/04/351270504.db2.gz XJJPQWKJQAWUGB-SREVYHEPSA-N 1 0 272.392 2.527 50 0 CFAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 ZINC000152332276 188010367 /nfs/dbraw/zinc/01/03/67/188010367.db2.gz JYINMOAXPCPAOP-MOVJSRMASA-N 1 0 285.174 2.566 50 0 CFAARO COc1c(N)cc[nH+]c1-c1cccc2cnccc21 ZINC000216150732 539970159 /nfs/dbraw/zinc/97/01/59/539970159.db2.gz LAWXEAWQDWRKTG-UHFFFAOYSA-N 1 0 251.289 2.888 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000154698362 188157669 /nfs/dbraw/zinc/15/76/69/188157669.db2.gz MHFZEUXIRZSATF-ORAYPTAESA-N 1 0 294.445 2.661 50 0 CFAARO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1 ZINC000154985473 188174611 /nfs/dbraw/zinc/17/46/11/188174611.db2.gz NPJAJWOHLWIAHT-GDBMZVCRSA-N 1 0 293.432 2.718 50 0 CFAARO Fc1ccc2c(c1)[C@H]([NH2+]CCCn1cccn1)CC2 ZINC000095419826 283005550 /nfs/dbraw/zinc/00/55/50/283005550.db2.gz QCQFGTYWDZNZJS-OAHLLOKOSA-N 1 0 259.328 2.689 50 0 CFAARO Ic1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000003732246 283041212 /nfs/dbraw/zinc/04/12/12/283041212.db2.gz RJUPNYAFIYEVMY-SNVBAGLBSA-N 1 0 273.117 2.716 50 0 CFAARO COc1cc(C[C@H](C)[NH2+]Cc2scnc2C)ccn1 ZINC000630059714 354994176 /nfs/dbraw/zinc/99/41/76/354994176.db2.gz FDPONFGTJJNTMJ-JTQLQIEISA-N 1 0 277.393 2.576 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCSc1nnc(C2CC2)s1 ZINC000083877919 540187540 /nfs/dbraw/zinc/18/75/40/540187540.db2.gz HLPQTKKNRSIZDY-SNVBAGLBSA-N 1 0 269.439 2.992 50 0 CFAARO Cc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2cnn(C)c2)s1 ZINC000084205554 540197482 /nfs/dbraw/zinc/19/74/82/540197482.db2.gz YGEFLFZURLWQLO-DOMZBBRYSA-N 1 0 291.420 2.657 50 0 CFAARO COC1(C[NH2+][C@H](C)c2ccsc2)CCOCC1 ZINC000090653218 540373460 /nfs/dbraw/zinc/37/34/60/540373460.db2.gz ALMADHRDWGBUOZ-LLVKDONJSA-N 1 0 255.383 2.594 50 0 CFAARO C[C@H]1Cc2ccc(C[NH3+])cc2N1C(=O)c1ccccc1 ZINC000045796031 291163555 /nfs/dbraw/zinc/16/35/55/291163555.db2.gz XXQFBERZRZQVNA-LBPRGKRZSA-N 1 0 266.344 2.737 50 0 CFAARO C[NH2+]Cc1cccc(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000296829280 200009045 /nfs/dbraw/zinc/00/90/45/200009045.db2.gz BABQHWBHQNDSLL-CYBMUJFWSA-N 1 0 296.461 2.583 50 0 CFAARO Cc1cnc(C)c(NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000169968002 540549833 /nfs/dbraw/zinc/54/98/33/540549833.db2.gz JQMYNXXJBURUIR-OAHLLOKOSA-N 1 0 288.370 2.947 50 0 CFAARO CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CCSCC1)O2 ZINC000095991152 540726298 /nfs/dbraw/zinc/72/62/98/540726298.db2.gz RNBSKAKMOHHRQL-HNFVBEJKSA-N 1 0 285.453 2.793 50 0 CFAARO CC[N@@H+]1CC[C@@H](Nc2ccc3n[nH]cc3c2)[C@H](C)C1 ZINC000095991596 540726568 /nfs/dbraw/zinc/72/65/68/540726568.db2.gz PDVOUWPOYAPCIJ-BXUZGUMPSA-N 1 0 258.369 2.705 50 0 CFAARO C/C(=C\C(=O)N1CCCC[C@@H]1C[NH3+])c1ccc(F)cc1 ZINC000178494512 189121128 /nfs/dbraw/zinc/12/11/28/189121128.db2.gz ZASGJOHHYVRDOL-HBIYDYFMSA-N 1 0 276.355 2.569 50 0 CFAARO C/C(=C\C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000178510778 189122166 /nfs/dbraw/zinc/12/21/66/189122166.db2.gz RWGJCIALKQDIJZ-UTSBKAFOSA-N 1 0 298.308 2.668 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000178540294 189125320 /nfs/dbraw/zinc/12/53/20/189125320.db2.gz SNACTQPBOMCDIV-CQSZACIVSA-N 1 0 296.370 2.900 50 0 CFAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)C1 ZINC000178585065 189128707 /nfs/dbraw/zinc/12/87/07/189128707.db2.gz UNFXXXWVHJSTSK-UXONFWTHSA-N 1 0 298.308 2.526 50 0 CFAARO CCC[N@@H+]1CC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000389285703 540941592 /nfs/dbraw/zinc/94/15/92/540941592.db2.gz VXEWYSLAYNUHOP-LBPRGKRZSA-N 1 0 256.353 2.526 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 ZINC000299738791 540983708 /nfs/dbraw/zinc/98/37/08/540983708.db2.gz GMOFEKNKSDFPGA-OCCSQVGLSA-N 1 0 294.826 2.858 50 0 CFAARO Cc1ccc(-n2ncnc2C[C@@H]2CCCC[N@H+]2C)cc1 ZINC000670439308 540994376 /nfs/dbraw/zinc/99/43/76/540994376.db2.gz SRELJGORUIKMCB-HNNXBMFYSA-N 1 0 270.380 2.603 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CN1CCCN(c2ccccc2)CC1 ZINC000670439113 540994927 /nfs/dbraw/zinc/99/49/27/540994927.db2.gz RRQQEADLXRZESG-SFHVURJKSA-N 1 0 287.451 2.683 50 0 CFAARO CCOC1CC[NH+]([C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000670458910 541002553 /nfs/dbraw/zinc/00/25/53/541002553.db2.gz UUGJFBUPSSHXQL-INIZCTEOSA-N 1 0 292.398 2.905 50 0 CFAARO c1cc(C2CC[NH+]([C@H]3CCN(c4ccccc4)C3)CC2)n[nH]1 ZINC000670440493 540995915 /nfs/dbraw/zinc/99/59/15/540995915.db2.gz MSPPISQWLBJBCW-KRWDZBQOSA-N 1 0 296.418 2.868 50 0 CFAARO CC(C)(O)[C@H]1CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000670450519 540998701 /nfs/dbraw/zinc/99/87/01/540998701.db2.gz LJORNOOYGCXQPU-ZDUSSCGKSA-N 1 0 258.365 2.761 50 0 CFAARO CC(C)c1nccc(C[N@H+](C)CCC2(O)CCCC2)n1 ZINC000670453285 541000498 /nfs/dbraw/zinc/00/04/98/541000498.db2.gz IFBPMYRYWBHKTM-UHFFFAOYSA-N 1 0 277.412 2.727 50 0 CFAARO CNC(=O)C[C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000670456233 541001498 /nfs/dbraw/zinc/00/14/98/541001498.db2.gz WELNYJDGKWPGDK-GFCCVEGCSA-N 1 0 288.416 2.859 50 0 CFAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCc1ccccc1 ZINC000670456399 541001694 /nfs/dbraw/zinc/00/16/94/541001694.db2.gz JSZHCWZBDQZJIM-FVQHAEBGSA-N 1 0 275.392 2.845 50 0 CFAARO CCC[N@@H+]1CCC[C@H](Nc2nnc(C(C)C)s2)C1 ZINC000670426625 540989649 /nfs/dbraw/zinc/98/96/49/540989649.db2.gz YSEIKHYOYVRGSB-NSHDSACASA-N 1 0 268.430 2.948 50 0 CFAARO Cc1n[nH]cc1C[N@@H+](C)Cc1ccnc2ccccc12 ZINC000670471163 541009941 /nfs/dbraw/zinc/00/99/41/541009941.db2.gz POYMFPJBIPUBFT-UHFFFAOYSA-N 1 0 266.348 2.898 50 0 CFAARO COCCCC1CC[NH+]([C@H](C)CCn2cccn2)CC1 ZINC000670472784 541011349 /nfs/dbraw/zinc/01/13/49/541011349.db2.gz KTVPFWJWWLSFMU-OAHLLOKOSA-N 1 0 279.428 2.800 50 0 CFAARO Cc1nc(C[NH2+][C@@H](CCO)C(C)(C)C)sc1C ZINC000183681284 189365611 /nfs/dbraw/zinc/36/56/11/189365611.db2.gz RCEDIJAHJSRQTK-NSHDSACASA-N 1 0 256.415 2.647 50 0 CFAARO O=C(CCC[NH+]1CCCC1)NC1(c2ccccc2)CC1 ZINC000073269560 283774982 /nfs/dbraw/zinc/77/49/82/283774982.db2.gz GYNORXCXLCBLQH-UHFFFAOYSA-N 1 0 272.392 2.668 50 0 CFAARO O=C1OCC2(CC[NH+](Cc3cccc4cc[nH]c43)CC2)O1 ZINC000216147670 189701180 /nfs/dbraw/zinc/70/11/80/189701180.db2.gz FUPDLRNMDNQYBZ-UHFFFAOYSA-N 1 0 286.331 2.669 50 0 CFAARO C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000227811174 189788311 /nfs/dbraw/zinc/78/83/11/189788311.db2.gz PZBZUIKGUJWUQW-JFGNBEQYSA-N 1 0 282.334 2.612 50 0 CFAARO [NH3+]C[C@@H](NC(=O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000236262633 189833624 /nfs/dbraw/zinc/83/36/24/189833624.db2.gz YRVAXWWCPDZPGX-CYBMUJFWSA-N 1 0 284.762 2.726 50 0 CFAARO CC1(C)C(c2ccc(Cl)cc2)[N+](=O)C(C)(C)N1O ZINC000000201502 371556235 /nfs/dbraw/zinc/55/62/35/371556235.db2.gz REQWGXMITDWFLA-UHFFFAOYSA-N 1 0 268.744 2.859 50 0 CFAARO COc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)cc1 ZINC000000052576 371518350 /nfs/dbraw/zinc/51/83/50/371518350.db2.gz WQQYCJZSFNAKSC-UHFFFAOYSA-N 1 0 276.380 2.756 50 0 CFAARO CC(C)[C@@H]([NH3+])C(O)(c1ccccc1)c1ccccc1 ZINC000000084967 371526792 /nfs/dbraw/zinc/52/67/92/371526792.db2.gz LNQVZZGGOZBOQS-MRXNPFEDSA-N 1 0 255.361 2.906 50 0 CFAARO C[NH+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000000134434 371540180 /nfs/dbraw/zinc/54/01/80/371540180.db2.gz PRJKISUGFXPPMT-ZDUSSCGKSA-N 1 0 268.360 2.717 50 0 CFAARO CCc1ccc2[nH]c(C(=O)NCC[NH+]3CCCCC3)cc2c1 ZINC000000171607 371547565 /nfs/dbraw/zinc/54/75/65/371547565.db2.gz MCEMVGUAWZFYIO-UHFFFAOYSA-N 1 0 299.418 2.946 50 0 CFAARO COc1ccc([C@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1 ZINC000000187155 371553362 /nfs/dbraw/zinc/55/33/62/371553362.db2.gz ADGBENJAAOINKA-CVEARBPZSA-N 1 0 277.364 2.595 50 0 CFAARO C[NH+](C)CCC(O)(c1ccccc1)c1ccccc1 ZINC000000189717 371554248 /nfs/dbraw/zinc/55/42/48/371554248.db2.gz MUMQBHMGYFNLPO-UHFFFAOYSA-N 1 0 255.361 2.874 50 0 CFAARO COc1ccc(CC[C@H]2[NH2+]CCn3cccc32)cc1OC ZINC000000214203 371560503 /nfs/dbraw/zinc/56/05/03/371560503.db2.gz NJRYNDBBAVJNQY-CQSZACIVSA-N 1 0 286.375 2.782 50 0 CFAARO Cc1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000000241163 371566798 /nfs/dbraw/zinc/56/67/98/371566798.db2.gz NBRMOKWQGYRWBP-UHFFFAOYSA-N 1 0 267.376 2.712 50 0 CFAARO C[C@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(F)cc1 ZINC000000249849 371570456 /nfs/dbraw/zinc/57/04/56/371570456.db2.gz UYXWPHIFLIFNDH-CYBMUJFWSA-N 1 0 295.354 2.622 50 0 CFAARO COc1ccccc1[C@H](CC[NH3+])c1ccc2c(c1)OCO2 ZINC000000287378 371578302 /nfs/dbraw/zinc/57/83/02/371578302.db2.gz FHGHTNBXSCDDCP-CYBMUJFWSA-N 1 0 285.343 2.905 50 0 CFAARO CC(C)C[NH2+][C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000000342305 371591314 /nfs/dbraw/zinc/59/13/14/371591314.db2.gz FOUVEFZJBORYFX-OAHLLOKOSA-N 1 0 288.391 2.688 50 0 CFAARO O[C@@]1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCC2 ZINC000000425734 371611032 /nfs/dbraw/zinc/61/10/32/371611032.db2.gz HIHVFBIPSUUBRO-LJQANCHMSA-N 1 0 293.390 2.947 50 0 CFAARO O=C(C[NH+]1CCCCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000000491143 371630286 /nfs/dbraw/zinc/63/02/86/371630286.db2.gz UCMSWPOWKRPXIV-UHFFFAOYSA-N 1 0 297.402 2.539 50 0 CFAARO COc1ccc(C(=O)O[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000000497650 371631569 /nfs/dbraw/zinc/63/15/69/371631569.db2.gz DXLIAGZRNHJCQN-SLEUVZQESA-N 1 0 277.364 2.581 50 0 CFAARO CCN1CCC([NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000000802059 371651035 /nfs/dbraw/zinc/65/10/35/371651035.db2.gz STSCZGKZJLZTPR-CYBMUJFWSA-N 1 0 262.397 2.830 50 0 CFAARO CCN(C)C(=O)Oc1cccc([C@@H](C)[NH+](C)C)c1 ZINC000000967938 371655010 /nfs/dbraw/zinc/65/50/10/371655010.db2.gz XSVMFMHYUFZWBK-LLVKDONJSA-N 1 0 250.342 2.760 50 0 in-vitro CFAARO COc1cc2cccnc2c(N[C@@H](C)CCC[NH3+])c1 ZINC000001530862 371679708 /nfs/dbraw/zinc/67/97/08/371679708.db2.gz INDBQLZJXZLFIT-NSHDSACASA-N 1 0 259.353 2.783 50 0 fda CFAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1cccnc1 ZINC000002573293 371738690 /nfs/dbraw/zinc/73/86/90/371738690.db2.gz CXRBEIYAJRAXGL-UHFFFAOYSA-N 1 0 251.333 2.895 50 0 CFAARO Fc1ccc(CC[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000001846734 371708751 /nfs/dbraw/zinc/70/87/51/371708751.db2.gz GIHYLDHKZINEEO-UHFFFAOYSA-N 1 0 273.307 2.887 50 0 CFAARO C[N@H+](CCOC(=O)/C=C/c1ccco1)C(C)(C)C ZINC000001834980 371708903 /nfs/dbraw/zinc/70/89/03/371708903.db2.gz ISVFMURJLARZKZ-BQYQJAHWSA-N 1 0 251.326 2.566 50 0 CFAARO CCOCC[N@@H+]1CC[C@@H](OC(=O)c2ccccc2)[C@H](C)C1 ZINC000001876880 371710546 /nfs/dbraw/zinc/71/05/46/371710546.db2.gz WMAVWZGHPBTWHI-GDBMZVCRSA-N 1 0 291.391 2.590 50 0 CFAARO COc1ccc(OCC[NH2+]Cc2ccccc2)cc1 ZINC000002555590 371736260 /nfs/dbraw/zinc/73/62/60/371736260.db2.gz PQXVVWVAONGGBU-UHFFFAOYSA-N 1 0 257.333 2.864 50 0 CFAARO CC(C)(C)[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000002686857 371746680 /nfs/dbraw/zinc/74/66/80/371746680.db2.gz UHWMGYFMHQHWPW-ZDUSSCGKSA-N 1 0 271.788 2.606 50 0 CFAARO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000002696092 371746839 /nfs/dbraw/zinc/74/68/39/371746839.db2.gz MYCZMPJQZOSEFK-SFHVURJKSA-N 1 0 297.398 2.793 50 0 CFAARO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)C[NH+](C)C ZINC000002824286 371756303 /nfs/dbraw/zinc/75/63/03/371756303.db2.gz BIPFMLQJRQXMPR-ZDUSSCGKSA-N 1 0 276.424 2.912 50 0 CFAARO Cc1cc(Cl)cc(C)c1OCCOCC[NH+](C)C ZINC000003002031 371769161 /nfs/dbraw/zinc/76/91/61/371769161.db2.gz KLCSJCGCGGVQNG-UHFFFAOYSA-N 1 0 271.788 2.914 50 0 CFAARO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000003254038 371785481 /nfs/dbraw/zinc/78/54/81/371785481.db2.gz HOTLIFUDQTYBKZ-HZPDHXFCSA-N 1 0 277.408 2.918 50 0 CFAARO O=C(C[NH2+]C1CCCCC1)Nc1cccc(F)c1 ZINC000003289635 371786782 /nfs/dbraw/zinc/78/67/82/371786782.db2.gz PTVCYWHMWZGWDX-UHFFFAOYSA-N 1 0 250.317 2.687 50 0 CFAARO COc1ccccc1/C=C/C(=O)OCC[N@H+](C)C(C)C ZINC000004029243 371829282 /nfs/dbraw/zinc/82/92/82/371829282.db2.gz NKWMRMIKUXTMPD-MDZDMXLPSA-N 1 0 277.364 2.592 50 0 CFAARO C[C@@H](C[NH+]1CCC(C)CC1)OC(=O)c1ccco1 ZINC000003648570 371814231 /nfs/dbraw/zinc/81/42/31/371814231.db2.gz WXZYQONZXMROSU-LBPRGKRZSA-N 1 0 251.326 2.557 50 0 CFAARO CC(C)(C)[NH2+]CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004011500 371827905 /nfs/dbraw/zinc/82/79/05/371827905.db2.gz IFBVJUOBGAOLQH-UHFFFAOYSA-N 1 0 278.440 2.707 50 0 CFAARO CC[n+]1ccccc1/C=C/c1ccc2c(c1)OCO2 ZINC000004774999 371875476 /nfs/dbraw/zinc/87/54/76/371875476.db2.gz LRWKEDJMOANUIZ-SOFGYWHQSA-N 1 0 254.309 2.893 50 0 CFAARO C[NH+](C)C1(CNC(=O)Cc2ccccc2)CCCCC1 ZINC000012062469 371942327 /nfs/dbraw/zinc/94/23/27/371942327.db2.gz DSUHTIZSVBBKID-UHFFFAOYSA-N 1 0 274.408 2.610 50 0 CFAARO O=C(C[NH+]1CCCC1)Nc1ccc(N2CCCCC2)cc1 ZINC000007588721 371894468 /nfs/dbraw/zinc/89/44/68/371894468.db2.gz OQSKINILJBHKBX-UHFFFAOYSA-N 1 0 287.407 2.711 50 0 CFAARO Cc1ccc([C@@H](CNC(=O)c2ccco2)[NH+](C)C)cc1 ZINC000010328900 371906082 /nfs/dbraw/zinc/90/60/82/371906082.db2.gz ILSPNQIFQCMAIV-CQSZACIVSA-N 1 0 272.348 2.621 50 0 CFAARO CCOc1ccc(C[NH2+][C@@H](CC)CO)cc1Cl ZINC000010474325 371909444 /nfs/dbraw/zinc/90/94/44/371909444.db2.gz AABJZMQAVOSKNE-NSHDSACASA-N 1 0 257.761 2.599 50 0 CFAARO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000011754532 371926876 /nfs/dbraw/zinc/92/68/76/371926876.db2.gz JTHMFSXEWSWFTE-VIFPVBQESA-N 1 0 259.136 2.684 50 0 CFAARO COc1cccc(C(=O)O[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000012436818 371965135 /nfs/dbraw/zinc/96/51/35/371965135.db2.gz GZVRRJMREYBBIV-YWPYICTPSA-N 1 0 277.364 2.581 50 0 CFAARO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]1 ZINC000012481413 371966804 /nfs/dbraw/zinc/96/68/04/371966804.db2.gz JTHMFSXEWSWFTE-SECBINFHSA-N 1 0 259.136 2.684 50 0 CFAARO C[C@@H](C(=O)NC1CC1)[NH+]1CCC(c2ccccc2)CC1 ZINC000012946849 372001726 /nfs/dbraw/zinc/00/17/26/372001726.db2.gz PEVDEGBJZLCZDJ-ZDUSSCGKSA-N 1 0 272.392 2.533 50 0 CFAARO Cc1ccc(CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000012945362 372001751 /nfs/dbraw/zinc/00/17/51/372001751.db2.gz RHLYVGUFDBCXFV-UHFFFAOYSA-N 1 0 274.408 2.527 50 0 CFAARO C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)CC1 ZINC000012538898 371971570 /nfs/dbraw/zinc/97/15/70/371971570.db2.gz UTIJFSFPBFGGEF-HNNXBMFYSA-N 1 0 299.418 2.733 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccccc1F ZINC000012618434 371977944 /nfs/dbraw/zinc/97/79/44/371977944.db2.gz YTDYZSCOKRCAOU-JKSUJKDBSA-N 1 0 295.398 2.968 50 0 CFAARO C[NH+](C)C1(CNC(=O)Nc2cccnc2)CCCCCC1 ZINC000012594694 371977988 /nfs/dbraw/zinc/97/79/88/371977988.db2.gz OZFBXFRSSLKDQL-UHFFFAOYSA-N 1 0 290.411 2.858 50 0 CFAARO CC(C)CC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000012348331 371952480 /nfs/dbraw/zinc/95/24/80/371952480.db2.gz OUUXPYPOQUETHI-LBPRGKRZSA-N 1 0 254.399 2.513 50 0 CFAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000013305048 372021606 /nfs/dbraw/zinc/02/16/06/372021606.db2.gz NQORPPOOEJKAEV-HLLBOEOZSA-N 1 0 277.408 2.827 50 0 CFAARO C[NH+](C)CCCNC(=O)CCCOc1ccc(Cl)cc1 ZINC000013595996 372034551 /nfs/dbraw/zinc/03/45/51/372034551.db2.gz VTDODXFVWCEZGL-UHFFFAOYSA-N 1 0 298.814 2.567 50 0 CFAARO Cc1cccc(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000013671094 372039276 /nfs/dbraw/zinc/03/92/76/372039276.db2.gz NWTMOEVOUDAYEO-UHFFFAOYSA-N 1 0 274.408 2.847 50 0 CFAARO CCOc1ccc(C[NH2+]CCCOC(C)C)cc1 ZINC000013717957 372043214 /nfs/dbraw/zinc/04/32/14/372043214.db2.gz SINMTECAMMGHJA-UHFFFAOYSA-N 1 0 251.370 2.990 50 0 CFAARO C[NH+]1CCC(NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000013775534 372049467 /nfs/dbraw/zinc/04/94/67/372049467.db2.gz FNYYURFVBIVQDH-UHFFFAOYSA-N 1 0 283.828 2.721 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1Cn1sc2ccccc2c1=O ZINC000013833683 372051932 /nfs/dbraw/zinc/05/19/32/372051932.db2.gz IOHBIRVTJUGAEU-LLVKDONJSA-N 1 0 262.378 2.547 50 0 CFAARO CC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)Cc1ccccc1 ZINC000014020538 372056395 /nfs/dbraw/zinc/05/63/95/372056395.db2.gz XWWYHYYVCQVRRY-AWEZNQCLSA-N 1 0 287.363 2.832 50 0 CFAARO Cc1csc(NC(=O)c2ccc(C[NH+](C)C)cc2)n1 ZINC000012996072 372009660 /nfs/dbraw/zinc/00/96/60/372009660.db2.gz DZHOLRCCNCASEB-UHFFFAOYSA-N 1 0 275.377 2.765 50 0 CFAARO Cc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000013019821 372011516 /nfs/dbraw/zinc/01/15/16/372011516.db2.gz REXYXXDDELDRTC-UHFFFAOYSA-N 1 0 260.381 2.598 50 0 CFAARO NC(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000016384650 372105505 /nfs/dbraw/zinc/10/55/05/372105505.db2.gz ACRJNLXCIUGDOX-CQSZACIVSA-N 1 0 292.429 2.633 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2csc(C)c2)CC1 ZINC000016580692 372111739 /nfs/dbraw/zinc/11/17/39/372111739.db2.gz VOLLIUJMPMNLLM-UHFFFAOYSA-N 1 0 266.410 2.661 50 0 CFAARO CCC[NH+]1CCC(NC(=O)c2ccc(CC)cc2)CC1 ZINC000016579877 372111942 /nfs/dbraw/zinc/11/19/42/372111942.db2.gz DADOTNMFASHJFU-UHFFFAOYSA-N 1 0 274.408 2.853 50 0 CFAARO C[NH+]1CCC(NC(=O)CCC2CCCCC2)CC1 ZINC000016580827 372112072 /nfs/dbraw/zinc/11/20/72/372112072.db2.gz KIFSBOIPCGVXEE-UHFFFAOYSA-N 1 0 252.402 2.557 50 0 CFAARO Nc1cccc(Cl)c1OCC[NH+]1CCCCC1 ZINC000014629221 372071237 /nfs/dbraw/zinc/07/12/37/372071237.db2.gz WEXFBUSZOWANHQ-UHFFFAOYSA-N 1 0 254.761 2.787 50 0 CFAARO Fc1cc(Br)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000014631335 372072690 /nfs/dbraw/zinc/07/26/90/372072690.db2.gz ZSTNNLOBUGKBRG-VIFPVBQESA-N 1 0 288.160 2.967 50 0 CFAARO C[NH2+]CC[C@@H]1CCC(=O)N1CCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000014987220 372076817 /nfs/dbraw/zinc/07/68/17/372076817.db2.gz FNXHCEWVPUYZIF-JYJNAYRXSA-N 1 0 290.451 2.969 50 0 CFAARO COc1ccc([C@@H]2[NH2+]CC[C@]3(O)CCCC[C@@H]23)c(OC)c1 ZINC000016042996 372097727 /nfs/dbraw/zinc/09/77/27/372097727.db2.gz HKAXPSOXPITRAT-BHYGNILZSA-N 1 0 291.391 2.660 50 0 CFAARO COc1ccc(CC[NH2+]Cc2ccco2)cc1OC ZINC000019721105 372180854 /nfs/dbraw/zinc/18/08/54/372180854.db2.gz OTIITASUGSGVSA-UHFFFAOYSA-N 1 0 261.321 2.629 50 0 CFAARO COc1cccc(OCc2cc(C[NH3+])ccc2F)c1 ZINC000019407108 372160030 /nfs/dbraw/zinc/16/00/30/372160030.db2.gz ITQUXUDNITYKNJ-UHFFFAOYSA-N 1 0 261.296 2.872 50 0 CFAARO C[NH2+][C@H](C(=O)N(C)Cc1ccsc1)c1cccs1 ZINC000019595299 372175377 /nfs/dbraw/zinc/17/53/77/372175377.db2.gz XOLAKSGAECDMCK-LBPRGKRZSA-N 1 0 280.418 2.729 50 0 CFAARO CCN(CC[NH+](C)C)Cc1ccccc1Br ZINC000019634536 372177860 /nfs/dbraw/zinc/17/78/60/372177860.db2.gz KRTMJGFUOSPSDQ-UHFFFAOYSA-N 1 0 285.229 2.833 50 0 CFAARO O=C(C[NH2+]C1CCCC1)Nc1cccc(Cl)c1 ZINC000020037082 372221535 /nfs/dbraw/zinc/22/15/35/372221535.db2.gz LNMPZCHRGGWVHU-UHFFFAOYSA-N 1 0 252.745 2.811 50 0 CFAARO CCOCCOc1ccc(C[NH2+][C@@H](C)CC)cc1 ZINC000019738553 372183653 /nfs/dbraw/zinc/18/36/53/372183653.db2.gz FQDXWIWDXOYPLZ-ZDUSSCGKSA-N 1 0 251.370 2.990 50 0 CFAARO CCOCCOc1ccc(C[NH2+][C@H](C)CC)cc1 ZINC000019738554 372183843 /nfs/dbraw/zinc/18/38/43/372183843.db2.gz FQDXWIWDXOYPLZ-CYBMUJFWSA-N 1 0 251.370 2.990 50 0 CFAARO Fc1cccc(OC2CC[NH+](CCn3cccn3)CC2)c1 ZINC000019791158 372188054 /nfs/dbraw/zinc/18/80/54/372188054.db2.gz VDTZEHHRDDBELI-UHFFFAOYSA-N 1 0 289.354 2.566 50 0 CFAARO C[C@H]1CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000019836134 372193422 /nfs/dbraw/zinc/19/34/22/372193422.db2.gz YWECAFLAZAOMNB-HNNXBMFYSA-N 1 0 286.419 2.693 50 0 CFAARO COC[C@@H](C)[NH2+]Cc1cc(Br)ccc1F ZINC000019904303 372206084 /nfs/dbraw/zinc/20/60/84/372206084.db2.gz YDUMBBJWUHLIPT-MRVPVSSYSA-N 1 0 276.149 2.713 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)Cc1ccsc1)c1ccccc1 ZINC000025316159 372295004 /nfs/dbraw/zinc/29/50/04/372295004.db2.gz OBPQSAWCRPWRJS-OAHLLOKOSA-N 1 0 288.416 2.710 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccsc1)c1ccsc1 ZINC000025330712 372297643 /nfs/dbraw/zinc/29/76/43/372297643.db2.gz HPGMVMFZMUVDCN-LBPRGKRZSA-N 1 0 280.418 2.842 50 0 CFAARO Cc1cc(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2)no1 ZINC000025397968 372298520 /nfs/dbraw/zinc/29/85/20/372298520.db2.gz AUJPVRBMNPZGKR-JTQLQIEISA-N 1 0 293.754 2.926 50 0 CFAARO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000022935903 372248809 /nfs/dbraw/zinc/24/88/09/372248809.db2.gz SOSKTAAFCABETK-CQSZACIVSA-N 1 0 252.789 2.914 50 0 CFAARO Cn1cc(C[N@H+](C)Cc2cccc3cccnc32)cn1 ZINC000025434927 372300671 /nfs/dbraw/zinc/30/06/71/372300671.db2.gz DDXZJLUGNLHVMH-UHFFFAOYSA-N 1 0 266.348 2.600 50 0 CFAARO COc1ccc(C[C@H](C)[NH2+]CCc2ccccn2)cc1 ZINC000023280056 372255966 /nfs/dbraw/zinc/25/59/66/372255966.db2.gz XZBAXGRIGFYNJJ-AWEZNQCLSA-N 1 0 270.376 2.854 50 0 CFAARO COc1ccc(CC[C@@H](C)[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000023282495 372258293 /nfs/dbraw/zinc/25/82/93/372258293.db2.gz OZBWKDNYLWENKI-GDBMZVCRSA-N 1 0 277.408 2.721 50 0 CFAARO COc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000023283089 372258774 /nfs/dbraw/zinc/25/87/74/372258774.db2.gz LEPUZRCLBVGYSD-UHFFFAOYSA-N 1 0 253.345 2.952 50 0 CFAARO CCCCNC(=S)NC[C@H](c1cccs1)[NH+](C)C ZINC000023776169 372266215 /nfs/dbraw/zinc/26/62/15/372266215.db2.gz YBBKLNUKUUGQHA-LLVKDONJSA-N 1 0 285.482 2.615 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(F)cc1)c1cccs1 ZINC000024991055 372287351 /nfs/dbraw/zinc/28/73/51/372287351.db2.gz CYXWIKSOIGYLHW-ZDUSSCGKSA-N 1 0 292.379 2.920 50 0 CFAARO CCOc1cccc2sc(NCC[NH+](C)C)nc21 ZINC000026424008 372319058 /nfs/dbraw/zinc/31/90/58/372319058.db2.gz RAWGBORUYVIKKS-UHFFFAOYSA-N 1 0 265.382 2.669 50 0 CFAARO CSc1ccc(C[N@H+](C)CCC(=O)NC2CC2)cc1 ZINC000026901445 372330390 /nfs/dbraw/zinc/33/03/90/372330390.db2.gz JKOFOCGGDMWQER-UHFFFAOYSA-N 1 0 278.421 2.509 50 0 CFAARO c1cnc2c(c1)cccc2C[NH+]1CCC2(CC1)OCCO2 ZINC000026935770 372333427 /nfs/dbraw/zinc/33/34/27/372333427.db2.gz VXEYXDZYYMHWDC-UHFFFAOYSA-N 1 0 284.359 2.574 50 0 CFAARO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c1ccco1 ZINC000027135149 372335088 /nfs/dbraw/zinc/33/50/88/372335088.db2.gz RVQXOCUAEIUFDP-NEPJUHHUSA-N 1 0 266.385 2.823 50 0 CFAARO CC(C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000027582213 372343478 /nfs/dbraw/zinc/34/34/78/372343478.db2.gz GYPIUEYYLCKHEI-LBPRGKRZSA-N 1 0 266.410 2.657 50 0 CFAARO Cc1occc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000027677298 372347232 /nfs/dbraw/zinc/34/72/32/372347232.db2.gz QZAVXZZTYDMRJK-LBPRGKRZSA-N 1 0 278.377 2.682 50 0 CFAARO CC[N@H+](Cc1cc(=O)oc2c(C)c(O)ccc12)C1CC1 ZINC000029912862 372387789 /nfs/dbraw/zinc/38/77/89/372387789.db2.gz NQDIWOUWWQNFFK-UHFFFAOYSA-N 1 0 273.332 2.791 50 0 CFAARO Brc1ccc(COC[C@H]2CCC[NH2+]C2)cc1 ZINC000028521974 372365894 /nfs/dbraw/zinc/36/58/94/372365894.db2.gz IBWRVTGYAMPRFC-LBPRGKRZSA-N 1 0 284.197 2.965 50 0 CFAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000032912065 372475616 /nfs/dbraw/zinc/47/56/16/372475616.db2.gz KNKPLDFMIFQOOA-MRXNPFEDSA-N 1 0 272.392 2.567 50 0 CFAARO NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000032935675 372479415 /nfs/dbraw/zinc/47/94/15/372479415.db2.gz UGVXQAOAESXCAF-AWEZNQCLSA-N 1 0 297.402 2.720 50 0 CFAARO O=C(Nc1cccc(OC2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000032141506 372432103 /nfs/dbraw/zinc/43/21/03/372432103.db2.gz RFYDLJCTMXWPKN-ZDUSSCGKSA-N 1 0 288.391 2.946 50 0 CFAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccccc1 ZINC000032143152 372432161 /nfs/dbraw/zinc/43/21/61/372432161.db2.gz YJZJJYCAVJUAPY-BBRMVZONSA-N 1 0 289.350 2.916 50 0 CFAARO CC(C)[C@H]1CN(C)CC[N@@H+]1CCCc1ccccc1 ZINC000032547820 372444576 /nfs/dbraw/zinc/44/45/76/372444576.db2.gz MINAIMVEJNPQTB-QGZVFWFLSA-N 1 0 260.425 2.891 50 0 CFAARO CC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616956 372450555 /nfs/dbraw/zinc/45/05/55/372450555.db2.gz QDPUXHAHFOTKSI-UHFFFAOYSA-N 1 0 295.346 2.564 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccsc1)c1cccc(F)c1 ZINC000032729069 372457436 /nfs/dbraw/zinc/45/74/36/372457436.db2.gz MPYWSWQCSFFAML-AWEZNQCLSA-N 1 0 292.379 2.920 50 0 CFAARO O=C(CC[NH+]1CCC(O)CC1)Nc1cccc2ccccc21 ZINC000032870811 372469762 /nfs/dbraw/zinc/46/97/62/372469762.db2.gz VIMBNDQCBAIFHD-UHFFFAOYSA-N 1 0 298.386 2.625 50 0 CFAARO COc1nc(C)nc2c(C[NH+]3CCCCC3)c(C)[nH]c21 ZINC000033286253 372487704 /nfs/dbraw/zinc/48/77/04/372487704.db2.gz XARCRINHQUEWHP-UHFFFAOYSA-N 1 0 274.368 2.569 50 0 CFAARO CC1([NH3+])CN(C(c2ccccc2)c2ccccc2)C1 ZINC000034084399 372503666 /nfs/dbraw/zinc/50/36/66/372503666.db2.gz FFUOJTXKVPVKGT-UHFFFAOYSA-N 1 0 252.361 2.809 50 0 CFAARO O=C(NCC(c1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000034530257 372509654 /nfs/dbraw/zinc/50/96/54/372509654.db2.gz FILLJMGKNWEJJW-SFHVURJKSA-N 1 0 294.398 2.687 50 0 CFAARO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000035010746 372527031 /nfs/dbraw/zinc/52/70/31/372527031.db2.gz ISLCKOUDKRMBED-SNVBAGLBSA-N 1 0 282.334 2.626 50 0 CFAARO CC[NH+]1CCC2(CC1)NCCc1c3cc(OC)ccc3[nH]c12 ZINC000035373024 372550422 /nfs/dbraw/zinc/55/04/22/372550422.db2.gz XJKMLZDJTHARRX-UHFFFAOYSA-N 1 0 299.418 2.633 50 0 CFAARO Cc1ccc(C(=O)NCCC(C)C)c(C2CC[NH2+]CC2)n1 ZINC000035824579 372551614 /nfs/dbraw/zinc/55/16/14/372551614.db2.gz NQXDCFYYEKYLIE-UHFFFAOYSA-N 1 0 289.423 2.633 50 0 CFAARO Cc1ccc([C@@H](CNC(=O)C(C)(C)C)[NH+](C)C)cc1 ZINC000036091069 372556252 /nfs/dbraw/zinc/55/62/52/372556252.db2.gz LVBJHNQAFTVHOR-CQSZACIVSA-N 1 0 262.397 2.760 50 0 CFAARO CCC[N@@H+](Cc1ccco1)C[C@@H](O)COCc1ccco1 ZINC000036096504 372557925 /nfs/dbraw/zinc/55/79/25/372557925.db2.gz UHROGBPJPVOWDD-CQSZACIVSA-N 1 0 293.363 2.662 50 0 CFAARO CCC[N@@H+](Cc1ccc(C)o1)C[C@@H](O)COC(C)(C)C ZINC000036097898 372558987 /nfs/dbraw/zinc/55/89/87/372558987.db2.gz CGRWRZXDDBJZEC-CQSZACIVSA-N 1 0 283.412 2.976 50 0 CFAARO Cc1ccc(C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C)o1 ZINC000036097717 372559296 /nfs/dbraw/zinc/55/92/96/372559296.db2.gz XGMJGROMQXELBE-OAHLLOKOSA-N 1 0 283.412 2.832 50 0 CFAARO CCOCC[NH2+]Cc1ccccc1Br ZINC000036228866 372568664 /nfs/dbraw/zinc/56/86/64/372568664.db2.gz UKBWNKXUXGTBRV-UHFFFAOYSA-N 1 0 258.159 2.575 50 0 CFAARO C[C@@H](NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccs1 ZINC000036489983 372580940 /nfs/dbraw/zinc/58/09/40/372580940.db2.gz YRHUUZVOZRYUGB-JHJVBQTASA-N 1 0 280.437 2.903 50 0 CFAARO CCC[NH+](CCC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000036744598 372589133 /nfs/dbraw/zinc/58/91/33/372589133.db2.gz DBFXLOMVRWMLNS-UHFFFAOYSA-N 1 0 292.379 2.518 50 0 CFAARO CC[C@@H]([NH3+])C(=O)NC(C)(C)c1ccc(Br)cc1 ZINC000037004740 372627864 /nfs/dbraw/zinc/62/78/64/372627864.db2.gz HCESOXYDVYLVCL-LLVKDONJSA-N 1 0 299.212 2.538 50 0 CFAARO CN(Cc1ccc(C[NH3+])cc1)C(=O)OC(C)(C)C ZINC000037757795 372700281 /nfs/dbraw/zinc/70/02/81/372700281.db2.gz FXWZLSMMROZOGP-UHFFFAOYSA-N 1 0 250.342 2.512 50 0 CFAARO CCOc1ccccc1CNC[C@H]1CC[N@H+](CC)C1 ZINC000037643761 372677857 /nfs/dbraw/zinc/67/78/57/372677857.db2.gz XXBFMXFXKNDVMH-CQSZACIVSA-N 1 0 262.397 2.517 50 0 CFAARO [NH3+]CCCCCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000040852560 372795365 /nfs/dbraw/zinc/79/53/65/372795365.db2.gz OOSVBLYZHNMBFW-UHFFFAOYSA-N 1 0 287.407 2.736 50 0 CFAARO CC(C)Oc1c(Cl)cc(C[NH2+]CCO)cc1Cl ZINC000040730649 372784963 /nfs/dbraw/zinc/78/49/63/372784963.db2.gz VEDCPFBKVYMZTJ-UHFFFAOYSA-N 1 0 278.179 2.863 50 0 CFAARO Cn1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1=O ZINC000042113039 372874522 /nfs/dbraw/zinc/87/45/22/372874522.db2.gz JUCLCZNTAPICLQ-KRWDZBQOSA-N 1 0 282.387 2.592 50 0 CFAARO Cn1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1=O ZINC000042112899 372874723 /nfs/dbraw/zinc/87/47/23/372874723.db2.gz GDWLZMWQWDYUIC-UHFFFAOYSA-N 1 0 296.414 2.840 50 0 CFAARO CSCc1cccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000042506260 372928677 /nfs/dbraw/zinc/92/86/77/372928677.db2.gz IYZHWBXITGNXEX-CYBMUJFWSA-N 1 0 292.448 2.764 50 0 CFAARO C[C@@H](CC(=O)NC[C@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000042502877 372929320 /nfs/dbraw/zinc/92/93/20/372929320.db2.gz UASAEECTNMCYBX-GJZGRUSLSA-N 1 0 274.408 2.781 50 0 CFAARO C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCCC1)c1ccccc1 ZINC000042502875 372929529 /nfs/dbraw/zinc/92/95/29/372929529.db2.gz UASAEECTNMCYBX-HUUCEWRRSA-N 1 0 274.408 2.781 50 0 CFAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2c(F)cccc2Cl)C1 ZINC000046861278 373065741 /nfs/dbraw/zinc/06/57/41/373065741.db2.gz CRCGKLCUAMUVEH-LLVKDONJSA-N 1 0 298.789 2.941 50 0 CFAARO COc1cccc([C@@H](C)Nc2cc([C@H]3C[C@H]([NH3+])C3)ncn2)c1 ZINC000244763840 189911727 /nfs/dbraw/zinc/91/17/27/189911727.db2.gz OWJCPZBVJIFVNI-MRVWCRGKSA-N 1 0 298.390 2.863 50 0 CFAARO O[C@H](C[NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000047496134 373098235 /nfs/dbraw/zinc/09/82/35/373098235.db2.gz SHCJQHYDVDLDJK-MRXNPFEDSA-N 1 0 299.370 2.671 50 0 CFAARO COC(=O)[C@H]1CC[NH2+][C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004237810 284376537 /nfs/dbraw/zinc/37/65/37/284376537.db2.gz LBFZVPWKURKLJQ-KWQFWETISA-N 1 0 274.147 2.817 50 0 CFAARO Cc1occc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000048325225 373162970 /nfs/dbraw/zinc/16/29/70/373162970.db2.gz RDVYKKJPSXVWTG-UHFFFAOYSA-N 1 0 264.369 2.584 50 0 CFAARO C[C@H]([NH2+]Cc1cccn1C)c1ccc2c(c1)OCCO2 ZINC000049137667 373273680 /nfs/dbraw/zinc/27/36/80/373273680.db2.gz BRUYEHHATAALIJ-LBPRGKRZSA-N 1 0 272.348 2.647 50 0 CFAARO CC(C)(C)c1ncc(C(=O)NCC[NH+]2CCCCC2)s1 ZINC000049033455 373253871 /nfs/dbraw/zinc/25/38/71/373253871.db2.gz HTGBLKTYIYWJBJ-UHFFFAOYSA-N 1 0 295.452 2.656 50 0 CFAARO C[C@@H](c1ccc2ccccc2c1)[N@H+](CC(N)=O)C1CC1 ZINC000049333254 373288089 /nfs/dbraw/zinc/28/80/89/373288089.db2.gz LTDQNIHEWAZBEI-LBPRGKRZSA-N 1 0 268.360 2.851 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccco1)c1cccs1 ZINC000049488266 373303328 /nfs/dbraw/zinc/30/33/28/373303328.db2.gz APHOGGVXWRDQRQ-SBDDDAINSA-N 1 0 290.388 2.773 50 0 CFAARO FC(F)(F)c1cnc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000051872861 373415504 /nfs/dbraw/zinc/41/55/04/373415504.db2.gz CLGJXWYFGCLJIF-QMMMGPOBSA-N 1 0 280.677 2.885 50 0 CFAARO c1ccc2oc(N3CC[N@H+]4CCCC[C@@H]4C3)nc2c1 ZINC000051917416 373417922 /nfs/dbraw/zinc/41/79/22/373417922.db2.gz IPCYRQPQZZUKMW-GFCCVEGCSA-N 1 0 257.337 2.502 50 0 CFAARO COc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC000051925019 373420884 /nfs/dbraw/zinc/42/08/84/373420884.db2.gz WPZQGBVHLHMLTJ-UHFFFAOYSA-N 1 0 274.408 2.755 50 0 CFAARO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)ccc1OC(C)C ZINC000051993776 373425133 /nfs/dbraw/zinc/42/51/33/373425133.db2.gz RHEBSILYJKPIPF-GJZGRUSLSA-N 1 0 293.407 2.876 50 0 CFAARO OCCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000052213969 373441631 /nfs/dbraw/zinc/44/16/31/373441631.db2.gz HUPCYXMAKSZWKI-CYBMUJFWSA-N 1 0 284.197 2.968 50 0 CFAARO Cc1ccccc1CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000052555660 373446058 /nfs/dbraw/zinc/44/60/58/373446058.db2.gz DXIOTIZDNBXLFA-GOSISDBHSA-N 1 0 296.414 2.957 50 0 CFAARO C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000054152520 373503087 /nfs/dbraw/zinc/50/30/87/373503087.db2.gz YKCUCNYNFZYWRV-UHFFFAOYSA-N 1 0 285.391 2.730 50 0 CFAARO C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH2+]1 ZINC000054186791 373504758 /nfs/dbraw/zinc/50/47/58/373504758.db2.gz SGWRYODCWZLVHM-UWVGGRQHSA-N 1 0 258.287 2.892 50 0 CFAARO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000054226488 373506163 /nfs/dbraw/zinc/50/61/63/373506163.db2.gz WIKKCNHOYZSCNF-HIFRSBDPSA-N 1 0 284.359 2.845 50 0 CFAARO COCCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000053789233 373489038 /nfs/dbraw/zinc/48/90/38/373489038.db2.gz IDXOEWCIBGFHPR-NSHDSACASA-N 1 0 258.159 2.876 50 0 CFAARO CCCSc1ncc(C[NH2+]C[C@H]2CC(CC)=NO2)cn1 ZINC000055090099 373540327 /nfs/dbraw/zinc/54/03/27/373540327.db2.gz IVXQEKAYGANYDY-CYBMUJFWSA-N 1 0 294.424 2.623 50 0 CFAARO Cc1ccccc1CN(CC[NH+](C)C)Cc1cccnc1 ZINC000055413503 373552059 /nfs/dbraw/zinc/55/20/59/373552059.db2.gz LQXVKOMBXIUXBM-UHFFFAOYSA-N 1 0 283.419 2.954 50 0 CFAARO CN(C(=O)c1ccc2c(c1)CCCC2)C1CC[NH+](C)CC1 ZINC000058305905 373642509 /nfs/dbraw/zinc/64/25/09/373642509.db2.gz WDIHIMJUUOLUQS-UHFFFAOYSA-N 1 0 286.419 2.732 50 0 CFAARO CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000058289933 373643387 /nfs/dbraw/zinc/64/33/87/373643387.db2.gz FCKOEJXCVDXVJL-UHFFFAOYSA-N 1 0 288.313 2.616 50 0 CFAARO CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000060348348 373690824 /nfs/dbraw/zinc/69/08/24/373690824.db2.gz FZLLYALFVNJBDY-UHFFFAOYSA-N 1 0 260.381 2.555 50 0 CFAARO CCC(C)(C)[NH2+]CCC(=O)N1CCc2sccc2C1 ZINC000060379196 373693076 /nfs/dbraw/zinc/69/30/76/373693076.db2.gz TYQNSHKGIJIPTF-UHFFFAOYSA-N 1 0 280.437 2.801 50 0 CFAARO COc1cccc([C@H]2[NH2+]CC[C@@]23c2ccccc2NC3=O)c1 ZINC000062001344 373742560 /nfs/dbraw/zinc/74/25/60/373742560.db2.gz FZBOBMBMYJZHKX-SJLPKXTDSA-N 1 0 294.354 2.620 50 0 CFAARO CC(C)[C@H]([NH2+]C1Cc2ccccc2C1)c1nccn1C ZINC000065528182 373881560 /nfs/dbraw/zinc/88/15/60/373881560.db2.gz MWCHXKTVIZYEBI-INIZCTEOSA-N 1 0 269.392 2.874 50 0 CFAARO c1cc(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)cs1 ZINC000065516171 373882050 /nfs/dbraw/zinc/88/20/50/373882050.db2.gz HVWHVCAYSJEMNP-UHFFFAOYSA-N 1 0 284.388 2.866 50 0 CFAARO O=C(C[N@@H+](Cc1ccccc1)CC1CCC1)NC1CC1 ZINC000065161497 373846246 /nfs/dbraw/zinc/84/62/46/373846246.db2.gz KNKYICJXFRBJNT-UHFFFAOYSA-N 1 0 272.392 2.567 50 0 CFAARO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC000065287725 373853566 /nfs/dbraw/zinc/85/35/66/373853566.db2.gz DIVBHLINCKLBFO-INIZCTEOSA-N 1 0 284.407 2.986 50 0 CFAARO Cc1ccnc(NCC[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000065370205 373859299 /nfs/dbraw/zinc/85/92/99/373859299.db2.gz DIOVNJRYRXBEMM-SNVBAGLBSA-N 1 0 261.291 2.732 50 0 CFAARO CCc1c(C)scc1C(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065381012 373860932 /nfs/dbraw/zinc/86/09/32/373860932.db2.gz PEUMDAJNRQXUMO-NEPJUHHUSA-N 1 0 278.421 2.585 50 0 CFAARO c1ccc([C@@H]2CCN(CC[NH2+]C3CCSCC3)C2)cc1 ZINC000065381968 373861249 /nfs/dbraw/zinc/86/12/49/373861249.db2.gz ZNENECPMJDDOOP-MRXNPFEDSA-N 1 0 290.476 2.961 50 0 CFAARO Cc1cccc(OCC[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000065418918 373868766 /nfs/dbraw/zinc/86/87/66/373868766.db2.gz JJCBAQBOOSDMAT-OAHLLOKOSA-N 1 0 263.381 2.529 50 0 CFAARO O=C(NCC[NH+]1CCCC1)Nc1nc2ccccc2s1 ZINC000065430419 373871007 /nfs/dbraw/zinc/87/10/07/373871007.db2.gz ZZTJHUVZMLUSMV-UHFFFAOYSA-N 1 0 290.392 2.514 50 0 CFAARO COC(C)(C)C[C@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000065461728 373875630 /nfs/dbraw/zinc/87/56/30/373875630.db2.gz ZFSYOKSNQDZKPY-LBPRGKRZSA-N 1 0 261.369 2.628 50 0 CFAARO c1cncc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000066172007 373918538 /nfs/dbraw/zinc/91/85/38/373918538.db2.gz JTYVATLNTCAODJ-SFHVURJKSA-N 1 0 298.386 2.929 50 0 CFAARO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCOC1 ZINC000067713147 373994249 /nfs/dbraw/zinc/99/42/49/373994249.db2.gz NLGMSKKBCXYWPC-GFCCVEGCSA-N 1 0 289.354 2.684 50 0 CFAARO OCCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000067697344 373995017 /nfs/dbraw/zinc/99/50/17/373995017.db2.gz NQYBTHWUYMGUAE-UHFFFAOYSA-N 1 0 288.174 2.741 50 0 CFAARO Cc1nccn1-c1ccccc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000067739406 373996983 /nfs/dbraw/zinc/99/69/83/373996983.db2.gz WNMCKKBHALJYED-AWEZNQCLSA-N 1 0 295.390 2.556 50 0 CFAARO CC(C)c1ccc(CC(=O)NC[C@]2(C)CC[N@H+](C)C2)cc1 ZINC000067770816 374001784 /nfs/dbraw/zinc/00/17/84/374001784.db2.gz KITTXDODWHXNSW-SFHVURJKSA-N 1 0 288.435 2.811 50 0 CFAARO Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000067850734 374009246 /nfs/dbraw/zinc/00/92/46/374009246.db2.gz WKFREQIQCMNAAR-SFHVURJKSA-N 1 0 286.419 2.828 50 0 CFAARO CCc1ccc(-c2nccn2C[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000067881381 374012366 /nfs/dbraw/zinc/01/23/66/374012366.db2.gz KOWJZYLKMWSTSQ-HNNXBMFYSA-N 1 0 284.407 2.992 50 0 CFAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1[nH]c2ccc(F)cc2c1C ZINC000067884440 374012757 /nfs/dbraw/zinc/01/27/57/374012757.db2.gz DPGFSQIOUTUOBU-JTQLQIEISA-N 1 0 291.370 2.572 50 0 CFAARO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1ccc2nonc2c1 ZINC000067894503 374013266 /nfs/dbraw/zinc/01/32/66/374013266.db2.gz AYBVESBHCLYFGV-NSHDSACASA-N 1 0 285.351 2.756 50 0 CFAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2cnccn2)c1 ZINC000067920392 374016170 /nfs/dbraw/zinc/01/61/70/374016170.db2.gz SOGQJRZZXFXLHJ-OAHLLOKOSA-N 1 0 283.375 2.924 50 0 CFAARO COc1ccnc(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000067383187 373978134 /nfs/dbraw/zinc/97/81/34/373978134.db2.gz SCFOESPOGZSSQE-AWEZNQCLSA-N 1 0 286.379 2.508 50 0 CFAARO CCC[NH2+]Cc1cccc(-c2ccc(C(N)=O)cc2)c1 ZINC000067446865 373979627 /nfs/dbraw/zinc/97/96/27/373979627.db2.gz UNGZTYGISRMPQT-UHFFFAOYSA-N 1 0 268.360 2.952 50 0 CFAARO CC[C@@H]1CN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC[NH2+]1 ZINC000067654275 373989301 /nfs/dbraw/zinc/98/93/01/373989301.db2.gz JNZBMESHUREUHS-CQSZACIVSA-N 1 0 285.391 2.609 50 0 CFAARO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)[C@@H](C)n1cccn1 ZINC000069351431 374056154 /nfs/dbraw/zinc/05/61/54/374056154.db2.gz VNTBQQZYUOHRSL-CHWSQXEVSA-N 1 0 275.400 2.574 50 0 CFAARO C[C@H](Cn1cccn1)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000069414580 374059404 /nfs/dbraw/zinc/05/94/04/374059404.db2.gz QKWMCFREAXHWHT-GFCCVEGCSA-N 1 0 284.338 2.749 50 0 CFAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C/c1nccs1 ZINC000069451762 374064405 /nfs/dbraw/zinc/06/44/05/374064405.db2.gz COKMXPIQPBTEPB-MMQHEFTJSA-N 1 0 295.452 2.783 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cccnc2C)c1 ZINC000069454112 374066141 /nfs/dbraw/zinc/06/61/41/374066141.db2.gz ATKQSPUFMOGDKV-TZMCWYRMSA-N 1 0 258.369 2.634 50 0 CFAARO COc1ccccc1/C=C/C[NH2+][C@@H](C)Cn1cc(C)cn1 ZINC000069490184 374068106 /nfs/dbraw/zinc/06/81/06/374068106.db2.gz SZQIADGPOCEHNR-VFADXPBXSA-N 1 0 285.391 2.892 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000069490196 374068259 /nfs/dbraw/zinc/06/82/59/374068259.db2.gz MSTXAYVSHVEGNV-LBPRGKRZSA-N 1 0 299.378 2.661 50 0 CFAARO CCSCCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000069485757 374068650 /nfs/dbraw/zinc/06/86/50/374068650.db2.gz PHGDJCROYVPAES-UHFFFAOYSA-N 1 0 294.464 2.898 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000069661085 374082895 /nfs/dbraw/zinc/08/28/95/374082895.db2.gz WSNYOBKLCDTYEX-GJZGRUSLSA-N 1 0 264.413 2.652 50 0 CFAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(Cl)c1 ZINC000069531638 374072338 /nfs/dbraw/zinc/07/23/38/374072338.db2.gz CZKTUVDBYUWWBC-LLVKDONJSA-N 1 0 278.783 2.554 50 0 CFAARO CCC[N@@H+]1CCCN(C(=O)c2sccc2C)CC1 ZINC000069665538 374082927 /nfs/dbraw/zinc/08/29/27/374082927.db2.gz LPOCNFXDGOQESY-UHFFFAOYSA-N 1 0 266.410 2.614 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2nc3ccccc3o2)c1 ZINC000069568473 374075340 /nfs/dbraw/zinc/07/53/40/374075340.db2.gz MOOAYNXYLBKJAK-GFCCVEGCSA-N 1 0 270.336 2.511 50 0 CFAARO C[C@H]([C@H](C)[NH2+]Cc1nc2ccccc2o1)n1cccn1 ZINC000069951420 374111516 /nfs/dbraw/zinc/11/15/16/374111516.db2.gz VILMUCGSTRUVFM-NWDGAFQWSA-N 1 0 270.336 2.764 50 0 CFAARO CCc1ncc2c(n1)C[N@@H+](CCc1ccc(OC)cc1)CC2 ZINC000070011714 374114635 /nfs/dbraw/zinc/11/46/35/374114635.db2.gz DTAQHPMJRQXNOF-UHFFFAOYSA-N 1 0 297.402 2.648 50 0 CFAARO C[C@H]([NH2+]CCOc1ccccc1F)[C@H](C)n1cccn1 ZINC000069972416 374115098 /nfs/dbraw/zinc/11/50/98/374115098.db2.gz QURAZRVHPVUBQG-STQMWFEESA-N 1 0 277.343 2.640 50 0 CFAARO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1nnc(C)o1 ZINC000069683866 374085554 /nfs/dbraw/zinc/08/55/54/374085554.db2.gz HWLUZKCNBDGWHJ-AWEZNQCLSA-N 1 0 287.363 2.594 50 0 CFAARO COc1cccc(C[N@H+](CCO)Cc2ccsc2)c1 ZINC000069739457 374090864 /nfs/dbraw/zinc/09/08/64/374090864.db2.gz IKFLFEDCHFJQMG-UHFFFAOYSA-N 1 0 277.389 2.751 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000069779986 374098685 /nfs/dbraw/zinc/09/86/85/374098685.db2.gz MGMSXILYKAOEJK-GJZGRUSLSA-N 1 0 294.345 2.664 50 0 CFAARO c1ccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CCOCO2)cc1 ZINC000069899871 374107109 /nfs/dbraw/zinc/10/71/09/374107109.db2.gz UXZHACMCGCOXEI-SJORKVTESA-N 1 0 275.392 2.847 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccco1 ZINC000069901905 374108932 /nfs/dbraw/zinc/10/89/32/374108932.db2.gz PKSJFPMRHJWCKP-HOTGVXAUSA-N 1 0 290.407 2.688 50 0 CFAARO Cc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000070172421 374137251 /nfs/dbraw/zinc/13/72/51/374137251.db2.gz CHSVCOHMFRCAPJ-AAEUAGOBSA-N 1 0 280.799 2.848 50 0 CFAARO COc1cc(Cl)ccc1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070172349 374138224 /nfs/dbraw/zinc/13/82/24/374138224.db2.gz WDIKIFQRMKEWGS-QWRGUYRKSA-N 1 0 296.798 2.548 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1C ZINC000070173340 374140031 /nfs/dbraw/zinc/14/00/31/374140031.db2.gz PSKRVMRKJQQWGT-KBPBESRZSA-N 1 0 260.381 2.503 50 0 CFAARO c1cc2c(ncnc2N2CCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000071811110 374225858 /nfs/dbraw/zinc/22/58/58/374225858.db2.gz AFSFLMDONCVVOX-LBPRGKRZSA-N 1 0 288.420 2.756 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2ccccc2Cl)[C@H]1C[NH3+] ZINC000070543549 374190716 /nfs/dbraw/zinc/19/07/16/374190716.db2.gz FCGYGDKZRLLBSE-MFKMUULPSA-N 1 0 266.772 2.539 50 0 CFAARO Cc1cc[nH+]c(NCCn2ccnc2-c2ccoc2)c1 ZINC000072425670 374251537 /nfs/dbraw/zinc/25/15/37/374251537.db2.gz WWSJTFBWNFUAIX-UHFFFAOYSA-N 1 0 268.320 2.959 50 0 CFAARO Cc1cnn(CC[NH2+]Cc2ccc(F)c3cccnc23)c1 ZINC000072253121 374238017 /nfs/dbraw/zinc/23/80/17/374238017.db2.gz HVISPODRAMMJRY-UHFFFAOYSA-N 1 0 284.338 2.669 50 0 CFAARO CCCCn1nc(C)c(C[NH2+]CCn2cccn2)c1Cl ZINC000072272808 374239551 /nfs/dbraw/zinc/23/95/51/374239551.db2.gz XEPAYTGWWGQPIS-UHFFFAOYSA-N 1 0 295.818 2.631 50 0 CFAARO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1nc(C)c(C)s1 ZINC000072305772 374244098 /nfs/dbraw/zinc/24/40/98/374244098.db2.gz UPLXXHKATJOYPO-GFCCVEGCSA-N 1 0 296.440 2.756 50 0 CFAARO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000072343485 374247262 /nfs/dbraw/zinc/24/72/62/374247262.db2.gz OTGFFFNZWBXWSL-NSHDSACASA-N 1 0 288.782 2.846 50 0 CFAARO CC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1nccs1 ZINC000073859527 374393179 /nfs/dbraw/zinc/39/31/79/374393179.db2.gz DJEUNLDTPJBFNV-CYBMUJFWSA-N 1 0 295.452 2.831 50 0 CFAARO CSc1ccc(OCC[N@H+](C)Cc2cnn(C)c2)cc1 ZINC000075591398 374493623 /nfs/dbraw/zinc/49/36/23/374493623.db2.gz WUVSYHWCZFCTSC-UHFFFAOYSA-N 1 0 291.420 2.653 50 0 CFAARO CC[C@H](c1ccccc1)[NH+]1CCN(Cc2ccon2)CC1 ZINC000075857123 374509030 /nfs/dbraw/zinc/50/90/30/374509030.db2.gz JCPCCJGORYITNG-QGZVFWFLSA-N 1 0 285.391 2.944 50 0 CFAARO Cc1cnc(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cn1 ZINC000076089531 374530763 /nfs/dbraw/zinc/53/07/63/374530763.db2.gz SETQRRLEVZAYET-INIZCTEOSA-N 1 0 275.396 2.709 50 0 CFAARO C[N@H+](CCc1ccncc1)Cc1ccc(Cl)nc1 ZINC000078968990 374578611 /nfs/dbraw/zinc/57/86/11/374578611.db2.gz YAYNKHRLJLTRNQ-UHFFFAOYSA-N 1 0 261.756 2.805 50 0 CFAARO C[C@@H]1C[C@H](NCc2ncc[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000080338357 374649897 /nfs/dbraw/zinc/64/98/97/374649897.db2.gz MZSLYYFQKYPXIQ-GDBMZVCRSA-N 1 0 284.407 2.552 50 0 CFAARO C[NH+](C)[C@@H](Cn1ccnc1-c1ccccn1)c1ccccn1 ZINC000082098606 374727109 /nfs/dbraw/zinc/72/71/09/374727109.db2.gz KAOMOYQGUIZPOL-INIZCTEOSA-N 1 0 293.374 2.643 50 0 CFAARO COc1ccc([C@H]([NH2+]CCO)c2ccc(C)cc2)cc1 ZINC000085274564 374800127 /nfs/dbraw/zinc/80/01/27/374800127.db2.gz PWKLUQRVBJGHCR-QGZVFWFLSA-N 1 0 271.360 2.675 50 0 CFAARO FC(F)(F)c1cccc2sc(N3CC[NH2+]CC3)nc21 ZINC000085436311 374802184 /nfs/dbraw/zinc/80/21/84/374802184.db2.gz RYMASJYBQQAFDG-UHFFFAOYSA-N 1 0 287.310 2.725 50 0 CFAARO Clc1ccc(C[NH2+]C[C@H]2CCCn3ccnc32)o1 ZINC000084436758 374776762 /nfs/dbraw/zinc/77/67/62/374776762.db2.gz HHCBMXGJMCABOG-SNVBAGLBSA-N 1 0 265.744 2.797 50 0 CFAARO CCc1nsc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000089295523 374895130 /nfs/dbraw/zinc/89/51/30/374895130.db2.gz CERAFXNNQBXEMP-NEPJUHHUSA-N 1 0 280.441 2.552 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(Cl)s1 ZINC000089375339 374898119 /nfs/dbraw/zinc/89/81/19/374898119.db2.gz GASUSFSUFUOXLM-NEPJUHHUSA-N 1 0 285.844 2.855 50 0 CFAARO Cc1noc(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)n1 ZINC000089518495 374918337 /nfs/dbraw/zinc/91/83/37/374918337.db2.gz GJBPIHZLUYYNAP-CYBMUJFWSA-N 1 0 291.326 2.563 50 0 CFAARO Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000089585157 374924419 /nfs/dbraw/zinc/92/44/19/374924419.db2.gz FHVLQKQBMXRBOH-HZPDHXFCSA-N 1 0 274.408 2.906 50 0 CFAARO Cc1cc(C[N@H+]2CC[C@@H](OCCC(C)C)C2)on1 ZINC000089606898 374928202 /nfs/dbraw/zinc/92/82/02/374928202.db2.gz DPNAIOHLUZMDMB-CYBMUJFWSA-N 1 0 252.358 2.620 50 0 CFAARO Cc1cccc(C)c1C[N@@H+](C)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000089688778 374937660 /nfs/dbraw/zinc/93/76/60/374937660.db2.gz VUBIDVFFVQAHLR-HOTGVXAUSA-N 1 0 295.448 2.701 50 0 CFAARO FC(F)(F)c1cccnc1NCC[NH2+]Cc1cccnc1 ZINC000089794033 374953236 /nfs/dbraw/zinc/95/32/36/374953236.db2.gz OFZQERLHSJRENA-UHFFFAOYSA-N 1 0 296.296 2.697 50 0 CFAARO CC(C)n1cnnc1SCC[NH+]1CCC(C)CC1 ZINC000089929974 374970756 /nfs/dbraw/zinc/97/07/56/374970756.db2.gz UXPAOKIHLIFMOI-UHFFFAOYSA-N 1 0 268.430 2.683 50 0 CFAARO CC(C)c1noc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000089893651 374965591 /nfs/dbraw/zinc/96/55/91/374965591.db2.gz NFELKWCCNZAHEL-OLZOCXBDSA-N 1 0 278.400 2.645 50 0 CFAARO C[C@@H]([NH2+]CCn1cnnc1C1CC1)c1ccccc1F ZINC000090033599 374985313 /nfs/dbraw/zinc/98/53/13/374985313.db2.gz VHKRJDVQPNURTN-LLVKDONJSA-N 1 0 274.343 2.645 50 0 CFAARO c1ccc2c(c1)CC[C@@H]([NH2+]CCCOC1CCOCC1)C2 ZINC000090083139 374990210 /nfs/dbraw/zinc/99/02/10/374990210.db2.gz VHVXIITZLKTUIU-QGZVFWFLSA-N 1 0 289.419 2.719 50 0 CFAARO CC(C)C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccn1 ZINC000090181881 375000984 /nfs/dbraw/zinc/00/09/84/375000984.db2.gz JOVGUURKJXVMHQ-BBRMVZONSA-N 1 0 287.407 2.522 50 0 CFAARO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)s1 ZINC000090515899 375017641 /nfs/dbraw/zinc/01/76/41/375017641.db2.gz RKHYJZHXIBQOFN-OHUAYANFSA-N 1 0 259.440 2.864 50 0 CFAARO CC[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1Cl ZINC000090537396 375019956 /nfs/dbraw/zinc/01/99/56/375019956.db2.gz GVKWPEJHUADRLV-SNVBAGLBSA-N 1 0 254.761 2.975 50 0 CFAARO CCc1nc2c(s1)[C@@H]([NH2+]C1CCC(O)CC1)CCC2 ZINC000090800757 375029760 /nfs/dbraw/zinc/02/97/60/375029760.db2.gz YXIKDYGEHHLHEH-MCIGGMRASA-N 1 0 280.437 2.976 50 0 CFAARO CC(C)NC(=O)C[NH2+][C@@H]1c2ccccc2SC[C@@H]1C ZINC000089941389 374973012 /nfs/dbraw/zinc/97/30/12/374973012.db2.gz VPXIGKVRFBZFQH-NHYWBVRUSA-N 1 0 278.421 2.584 50 0 CFAARO CCc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)o1 ZINC000092967621 375170364 /nfs/dbraw/zinc/17/03/64/375170364.db2.gz CZLMJJHVAKBDRP-ZDUSSCGKSA-N 1 0 259.353 2.876 50 0 CFAARO C[C@H]([NH2+]CCOc1ccc2c(c1)OCO2)c1nccs1 ZINC000093400312 375228460 /nfs/dbraw/zinc/22/84/60/375228460.db2.gz OFGLMYKHCSDKDX-JTQLQIEISA-N 1 0 292.360 2.601 50 0 CFAARO Cn1cc(C[C@H]2CC[N@H+](Cc3ccsc3)C2)cn1 ZINC000093870581 375324984 /nfs/dbraw/zinc/32/49/84/375324984.db2.gz ZKNNLQFEKPRDEZ-GFCCVEGCSA-N 1 0 261.394 2.546 50 0 CFAARO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000093814068 375314645 /nfs/dbraw/zinc/31/46/45/375314645.db2.gz FXSIQDBZUMNEMX-INIZCTEOSA-N 1 0 272.348 2.553 50 0 CFAARO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccncc1 ZINC000094433553 375360930 /nfs/dbraw/zinc/36/09/30/375360930.db2.gz ZECYFNBJTFMRMD-HZPDHXFCSA-N 1 0 259.397 2.530 50 0 CFAARO CC(C)C[C@@H](C[NH3+])C(=O)NCc1ccc(Cl)cc1 ZINC000094696973 375372520 /nfs/dbraw/zinc/37/25/20/375372520.db2.gz HRXWQJYBMCANPH-LBPRGKRZSA-N 1 0 268.788 2.577 50 0 CFAARO CCCn1ncnc1-c1ccc([C@H](C)[NH+](C)C)cc1 ZINC000096167178 375473152 /nfs/dbraw/zinc/47/31/52/375473152.db2.gz UHHNAGUHPWUWOQ-LBPRGKRZSA-N 1 0 258.369 2.978 50 0 CFAARO C[NH+](C)CCS[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000095978044 375464454 /nfs/dbraw/zinc/46/44/54/375464454.db2.gz BMTORSUWTIHOMR-CQSZACIVSA-N 1 0 296.411 2.616 50 0 CFAARO CCc1cc(NCc2ccccc2C[NH+](C)C)ncn1 ZINC000095359372 375419463 /nfs/dbraw/zinc/41/94/63/375419463.db2.gz BTDBSPHVBZFXTF-UHFFFAOYSA-N 1 0 270.380 2.713 50 0 CFAARO CCCc1nnc(N2CCCC3(CC[NH+](C)CC3)CC2)o1 ZINC000095362878 375421528 /nfs/dbraw/zinc/42/15/28/375421528.db2.gz LSTOBXVTRDGQQT-UHFFFAOYSA-N 1 0 292.427 2.724 50 0 CFAARO FC(F)(F)Oc1ccccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000095366937 375421650 /nfs/dbraw/zinc/42/16/50/375421650.db2.gz XZIPCQHCQYDAFO-UHFFFAOYSA-N 1 0 283.253 2.621 50 0 CFAARO Cc1ccc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)o1 ZINC000095372097 375422936 /nfs/dbraw/zinc/42/29/36/375422936.db2.gz GXFVKUAALYDXHN-CQSZACIVSA-N 1 0 278.396 2.511 50 0 CFAARO Cc1nc(C)c(C)c(N(C)CC[C@@H](C)[NH+]2CCCC2)n1 ZINC000095369728 375423222 /nfs/dbraw/zinc/42/32/22/375423222.db2.gz APQUGBJJEATAJA-GFCCVEGCSA-N 1 0 276.428 2.712 50 0 CFAARO CC(C)Oc1cc(F)cc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000095378983 375425482 /nfs/dbraw/zinc/42/54/82/375425482.db2.gz OYYJMLRQCOECBL-UHFFFAOYSA-N 1 0 275.327 2.649 50 0 CFAARO CCC[NH+]1CCC(CCNc2ncc(C)cn2)CC1 ZINC000095381360 375427482 /nfs/dbraw/zinc/42/74/82/375427482.db2.gz QSVNHLLZEIBRBU-UHFFFAOYSA-N 1 0 262.401 2.709 50 0 CFAARO c1c(Cc2ccccc2)nn2c1C[N@H+](CC1CC1)CC2 ZINC000096153496 375470529 /nfs/dbraw/zinc/47/05/29/375470529.db2.gz JQLCOMZUCLKSGD-UHFFFAOYSA-N 1 0 267.376 2.700 50 0 CFAARO Cc1cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)nc2cc(F)ccc12 ZINC000095389195 375428918 /nfs/dbraw/zinc/42/89/18/375428918.db2.gz IOINTEAOFFTWEP-CABCVRRESA-N 1 0 285.366 2.856 50 0 CFAARO CCOCC[NH+]1CCC(c2nc3c(cccc3F)[nH]2)CC1 ZINC000095400904 375431620 /nfs/dbraw/zinc/43/16/20/375431620.db2.gz CIFBXGRAKHXVKU-UHFFFAOYSA-N 1 0 291.370 2.918 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1CCCn2ccnc21)c1ccncc1 ZINC000095402196 375431653 /nfs/dbraw/zinc/43/16/53/375431653.db2.gz QYZKOFZIFYOHEM-JSGCOSHPSA-N 1 0 256.353 2.506 50 0 CFAARO C[C@@H]([NH2+]CCOc1cccnc1)c1ccc(F)cc1 ZINC000095422464 375440261 /nfs/dbraw/zinc/44/02/61/375440261.db2.gz JVOFKAFRQYVQNJ-GFCCVEGCSA-N 1 0 260.312 2.950 50 0 CFAARO C[C@@H](CC(=O)N(C)C)[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000095422191 375441109 /nfs/dbraw/zinc/44/11/09/375441109.db2.gz ZALDKVHDTPEJCU-MEDUHNTESA-N 1 0 278.371 2.733 50 0 CFAARO CCCNC(=O)CC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000095420686 375441316 /nfs/dbraw/zinc/44/13/16/375441316.db2.gz HWERXFVNAJWPBL-OAHLLOKOSA-N 1 0 292.448 2.523 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1cnn(C)c1)N(C)C)CC2 ZINC000095422649 375442119 /nfs/dbraw/zinc/44/21/19/375442119.db2.gz LZRHHLIRALFAPR-ZWKOTPCHSA-N 1 0 298.434 2.608 50 0 CFAARO CCS[C@@H]1CC[C@@]1(O)C[NH2+]C[C@H]1CC=CCC1 ZINC000095434081 375446522 /nfs/dbraw/zinc/44/65/22/375446522.db2.gz SGBFMTMLWVLWFE-BFHYXJOUSA-N 1 0 255.427 2.579 50 0 CFAARO c1ncn(C[C@@H]([NH2+]C[C@H]2CC=CCC2)c2ccccc2)n1 ZINC000095433969 375446549 /nfs/dbraw/zinc/44/65/49/375446549.db2.gz DGLMORSIHMCSNB-DOTOQJQBSA-N 1 0 282.391 2.965 50 0 CFAARO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000095431718 375446919 /nfs/dbraw/zinc/44/69/19/375446919.db2.gz DGDKTXVRBWJNGX-HNNXBMFYSA-N 1 0 296.418 2.792 50 0 CFAARO COc1cc(NCC[NH2+]C2CCSCC2)cc(OC)c1 ZINC000095434140 375448074 /nfs/dbraw/zinc/44/80/74/375448074.db2.gz BCOGRDYNNFLIRI-UHFFFAOYSA-N 1 0 296.436 2.601 50 0 CFAARO CC1CCC(C[NH2+]CCc2nncn2C2CC2)CC1 ZINC000095449338 375453392 /nfs/dbraw/zinc/45/33/92/375453392.db2.gz DUURYJSKOCMUEZ-UHFFFAOYSA-N 1 0 262.401 2.571 50 0 CFAARO Cc1ncccc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000095448857 375454087 /nfs/dbraw/zinc/45/40/87/375454087.db2.gz WGRNRDVPSYSEPT-FZMZJTMJSA-N 1 0 260.337 2.585 50 0 CFAARO Cc1cccc(NCCC(=O)NCc2ccccc2)[nH+]1 ZINC000097163275 375534978 /nfs/dbraw/zinc/53/49/78/375534978.db2.gz AGWMBUPAXSMBAF-UHFFFAOYSA-N 1 0 269.348 2.508 50 0 CFAARO CCCCSc1ncc(CN2CCC[C@@H]([NH3+])CC2)cn1 ZINC000097259150 375546146 /nfs/dbraw/zinc/54/61/46/375546146.db2.gz RYPZPDSSCNOYID-CQSZACIVSA-N 1 0 294.468 2.682 50 0 CFAARO C[C@H](C[C@H](O)c1cccs1)[NH2+]Cc1cccn1C ZINC000097230193 375541777 /nfs/dbraw/zinc/54/17/77/375541777.db2.gz COLHJIRLWAMTOI-YPMHNXCESA-N 1 0 264.394 2.688 50 0 CFAARO CC(C)[C@@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000096952399 375493913 /nfs/dbraw/zinc/49/39/13/375493913.db2.gz UJAPRAVWFUMDRB-GFCCVEGCSA-N 1 0 256.390 2.617 50 0 CFAARO C[C@@H]([NH2+]CC(=O)Nc1ccncc1)[C@H](C)c1ccccc1 ZINC000097234984 375543960 /nfs/dbraw/zinc/54/39/60/375543960.db2.gz USGKEDCJPLCDHO-UONOGXRCSA-N 1 0 283.375 2.802 50 0 CFAARO CCn1nccc1C[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000097082710 375510493 /nfs/dbraw/zinc/51/04/93/375510493.db2.gz HYMWATVIPRQYLN-UHFFFAOYSA-N 1 0 295.390 2.593 50 0 CFAARO Cn1nccc1C[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000097102361 375518315 /nfs/dbraw/zinc/51/83/15/375518315.db2.gz UVEBGJUJJOFJPC-GOSISDBHSA-N 1 0 298.434 2.564 50 0 CFAARO CCn1nccc1C[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000097142214 375528507 /nfs/dbraw/zinc/52/85/07/375528507.db2.gz VMKJWHQFIRIHFY-RDJZCZTQSA-N 1 0 285.391 2.913 50 0 CFAARO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000097372975 375553962 /nfs/dbraw/zinc/55/39/62/375553962.db2.gz FOYAKIPCQDYRNE-HZSPNIEDSA-N 1 0 262.401 2.778 50 0 CFAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCCc1ccc(Cl)cc1 ZINC000097393973 375558875 /nfs/dbraw/zinc/55/88/75/375558875.db2.gz LLIVKKDOPCRFOM-HNNXBMFYSA-N 1 0 294.826 2.873 50 0 CFAARO C[C@H](C[N@H+](C)CC1(CO)CCOCC1)c1ccccc1 ZINC000097499624 375565935 /nfs/dbraw/zinc/56/59/35/375565935.db2.gz TZPPCZOQVOJXMP-OAHLLOKOSA-N 1 0 277.408 2.511 50 0 CFAARO CC(C)Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)NC3=O)s1 ZINC000097594704 375570122 /nfs/dbraw/zinc/57/01/22/375570122.db2.gz JLFRSDRULAPRSG-OLZOCXBDSA-N 1 0 292.448 2.657 50 0 CFAARO Cc1ccccc1-c1ncc(CN2CCC[C@@H]([NH3+])CC2)cn1 ZINC000097610114 375573060 /nfs/dbraw/zinc/57/30/60/375573060.db2.gz YVSXLBBSPUUPLR-MRXNPFEDSA-N 1 0 296.418 2.765 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000097635128 375575440 /nfs/dbraw/zinc/57/54/40/375575440.db2.gz UOLCTJNRDZJJEP-TXTHVTMNSA-N 1 0 298.390 2.706 50 0 CFAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnoc1-c1ccccc1 ZINC000097638051 375575840 /nfs/dbraw/zinc/57/58/40/375575840.db2.gz VDXCNTMALPYFDL-CQSZACIVSA-N 1 0 299.374 2.556 50 0 CFAARO Cc1nccc(C2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000097716922 375580478 /nfs/dbraw/zinc/58/04/78/375580478.db2.gz CWYFWHSAWAHJGQ-UHFFFAOYSA-N 1 0 283.375 2.870 50 0 CFAARO [NH2+]=C1c2ccccc2CN1CC(=O)c1cccs1 ZINC000100683293 375625785 /nfs/dbraw/zinc/62/57/85/375625785.db2.gz DZHDPQGEYPFQLB-UHFFFAOYSA-N 1 0 256.330 2.772 50 0 CFAARO Cc1cc(C)n(CCC[NH2+]Cc2cccc(C)c2)n1 ZINC000098078554 375600470 /nfs/dbraw/zinc/60/04/70/375600470.db2.gz PFEVJIJIONASQT-UHFFFAOYSA-N 1 0 257.381 2.988 50 0 CFAARO 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ZINC000218785881 382790546 /nfs/dbraw/zinc/79/05/46/382790546.db2.gz SLAOVOHNUNQAER-UHFFFAOYSA-N 1 0 275.371 2.757 50 0 CFAARO Cc1nc(Cl)ccc1NC(=O)NCC[NH+]1CCCCC1 ZINC000194662948 382751515 /nfs/dbraw/zinc/75/15/15/382751515.db2.gz MUQKSNQLCOKCBJ-UHFFFAOYSA-N 1 0 296.802 2.651 50 0 CFAARO C[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(-c4ccco4)c3)C[C@H]21 ZINC000220489140 382796423 /nfs/dbraw/zinc/79/64/23/382796423.db2.gz FKSVZXKBRHJMRO-JKSUJKDBSA-N 1 0 296.370 2.723 50 0 CFAARO COc1ccc(/C=C(\C)C[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000221722251 382799318 /nfs/dbraw/zinc/79/93/18/382799318.db2.gz GOAQAOISMGPUOK-QSOAKEGCSA-N 1 0 298.390 2.815 50 0 CFAARO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc(C(C)(C)C)n2)C1 ZINC000222119986 382800831 /nfs/dbraw/zinc/80/08/31/382800831.db2.gz PAPBWLBFFVLBHD-UONOGXRCSA-N 1 0 288.439 2.695 50 0 CFAARO O[C@H](c1cc2n(n1)CCCN(c1cc[nH+]cc1)C2)C1CCC1 ZINC000223314762 382805032 /nfs/dbraw/zinc/80/50/32/382805032.db2.gz FAZDWLJRCPPJEP-KRWDZBQOSA-N 1 0 298.390 2.522 50 0 CFAARO c1c2ccccc2oc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000225331509 382814302 /nfs/dbraw/zinc/81/43/02/382814302.db2.gz RLSLTUIIJGRIEC-AWEZNQCLSA-N 1 0 256.349 2.713 50 0 CFAARO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(F)c1 ZINC000225323830 382814381 /nfs/dbraw/zinc/81/43/81/382814381.db2.gz KGQDKQBTTVUIMI-BBRMVZONSA-N 1 0 262.372 2.884 50 0 CFAARO Cc1c(F)cccc1-c1ccc(C[NH2+][C@H](C)CO)o1 ZINC000225392565 382815026 /nfs/dbraw/zinc/81/50/26/382815026.db2.gz KPLBBEQDSKGYOQ-SNVBAGLBSA-N 1 0 263.312 2.865 50 0 CFAARO CC(C)COC[C@H](O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000225409747 382815539 /nfs/dbraw/zinc/81/55/39/382815539.db2.gz PGFVWSUKTALBPE-QWHCGFSZSA-N 1 0 283.437 2.701 50 0 CFAARO COCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000225479012 382816626 /nfs/dbraw/zinc/81/66/26/382816626.db2.gz LSGYGSZUBINOPW-SNVBAGLBSA-N 1 0 277.393 2.811 50 0 CFAARO CCN1CCC([N@H+](C)CCCCC2CCOCC2)CC1 ZINC000225627362 382819390 /nfs/dbraw/zinc/81/93/90/382819390.db2.gz NKMQSHZJGNRKNL-UHFFFAOYSA-N 1 0 282.472 2.999 50 0 CFAARO C[C@H](C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1)c1ccccc1 ZINC000225636090 382819406 /nfs/dbraw/zinc/81/94/06/382819406.db2.gz YHRLEUCTVDAXSK-RHSMWYFYSA-N 1 0 299.418 2.959 50 0 CFAARO Cc1noc([C@H](C)N2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000229542468 382851878 /nfs/dbraw/zinc/85/18/78/382851878.db2.gz AXNLKKBHXHPGCQ-IONNQARKSA-N 1 0 263.263 2.713 50 0 CFAARO CCOc1ccc(CN(C)CN2C(=O)C[C@H](C)[C@H]2C)cc1 ZINC000230164381 382856622 /nfs/dbraw/zinc/85/66/22/382856622.db2.gz HEKDFCSZXXVXOC-UONOGXRCSA-N 1 0 290.407 2.732 50 0 CFAARO O[C@H](CN1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)c(F)c1 ZINC000230250252 382857869 /nfs/dbraw/zinc/85/78/69/382857869.db2.gz CQBXLOKIOYENSS-BZUAXINKSA-N 1 0 297.345 2.642 50 0 CFAARO CCc1ccc([C@H](NC(=O)[C@@H]2CC[NH2+]C2)C(C)(C)C)o1 ZINC000236985796 382940042 /nfs/dbraw/zinc/94/00/42/382940042.db2.gz UFCZMMMYGPFJIT-RISCZKNCSA-N 1 0 278.396 2.655 50 0 CFAARO CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000237097829 382950239 /nfs/dbraw/zinc/95/02/39/382950239.db2.gz 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Fc1ccc(C2=CC[N@H+](C[C@H]3CCOC3)CC2)cc1 ZINC000244748655 382991037 /nfs/dbraw/zinc/99/10/37/382991037.db2.gz OLVRCPJMXLVRHN-CYBMUJFWSA-N 1 0 261.340 2.951 50 0 CFAARO COc1cc(C)ccc1OCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000244707933 382991337 /nfs/dbraw/zinc/99/13/37/382991337.db2.gz KKJASWAGHFGOMM-HNNXBMFYSA-N 1 0 293.407 2.883 50 0 CFAARO C[C@@H](Cc1cnccn1)[N@H+](C)CCCc1ccco1 ZINC000244719261 382991446 /nfs/dbraw/zinc/99/14/46/382991446.db2.gz MAALSPYOACYKEL-ZDUSSCGKSA-N 1 0 259.353 2.565 50 0 CFAARO c1ncn(Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)n1 ZINC000448074390 383044056 /nfs/dbraw/zinc/04/40/56/383044056.db2.gz MEWAIXRYSYOQJP-UHFFFAOYSA-N 1 0 282.391 2.749 50 0 CFAARO O=C1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N1C1CC1 ZINC000246325199 383072526 /nfs/dbraw/zinc/07/25/26/383072526.db2.gz SCEBQEXKOXURIY-DOTOQJQBSA-N 1 0 284.403 2.662 50 0 CFAARO CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCC2 ZINC000585116631 383114838 /nfs/dbraw/zinc/11/48/38/383114838.db2.gz CWXRKVZMOTYLFN-LJISPDSOSA-N 1 0 279.424 2.639 50 0 CFAARO C[C@H]([NH2+]Cc1ccns1)[C@@H](c1ccccc1)N(C)C ZINC000585117777 383114970 /nfs/dbraw/zinc/11/49/70/383114970.db2.gz WJNMCDGBJXWADE-WFASDCNBSA-N 1 0 275.421 2.924 50 0 CFAARO CC(C)(C)C[NH2+]Cc1ccccc1OCCCCO ZINC000585118693 383115414 /nfs/dbraw/zinc/11/54/14/383115414.db2.gz YNTXGMNCUQNHRA-UHFFFAOYSA-N 1 0 265.397 2.974 50 0 CFAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC(C1CC1)C1CC1 ZINC000248127630 383213097 /nfs/dbraw/zinc/21/30/97/383213097.db2.gz MHFLVTBMBZGDNI-IAGOWNOFSA-N 1 0 290.451 2.898 50 0 CFAARO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1cccnc1 ZINC000247942017 383200559 /nfs/dbraw/zinc/20/05/59/383200559.db2.gz NRNAWPNJVANNJB-KBRIMQKVSA-N 1 0 287.407 2.618 50 0 CFAARO O=C([C@H]1CCCc2ccccc21)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000247959265 383201564 /nfs/dbraw/zinc/20/15/64/383201564.db2.gz WOKFBZXQLBMJOX-WMZOPIPTSA-N 1 0 298.430 2.803 50 0 CFAARO C[C@H](CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)n1cccc1 ZINC000248101013 383211017 /nfs/dbraw/zinc/21/10/17/383211017.db2.gz DWKVCBYVJXQVEZ-BZUAXINKSA-N 1 0 289.423 2.524 50 0 CFAARO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(F)c(F)c1 ZINC000247347383 383165542 /nfs/dbraw/zinc/16/55/42/383165542.db2.gz OPVYHCXHJDUILO-PWSUYJOCSA-N 1 0 295.333 2.665 50 0 CFAARO CCOCC[N@@H+]1CCN(C/C=C\c2ccccc2)C[C@H]1C ZINC000248319371 383223369 /nfs/dbraw/zinc/22/33/69/383223369.db2.gz QGSPMAVROBEOBD-CGQZWFTASA-N 1 0 288.435 2.742 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249417428 383344648 /nfs/dbraw/zinc/34/46/48/383344648.db2.gz ZTKWALOMKQELJY-UTUOFQBUSA-N 1 0 292.345 2.708 50 0 CFAARO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(CO)c1 ZINC000248774065 383289909 /nfs/dbraw/zinc/28/99/09/383289909.db2.gz YROXGONTZORSOV-WBQNTZJQSA-N 1 0 287.403 2.787 50 0 CFAARO CC(=O)N[C@@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000249047030 383321688 /nfs/dbraw/zinc/32/16/88/383321688.db2.gz WKFQLSWBGAJWCD-RHSMWYFYSA-N 1 0 274.408 2.781 50 0 CFAARO Cc1ccccc1[C@@H](C)c1noc(C2CC[NH2+]CC2)n1 ZINC000252483917 383412025 /nfs/dbraw/zinc/41/20/25/383412025.db2.gz FKYIJEQQUDBLDX-GFCCVEGCSA-N 1 0 271.364 2.997 50 0 CFAARO CO[C@@H]1CC[C@@H]2OCC[N@H+](CCSC(C)(C)C)[C@@H]2C1 ZINC000252489475 383412956 /nfs/dbraw/zinc/41/29/56/383412956.db2.gz JRTAWNCELQBPRA-MCIONIFRSA-N 1 0 287.469 2.786 50 0 CFAARO C=CC(=O)Oc1ccc(/C=C/c2cc[n+](C)cc2)cc1 ZINC000526061665 383425872 /nfs/dbraw/zinc/42/58/72/383425872.db2.gz WXPMUYJTRFRBCY-SNAWJCMRSA-N 1 0 266.320 2.773 50 0 CFAARO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1ccncc1 ZINC000253370357 383452229 /nfs/dbraw/zinc/45/22/29/383452229.db2.gz PTLWJGYBBPKNQV-MAUKXSAKSA-N 1 0 281.403 2.692 50 0 CFAARO Cc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cn1 ZINC000253415570 383456526 /nfs/dbraw/zinc/45/65/26/383456526.db2.gz IYFBSPBQDNYXOL-UHFFFAOYSA-N 1 0 288.420 2.605 50 0 CFAARO COc1cccc(NC2CCN(CC[NH2+]C(C)C)CC2)c1 ZINC000253420871 383457730 /nfs/dbraw/zinc/45/77/30/383457730.db2.gz NAVDECPYQQIEHA-UHFFFAOYSA-N 1 0 291.439 2.570 50 0 CFAARO CCn1ncc(C[NH+]2CCC3(CC[C@@H]3OC)CC2)c1C ZINC000257184486 383491913 /nfs/dbraw/zinc/49/19/13/383491913.db2.gz UVRNWHCKEZLPSS-HNNXBMFYSA-N 1 0 277.412 2.602 50 0 CFAARO Cc1nonc1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000265142777 383843028 /nfs/dbraw/zinc/84/30/28/383843028.db2.gz QUKFYUHFJRWQFS-UHFFFAOYSA-N 1 0 297.362 2.634 50 0 CFAARO Cn1cncc1C[N@@H+]1CCc2ccccc2C1(C)C ZINC000573099864 383871847 /nfs/dbraw/zinc/87/18/47/383871847.db2.gz ALEWOOHMAQEJFO-UHFFFAOYSA-N 1 0 255.365 2.714 50 0 CFAARO C[C@@H]1CCN(c2ncccn2)CC[N@@H+]1Cc1ccccc1 ZINC000266237117 384123271 /nfs/dbraw/zinc/12/32/71/384123271.db2.gz VSQXKHDTJXVTSS-OAHLLOKOSA-N 1 0 282.391 2.577 50 0 CFAARO Cc1ccc([C@H](C)NC(=O)N(C)CC[NH+](C)C)c(C)c1 ZINC000267077205 384293403 /nfs/dbraw/zinc/29/34/03/384293403.db2.gz RTCCSKYBQAPIPT-AWEZNQCLSA-N 1 0 277.412 2.567 50 0 CFAARO COc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)nn1 ZINC000283021626 385424888 /nfs/dbraw/zinc/42/48/88/385424888.db2.gz GXDFJFAOWFCMRQ-CZUORRHYSA-N 1 0 283.375 2.863 50 0 CFAARO CCn1ncnc1C[NH2+]C[C@@]1(c2ccccc2)CC1(C)C ZINC000639340956 385465392 /nfs/dbraw/zinc/46/53/92/385465392.db2.gz RWPBCHXSABWTQB-QGZVFWFLSA-N 1 0 284.407 2.756 50 0 CFAARO OC1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000095419134 285244732 /nfs/dbraw/zinc/24/47/32/285244732.db2.gz YSXYMAXUQSPUFJ-PIMMBPRGSA-N 1 0 261.365 2.793 50 0 CFAARO C[NH+](C)CC[C@H](OC(=O)C1CCOCC1)c1ccccc1 ZINC000096424074 256759372 /nfs/dbraw/zinc/75/93/72/256759372.db2.gz WGHOOJGRKFTXCS-INIZCTEOSA-N 1 0 291.391 2.649 50 0 CFAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CCc1ccc(Cl)cc1 ZINC000237472209 256850945 /nfs/dbraw/zinc/85/09/45/256850945.db2.gz ODYLDPRNXRPNSY-RISCZKNCSA-N 1 0 280.799 2.611 50 0 CFAARO CC[NH+]1CCC(CC(=O)N[C@@H](C)Cc2ccsc2)CC1 ZINC000095352419 184949635 /nfs/dbraw/zinc/94/96/35/184949635.db2.gz RURGLQUMFIVQRH-ZDUSSCGKSA-N 1 0 294.464 2.917 50 0 CFAARO CCCc1nnc(N(C)CC2CC[NH+](CC(C)C)CC2)o1 ZINC000095355238 184951402 /nfs/dbraw/zinc/95/14/02/184951402.db2.gz RFGYJUFQKOBYCQ-UHFFFAOYSA-N 1 0 294.443 2.826 50 0 CFAARO CC(C)c1cc(NC[C@H](C(C)C)[NH+](C)C)ncn1 ZINC000095362635 184953045 /nfs/dbraw/zinc/95/30/45/184953045.db2.gz QVWRZGVUXKBABB-CYBMUJFWSA-N 1 0 250.390 2.598 50 0 CFAARO CCC[N@@H+]1CCC[C@H](CNc2ncc(CC)cn2)C1 ZINC000095368031 184955312 /nfs/dbraw/zinc/95/53/12/184955312.db2.gz PXFILULMWDLJIJ-CQSZACIVSA-N 1 0 262.401 2.573 50 0 CFAARO CC(=O)NCCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000095377460 184958813 /nfs/dbraw/zinc/95/88/13/184958813.db2.gz XBZRJNKDEQYBMC-MRXNPFEDSA-N 1 0 260.381 2.658 50 0 CFAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(F)c(F)c1)[NH2+]CC2 ZINC000004031343 285379055 /nfs/dbraw/zinc/37/90/55/285379055.db2.gz JMEOWFDQSWXKOY-DFBGVHRSSA-N 1 0 267.319 2.921 50 0 CFAARO Cn1cncc1C[NH2+]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000237932210 131066828 /nfs/dbraw/zinc/06/68/28/131066828.db2.gz DOPMFMAZTXDLFD-RDJZCZTQSA-N 1 0 285.391 2.678 50 0 CFAARO C/C(=C\C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000269279308 132148546 /nfs/dbraw/zinc/14/85/46/132148546.db2.gz NYXVKZPXJWKDBX-UQSGXBNBSA-N 1 0 298.308 2.668 50 0 CFAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000000212612 393449912 /nfs/dbraw/zinc/44/99/12/393449912.db2.gz UEKJVXUQMOCLNF-CQSZACIVSA-N 1 0 252.402 2.509 50 0 CFAARO FC(F)(F)c1cccc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000005886352 393462529 /nfs/dbraw/zinc/46/25/29/393462529.db2.gz BSYJUQDHTDPFMZ-NSHDSACASA-N 1 0 267.254 2.664 50 0 CFAARO CC[C@@H](C1N=NC(=S)N1c1ccccc1)N(C)C ZINC000019229948 393483490 /nfs/dbraw/zinc/48/34/90/393483490.db2.gz BVVNCJCHPFPSFY-NSHDSACASA-N 1 0 262.382 2.569 50 0 CFAARO Cc1ccsc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000009015669 393470224 /nfs/dbraw/zinc/47/02/24/393470224.db2.gz OTNYPQCJSZPQSL-GFCCVEGCSA-N 1 0 283.360 2.503 50 0 CFAARO CC(C)Cc1ccc(C[N@H+]2CCC(=O)N(C)CC2)cc1 ZINC000012513704 393473553 /nfs/dbraw/zinc/47/35/53/393473553.db2.gz UZSXCDRZQATGQN-UHFFFAOYSA-N 1 0 274.408 2.549 50 0 CFAARO CC(C)=CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012718396 393475299 /nfs/dbraw/zinc/47/52/99/393475299.db2.gz DHPGRTMIABHNOM-KRWDZBQOSA-N 1 0 276.424 2.677 50 0 CFAARO CCC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012574234 393475962 /nfs/dbraw/zinc/47/59/62/393475962.db2.gz YEMTTZPXBYSFAR-ZDUSSCGKSA-N 1 0 252.402 2.700 50 0 CFAARO C(C1CCC2(CC1)OCCO2)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000190191328 393579322 /nfs/dbraw/zinc/57/93/22/393579322.db2.gz KUKWPYSPMSHOFF-CVEARBPZSA-N 1 0 295.423 2.563 50 0 CFAARO CC(C)(O)C1CC[NH+](C[C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000055307995 393620358 /nfs/dbraw/zinc/62/03/58/393620358.db2.gz LQECCEPCSXGNBM-DOTOQJQBSA-N 1 0 294.483 2.734 50 0 CFAARO c1c2ccccc2oc1-c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000062797063 393628638 /nfs/dbraw/zinc/62/86/38/393628638.db2.gz WCOSJGISCXBZBT-LLVKDONJSA-N 1 0 269.304 2.950 50 0 CFAARO CCCC(CCC)[NH+]1CCC2(CC1)NC(C1CC1)=NC2=O ZINC000063883721 393629433 /nfs/dbraw/zinc/62/94/33/393629433.db2.gz IBVVQCVVENEPGM-UHFFFAOYSA-N 1 0 291.439 2.728 50 0 CFAARO COc1c(C[NH2+][C@H]2CCc3cc(C)ccc32)c(C)nn1C ZINC000065474694 393631571 /nfs/dbraw/zinc/63/15/71/393631571.db2.gz FZKSFHQKMQMGMD-INIZCTEOSA-N 1 0 285.391 2.823 50 0 CFAARO Cc1cc2c(c(-c3ncccc3C)c1)O[C@@H](C[NH3+])C2 ZINC000067641484 393634638 /nfs/dbraw/zinc/63/46/38/393634638.db2.gz QUSJDHZSYBSNAV-CYBMUJFWSA-N 1 0 254.333 2.628 50 0 CFAARO CC(C)Oc1ccccc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000069417832 393636676 /nfs/dbraw/zinc/63/66/76/393636676.db2.gz PAYXOQCNESJZGV-DZGCQCFKSA-N 1 0 290.407 2.560 50 0 CFAARO Cc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1C ZINC000070176130 393638493 /nfs/dbraw/zinc/63/84/93/393638493.db2.gz HIVDYVYMGPONAZ-WFASDCNBSA-N 1 0 260.381 2.503 50 0 CFAARO C[C@H]([C@H](C)[NH2+]C[C@H](O)c1ccccc1Cl)n1cccn1 ZINC000071882035 393641496 /nfs/dbraw/zinc/64/14/96/393641496.db2.gz FVRMCZYCHFNMFI-ZOWXZIJZSA-N 1 0 293.798 2.809 50 0 CFAARO Cc1cccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193997121 393670950 /nfs/dbraw/zinc/67/09/50/393670950.db2.gz MOSCUTPKIPENCG-HNNXBMFYSA-N 1 0 285.391 2.977 50 0 CFAARO CC(C)[NH2+]C[C@@H](O)CO[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000205579095 393750961 /nfs/dbraw/zinc/75/09/61/393750961.db2.gz IXLSSBPTUXEGSB-FPCVCCKLSA-N 1 0 271.445 2.823 50 0 CFAARO C[C@@H]1CCC[C@H]1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000222488305 393762903 /nfs/dbraw/zinc/76/29/03/393762903.db2.gz YNHPVKYUSWWEAF-DGADGQDISA-N 1 0 269.429 2.530 50 0 CFAARO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)NCc2cccnc2)[C@@H](C)C1 ZINC000222285305 393762987 /nfs/dbraw/zinc/76/29/87/393762987.db2.gz SUFFHPQTUQEWLS-IJEWVQPXSA-N 1 0 289.423 2.502 50 0 CFAARO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1 ZINC000195000128 393727195 /nfs/dbraw/zinc/72/71/95/393727195.db2.gz PIYDQEVYSKBYOJ-LLVKDONJSA-N 1 0 288.347 2.655 50 0 CFAARO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C1 ZINC000225464027 393768975 /nfs/dbraw/zinc/76/89/75/393768975.db2.gz HNPUGYICPKCVMH-IJLUTSLNSA-N 1 0 287.329 2.978 50 0 CFAARO C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CO)C1 ZINC000242339063 393798119 /nfs/dbraw/zinc/79/81/19/393798119.db2.gz ZEPVHIXVTXQWKD-LAVFITLUSA-N 1 0 288.435 2.573 50 0 CFAARO c1ccc2c(c1)C[N@@H+](CCC1OCCO1)CC21CCC1 ZINC000239722358 393798204 /nfs/dbraw/zinc/79/82/04/393798204.db2.gz CCLVNUAVFWOLIG-UHFFFAOYSA-N 1 0 273.376 2.687 50 0 CFAARO Cc1ccc(-c2cncnc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096959190 393838932 /nfs/dbraw/zinc/83/89/32/393838932.db2.gz AVRAVIFRBCHAES-CQSZACIVSA-N 1 0 253.349 2.919 50 0 CFAARO CC(C)=CC[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000096424286 393829520 /nfs/dbraw/zinc/82/95/20/393829520.db2.gz YAKNABDHTFMQKR-HNNXBMFYSA-N 1 0 259.397 2.726 50 0 CFAARO Clc1ccccc1Cn1c[n+](Cc2ccccc2)cn1 ZINC000252495553 393936015 /nfs/dbraw/zinc/93/60/15/393936015.db2.gz OTGJKKNRRDCXRT-UHFFFAOYSA-N 1 0 284.770 2.921 50 0 CFAARO Cc1nccn1CCC[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000252495975 393936093 /nfs/dbraw/zinc/93/60/93/393936093.db2.gz PDZZNCRXEYHORW-UHFFFAOYSA-N 1 0 285.391 2.952 50 0 CFAARO CCCC(CCC)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000252510749 393936882 /nfs/dbraw/zinc/93/68/82/393936882.db2.gz ZPTCQQNZRYVZPE-SNVBAGLBSA-N 1 0 251.378 2.627 50 0 CFAARO COc1ccc([C@H](Cc2ccccc2)[C@@H](C[NH3+])CO)cc1 ZINC000524734040 394381881 /nfs/dbraw/zinc/38/18/81/394381881.db2.gz QBOGGFBEPLHVAD-WMZOPIPTSA-N 1 0 285.387 2.589 50 0 CFAARO C[C@H]1CN(c2ccccc2C[NH2+]C2CC2)C[C@H](C)O1 ZINC000034823269 135083432 /nfs/dbraw/zinc/08/34/32/135083432.db2.gz FJHCSZVTMARRAT-STQMWFEESA-N 1 0 260.381 2.552 50 0 CFAARO C[NH+]1CCC2(CCN(c3cnc4ccccc4n3)C2)CC1 ZINC000647842816 395442968 /nfs/dbraw/zinc/44/29/68/395442968.db2.gz MHADOHGSSMNMCY-UHFFFAOYSA-N 1 0 282.391 2.552 50 0 CFAARO CCCNC(=O)c1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000047794004 397587816 /nfs/dbraw/zinc/58/78/16/397587816.db2.gz WFZFPRUEDNWZJK-UHFFFAOYSA-N 1 0 283.375 2.511 50 0 CFAARO COc1ccc([C@H](C)[NH2+]CCn2cccn2)cc1Cl ZINC000071879187 286369347 /nfs/dbraw/zinc/36/93/47/286369347.db2.gz VRKHICIWLPMOQZ-NSHDSACASA-N 1 0 279.771 2.896 50 0 CFAARO Cc1nnc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000825296797 782008290 /nfs/dbraw/zinc/00/82/90/782008290.db2.gz TULTZRVGXRVOIL-LBPRGKRZSA-N 1 0 280.441 2.913 50 0 CFAARO CC(C)(C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C(F)F ZINC000350019621 163051734 /nfs/dbraw/zinc/05/17/34/163051734.db2.gz QFFRIEDDJKCDMW-GFCCVEGCSA-N 1 0 288.382 2.612 50 0 CFAARO CC[C@@]1(C)C[C@](O)(CC[NH2+]Cc2ccccc2)CCO1 ZINC000001801290 169757464 /nfs/dbraw/zinc/75/74/64/169757464.db2.gz IXXDOBQTAJWJNA-IRXDYDNUSA-N 1 0 277.408 2.877 50 0 CFAARO CC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000002158449 169777700 /nfs/dbraw/zinc/77/77/00/169777700.db2.gz VANXNIWFYXJLEP-JTQLQIEISA-N 1 0 275.801 2.502 50 0 CFAARO CC[C@@H]1C[N@H+](C)CC[C@@]1(OC(C)=O)c1ccccc1 ZINC000013152608 287185162 /nfs/dbraw/zinc/18/51/62/287185162.db2.gz LOWQPSFXEWFNSB-ZBFHGGJFSA-N 1 0 261.365 2.807 50 0 CFAARO C[NH+](C)CCCOc1cccc(Br)c1 ZINC000002824015 169834470 /nfs/dbraw/zinc/83/44/70/169834470.db2.gz FMYWALTVPROHIA-UHFFFAOYSA-N 1 0 258.159 2.780 50 0 CFAARO OCC[NH2+]CCCCOc1cc(Cl)ccc1Cl ZINC000002933311 169845145 /nfs/dbraw/zinc/84/51/45/169845145.db2.gz SJBHJDSVSAWOTC-UHFFFAOYSA-N 1 0 278.179 2.734 50 0 CFAARO O[C@@H](C[NH2+]CC1CCCCC1)COc1ccccc1 ZINC000003298541 169876295 /nfs/dbraw/zinc/87/62/95/169876295.db2.gz YOUKCWSAFDWXJM-HNNXBMFYSA-N 1 0 263.381 2.596 50 0 CFAARO O=C(Nc1cccc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000004714015 170004162 /nfs/dbraw/zinc/00/41/62/170004162.db2.gz ZQCHGLIQYCHSGJ-HNNXBMFYSA-N 1 0 254.333 2.920 50 0 CFAARO COC[C@H](C)[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000004838066 170027002 /nfs/dbraw/zinc/02/70/02/170027002.db2.gz HZARHADGQPNARO-LBPRGKRZSA-N 1 0 259.349 2.973 50 0 CFAARO FC(F)(F)c1cccc(OCC[NH2+]C[C@H]2CCCO2)c1 ZINC000004841805 170028497 /nfs/dbraw/zinc/02/84/97/170028497.db2.gz JUVXKBVGHYDEQN-CYBMUJFWSA-N 1 0 289.297 2.853 50 0 CFAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC000004866617 170033481 /nfs/dbraw/zinc/03/34/81/170033481.db2.gz GHGMBMMNNBAQKX-ZDUSSCGKSA-N 1 0 266.772 2.554 50 0 CFAARO CC[NH+](CC)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000004977178 170048341 /nfs/dbraw/zinc/04/83/41/170048341.db2.gz PJLIDTGUBBDCLX-UHFFFAOYSA-N 1 0 288.435 2.956 50 0 CFAARO C[C@@H]([NH2+]C[C@]1(O)CCOC(C)(C)C1)c1cccs1 ZINC000005051498 170061467 /nfs/dbraw/zinc/06/14/67/170061467.db2.gz KJRIMWMASAAALK-RISCZKNCSA-N 1 0 269.410 2.719 50 0 CFAARO CCC(=O)c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000005067732 170063401 /nfs/dbraw/zinc/06/34/01/170063401.db2.gz CQUDAXVIPIKFOT-OAHLLOKOSA-N 1 0 291.391 2.505 50 0 CFAARO Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000005073601 170064315 /nfs/dbraw/zinc/06/43/15/170064315.db2.gz IRPDBKXAAKRETB-HNNXBMFYSA-N 1 0 263.381 2.529 50 0 CFAARO C[NH+](C)CCNC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000005557594 170113244 /nfs/dbraw/zinc/11/32/44/170113244.db2.gz PGPWEYQXQZBJAT-UHFFFAOYSA-N 1 0 282.387 2.574 50 0 CFAARO O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CCCC1 ZINC000005612804 170119655 /nfs/dbraw/zinc/11/96/55/170119655.db2.gz YYFLWZYFBSLRLQ-UHFFFAOYSA-N 1 0 278.440 2.901 50 0 CFAARO COc1ccc(-c2cc(C3CC[NH2+]CC3)[nH]n2)cc1 ZINC000005625627 170121449 /nfs/dbraw/zinc/12/14/49/170121449.db2.gz COIYXFVVNCSMKH-UHFFFAOYSA-N 1 0 257.337 2.552 50 0 CFAARO COc1ccc(NC(=O)C[C@@H](C)[NH+]2CCCC2)cc1 ZINC000005696609 170129788 /nfs/dbraw/zinc/12/97/88/170129788.db2.gz XZEHGPKVLVVUBP-GFCCVEGCSA-N 1 0 262.353 2.508 50 0 CFAARO C[C@H](O)C[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000005911938 170154169 /nfs/dbraw/zinc/15/41/69/170154169.db2.gz IVQFKCYTAUTZKD-ZDUSSCGKSA-N 1 0 289.350 2.875 50 0 CFAARO COc1cc(OC)c(OC)cc1C[NH2+]C(C)(C)C ZINC000006882520 170252054 /nfs/dbraw/zinc/25/20/54/170252054.db2.gz MCWCHZSXKNUUJX-UHFFFAOYSA-N 1 0 253.342 2.601 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000008130552 170319972 /nfs/dbraw/zinc/31/99/72/170319972.db2.gz GHDYLCYFBLMBQQ-UHFFFAOYSA-N 1 0 299.418 2.701 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+][C@H](CC)CO ZINC000008327053 170331408 /nfs/dbraw/zinc/33/14/08/170331408.db2.gz NKWOOWOEBMWLFL-GFCCVEGCSA-N 1 0 257.761 2.599 50 0 CFAARO CCOc1ccc(Cl)cc1C[NH2+][C@@H](CC)CO ZINC000008326308 170331513 /nfs/dbraw/zinc/33/15/13/170331513.db2.gz NKWOOWOEBMWLFL-LBPRGKRZSA-N 1 0 257.761 2.599 50 0 CFAARO COc1ccc2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc2c1 ZINC000008619776 170343202 /nfs/dbraw/zinc/34/32/02/170343202.db2.gz UJKQAKZJBLUKSS-UHFFFAOYSA-N 1 0 286.375 2.959 50 0 CFAARO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[NH+](C)C ZINC000008700884 170346727 /nfs/dbraw/zinc/34/67/27/170346727.db2.gz WBSNLAYZIOQFBP-UHFFFAOYSA-N 1 0 250.729 2.964 50 0 CFAARO COc1ccc(Cl)cc1NC(=O)C[NH2+]C(C)(C)C ZINC000009602376 170382743 /nfs/dbraw/zinc/38/27/43/170382743.db2.gz JBLQLFNHIHULEK-UHFFFAOYSA-N 1 0 270.760 2.675 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000009690572 170384234 /nfs/dbraw/zinc/38/42/34/170384234.db2.gz JFZUKWIXTMJBJQ-UHFFFAOYSA-N 1 0 291.395 2.730 50 0 CFAARO Fc1cc(Br)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000014631822 170640494 /nfs/dbraw/zinc/64/04/94/170640494.db2.gz ORBKYIDBCZAEFB-SECBINFHSA-N 1 0 274.133 2.719 50 0 CFAARO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000019280996 170771314 /nfs/dbraw/zinc/77/13/14/170771314.db2.gz WLXCBZJAZCSTCK-CYBMUJFWSA-N 1 0 274.408 2.714 50 0 CFAARO c1ccn2c(c1)nnc2CC[NH2+]C1CCCCCCC1 ZINC000020128160 171014299 /nfs/dbraw/zinc/01/42/99/171014299.db2.gz YCFGRXWSNIGYHV-UHFFFAOYSA-N 1 0 272.396 2.974 50 0 CFAARO C[N@H+]([C@@H]1CC(=O)N(c2ccccc2)C1=O)C1CCCCC1 ZINC000020137104 171024282 /nfs/dbraw/zinc/02/42/82/171024282.db2.gz FKFWODBWXIEGEP-OAHLLOKOSA-N 1 0 286.375 2.583 50 0 CFAARO CC(C)CCN1CC[N@@H+](C2CCCCC2)C[C@@H]1CCO ZINC000020202788 171066873 /nfs/dbraw/zinc/06/68/73/171066873.db2.gz HVZIPUYGFMSRMU-KRWDZBQOSA-N 1 0 282.472 2.734 50 0 CFAARO Clc1ccccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000020268749 171125164 /nfs/dbraw/zinc/12/51/64/171125164.db2.gz UULMBHYZCJCVJR-UHFFFAOYSA-N 1 0 263.728 2.857 50 0 CFAARO O=C(NCc1ccoc1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000020501012 171227139 /nfs/dbraw/zinc/22/71/39/171227139.db2.gz LTFZSDYRQDBZSP-LLVKDONJSA-N 1 0 276.361 2.696 50 0 CFAARO c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cs1 ZINC000020538156 171240970 /nfs/dbraw/zinc/24/09/70/171240970.db2.gz APHLBOJQIJKAFK-CQSZACIVSA-N 1 0 250.411 2.808 50 0 CFAARO CC(C)CC[N@@H+]1CCN(Cc2ccsc2)C[C@@H]1CCO ZINC000020537004 171241245 /nfs/dbraw/zinc/24/12/45/171241245.db2.gz FKRRBSWYRSWZAP-INIZCTEOSA-N 1 0 296.480 2.663 50 0 CFAARO Cc1nc(CN(C)C(=O)CC[N@H+]2CCC[C@H](C)C2)cs1 ZINC000020535788 171241307 /nfs/dbraw/zinc/24/13/07/171241307.db2.gz ZCYFMGXYZYZSLF-LBPRGKRZSA-N 1 0 295.452 2.532 50 0 CFAARO CCc1ccccc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000020544130 171242901 /nfs/dbraw/zinc/24/29/01/171242901.db2.gz RCLWJIKVOCVCHM-UHFFFAOYSA-N 1 0 275.396 2.807 50 0 CFAARO CC[NH+]1CCC(NC(=O)c2cc(C)cc(C)c2)CC1 ZINC000020608754 171267689 /nfs/dbraw/zinc/26/76/89/171267689.db2.gz GQHSHDCFZNHIKH-UHFFFAOYSA-N 1 0 260.381 2.518 50 0 CFAARO C[C@@H]1CN(CCOc2ccc3c(c2)CCC3)C[C@@H](C)O1 ZINC000020653437 171268684 /nfs/dbraw/zinc/26/86/84/171268684.db2.gz GMACMQQFZYBZSG-ZIAGYGMSSA-N 1 0 275.392 2.663 50 0 CFAARO C[C@@H]1CN(CCOc2ccc(Cl)cc2C=O)C[C@@H](C)O1 ZINC000020652585 171268920 /nfs/dbraw/zinc/26/89/20/171268920.db2.gz YHFJCTBWHDEHGS-VXGBXAGGSA-N 1 0 297.782 2.641 50 0 CFAARO O=C(Cc1ccsc1)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000020858569 171276463 /nfs/dbraw/zinc/27/64/63/171276463.db2.gz IYLUHQGKNZKGGN-HNNXBMFYSA-N 1 0 292.448 2.625 50 0 CFAARO CC[NH2+]Cc1cc(Br)cc(OC)c1OC ZINC000020933726 171280869 /nfs/dbraw/zinc/28/08/69/171280869.db2.gz KDZBZHYFZUSNAC-UHFFFAOYSA-N 1 0 274.158 2.576 50 0 CFAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1 ZINC000020948209 171281978 /nfs/dbraw/zinc/28/19/78/171281978.db2.gz ZZAWODUUVOUDNE-OAHLLOKOSA-N 1 0 268.360 2.537 50 0 CFAARO O=C(CCn1cccn1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000020989197 171283312 /nfs/dbraw/zinc/28/33/12/171283312.db2.gz AXNXDFRSHWNUBZ-UHFFFAOYSA-N 1 0 298.390 2.508 50 0 CFAARO COc1ccc(C[C@H]2C[N@H+](CCCSC)CCO2)cc1 ZINC000020999838 171284037 /nfs/dbraw/zinc/28/40/37/171284037.db2.gz PKNPOSBQJSLZKY-INIZCTEOSA-N 1 0 295.448 2.692 50 0 CFAARO C[C@@H]1C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021961654 171342591 /nfs/dbraw/zinc/34/25/91/171342591.db2.gz YLAUNYJPFWJQNB-PBHICJAKSA-N 1 0 286.419 2.945 50 0 CFAARO Cc1ccsc1C[NH2+][C@H](C)[C@H](O)c1ccc(O)cc1 ZINC000022356609 171385464 /nfs/dbraw/zinc/38/54/64/171385464.db2.gz SPTINGYTVHDLDY-ABAIWWIYSA-N 1 0 277.389 2.974 50 0 CFAARO CN(CC[NH+](C)C)Cc1cc(Br)cs1 ZINC000022455095 171388352 /nfs/dbraw/zinc/38/83/52/171388352.db2.gz IMMWVIDURVSCBR-UHFFFAOYSA-N 1 0 277.231 2.504 50 0 CFAARO COc1ccc(CC[C@H](C)[NH2+]C2CCC(O)CC2)cc1 ZINC000023283537 171419258 /nfs/dbraw/zinc/41/92/58/171419258.db2.gz MERNAJWNUJJESS-JEYLPNPQSA-N 1 0 277.408 2.909 50 0 CFAARO COc1cccc2sc(NCCC[NH+](C)C)nc21 ZINC000026424004 171483816 /nfs/dbraw/zinc/48/38/16/171483816.db2.gz AYBCWVZAODOWBA-UHFFFAOYSA-N 1 0 265.382 2.669 50 0 CFAARO C[C@H](C1CC1)[N@H+](CC(=O)N1CCc2ccccc21)C1CC1 ZINC000032814807 171752424 /nfs/dbraw/zinc/75/24/24/171752424.db2.gz XREDQRALSWVAPN-CYBMUJFWSA-N 1 0 284.403 2.839 50 0 CFAARO COCCC[NH2+]Cc1cc(Br)cs1 ZINC000034937278 171897347 /nfs/dbraw/zinc/89/73/47/171897347.db2.gz YPKKUDLAFJFARJ-UHFFFAOYSA-N 1 0 264.188 2.637 50 0 CFAARO Clc1ccc(CN2CCC[NH2+]CC2)cc1Cl ZINC000034958713 171904677 /nfs/dbraw/zinc/90/46/77/171904677.db2.gz MNVGPMNPNODFAY-UHFFFAOYSA-N 1 0 259.180 2.789 50 0 CFAARO C[C@H](Cn1ccnc1)[NH2+]Cc1cccc2cccnc21 ZINC000035274765 172095931 /nfs/dbraw/zinc/09/59/31/172095931.db2.gz NMIOPNIRYHEBMW-CYBMUJFWSA-N 1 0 266.348 2.610 50 0 CFAARO Cc1cc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)nc(C)n1 ZINC000659849185 414586482 /nfs/dbraw/zinc/58/64/82/414586482.db2.gz OJFIQRVIZDTYRZ-HNNXBMFYSA-N 1 0 297.406 2.571 50 0 CFAARO C[NH+](C)C1(CNC(=O)CCc2cccc(F)c2)CCCC1 ZINC000040092704 174189436 /nfs/dbraw/zinc/18/94/36/174189436.db2.gz GZHDQJNDQHZBPW-UHFFFAOYSA-N 1 0 292.398 2.749 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)Nc1cccnc1)c1ccsc1 ZINC000040498773 174295963 /nfs/dbraw/zinc/29/59/63/174295963.db2.gz YEYQYLXRNKNJLX-ZDUSSCGKSA-N 1 0 290.392 2.568 50 0 CFAARO C[N@H+](Cc1cnc2ccccc2n1)[C@H]1CCSC1 ZINC000660128117 414667393 /nfs/dbraw/zinc/66/73/93/414667393.db2.gz JQHYDKCQJDZEBE-LBPRGKRZSA-N 1 0 259.378 2.567 50 0 CFAARO CCOc1cc(CNCCC[NH2+]C)ccc1OC(C)C ZINC000040719579 174385544 /nfs/dbraw/zinc/38/55/44/174385544.db2.gz HFVJUHUSEBAHNA-UHFFFAOYSA-N 1 0 280.412 2.572 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+]C[C@H](C)O ZINC000040743862 174391444 /nfs/dbraw/zinc/39/14/44/174391444.db2.gz DILXDYQBEBCQJO-JTQLQIEISA-N 1 0 257.761 2.599 50 0 CFAARO [NH3+]Cc1ccc(Oc2ncnc3ccsc32)cc1 ZINC000043558765 175064939 /nfs/dbraw/zinc/06/49/39/175064939.db2.gz FJRNOGWDTXLBPQ-UHFFFAOYSA-N 1 0 257.318 2.942 50 0 CFAARO O[C@H](C[NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1F ZINC000044353106 175166732 /nfs/dbraw/zinc/16/67/32/175166732.db2.gz VJNAHOHVQOVNKC-IAQYHMDHSA-N 1 0 267.319 2.944 50 0 CFAARO O=C(NC[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1Cl ZINC000044501873 175185719 /nfs/dbraw/zinc/18/57/19/175185719.db2.gz VBGPMVZWGCFVSA-VIFPVBQESA-N 1 0 287.190 2.723 50 0 CFAARO Cc1ccc(C(=O)N2CCc3ccc(C[NH3+])cc32)cc1 ZINC000045795955 175384018 /nfs/dbraw/zinc/38/40/18/175384018.db2.gz PVHKTIFSPHUIJW-UHFFFAOYSA-N 1 0 266.344 2.657 50 0 CFAARO CCC(C)(C)[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944798 175387244 /nfs/dbraw/zinc/38/72/44/175387244.db2.gz BPJFVHYUGVSQOD-UHFFFAOYSA-N 1 0 258.369 2.760 50 0 CFAARO Brc1ccc(S[C@H]2CC[NH2+]C2)cc1 ZINC000051784090 175524694 /nfs/dbraw/zinc/52/46/94/175524694.db2.gz UPSQZZUZDOKRFM-JTQLQIEISA-N 1 0 258.184 2.903 50 0 CFAARO Cn1ccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)cc1=O ZINC000052106158 175532032 /nfs/dbraw/zinc/53/20/32/175532032.db2.gz FRHDXTKQKZMUAD-SFHVURJKSA-N 1 0 296.414 2.983 50 0 CFAARO [NH3+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000063077100 175681806 /nfs/dbraw/zinc/68/18/06/175681806.db2.gz XFISAGSHNUYXMR-UHFFFAOYSA-N 1 0 261.243 2.550 50 0 CFAARO CCN(CC)c1cccc(OCC2CC[NH2+]CC2)c1 ZINC000066341703 175757502 /nfs/dbraw/zinc/75/75/02/175757502.db2.gz YDWPGENFBBOACS-UHFFFAOYSA-N 1 0 262.397 2.911 50 0 CFAARO CC(C)c1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)nn1 ZINC000067879816 175799453 /nfs/dbraw/zinc/79/94/53/175799453.db2.gz FCBSTVSIOIKSMD-LBPRGKRZSA-N 1 0 269.348 2.529 50 0 CFAARO CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000068577476 175811627 /nfs/dbraw/zinc/81/16/27/175811627.db2.gz BCUFIZDAINPDHF-CABCVRRESA-N 1 0 276.380 2.786 50 0 CFAARO c1nc2n(n1)C[C@H]([NH2+]Cc1csc3ccccc13)CC2 ZINC000069459822 175831914 /nfs/dbraw/zinc/83/19/14/175831914.db2.gz GOGASXDMAIPIKZ-GFCCVEGCSA-N 1 0 284.388 2.597 50 0 CFAARO NC(=[NH2+])NCc1ccccc1Sc1ccccc1 ZINC000069656028 175845443 /nfs/dbraw/zinc/84/54/43/175845443.db2.gz UPXLUJUEMKNTPY-UHFFFAOYSA-N 1 0 257.362 2.821 50 0 CFAARO CC1CCC(C)([NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000069738931 175850139 /nfs/dbraw/zinc/85/01/39/175850139.db2.gz RESRXZHGISCLSQ-UHFFFAOYSA-N 1 0 290.407 2.609 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2csc3ccccc23)C1 ZINC000071142711 176040618 /nfs/dbraw/zinc/04/06/18/176040618.db2.gz FXKIYBWWUGJGHA-LLVKDONJSA-N 1 0 274.389 2.583 50 0 CFAARO CCCc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000071278846 176108135 /nfs/dbraw/zinc/10/81/35/176108135.db2.gz PQWFKYMDTBAXLJ-OAHLLOKOSA-N 1 0 274.408 2.711 50 0 CFAARO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3ccnc(C(C)C)n3)C2)n1 ZINC000071746771 176258884 /nfs/dbraw/zinc/25/88/84/176258884.db2.gz QJVCBSFKKKSXAJ-MRXNPFEDSA-N 1 0 299.422 2.860 50 0 CFAARO C[C@H]1CCC[C@@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000071803452 176266574 /nfs/dbraw/zinc/26/65/74/176266574.db2.gz IJAAWNWLOOADRG-GOEBONIOSA-N 1 0 295.471 2.796 50 0 CFAARO CCOc1ccccc1C[NH2+]Cc1c(C)n[nH]c1C ZINC000071825249 176271788 /nfs/dbraw/zinc/27/17/88/176271788.db2.gz FJZZRGAIJHQNBN-UHFFFAOYSA-N 1 0 259.353 2.715 50 0 CFAARO C[C@@H](O)c1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000071825319 176272093 /nfs/dbraw/zinc/27/20/93/176272093.db2.gz PJBMJPREBAXUBM-CYBMUJFWSA-N 1 0 299.370 2.801 50 0 CFAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc2ccccc2n1 ZINC000071834737 176273190 /nfs/dbraw/zinc/27/31/90/176273190.db2.gz VGUOMJQXXBUHOE-HNNXBMFYSA-N 1 0 297.402 2.791 50 0 CFAARO Cc1n[nH]cc1CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071837279 176274057 /nfs/dbraw/zinc/27/40/57/176274057.db2.gz JBJJOJRXCUJMCH-QGZVFWFLSA-N 1 0 298.434 2.720 50 0 CFAARO CCOc1cccc([C@H](C)[NH2+]Cc2c[nH]nc2C)c1 ZINC000071842074 176274730 /nfs/dbraw/zinc/27/47/30/176274730.db2.gz MYXFSXQSDVGEFF-NSHDSACASA-N 1 0 259.353 2.968 50 0 CFAARO Cc1cnn(CC[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000071872130 176284451 /nfs/dbraw/zinc/28/44/51/176284451.db2.gz YUQWACLTENNRPL-OAHLLOKOSA-N 1 0 257.381 2.802 50 0 CFAARO COc1cccc(N2CC[C@H](C[NH2+]Cc3ccco3)C2)c1 ZINC000071924602 176301559 /nfs/dbraw/zinc/30/15/59/176301559.db2.gz SQJWPKGTQJHELP-CQSZACIVSA-N 1 0 286.375 2.904 50 0 CFAARO CC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000072117491 176319091 /nfs/dbraw/zinc/31/90/91/176319091.db2.gz NXZBPAZUOCLLNA-OAHLLOKOSA-N 1 0 260.381 2.596 50 0 CFAARO CCc1nn(C)c(Cl)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000072133254 176321965 /nfs/dbraw/zinc/32/19/65/176321965.db2.gz IMWIPTVANGXHTO-LBPRGKRZSA-N 1 0 298.862 2.552 50 0 CFAARO CC(C)[NH2+][C@@H]1CC[C@@H]1NC(=O)Cc1ccccc1Cl ZINC000072157461 176329585 /nfs/dbraw/zinc/32/95/85/176329585.db2.gz ZWAPEFUDALSTSU-KGLIPLIRSA-N 1 0 280.799 2.528 50 0 CFAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3ccccc3cn2)CC1 ZINC000072163181 176330746 /nfs/dbraw/zinc/33/07/46/176330746.db2.gz ZUPXBGLLANIYJM-INIZCTEOSA-N 1 0 297.402 2.791 50 0 CFAARO CC(C)C[C@H]1CN(Cc2cccc(Cl)c2)[C@@H](CO)C[NH2+]1 ZINC000072233659 176344832 /nfs/dbraw/zinc/34/48/32/176344832.db2.gz UJMNVAUISSPJDS-JKSUJKDBSA-N 1 0 296.842 2.521 50 0 CFAARO Cc1csc([C@@H]2CCCCN2C(=O)C[N@@H+](C)C2CC2)n1 ZINC000072300349 176364622 /nfs/dbraw/zinc/36/46/22/176364622.db2.gz LLOMQNZVDHFELX-ZDUSSCGKSA-N 1 0 293.436 2.599 50 0 CFAARO COC[C@@H](C)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000072304858 176366063 /nfs/dbraw/zinc/36/60/63/176366063.db2.gz RBBDGXIARXXLSQ-MRXNPFEDSA-N 1 0 298.430 2.992 50 0 CFAARO Cc1cnccc1-c1c[nH]nc1-c1ccc(C[NH3+])cc1 ZINC000072345709 176373318 /nfs/dbraw/zinc/37/33/18/176373318.db2.gz PKFDWVHRFWAQDE-UHFFFAOYSA-N 1 0 264.332 2.906 50 0 CFAARO C[N@H+](CC[C@H]1CCOC1=O)Cc1ccccc1Cl ZINC000079058575 177423796 /nfs/dbraw/zinc/42/37/96/177423796.db2.gz WGBGDNHLAHPPKB-NSHDSACASA-N 1 0 267.756 2.725 50 0 CFAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2F)C1 ZINC000013669971 260074915 /nfs/dbraw/zinc/07/49/15/260074915.db2.gz OMSHIZWTKGLEFK-OKILXGFUSA-N 1 0 292.398 2.924 50 0 CFAARO O=C(CC1CCCCCC1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000330219097 228070469 /nfs/dbraw/zinc/07/04/69/228070469.db2.gz JXHXBFOZZQWEPD-UHFFFAOYSA-N 1 0 298.390 2.988 50 0 CFAARO COc1ccc2c(c1)[nH]cc2[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000021793165 260122228 /nfs/dbraw/zinc/12/22/28/260122228.db2.gz STRRTSYABSODLA-KRWDZBQOSA-N 1 0 288.391 2.942 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000035292711 260150577 /nfs/dbraw/zinc/15/05/77/260150577.db2.gz YTDYZSCOKRCAOU-CVEARBPZSA-N 1 0 295.398 2.968 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[NH2+]2)C1 ZINC000091303637 273499609 /nfs/dbraw/zinc/49/96/09/273499609.db2.gz AZHAFTKTFKUDGE-CHWSQXEVSA-N 1 0 268.401 2.776 50 0 CFAARO CCCC[C@H](CO)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000032500581 273606417 /nfs/dbraw/zinc/60/64/17/273606417.db2.gz BMCLEVFXTDDKFY-UKRRQHHQSA-N 1 0 265.397 2.854 50 0 CFAARO C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CCCS1 ZINC000095969262 274206082 /nfs/dbraw/zinc/20/60/82/274206082.db2.gz VKCZJMCSERALHD-UONOGXRCSA-N 1 0 284.469 2.653 50 0 CFAARO C[C@@H]([NH3+])C(=O)N(CCc1ccccc1)c1ccccc1 ZINC000237444611 274234044 /nfs/dbraw/zinc/23/40/44/274234044.db2.gz PKHHXIYWLQQPAH-CQSZACIVSA-N 1 0 268.360 2.610 50 0 CFAARO C[C@@H]1CC(CC[NH+]2CCC(NC(N)=O)CC2)C[C@@H](C)C1 ZINC000089131694 274282913 /nfs/dbraw/zinc/28/29/13/274282913.db2.gz YXVVSALASUBEAM-STQMWFEESA-N 1 0 281.444 2.582 50 0 CFAARO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@@H](C)[NH2+]1 ZINC000054186792 274362940 /nfs/dbraw/zinc/36/29/40/274362940.db2.gz SGWRYODCWZLVHM-NXEZZACHSA-N 1 0 258.287 2.892 50 0 CFAARO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)[NH2+]1 ZINC000054186790 274362994 /nfs/dbraw/zinc/36/29/94/274362994.db2.gz SGWRYODCWZLVHM-AOOOYVTPSA-N 1 0 258.287 2.892 50 0 CFAARO Clc1ccc2c(c1)nc(N1CC[NH2+]CC1)c1cccn12 ZINC000045796004 274882873 /nfs/dbraw/zinc/88/28/73/274882873.db2.gz FRRPLJALNOTCSV-UHFFFAOYSA-N 1 0 286.766 2.551 50 0 CFAARO Clc1cccc(Cl)c1CN[C@@H]1CCC[NH2+]C1 ZINC000072203574 274883932 /nfs/dbraw/zinc/88/39/32/274883932.db2.gz WNQJCRHNHVUNGJ-SECBINFHSA-N 1 0 259.180 2.835 50 0 CFAARO c1cc2c(ncnc2NC2CC[NH+](C3CC3)CC2)s1 ZINC000014327224 275065432 /nfs/dbraw/zinc/06/54/32/275065432.db2.gz GRQYJIRGNCMNII-UHFFFAOYSA-N 1 0 274.393 2.730 50 0 CFAARO c1cc2n(n1)C[C@H](C[NH2+][C@H]1CCCc3ccccc31)CN2 ZINC000071888626 275065721 /nfs/dbraw/zinc/06/57/21/275065721.db2.gz BMBDRJIHQBHWCS-CJNGLKHVSA-N 1 0 282.391 2.592 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000091303639 275519115 /nfs/dbraw/zinc/51/91/15/275519115.db2.gz VFMSLOWWMDXQQG-CHWSQXEVSA-N 1 0 268.401 2.633 50 0 CFAARO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000091303641 275519291 /nfs/dbraw/zinc/51/92/91/275519291.db2.gz VFMSLOWWMDXQQG-QWHCGFSZSA-N 1 0 268.401 2.633 50 0 CFAARO CC(C)c1cc(Br)ccc1OC1C[NH2+]C1 ZINC000042769563 275725378 /nfs/dbraw/zinc/72/53/78/275725378.db2.gz OGQPIONTQZPGLY-UHFFFAOYSA-N 1 0 270.170 2.923 50 0 CFAARO CC(C)C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)c1ccccn1 ZINC000245338752 275916547 /nfs/dbraw/zinc/91/65/47/275916547.db2.gz OIAKCPUYYUPIAR-VNQPRFMTSA-N 1 0 262.397 2.919 50 0 CFAARO CCC[C@H](CNc1cc(C(C)C)nc2ccnn21)[NH+](C)C ZINC000072429676 276042082 /nfs/dbraw/zinc/04/20/82/276042082.db2.gz GSLOFFVUBKJJJC-CYBMUJFWSA-N 1 0 289.427 2.995 50 0 CFAARO CC[NH+](CC)C[C@H](C)NCc1nc2cc(C)ccc2[nH]1 ZINC000067871636 276108762 /nfs/dbraw/zinc/10/87/62/276108762.db2.gz JHPSYOLRMPCJHF-ZDUSSCGKSA-N 1 0 274.412 2.691 50 0 CFAARO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC12CCC2 ZINC000072308790 276141431 /nfs/dbraw/zinc/14/14/31/276141431.db2.gz YYACWZFAFXQMQR-UHFFFAOYSA-N 1 0 290.382 2.803 50 0 CFAARO CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@H]1[NH2+]CCN(C)C ZINC000019774442 276228809 /nfs/dbraw/zinc/22/88/09/276228809.db2.gz XFNDXCULCBDGRM-OAGGEKHMSA-N 1 0 298.471 2.676 50 0 CFAARO CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccccc1F ZINC000225561364 276638151 /nfs/dbraw/zinc/63/81/51/276638151.db2.gz YOQVJUKLNKCWKT-VBNZEHGJSA-N 1 0 280.387 2.586 50 0 CFAARO C[NH+](C)C[C@@H]1CCc2ccc(Br)cc2C1=O ZINC000034120134 276796643 /nfs/dbraw/zinc/79/66/43/276796643.db2.gz KUMUPICCPMUFIN-JTQLQIEISA-N 1 0 282.181 2.756 50 0 CFAARO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2nccs2)CC1 ZINC000097081034 277284765 /nfs/dbraw/zinc/28/47/65/277284765.db2.gz DGRJVBXOWMOTNQ-ZIAGYGMSSA-N 1 0 295.452 2.659 50 0 CFAARO CSC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130017290 278140194 /nfs/dbraw/zinc/14/01/94/278140194.db2.gz KDYXRDHZUAGFJL-HBNTYKKESA-N 1 0 285.375 2.811 50 0 CFAARO CSc1ccc2c(c1)CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000214980318 278174922 /nfs/dbraw/zinc/17/49/22/278174922.db2.gz OEUQSXZFHIWQDL-CYBMUJFWSA-N 1 0 276.449 2.766 50 0 CFAARO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccsc1 ZINC000090178685 278279768 /nfs/dbraw/zinc/27/97/68/278279768.db2.gz HAROZMHDKMLGBO-JQWIXIFHSA-N 1 0 266.410 2.798 50 0 CFAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(F)cc1Cl ZINC000063193579 278316681 /nfs/dbraw/zinc/31/66/81/278316681.db2.gz ZNRJIPQNWBCQKY-NOZJJQNGSA-N 1 0 284.762 2.821 50 0 CFAARO CC(C)(C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000429893474 278333603 /nfs/dbraw/zinc/33/36/03/278333603.db2.gz YLHNJBOWPHNYOF-AGIUHOORSA-N 1 0 252.402 2.541 50 0 CFAARO C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)[C@@H]1C[NH3+] ZINC000070176590 278477007 /nfs/dbraw/zinc/47/70/07/278477007.db2.gz AMYZELFISSJGKH-NOZJJQNGSA-N 1 0 284.762 2.679 50 0 CFAARO CC(C)CO[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000040520876 278929292 /nfs/dbraw/zinc/92/92/92/278929292.db2.gz MABZHSKZPRCYRE-CHWSQXEVSA-N 1 0 298.452 2.528 50 0 CFAARO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCS1 ZINC000095969269 279244824 /nfs/dbraw/zinc/24/48/24/279244824.db2.gz OZEWHCNUHFNCQV-UKRRQHHQSA-N 1 0 292.448 2.913 50 0 CFAARO Cc1noc(C(C)C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000071846610 279246669 /nfs/dbraw/zinc/24/66/69/279246669.db2.gz DLXTZLOBAJWJKU-CYBMUJFWSA-N 1 0 295.427 2.813 50 0 CFAARO C[C@H](C[NH+](C)C)[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000000000166 279280365 /nfs/dbraw/zinc/28/03/65/279280365.db2.gz KVHHQGIIZCJATJ-BXUZGUMPSA-N 1 0 255.789 2.831 50 0 endogenous,world CFAARO ClC1=CC[C@H]2C[N@H+](CCN3CCCCC3)C[C@@H]2C1 ZINC000020262781 279290065 /nfs/dbraw/zinc/29/00/65/279290065.db2.gz VBAVWASTSFNHBO-KBPBESRZSA-N 1 0 268.832 2.937 50 0 CFAARO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1cnccn1 ZINC000095978071 279366871 /nfs/dbraw/zinc/36/68/71/279366871.db2.gz PINBWMGEABGTND-BFQNTYOBSA-N 1 0 289.354 2.779 50 0 CFAARO CC[C@@H]1CCc2nc(NC(=O)C3([NH3+])CCCC3)sc2C1 ZINC000095956858 280338000 /nfs/dbraw/zinc/33/80/00/280338000.db2.gz MNHIXCCDFPHPRH-SNVBAGLBSA-N 1 0 293.436 2.868 50 0 CFAARO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H](C)[NH3+] ZINC000236718407 280357849 /nfs/dbraw/zinc/35/78/49/280357849.db2.gz ATIKFGGYBGUORR-ZWNOBZJWSA-N 1 0 268.788 2.843 50 0 CFAARO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000095983705 280372870 /nfs/dbraw/zinc/37/28/70/280372870.db2.gz IWGLJBJSJNEISR-VXGBXAGGSA-N 1 0 294.361 2.812 50 0 CFAARO [NH3+]CC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000095971106 280579118 /nfs/dbraw/zinc/57/91/18/280579118.db2.gz FYBXTCNUFVFBGQ-UHFFFAOYSA-N 1 0 262.259 2.529 50 0 CFAARO C[NH2+]C[C@@H]1CCCN(C(=O)/C=C\c2ccc(Cl)cc2)C1 ZINC000103818552 280582721 /nfs/dbraw/zinc/58/27/21/280582721.db2.gz OSRMXINWMQJVJA-PIZKADEWSA-N 1 0 292.810 2.811 50 0 CFAARO Cc1cc2sc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)nc2c(C)c1 ZINC000188844809 280712252 /nfs/dbraw/zinc/71/22/52/280712252.db2.gz AGGXTHAJVNOFMY-VHSXEESVSA-N 1 0 293.367 2.552 50 0 CFAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C(F)(F)F ZINC000005969554 281099035 /nfs/dbraw/zinc/09/90/35/281099035.db2.gz BUKDWQICSAAFJH-WCQYABFASA-N 1 0 298.308 2.692 50 0 CFAARO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CC2([NH3+])CCC2)C1 ZINC000237357548 281396259 /nfs/dbraw/zinc/39/62/59/281396259.db2.gz NPNSGIRSSHBXDU-CABCVRRESA-N 1 0 286.419 2.971 50 0 CFAARO CCc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[nH]1 ZINC000426716195 281400416 /nfs/dbraw/zinc/40/04/16/281400416.db2.gz VEHHPINKWIFASF-QGZVFWFLSA-N 1 0 299.418 2.918 50 0 CFAARO CC12CN3CC(C)(CN(C1)C31CC(C)(C)[NH2+]C(C)(C)C1)C2 ZINC000019331107 281612224 /nfs/dbraw/zinc/61/22/24/281612224.db2.gz SAIYXXJWDQAUCY-UHFFFAOYSA-N 1 0 291.483 2.671 50 0 CFAARO Cc1nc2c(c(N3CCC[C@@H]([NH+](C)C)CC3)n1)CCCC2 ZINC000242346946 282010161 /nfs/dbraw/zinc/01/01/61/282010161.db2.gz ZKLFDNQIWVCDQK-CQSZACIVSA-N 1 0 288.439 2.584 50 0 CFAARO Cc1nc2ccc(C(=O)N3CCCC[C@@H]([NH3+])C3)cc2s1 ZINC000082116301 282056849 /nfs/dbraw/zinc/05/68/49/282056849.db2.gz KXTSMEHKMCSVEQ-GFCCVEGCSA-N 1 0 289.404 2.558 50 0 CFAARO C[NH+](C)C[C@@H]1CSCC[C@]1(O)c1ccccc1Cl ZINC000000347823 289203479 /nfs/dbraw/zinc/20/34/79/289203479.db2.gz FBNMNJLSOXDEEC-BXUZGUMPSA-N 1 0 285.840 2.842 50 0 CFAARO C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000225468891 290171594 /nfs/dbraw/zinc/17/15/94/290171594.db2.gz IJBQZKABNJKJFI-OFQRWUPVSA-N 1 0 296.455 2.700 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000097159447 293099849 /nfs/dbraw/zinc/09/98/49/293099849.db2.gz OUDYCSPMWSFHTI-INIZCTEOSA-N 1 0 290.386 2.558 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCN(C)C1)CCC2 ZINC000098020458 293439400 /nfs/dbraw/zinc/43/94/00/293439400.db2.gz VYIZHTMXZXSWQP-DGCLKSJQSA-N 1 0 265.426 2.513 50 0 CFAARO FC(F)(F)[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000176885890 294678472 /nfs/dbraw/zinc/67/84/72/294678472.db2.gz OHUDYXSPUDOVIR-LBPRGKRZSA-N 1 0 264.335 2.747 50 0 CFAARO C[C@@H]1C[C@@H]1[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccc(Cl)cc1 ZINC000195550428 297310459 /nfs/dbraw/zinc/31/04/59/297310459.db2.gz AFDADXSWJVPTHS-PCDDKUFXSA-N 1 0 278.783 2.515 50 0 CFAARO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000245316704 297599769 /nfs/dbraw/zinc/59/97/69/297599769.db2.gz KFESMGRJJXQKMO-JVOAXRGISA-N 1 0 283.318 2.562 50 0 CFAARO NC(=O)C[C@@H]([NH2+]Cc1ccsc1)C1CCCCC1 ZINC000096494758 303256937 /nfs/dbraw/zinc/25/69/37/303256937.db2.gz BJYPIFLJDITEOA-CYBMUJFWSA-N 1 0 266.410 2.662 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)c2ccncc2Cl)CCCC1 ZINC000534642989 328329306 /nfs/dbraw/zinc/32/93/06/328329306.db2.gz JNMVIUPHOZNVFX-UHFFFAOYSA-N 1 0 295.814 2.729 50 0 CFAARO C[C@H](NC(=O)N1CC([NH+]2CCCCC2)C1)c1ccccc1 ZINC000534658950 328341918 /nfs/dbraw/zinc/34/19/18/328341918.db2.gz NDWWLXULCMBTKZ-AWEZNQCLSA-N 1 0 287.407 2.627 50 0 CFAARO [NH3+]C[C@@H]1CCN(Cc2cccc(F)c2C(F)(F)F)C1 ZINC000534647883 328343119 /nfs/dbraw/zinc/34/31/19/328343119.db2.gz UAINQDKDOGXPON-VIFPVBQESA-N 1 0 276.277 2.625 50 0 CFAARO CCOC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000534669041 328346301 /nfs/dbraw/zinc/34/63/01/328346301.db2.gz SKGOZTULYLKGPI-AWEZNQCLSA-N 1 0 296.455 2.572 50 0 CFAARO Cc1ncsc1CC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000577528960 324749569 /nfs/dbraw/zinc/74/95/69/324749569.db2.gz LFLRHMXKLRTESH-LLVKDONJSA-N 1 0 286.404 2.993 50 0 CFAARO Cc1ccc(NC(=O)C[NH2+]CCCOC(C)C)cc1C ZINC000006509227 326818872 /nfs/dbraw/zinc/81/88/72/326818872.db2.gz WDXFVZMHUJLSLZ-UHFFFAOYSA-N 1 0 278.396 2.647 50 0 CFAARO c1cc(OCCC[NH+]2CCCCC2)cc2c1OCO2 ZINC000060131671 327018559 /nfs/dbraw/zinc/01/85/59/327018559.db2.gz WOBBBGHNQFVCBY-UHFFFAOYSA-N 1 0 263.337 2.670 50 0 CFAARO CC[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000071909227 327106429 /nfs/dbraw/zinc/10/64/29/327106429.db2.gz AZAUWAXXWRYFKV-ZIAGYGMSSA-N 1 0 251.395 2.547 50 0 CFAARO Cc1cc(-c2c[nH+]ccc2N)ncc1Br ZINC000536954681 330382911 /nfs/dbraw/zinc/38/29/11/330382911.db2.gz SAVQYBBEHLMQLE-UHFFFAOYSA-N 1 0 264.126 2.627 50 0 CFAARO OCCC[N@H+](Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000096455348 534356756 /nfs/dbraw/zinc/35/67/56/534356756.db2.gz PYPHIUMASGUVBX-GOSISDBHSA-N 1 0 282.387 2.954 50 0 CFAARO O[C@H](C[N@H+](Cc1cccnc1)C1CC1)c1ccc(F)cc1 ZINC000096452806 534425733 /nfs/dbraw/zinc/42/57/33/534425733.db2.gz BUMIQLKXDVWKAF-QGZVFWFLSA-N 1 0 286.350 2.919 50 0 CFAARO CC1=C(c2ccco2)C[N@H+](CC[C@H]2CCOC2=O)CC1 ZINC000374531860 520847102 /nfs/dbraw/zinc/84/71/02/520847102.db2.gz SVIBZVKQCPPXLC-ZDUSSCGKSA-N 1 0 275.348 2.712 50 0 CFAARO Clc1ccccc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000110085552 534650267 /nfs/dbraw/zinc/65/02/67/534650267.db2.gz ICYULSOZLUAKJP-UHFFFAOYSA-N 1 0 281.783 2.925 50 0 CFAARO COc1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000019871940 524488147 /nfs/dbraw/zinc/48/81/47/524488147.db2.gz WABJCUDDHYEJIK-HNNXBMFYSA-N 1 0 257.333 2.518 50 0 CFAARO c1cc(CCC[N@@H+]2CCC[C@H]3COCC[C@H]32)ccn1 ZINC000360454383 526419637 /nfs/dbraw/zinc/41/96/37/526419637.db2.gz IXIBEJNPDWFQJU-JKSUJKDBSA-N 1 0 260.381 2.515 50 0 CFAARO CC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC000170602985 526902117 /nfs/dbraw/zinc/90/21/17/526902117.db2.gz FFWLPXVTHTUGHH-WBMJQRKESA-N 1 0 278.371 2.530 50 0 CFAARO Cc1nc2ccccc2cc1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000156433112 527161045 /nfs/dbraw/zinc/16/10/45/527161045.db2.gz PUGJRUAHKRQRAK-IUODEOHRSA-N 1 0 297.402 2.743 50 0 CFAARO O=C(Cc1cccs1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052602 527304534 /nfs/dbraw/zinc/30/45/34/527304534.db2.gz IQXNAHPRETXHKA-UHFFFAOYSA-N 1 0 272.373 2.575 50 0 CFAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1ccc(F)c(OC)c1 ZINC000952966016 615751550 /nfs/dbraw/zinc/75/15/50/615751550.db2.gz GMBMLLBZADJFKY-CYBMUJFWSA-N 1 0 277.343 2.599 50 0 CFAARO C/C=C/c1ccc(OCCOCC[NH+](C)C)c(OC)c1 ZINC000002824790 618019752 /nfs/dbraw/zinc/01/97/52/618019752.db2.gz PVGIYNDARYXLPP-AATRIKPKSA-N 1 0 279.380 2.685 50 0 CFAARO CCc1cccc(OCCOCC[NH+]2CCCC2)c1 ZINC000003000998 618118844 /nfs/dbraw/zinc/11/88/44/618118844.db2.gz MKKOTGBKBRTWKM-UHFFFAOYSA-N 1 0 263.381 2.740 50 0 CFAARO Cc1nc(C(F)(F)F)c(C[N@H+](C)C[C@@H]2CCOC2)s1 ZINC000183603249 618907433 /nfs/dbraw/zinc/90/74/33/618907433.db2.gz JMXNPNPWCIMZPL-VIFPVBQESA-N 1 0 294.342 2.939 50 0 CFAARO [NH3+][C@H]1CC[C@@H]([C@@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)CC1 ZINC000247705964 619057376 /nfs/dbraw/zinc/05/73/76/619057376.db2.gz DOVGFVXOONLUGQ-WCQGTBRESA-N 1 0 288.395 2.621 50 0 CFAARO COCCC1(C[NH2+]C[C@H]2CC(C)=NO2)CCCCC1 ZINC000888095999 619131347 /nfs/dbraw/zinc/13/13/47/619131347.db2.gz OZTNRFRPBUBYQW-CQSZACIVSA-N 1 0 268.401 2.728 50 0 CFAARO Cc1ncsc1C[NH2+][C@@H]1CC[C@@H](c2nccn2C)C1 ZINC000888099152 619132928 /nfs/dbraw/zinc/13/29/28/619132928.db2.gz WOOOKXWIHIFNHG-VXGBXAGGSA-N 1 0 276.409 2.611 50 0 CFAARO O=C(CC[N@H+]1CC[C@](O)(c2ccccc2)C1)c1ccccc1 ZINC000109543920 620120326 /nfs/dbraw/zinc/12/03/26/620120326.db2.gz VQVCZLZHAITTDM-LJQANCHMSA-N 1 0 295.382 2.853 50 0 CFAARO CC(C)CC(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000022146614 620136934 /nfs/dbraw/zinc/13/69/34/620136934.db2.gz YJELMBURABRMLO-UHFFFAOYSA-N 1 0 288.435 2.810 50 0 CFAARO CC(=O)NC1CC[NH+](Cc2cc(C)nc3ccccc23)CC1 ZINC000172416775 623279431 /nfs/dbraw/zinc/27/94/31/623279431.db2.gz NGEGACVXQYHVSG-UHFFFAOYSA-N 1 0 297.402 2.644 50 0 CFAARO Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+]C1CCN(C)CC1 ZINC000089582695 623693318 /nfs/dbraw/zinc/69/33/18/623693318.db2.gz QUVNKBHPWSAEHA-HNNXBMFYSA-N 1 0 274.408 2.811 50 0 CFAARO CC(C)(C)C[NH2+][C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000012191793 626254589 /nfs/dbraw/zinc/25/45/89/626254589.db2.gz WNZFJDAKURZHSD-AWEZNQCLSA-N 1 0 278.371 2.562 50 0 CFAARO CC1(C)C[C@]1(C[NH2+]Cc1cncnc1)c1ccccc1 ZINC000853095785 634902237 /nfs/dbraw/zinc/90/22/37/634902237.db2.gz YAIUWHFWMVZIFN-KRWDZBQOSA-N 1 0 267.376 2.934 50 0 CFAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000157466239 650216928 /nfs/dbraw/zinc/21/69/28/650216928.db2.gz KVUBEARSKZYMQX-NSHDSACASA-N 1 0 252.383 2.612 50 0 CFAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000157466085 650216961 /nfs/dbraw/zinc/21/69/61/650216961.db2.gz KVUBEARSKZYMQX-LLVKDONJSA-N 1 0 252.383 2.612 50 0 CFAARO Cc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)co1 ZINC000188099315 650314864 /nfs/dbraw/zinc/31/48/64/650314864.db2.gz UPRZJTFWUDTIGI-UHFFFAOYSA-N 1 0 276.380 2.725 50 0 CFAARO C[C@@H]([NH2+]CCCNc1ccccc1)c1cc[nH]c(=O)c1 ZINC000863982447 637831941 /nfs/dbraw/zinc/83/19/41/637831941.db2.gz LWVSELVVAQLDAV-CYBMUJFWSA-N 1 0 271.364 2.940 50 0 CFAARO c1ncn(Cc2ccc(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)cc2)n1 ZINC000863983930 637832666 /nfs/dbraw/zinc/83/26/66/637832666.db2.gz NRZGJWCRCNKYDA-QGTPRVQTSA-N 1 0 294.402 2.771 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000863983140 637832876 /nfs/dbraw/zinc/83/28/76/637832876.db2.gz CITIMNDQHKMZOP-CHWSQXEVSA-N 1 0 287.407 2.605 50 0 CFAARO COc1ccc([C@@H](C)C[NH2+]Cc2nc(C(F)F)no2)cc1 ZINC000864087566 637867463 /nfs/dbraw/zinc/86/74/63/637867463.db2.gz VNLPOAXWHUHUMI-VIFPVBQESA-N 1 0 297.305 2.909 50 0 CFAARO C/C(=C/c1ccc(F)cc1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000195542832 650756343 /nfs/dbraw/zinc/75/63/43/650756343.db2.gz POEZURQRBVGRCB-KUGGDMIFSA-N 1 0 276.355 2.569 50 0 CFAARO Cc1c[nH]c(CNC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000952990355 650791561 /nfs/dbraw/zinc/79/15/61/650791561.db2.gz YFZBABFCFKXWSO-UHFFFAOYSA-N 1 0 290.436 2.534 50 0 CFAARO Cc1ncsc1CC[N@@H+](C)C1CSCCSC1 ZINC000952987460 650791903 /nfs/dbraw/zinc/79/19/03/650791903.db2.gz HYKSIAOJOUKTLO-UHFFFAOYSA-N 1 0 288.507 2.774 50 0 CFAARO COc1ccc(/C=C(/C)C[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000097034972 651012063 /nfs/dbraw/zinc/01/20/63/651012063.db2.gz GOAQAOISMGPUOK-DDKJEQMHSA-N 1 0 298.390 2.815 50 0 CFAARO O=C(Nc1ccc(F)cc1)N1CCC[N@@H+](C2CCC2)CC1 ZINC000826588636 647815442 /nfs/dbraw/zinc/81/54/42/647815442.db2.gz VMOOSXCLFXTKMY-UHFFFAOYSA-N 1 0 291.370 2.918 50 0 CFAARO Cc1oncc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000129719447 647873834 /nfs/dbraw/zinc/87/38/34/647873834.db2.gz KXCSCONTAQLHCC-VIFPVBQESA-N 1 0 260.293 2.563 50 0 CFAARO CN(C)c1ccncc1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000187504307 649820246 /nfs/dbraw/zinc/82/02/46/649820246.db2.gz YMEWCYHQSLJZBM-UHFFFAOYSA-N 1 0 299.418 2.665 50 0 CFAARO CCc1nc(C)c(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)o1 ZINC000020202747 651297070 /nfs/dbraw/zinc/29/70/70/651297070.db2.gz DOOJWWHUCSJLRY-KRWDZBQOSA-N 1 0 286.375 2.639 50 0 CFAARO CC[NH+](CC)CCCN(C)Cc1nc2ccccc2[nH]1 ZINC000020997117 651302436 /nfs/dbraw/zinc/30/24/36/651302436.db2.gz QFSQTYMQWWFWEY-UHFFFAOYSA-N 1 0 274.412 2.727 50 0 CFAARO CNc1nc(N[C@H]2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000133941563 770219812 /nfs/dbraw/zinc/21/98/12/770219812.db2.gz NJWUKHWAGJQLKP-AWEZNQCLSA-N 1 0 268.364 2.796 50 0 CFAARO O=C(Nc1ccccn1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023478832 775449332 /nfs/dbraw/zinc/44/93/32/775449332.db2.gz YVWIVISBBGPGAS-SNVBAGLBSA-N 1 0 273.361 2.820 50 0 CFAARO c1cc(C2([NH2+]CCO[C@H]3CCCCO3)CCC2)ccn1 ZINC000585116268 775582658 /nfs/dbraw/zinc/58/26/58/775582658.db2.gz OEPIBJFWXNLZDA-HNNXBMFYSA-N 1 0 276.380 2.594 50 0 CFAARO CC(C)c1noc(C2CC[NH+]([C@@H]3CCSC3)CC2)n1 ZINC000822281426 781896534 /nfs/dbraw/zinc/89/65/34/781896534.db2.gz NRQCHKWOKHZVGA-GFCCVEGCSA-N 1 0 281.425 2.878 50 0 CFAARO CC[C@H](Cc1ccco1)[NH2+]Cc1cccc(CO)c1 ZINC000822620685 781908726 /nfs/dbraw/zinc/90/87/26/781908726.db2.gz XNUUVUJIJBJSTQ-OAHLLOKOSA-N 1 0 259.349 2.883 50 0 CFAARO CCCc1cnc(C)nc1N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000823012030 781916499 /nfs/dbraw/zinc/91/64/99/781916499.db2.gz GALJQCQCYCXIHY-ZIAGYGMSSA-N 1 0 262.401 2.632 50 0 CFAARO c1cn(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)cn1 ZINC000096443340 230373836 /nfs/dbraw/zinc/37/38/36/230373836.db2.gz PFKRPBOTZMOMNI-UHFFFAOYSA-N 1 0 297.402 2.698 50 0 CFAARO OCCC[C@@H]1CCC[N@@H+]1Cc1nc2ccc(F)cc2o1 ZINC000096466210 230378544 /nfs/dbraw/zinc/37/85/44/230378544.db2.gz DYMBXEMAEFXAOJ-LBPRGKRZSA-N 1 0 278.327 2.704 50 0 CFAARO C[C@@H](C[NH2+][C@@H](C)c1cccs1)N1CCOC[C@@H]1C ZINC000096477516 230379742 /nfs/dbraw/zinc/37/97/42/230379742.db2.gz XYDYLJZWLYICQG-AVGNSLFASA-N 1 0 268.426 2.508 50 0 CFAARO Cc1ncccc1C[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000096494213 230383502 /nfs/dbraw/zinc/38/35/02/230383502.db2.gz SSQAWBSXAJRFDP-OAHLLOKOSA-N 1 0 276.380 2.555 50 0 CFAARO Cc1ncccc1C[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000096494214 230383544 /nfs/dbraw/zinc/38/35/44/230383544.db2.gz SSQAWBSXAJRFDP-HNNXBMFYSA-N 1 0 276.380 2.555 50 0 CFAARO c1ccc(CN2CCC([NH+]3CCSCC3)CC2)cc1 ZINC000000757645 230366600 /nfs/dbraw/zinc/36/66/00/230366600.db2.gz YHCPVRDCRGOBDE-UHFFFAOYSA-N 1 0 276.449 2.700 50 0 CFAARO COC(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)OC ZINC000408525526 230406254 /nfs/dbraw/zinc/40/62/54/230406254.db2.gz REZJNPOXCNMXPN-UHFFFAOYSA-N 1 0 291.391 2.590 50 0 CFAARO CC1(CC[NH2+][C@@H]2CCc3ccc(F)cc32)OCCO1 ZINC000095939944 185035110 /nfs/dbraw/zinc/03/51/10/185035110.db2.gz PUPXVWHIOOGDQR-CQSZACIVSA-N 1 0 265.328 2.556 50 0 CFAARO C[NH+](C)CCNc1nc(C(F)(F)F)nc2ccsc21 ZINC000095948982 185039239 /nfs/dbraw/zinc/03/92/39/185039239.db2.gz KHMDSHRQDKINMW-UHFFFAOYSA-N 1 0 290.314 2.684 50 0 CFAARO CCOC(C[N@H+](C)Cc1ccc(C)cc1)OCC ZINC000095950844 185039354 /nfs/dbraw/zinc/03/93/54/185039354.db2.gz TXVCGOSBLDYJTO-UHFFFAOYSA-N 1 0 251.370 2.826 50 0 CFAARO COc1ccccc1C1(C[NH2+][C@H]2CCSC2)CC1 ZINC000095967573 185046290 /nfs/dbraw/zinc/04/62/90/185046290.db2.gz ZEFVBZXCGPNTSW-LBPRGKRZSA-N 1 0 263.406 2.822 50 0 CFAARO CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000095968897 185047381 /nfs/dbraw/zinc/04/73/81/185047381.db2.gz OMHKUXCJDIJRMU-DOMZBBRYSA-N 1 0 281.421 2.604 50 0 CFAARO C[C@H](Cc1ccsc1)[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000095969143 185047856 /nfs/dbraw/zinc/04/78/56/185047856.db2.gz MVBMFASRWLHWOD-XFBWCDHKSA-N 1 0 273.401 2.927 50 0 CFAARO CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)c1ccc(OC)cc1 ZINC000095970969 185048305 /nfs/dbraw/zinc/04/83/05/185048305.db2.gz VJLCCFFALSUKQE-QGZVFWFLSA-N 1 0 298.386 2.966 50 0 CFAARO CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)c1ccc(OC)cc1 ZINC000095970968 185048837 /nfs/dbraw/zinc/04/88/37/185048837.db2.gz VJLCCFFALSUKQE-KRWDZBQOSA-N 1 0 298.386 2.966 50 0 CFAARO Cc1ccc(CN(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)s1 ZINC000095971112 185048990 /nfs/dbraw/zinc/04/89/90/185048990.db2.gz NOFJWMKVPFDMQY-HNNXBMFYSA-N 1 0 288.416 2.585 50 0 CFAARO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]Cc1cccn1C ZINC000095978192 185052294 /nfs/dbraw/zinc/05/22/94/185052294.db2.gz ZIOWPWLIRYYBSP-LRDDRELGSA-N 1 0 276.355 2.766 50 0 CFAARO Cc1cc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)ccc1O ZINC000095979206 185053138 /nfs/dbraw/zinc/05/31/38/185053138.db2.gz UDHINFXEVWTDMG-FRRDWIJNSA-N 1 0 276.380 2.900 50 0 CFAARO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000095981720 185053846 /nfs/dbraw/zinc/05/38/46/185053846.db2.gz WPCIPBUKEPRQOK-YCPHGPKFSA-N 1 0 270.380 2.922 50 0 CFAARO Cc1cnccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000095981987 185054047 /nfs/dbraw/zinc/05/40/47/185054047.db2.gz CQBLWICPMUTSHA-UHFFFAOYSA-N 1 0 298.390 2.773 50 0 CFAARO CCOC(=O)N(C)C1CC[NH+](Cc2ccsc2)CC1 ZINC000095982884 185054106 /nfs/dbraw/zinc/05/41/06/185054106.db2.gz OTTJZJAEGABDES-UHFFFAOYSA-N 1 0 282.409 2.801 50 0 CFAARO Cn1ccc(C[NH2+]Cc2c(C3CC3)nc3sccn23)c1 ZINC000095984294 185055289 /nfs/dbraw/zinc/05/52/89/185055289.db2.gz MEKMIDKXBCJRDE-UHFFFAOYSA-N 1 0 286.404 2.902 50 0 CFAARO CC[C@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000095985994 185055870 /nfs/dbraw/zinc/05/58/70/185055870.db2.gz MNMZQQZXIXCAMP-CJNGLKHVSA-N 1 0 262.397 2.708 50 0 CFAARO C[C@H](C1CCC1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000095987446 185056046 /nfs/dbraw/zinc/05/60/46/185056046.db2.gz QEYXMLMKQBSMFB-GFCCVEGCSA-N 1 0 285.391 2.554 50 0 CFAARO CC(=O)Nc1cccc(CC[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000095992882 185059497 /nfs/dbraw/zinc/05/94/97/185059497.db2.gz ZGURFUVZRUHDAO-CHWSQXEVSA-N 1 0 260.381 2.775 50 0 CFAARO CC[C@@H]1CCC[C@@H](C[N@H+](CCOC)C(C)(C)CO)C1 ZINC000096011458 185066036 /nfs/dbraw/zinc/06/60/36/185066036.db2.gz GKYYFEWCDDACEK-HUUCEWRRSA-N 1 0 271.445 2.922 50 0 CFAARO CC[N@H+](C)[C@H](C)C(=O)NCC1(CC(C)C)CCC1 ZINC000823061387 781919695 /nfs/dbraw/zinc/91/96/95/781919695.db2.gz ZYMBBQFYHLHJIB-CYBMUJFWSA-N 1 0 254.418 2.659 50 0 CFAARO OC[C@H]1CCCC[C@H]1[NH2+]CCOC1CCCCCC1 ZINC000125363439 187181387 /nfs/dbraw/zinc/18/13/87/187181387.db2.gz QHRWAIAEEHRRBY-GDBMZVCRSA-N 1 0 269.429 2.867 50 0 CFAARO Cc1c(C[NH2+][C@H](C)[C@@H](C)Oc2ccccc2F)cnn1C ZINC000097021688 185154290 /nfs/dbraw/zinc/15/42/90/185154290.db2.gz UCHVMQJJVVYOMW-DGCLKSJQSA-N 1 0 291.370 2.813 50 0 CFAARO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000096478779 529520295 /nfs/dbraw/zinc/52/02/95/529520295.db2.gz LFCLLVRYLDRGOZ-ZFWWWQNUSA-N 1 0 273.380 2.948 50 0 CFAARO COc1cccc(CCC[N@@H+]2CCC[C@H](CCO)C2)c1 ZINC000072296416 346925410 /nfs/dbraw/zinc/92/54/10/346925410.db2.gz IEHJJRRADWIXGJ-MRXNPFEDSA-N 1 0 277.408 2.722 50 0 CFAARO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1scnc1C ZINC000072298406 346925707 /nfs/dbraw/zinc/92/57/07/346925707.db2.gz NWYGVJLUOARKGW-LBPRGKRZSA-N 1 0 276.409 2.835 50 0 CFAARO COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)c1 ZINC000128053253 187348631 /nfs/dbraw/zinc/34/86/31/187348631.db2.gz DJTALOJVMYTTGH-DYEKYZERSA-N 1 0 279.380 2.922 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2CCc2ccccn2)no1 ZINC000074085484 346995355 /nfs/dbraw/zinc/99/53/55/346995355.db2.gz CUTYCVPDGOKIST-HNNXBMFYSA-N 1 0 257.337 2.758 50 0 CFAARO Cc1nnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)s1 ZINC000096496711 282318980 /nfs/dbraw/zinc/31/89/80/282318980.db2.gz CENVOLOKDBVQLR-JSGCOSHPSA-N 1 0 294.468 2.937 50 0 CFAARO CC[N@H+](CCO)Cc1cc2cc(F)ccc2s1 ZINC000075259811 347061962 /nfs/dbraw/zinc/06/19/62/347061962.db2.gz NECXAXPXOSTBOF-UHFFFAOYSA-N 1 0 253.342 2.855 50 0 CFAARO CN(Cc1cnc(-c2ccccc2)s1)[C@@H]1CC[N@H+](C)C1 ZINC000222883853 530015584 /nfs/dbraw/zinc/01/55/84/530015584.db2.gz HMWWZBHSSBOAOX-CQSZACIVSA-N 1 0 287.432 2.946 50 0 CFAARO C[C@H](O)[C@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095368 185529545 /nfs/dbraw/zinc/52/95/45/185529545.db2.gz PPWORVYBTCTFMN-STQMWFEESA-N 1 0 258.365 2.761 50 0 CFAARO Cc1nn(C)c(C)c1CCCNc1cccc(C)[nH+]1 ZINC000097163414 185553207 /nfs/dbraw/zinc/55/32/07/185553207.db2.gz OFVGDAUHWRAJLI-UHFFFAOYSA-N 1 0 258.369 2.785 50 0 CFAARO CCCCCNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC000075593556 347086856 /nfs/dbraw/zinc/08/68/56/347086856.db2.gz FSSFPLLFZFUBLR-MRXNPFEDSA-N 1 0 262.397 2.770 50 0 CFAARO C[C@H](c1ccccc1Cl)N(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000299740454 539512329 /nfs/dbraw/zinc/51/23/29/539512329.db2.gz ZZCCDGAYMGUORZ-YGRLFVJLSA-N 1 0 284.762 2.561 50 0 CFAARO C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H](C)O ZINC000000757507 346205751 /nfs/dbraw/zinc/20/57/51/346205751.db2.gz CWKXWTATDWYAMJ-IYBDPMFKSA-N 1 0 299.414 2.917 50 0 CFAARO Clc1ccccc1OCCOCC[NH+]1CCCC1 ZINC000002894409 346207157 /nfs/dbraw/zinc/20/71/57/346207157.db2.gz MZBIYLBEROZQSO-UHFFFAOYSA-N 1 0 269.772 2.831 50 0 CFAARO CC[NH+](CC)CCOC(=O)COc1ccc(Cl)cc1 ZINC000002038014 346207242 /nfs/dbraw/zinc/20/72/42/346207242.db2.gz PUGZUYUBEFEQKB-UHFFFAOYSA-N 1 0 285.771 2.604 50 0 CFAARO COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000097610154 185638259 /nfs/dbraw/zinc/63/82/59/185638259.db2.gz IFXXJZFCZIDUOC-JTQLQIEISA-N 1 0 297.786 2.531 50 0 CFAARO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085305529 179011941 /nfs/dbraw/zinc/01/19/41/179011941.db2.gz SLWATFJHLABMAO-XWCIJXRUSA-N 1 0 253.411 2.948 50 0 CFAARO C[C@H](Cc1ccccc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023279943 346251956 /nfs/dbraw/zinc/25/19/56/346251956.db2.gz RWXSTOGCNVPKTD-UPJWGTAASA-N 1 0 251.345 2.866 50 0 CFAARO C[C@H](Cc1ccccc1F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023279940 346252065 /nfs/dbraw/zinc/25/20/65/346252065.db2.gz RWXSTOGCNVPKTD-JHJVBQTASA-N 1 0 251.345 2.866 50 0 CFAARO C[C@@H](Cc1ccccc1F)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023279934 346252300 /nfs/dbraw/zinc/25/23/00/346252300.db2.gz RWXSTOGCNVPKTD-YNEHKIRRSA-N 1 0 251.345 2.866 50 0 CFAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000085334117 179022403 /nfs/dbraw/zinc/02/24/03/179022403.db2.gz VQIJJKBMLXCPQA-ZWKOTPCHSA-N 1 0 278.355 2.916 50 0 CFAARO Cc1nc(CSc2ccncc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097785414 185668033 /nfs/dbraw/zinc/66/80/33/185668033.db2.gz NGJOTIYTRLYZSP-UHFFFAOYSA-N 1 0 297.387 2.966 50 0 CFAARO FC(F)(F)c1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC000036314405 346323080 /nfs/dbraw/zinc/32/30/80/346323080.db2.gz VTECVRVQVHCGEJ-LBPRGKRZSA-N 1 0 259.271 2.974 50 0 CFAARO Cc1cccc(OCCCCC(=O)NCCC[NH+](C)C)c1 ZINC000057381234 346625619 /nfs/dbraw/zinc/62/56/19/346625619.db2.gz XGPOFVFYVNCXAS-UHFFFAOYSA-N 1 0 292.423 2.612 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000065474701 346735214 /nfs/dbraw/zinc/73/52/14/346735214.db2.gz ARLKQTFIRRHPCF-UHFFFAOYSA-N 1 0 295.390 2.561 50 0 CFAARO CC(C)(C)C[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000066992214 346787712 /nfs/dbraw/zinc/78/77/12/346787712.db2.gz SMUOSACGQQQLIB-UHFFFAOYSA-N 1 0 298.496 2.756 50 0 CFAARO c1cnc(NCC[NH2+]Cc2ccc3ccccc3c2)nc1 ZINC000067255995 346796341 /nfs/dbraw/zinc/79/63/41/346796341.db2.gz NHUVFWFOILZMDR-UHFFFAOYSA-N 1 0 278.359 2.832 50 0 CFAARO CCS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)NC(C)(C)C)C1 ZINC000076071444 347117711 /nfs/dbraw/zinc/11/77/11/347117711.db2.gz MNXXRKRFBYKUSJ-OLZOCXBDSA-N 1 0 286.485 2.897 50 0 CFAARO C[N@H+](Cc1ccno1)C1CCN(c2ccc(F)cc2)CC1 ZINC000076091374 347119122 /nfs/dbraw/zinc/11/91/22/347119122.db2.gz WUOHWHWNQZYRIA-UHFFFAOYSA-N 1 0 289.354 2.915 50 0 CFAARO CC[C@H]1[C@@H](c2ccc(C)cc2)CC[N@@H+]1CCS(C)(=O)=O ZINC000076109599 347120484 /nfs/dbraw/zinc/12/04/84/347120484.db2.gz IWYKNTXKYRUWQT-CVEARBPZSA-N 1 0 295.448 2.608 50 0 CFAARO C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccccc1F ZINC000078898067 347278723 /nfs/dbraw/zinc/27/87/23/347278723.db2.gz LFZHONMTKYDHNR-BLLLJJGKSA-N 1 0 290.382 2.562 50 0 CFAARO c1ccc([C@H]2OCC[C@H]2[NH2+]Cc2ccccn2)cc1 ZINC000078988876 347283761 /nfs/dbraw/zinc/28/37/61/347283761.db2.gz QQECAZHKOLFYEN-HZPDHXFCSA-N 1 0 254.333 2.701 50 0 CFAARO C[N@H+](Cc1ccc2c(c1)CCC2)C1CCS(=O)CC1 ZINC000079463402 347305826 /nfs/dbraw/zinc/30/58/26/347305826.db2.gz LTUSTRIXNNOXGB-UHFFFAOYSA-N 1 0 277.433 2.518 50 0 CFAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000089937621 347532769 /nfs/dbraw/zinc/53/27/69/347532769.db2.gz FETYDQSHNXRJNQ-LRDDRELGSA-N 1 0 285.391 2.514 50 0 CFAARO c1cc(CC[N@@H+]2CCCSCC2)cc2c1OCC2 ZINC000089982572 347533733 /nfs/dbraw/zinc/53/37/33/347533733.db2.gz VWSSISLHVWZOKL-UHFFFAOYSA-N 1 0 263.406 2.603 50 0 CFAARO C[NH+](C)Cc1ccc(NC(=O)C2=CCCCO2)cc1F ZINC000086237402 179255096 /nfs/dbraw/zinc/25/50/96/179255096.db2.gz LENKDLMVZFSAEV-UHFFFAOYSA-N 1 0 278.327 2.520 50 0 CFAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc[nH]c1 ZINC000086255206 179256765 /nfs/dbraw/zinc/25/67/65/179256765.db2.gz QHIMJXBACVRNJN-UONOGXRCSA-N 1 0 293.411 2.798 50 0 CFAARO CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000092763779 347646195 /nfs/dbraw/zinc/64/61/95/347646195.db2.gz CUWLNONUVRPIQQ-GFCCVEGCSA-N 1 0 259.349 2.809 50 0 CFAARO COc1ccccc1OCC[N@H+](C)C1CCSCC1 ZINC000092904097 347650212 /nfs/dbraw/zinc/65/02/12/347650212.db2.gz IZCRKWGEOHAERN-UHFFFAOYSA-N 1 0 281.421 2.901 50 0 CFAARO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000093613461 347680350 /nfs/dbraw/zinc/68/03/50/347680350.db2.gz VMPAYBWKKNSWLH-LSDHHAIUSA-N 1 0 295.448 2.808 50 0 CFAARO O=C(NC1CC1)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095434025 347698181 /nfs/dbraw/zinc/69/81/81/347698181.db2.gz ZHQPKEDKFNJVMT-LZWOXQAQSA-N 1 0 276.424 2.770 50 0 CFAARO CC(C)C(=O)O[C@]1(c2ccccc2)CC[N@H+](C)[C@@H]1C ZINC000095882819 347699121 /nfs/dbraw/zinc/69/91/21/347699121.db2.gz PNEKCZNQOVAYFM-CZUORRHYSA-N 1 0 261.365 2.805 50 0 CFAARO O[C@@H](C[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000097200608 347706716 /nfs/dbraw/zinc/70/67/16/347706716.db2.gz JNOIPYNYOJXYSP-WBVHZDCISA-N 1 0 297.402 2.549 50 0 CFAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1(O)CCSCC1 ZINC000097095405 347707045 /nfs/dbraw/zinc/70/70/45/347707045.db2.gz REBWJYCAZUQISX-ZDUSSCGKSA-N 1 0 295.448 2.561 50 0 CFAARO C[C@@H]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccn2)[C@H](C)C1 ZINC000097373172 347708496 /nfs/dbraw/zinc/70/84/96/347708496.db2.gz FELXRADSYQCAJC-ANQUJSFKSA-N 1 0 276.424 2.647 50 0 CFAARO FC(F)COc1ncccc1C[NH2+][C@@H]1CCCSC1 ZINC000097370941 347708583 /nfs/dbraw/zinc/70/85/83/347708583.db2.gz DWODTGVIVGEYLF-LLVKDONJSA-N 1 0 288.363 2.711 50 0 CFAARO C[C@H]([NH2+]Cc1csc([C@@H]2CCCO2)n1)[C@H]1CCCO1 ZINC000097374180 347709102 /nfs/dbraw/zinc/70/91/02/347709102.db2.gz XEEVDPXQXAJULD-UHTWSYAYSA-N 1 0 282.409 2.652 50 0 CFAARO C[N@H+](C[C@@H]1CCCCO1)[C@H](CCO)c1ccccc1 ZINC000110641515 347749075 /nfs/dbraw/zinc/74/90/75/347749075.db2.gz GFANMBXRTJCASX-JKSUJKDBSA-N 1 0 263.381 2.611 50 0 CFAARO CNC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[C@H]2SC)cc1 ZINC000110642587 347749489 /nfs/dbraw/zinc/74/94/89/347749489.db2.gz IZCUKMUINVPBRC-LSDHHAIUSA-N 1 0 292.448 2.762 50 0 CFAARO CCCCNC(=O)NC[C@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000725255228 539588045 /nfs/dbraw/zinc/58/80/45/539588045.db2.gz WVVHYQDVTBQJFE-DOMZBBRYSA-N 1 0 269.433 2.629 50 0 CFAARO CC(=O)NC1CCC([NH2+]C[C@H](C)c2cccs2)CC1 ZINC000133016810 347888861 /nfs/dbraw/zinc/88/88/61/347888861.db2.gz BEMGBTMMXCJVKY-XGNXJENSSA-N 1 0 280.437 2.889 50 0 CFAARO 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COC(C)(C)C[C@@H](C)[NH2+]Cc1cnc(C)c(C)c1 ZINC000584894435 348730153 /nfs/dbraw/zinc/73/01/53/348730153.db2.gz VLQCSRJPEFKHKH-GFCCVEGCSA-N 1 0 250.386 2.992 50 0 CFAARO CCCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)[nH]1 ZINC000584893803 348730252 /nfs/dbraw/zinc/73/02/52/348730252.db2.gz AFTGEEVEJJAEJT-FICVDOATSA-N 1 0 277.412 2.894 50 0 CFAARO Cc1nccn1CC[NH2+]C1CCN(c2ccc(C)cc2)CC1 ZINC000584899138 348732110 /nfs/dbraw/zinc/73/21/10/348732110.db2.gz KOGRDPXAJUNEKF-UHFFFAOYSA-N 1 0 298.434 2.759 50 0 CFAARO C[C@@H](CN1CCCCCC1)[NH2+]CCc1nccs1 ZINC000584903566 348733615 /nfs/dbraw/zinc/73/36/15/348733615.db2.gz MGJNPTOELALGAQ-ZDUSSCGKSA-N 1 0 267.442 2.540 50 0 CFAARO C[NH+]1CCC(N(C(=O)C2CC2)c2cccc(F)c2)CC1 ZINC000078996597 539692221 /nfs/dbraw/zinc/69/22/21/539692221.db2.gz RIISQCFPLXCWAS-UHFFFAOYSA-N 1 0 276.355 2.663 50 0 CFAARO C[C@H]([NH2+]CCOc1ccccc1Cl)c1cnccn1 ZINC000090772554 180037540 /nfs/dbraw/zinc/03/75/40/180037540.db2.gz XJAAIGYSOQIFCF-NSHDSACASA-N 1 0 277.755 2.860 50 0 CFAARO C[C@H](C[NH2+][C@H]1CCO[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911692 180063348 /nfs/dbraw/zinc/06/33/48/180063348.db2.gz DZBPNPOHHXTWNR-BZPMIXESSA-N 1 0 287.363 2.607 50 0 CFAARO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CCSC1 ZINC000091366862 180143368 /nfs/dbraw/zinc/14/33/68/180143368.db2.gz KYNYMFUVAJHYMY-RISCZKNCSA-N 1 0 285.840 2.729 50 0 CFAARO CSCCC(=O)N[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1C1CC1 ZINC000091364667 180142487 /nfs/dbraw/zinc/14/24/87/180142487.db2.gz HBNJBYRCRSUULK-CABCVRRESA-N 1 0 296.480 2.509 50 0 CFAARO c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 ZINC000091289263 180122094 /nfs/dbraw/zinc/12/20/94/180122094.db2.gz UZGKUUSGTICBII-IAGOWNOFSA-N 1 0 294.402 2.577 50 0 CFAARO Fc1ccc([C@@H](CNc2ccncn2)[NH+]2CCCC2)cc1 ZINC000091452191 180158595 /nfs/dbraw/zinc/15/85/95/180158595.db2.gz JYOQDVNLHMRFIC-OAHLLOKOSA-N 1 0 286.354 2.865 50 0 CFAARO CC[N@H+](C)Cc1cccc(CNc2nnc(C)s2)c1 ZINC000091457153 180160080 /nfs/dbraw/zinc/16/00/80/180160080.db2.gz 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/nfs/dbraw/zinc/22/26/13/180222613.db2.gz LOPIGOYPJRIOKD-INIZCTEOSA-N 1 0 282.387 2.639 50 0 CFAARO COCC[C@@]1(CO)CCC[N@H+](C/C(C)=C/c2ccco2)C1 ZINC000091694523 180228596 /nfs/dbraw/zinc/22/85/96/180228596.db2.gz SZVUSFJAWLBUAG-JMPLCFMRSA-N 1 0 293.407 2.794 50 0 CFAARO COCC[C@]1(CO)CCC[N@H+](C/C(C)=C/c2ccco2)C1 ZINC000091694525 180228603 /nfs/dbraw/zinc/22/86/03/180228603.db2.gz SZVUSFJAWLBUAG-GSPCDJLXSA-N 1 0 293.407 2.794 50 0 CFAARO C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2 ZINC000091770597 180249489 /nfs/dbraw/zinc/24/94/89/180249489.db2.gz ZTBZOZNWRJPJMM-QGZVFWFLSA-N 1 0 298.430 2.877 50 0 CFAARO O=C(C1CC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091736875 180243734 /nfs/dbraw/zinc/24/37/34/180243734.db2.gz PLDDBRSGXQFOOQ-NVXWUHKLSA-N 1 0 284.403 2.519 50 0 CFAARO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1 ZINC000091808882 180260925 /nfs/dbraw/zinc/26/09/25/180260925.db2.gz IKIXHTWURDUWEW-ZWKOTPCHSA-N 1 0 298.430 2.828 50 0 CFAARO CCCc1nc(C)c(CNc2cc(C)[nH+]c(N)n2)s1 ZINC000091819417 180262799 /nfs/dbraw/zinc/26/27/99/180262799.db2.gz OLHQKHWKBJFUDR-UHFFFAOYSA-N 1 0 277.397 2.697 50 0 CFAARO Cc1cc(NCc2ccc(F)cc2Cl)nc(N)[nH+]1 ZINC000091943308 180290280 /nfs/dbraw/zinc/29/02/80/180290280.db2.gz DXSINRRGTSPNDP-UHFFFAOYSA-N 1 0 266.707 2.772 50 0 CFAARO Cc1nc(NCC2(COc3ccccc3)CC2)cc(N)[nH+]1 ZINC000092001644 180303838 /nfs/dbraw/zinc/30/38/38/180303838.db2.gz HDVWRVRKQNETGO-UHFFFAOYSA-N 1 0 284.363 2.638 50 0 CFAARO CC(=O)N1CC[C@H](C[N@@H+](C)C/C(C)=C/c2ccccc2)C1 ZINC000092101142 180326004 /nfs/dbraw/zinc/32/60/04/180326004.db2.gz QEHOGCUKJFBNBI-HAZIXKIPSA-N 1 0 286.419 2.890 50 0 CFAARO Cc1nnc(NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)o1 ZINC000092106971 180326897 /nfs/dbraw/zinc/32/68/97/180326897.db2.gz IRLTYNLBEDQAIC-HNNXBMFYSA-N 1 0 286.379 2.670 50 0 CFAARO Fc1ccccc1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805935 186072872 /nfs/dbraw/zinc/07/28/72/186072872.db2.gz BCTAZUNLDOVASF-UHFFFAOYSA-N 1 0 286.354 2.692 50 0 CFAARO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000106856046 186141975 /nfs/dbraw/zinc/14/19/75/186141975.db2.gz QMGQKLUDQDASHZ-HZPDHXFCSA-N 1 0 281.371 2.750 50 0 CFAARO OCCC[N@H+](C[C@H]1CCOC1)[C@H]1CCCc2ccccc21 ZINC000108096540 186204266 /nfs/dbraw/zinc/20/42/66/186204266.db2.gz DUTBPJDIUZHNRQ-QAPCUYQASA-N 1 0 289.419 2.785 50 0 CFAARO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000110702835 186315167 /nfs/dbraw/zinc/31/51/67/186315167.db2.gz UPRGKQRNXGHMTE-YUELXQCFSA-N 1 0 281.421 2.825 50 0 CFAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1sccc1Cl ZINC000613666914 351995043 /nfs/dbraw/zinc/99/50/43/351995043.db2.gz WOIRNQXFQASWOR-NXEZZACHSA-N 1 0 272.801 2.614 50 0 CFAARO C/C(=C/C(=O)N1CC[C@H]([NH3+])C1)c1cccc(C(F)(F)F)c1 ZINC000132506696 187632405 /nfs/dbraw/zinc/63/24/05/187632405.db2.gz RWGJCIALKQDIJZ-SZNGSJQDSA-N 1 0 298.308 2.668 50 0 CFAARO O=C(NC1CC1)[C@@H]1CCCN1c1cc[nH+]c2cc(F)ccc21 ZINC000134895561 187778947 /nfs/dbraw/zinc/77/89/47/187778947.db2.gz 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ZINC000823652554 781934647 /nfs/dbraw/zinc/93/46/47/781934647.db2.gz DHECCCUYXRRLLJ-ZDUSSCGKSA-N 1 0 276.409 2.870 50 0 CFAARO C[N@H+](CCc1cnccn1)Cc1ccc(Cl)c(F)c1 ZINC000273714307 192275150 /nfs/dbraw/zinc/27/51/50/192275150.db2.gz GYEMMGJTOLWTHE-UHFFFAOYSA-N 1 0 279.746 2.944 50 0 CFAARO NC(=[NH2+])Sc1ncc(C(F)(F)F)cc1Cl ZINC000005567159 283262395 /nfs/dbraw/zinc/26/23/95/283262395.db2.gz AVZYNSHUYBARSH-UHFFFAOYSA-N 1 0 255.652 2.739 50 0 CFAARO Cc1cccc([C@@H](O)C[NH2+][C@H](C)CC2CCOCC2)c1 ZINC000090519727 540364474 /nfs/dbraw/zinc/36/44/74/540364474.db2.gz RNOUXGPFYUBUCH-PBHICJAKSA-N 1 0 277.408 2.823 50 0 CFAARO NC(=O)[C@H]([NH2+]CC1(c2ccccc2)CC1)c1ccccc1 ZINC000026225972 283343531 /nfs/dbraw/zinc/34/35/31/283343531.db2.gz KCAZYEJEAJXWQX-MRXNPFEDSA-N 1 0 280.371 2.534 50 0 CFAARO c1nnc(C[NH2+][C@@H]2CCCSCC2)n1-c1ccccc1 ZINC000585093614 540461748 /nfs/dbraw/zinc/46/17/48/540461748.db2.gz NNSKYMOEIGOULC-CYBMUJFWSA-N 1 0 288.420 2.643 50 0 CFAARO C[NH2+]CCCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000237146390 283509423 /nfs/dbraw/zinc/50/94/23/283509423.db2.gz NQAIEWPECYTLGM-HUUCEWRRSA-N 1 0 274.408 2.699 50 0 CFAARO CCc1nc2n(n1)CCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000095423688 540724019 /nfs/dbraw/zinc/72/40/19/540724019.db2.gz XOMALODVLSQBKW-ZDUSSCGKSA-N 1 0 262.401 2.988 50 0 CFAARO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)CCC2 ZINC000095422912 540724394 /nfs/dbraw/zinc/72/43/94/540724394.db2.gz YUVGCNFXSMGTCW-MBNYWOFBSA-N 1 0 280.437 2.970 50 0 CFAARO O=C(Nc1ccc(F)cc1)N1CCC[N@@H+](C2CC2)CC1 ZINC000089788403 540719867 /nfs/dbraw/zinc/71/98/67/540719867.db2.gz MMGZVJIYNHDAMW-UHFFFAOYSA-N 1 0 277.343 2.528 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000178523158 189123725 /nfs/dbraw/zinc/12/37/25/189123725.db2.gz DSWGUPWWRPEHQM-CQSZACIVSA-N 1 0 296.370 2.900 50 0 CFAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 ZINC000178517439 189123103 /nfs/dbraw/zinc/12/31/03/189123103.db2.gz BIHFZDNYJUHLIM-SSDOTTSWSA-N 1 0 291.153 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C[NH2+]C[C@H](C)C(=O)N[C@@H](c1cccc(OC)c1)C(C)(C)C ZINC000195543649 189678384 /nfs/dbraw/zinc/67/83/84/189678384.db2.gz UXUGYHUBNJUTLZ-WFASDCNBSA-N 1 0 292.423 2.754 50 0 CFAARO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2c(s1)CCC2 ZINC000098005584 283928879 /nfs/dbraw/zinc/92/88/79/283928879.db2.gz ONJAJVXZJJMAKN-UHFFFAOYSA-N 1 0 290.432 2.593 50 0 CFAARO C[NH+](C)CCCCNC(=O)Nc1ccccc1Cl ZINC000225519844 189755662 /nfs/dbraw/zinc/75/56/62/189755662.db2.gz ZPCCFOMBJLDYRB-UHFFFAOYSA-N 1 0 269.776 2.803 50 0 CFAARO Cc1ccc(NC(=O)N(C)C2CC[NH+](C)CC2)cc1 ZINC000018174952 541850290 /nfs/dbraw/zinc/85/02/90/541850290.db2.gz OOORQRXIUQIGCQ-UHFFFAOYSA-N 1 0 261.369 2.553 50 0 CFAARO CCc1ccc([C@@H](NC(=O)[C@H]2CC[NH2+]C2)C(C)(C)C)o1 ZINC000236966953 189856354 /nfs/dbraw/zinc/85/63/54/189856354.db2.gz UFCZMMMYGPFJIT-SMDDNHRTSA-N 1 0 278.396 2.655 50 0 CFAARO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1OC ZINC000000200585 371556271 /nfs/dbraw/zinc/55/62/71/371556271.db2.gz JHKSCNYRZDUCHF-UHFFFAOYSA-N 1 0 286.375 2.773 50 0 CFAARO O[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000000199260 371556611 /nfs/dbraw/zinc/55/66/11/371556611.db2.gz HVRYXSKVRXPHNJ-LLVKDONJSA-N 1 0 259.271 2.662 50 0 CFAARO CN1CCC([N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000000207667 371557736 /nfs/dbraw/zinc/55/77/36/371557736.db2.gz MEFZKIBLFKKDEY-UHFFFAOYSA-N 1 0 297.240 2.975 50 0 CFAARO CCOC(=O)c1c2cc(O)ccc2oc1C[NH+]1CCCC1 ZINC000000108873 371532690 /nfs/dbraw/zinc/53/26/90/371532690.db2.gz INFUCWWOIYONNF-UHFFFAOYSA-N 1 0 289.331 2.911 50 0 CFAARO COc1ccc(C[NH2+]Cc2ccccc2OC)cc1 ZINC000000172203 371548626 /nfs/dbraw/zinc/54/86/26/371548626.db2.gz ILIQUOYLOUMAEN-UHFFFAOYSA-N 1 0 257.333 2.994 50 0 CFAARO Cc1c[nH]c2cccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c12 ZINC000000185560 371552720 /nfs/dbraw/zinc/55/27/20/371552720.db2.gz XAIVBZMKIMCTMO-LBPRGKRZSA-N 1 0 276.380 2.604 50 0 CFAARO [NH3+][C@H](c1ccccc1)P(=O)([O-])[C@H]([NH3+])c1ccccc1 ZINC000000186736 371553134 /nfs/dbraw/zinc/55/31/34/371553134.db2.gz GDRKYOFXBSKACL-KBPBESRZSA-N 1 0 276.276 2.572 50 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CCOC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000000292303 371580080 /nfs/dbraw/zinc/58/00/80/371580080.db2.gz XUIWOGRVUHIEST-UHFFFAOYSA-N 1 0 261.365 2.770 50 0 CFAARO O=C(CC[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000000296967 371581942 /nfs/dbraw/zinc/58/19/42/371581942.db2.gz YWZSWWAPRIIPNW-UHFFFAOYSA-N 1 0 275.348 2.517 50 0 CFAARO COc1ccc(/C=C/c2cc[n+](C)cc2)cc1OC ZINC000000368172 371596944 /nfs/dbraw/zinc/59/69/44/371596944.db2.gz MIWZONGVVDITPC-SNAWJCMRSA-N 1 0 256.325 2.699 50 0 CFAARO CCC[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1 ZINC000000757721 371648908 /nfs/dbraw/zinc/64/89/08/371648908.db2.gz FSMXFNRHSGLJMG-UHFFFAOYSA-N 1 0 287.451 2.683 50 0 CFAARO Cc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000001740861 371705457 /nfs/dbraw/zinc/70/54/57/371705457.db2.gz QLUGCOVDAXYIOE-UHFFFAOYSA-N 1 0 255.361 2.990 50 0 CFAARO C[N@H+](CCOC(=O)CCc1ccccc1)C(C)(C)C ZINC000002180605 371718266 /nfs/dbraw/zinc/71/82/66/371718266.db2.gz GILSPASQGGWCCF-UHFFFAOYSA-N 1 0 263.381 2.893 50 0 CFAARO CC[NH+](CC)CCOC(=O)Nc1ccc(C)cc1 ZINC000002171804 371718862 /nfs/dbraw/zinc/71/88/62/371718862.db2.gz XOAUJURPOOZDDB-UHFFFAOYSA-N 1 0 250.342 2.885 50 0 CFAARO Cc1ccc(OCCCCCC[NH2+]CCO)c(C)c1 ZINC000002380015 371724358 /nfs/dbraw/zinc/72/43/58/371724358.db2.gz ANYCHFNVJOZGEJ-UHFFFAOYSA-N 1 0 265.397 2.825 50 0 CFAARO C[NH+](C)CCN(Cc1cccs1)c1ccccn1 ZINC000002510048 371730129 /nfs/dbraw/zinc/73/01/29/371730129.db2.gz HNJJXZKZRAWDPF-UHFFFAOYSA-N 1 0 261.394 2.711 50 0 in-man CFAARO COc1cccc(OC)c1OCC[NH2+]Cc1ccccc1 ZINC000002522376 371731172 /nfs/dbraw/zinc/73/11/72/371731172.db2.gz UHCZGEARJQQIHS-UHFFFAOYSA-N 1 0 287.359 2.872 50 0 CFAARO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1)COc1ccccc1 ZINC000002616014 371740947 /nfs/dbraw/zinc/74/09/47/371740947.db2.gz XUMWZOHEALGQBC-HNNXBMFYSA-N 1 0 291.778 2.870 50 0 CFAARO Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000002696091 371746722 /nfs/dbraw/zinc/74/67/22/371746722.db2.gz MYCZMPJQZOSEFK-GOSISDBHSA-N 1 0 297.398 2.793 50 0 CFAARO Cc1cc(C)cc(OCCCCCC[NH2+]CCO)c1 ZINC000002901650 371763258 /nfs/dbraw/zinc/76/32/58/371763258.db2.gz GMPOFFZLPLHBNG-UHFFFAOYSA-N 1 0 265.397 2.825 50 0 CFAARO CC[NH+](CC)CCCNCc1ccc(OC)cc1OC ZINC000002933137 371765170 /nfs/dbraw/zinc/76/51/70/371765170.db2.gz LJTPAZJHWMYZOV-UHFFFAOYSA-N 1 0 280.412 2.525 50 0 CFAARO COc1ccc(C(=O)OCC[N@H+](C)C(C)(C)C)cc1OC ZINC000002984428 371766333 /nfs/dbraw/zinc/76/63/33/371766333.db2.gz DENNUNJBGSQFEK-UHFFFAOYSA-N 1 0 295.379 2.591 50 0 CFAARO CCC[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000003336013 371792666 /nfs/dbraw/zinc/79/26/66/371792666.db2.gz XXUGUKSJCVOXGA-UHFFFAOYSA-N 1 0 261.152 2.932 50 0 CFAARO CCOc1ccccc1OCCOCC[NH2+][C@H](C)CC ZINC000003001167 371769223 /nfs/dbraw/zinc/76/92/23/371769223.db2.gz GUNLAVLAQSULAY-CQSZACIVSA-N 1 0 281.396 2.869 50 0 CFAARO CC(C)c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000003173490 371777773 /nfs/dbraw/zinc/77/77/73/371777773.db2.gz KMBHNKCSFTXPOO-AWEZNQCLSA-N 1 0 265.397 2.938 50 0 CFAARO O[C@H](C[NH2+]CC1CCCCC1)COc1ccccc1 ZINC000003298539 371788899 /nfs/dbraw/zinc/78/88/99/371788899.db2.gz YOUKCWSAFDWXJM-OAHLLOKOSA-N 1 0 263.381 2.596 50 0 CFAARO Cc1cc(C)c(C)c(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000003315106 371788970 /nfs/dbraw/zinc/78/89/70/371788970.db2.gz DYEQPDDKINTEQL-HNNXBMFYSA-N 1 0 263.381 2.759 50 0 CFAARO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccccc1F ZINC000003314801 371789414 /nfs/dbraw/zinc/78/94/14/371789414.db2.gz KTWFNKWCEUHRDY-LLVKDONJSA-N 1 0 253.317 2.713 50 0 CFAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000004093530 371832060 /nfs/dbraw/zinc/83/20/60/371832060.db2.gz RTVATUWZNRNQTA-UHFFFAOYSA-N 1 0 289.423 2.552 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000003401128 371797020 /nfs/dbraw/zinc/79/70/20/371797020.db2.gz YUQIFIGQVPNNCB-CYBMUJFWSA-N 1 0 272.392 2.988 50 0 CFAARO Cc1cccc(NC(=O)C[NH+]2CCC(C)CC2)c1C ZINC000003538683 371805120 /nfs/dbraw/zinc/80/51/20/371805120.db2.gz XJTQCBLNCAMRDD-UHFFFAOYSA-N 1 0 260.381 2.974 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(F)c1 ZINC000003583726 371812172 /nfs/dbraw/zinc/81/21/72/371812172.db2.gz OAINULQDHFWDCL-NSHDSACASA-N 1 0 250.317 2.639 50 0 CFAARO COc1ccc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000003732350 371816102 /nfs/dbraw/zinc/81/61/02/371816102.db2.gz MISWUQUOGCFJPF-SNVBAGLBSA-N 1 0 256.143 2.882 50 0 CFAARO O=C(NCC[NH2+]C1CCCCCC1)c1cccs1 ZINC000004498182 371859265 /nfs/dbraw/zinc/85/92/65/371859265.db2.gz HAAUIBZCYNMBGD-UHFFFAOYSA-N 1 0 266.410 2.790 50 0 CFAARO CCOc1ccc(C[NH2+][C@H](CC)CO)cc1Cl ZINC000010474329 371910127 /nfs/dbraw/zinc/91/01/27/371910127.db2.gz AABJZMQAVOSKNE-LLVKDONJSA-N 1 0 257.761 2.599 50 0 CFAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000011754533 371927274 /nfs/dbraw/zinc/92/72/74/371927274.db2.gz WNKIAYROQDNYLJ-JTQLQIEISA-N 1 0 259.136 2.684 50 0 CFAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccoc2)C1)NC1CC1 ZINC000011843701 371932236 /nfs/dbraw/zinc/93/22/36/371932236.db2.gz HSJIEFVNPYZTFV-ZDUSSCGKSA-N 1 0 276.380 2.550 50 0 CFAARO CC(C)Oc1ccc(/C=C2/[C@H](O)C3CC[NH+]2CC3)cc1 ZINC000012382749 371957349 /nfs/dbraw/zinc/95/73/49/371957349.db2.gz LDEBHZYOXTUQCH-ZFOVBUMHSA-N 1 0 273.376 2.901 50 0 CFAARO CC(C)[NH+]1CCC(CNC(=O)C2CCCCC2)CC1 ZINC000012442753 371964952 /nfs/dbraw/zinc/96/49/52/371964952.db2.gz BAUYIZZGERVRHZ-UHFFFAOYSA-N 1 0 266.429 2.803 50 0 CFAARO CC(C)NC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012704949 371981127 /nfs/dbraw/zinc/98/11/27/371981127.db2.gz NRJIDAMQEXTXMT-CQSZACIVSA-N 1 0 281.444 2.881 50 0 CFAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1F ZINC000012909158 371998231 /nfs/dbraw/zinc/99/82/31/371998231.db2.gz WPEAODXWXHZRRT-OAHLLOKOSA-N 1 0 298.361 2.830 50 0 CFAARO COc1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000012223532 371947499 /nfs/dbraw/zinc/94/74/99/371947499.db2.gz DLHFUVPVQJMNGP-CYBMUJFWSA-N 1 0 291.395 2.691 50 0 CFAARO CC[NH2+]CC[C@H]1CCC(=O)N1C1C2CC3CC(C2)CC1C3 ZINC000012209989 371947901 /nfs/dbraw/zinc/94/79/01/371947901.db2.gz KZCXDOMHUMYMAN-PKSOCPPESA-N 1 0 290.451 2.802 50 0 CFAARO C[C@@H]1CN(C(=[NH2+])c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000013464783 372027706 /nfs/dbraw/zinc/02/77/06/372027706.db2.gz QBUIZOZCKUPZGT-NXEZZACHSA-N 1 0 252.745 2.775 50 0 CFAARO O=C(Cc1ccc(Cl)cc1)NCCC[NH+]1CCCCC1 ZINC000013648426 372037789 /nfs/dbraw/zinc/03/77/89/372037789.db2.gz GUSXNSDQTMDMTO-UHFFFAOYSA-N 1 0 294.826 2.875 50 0 CFAARO COc1cc(OC)c(OC)cc1C[NH2+]CCCOC(C)C ZINC000013721874 372044780 /nfs/dbraw/zinc/04/47/80/372044780.db2.gz NIPZBGCCVVBSJI-UHFFFAOYSA-N 1 0 297.395 2.617 50 0 CFAARO CCOc1c(Cl)cc(C[NH2+]CCCOC)cc1OC ZINC000013722437 372045192 /nfs/dbraw/zinc/04/51/92/372045192.db2.gz OZGZUVDRKUVNBS-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1cccs1)c1ccsc1 ZINC000013011190 372011201 /nfs/dbraw/zinc/01/12/01/372011201.db2.gz HIDYMDRGMXJLNL-LLVKDONJSA-N 1 0 280.418 2.842 50 0 CFAARO CCCCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016602705 372111879 /nfs/dbraw/zinc/11/18/79/372111879.db2.gz XNQOATPRXUJUDA-UHFFFAOYSA-N 1 0 274.408 2.957 50 0 CFAARO CCC[NH+]1CCC(NC(=O)Cc2ccccc2Cl)CC1 ZINC000016603652 372113453 /nfs/dbraw/zinc/11/34/53/372113453.db2.gz IKKCPXCSBNQTKY-UHFFFAOYSA-N 1 0 294.826 2.873 50 0 CFAARO Cc1scc(C(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000016604921 372113574 /nfs/dbraw/zinc/11/35/74/372113574.db2.gz KYFHGMAUHRBFPP-UHFFFAOYSA-N 1 0 280.437 2.968 50 0 CFAARO O=C(NC1CC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000016606697 372113623 /nfs/dbraw/zinc/11/36/23/372113623.db2.gz QIWXSKPAJMGPKT-UHFFFAOYSA-N 1 0 292.810 2.831 50 0 CFAARO Cc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c(C)o1 ZINC000016604067 372113641 /nfs/dbraw/zinc/11/36/41/372113641.db2.gz BDIWLTPXJUFPDG-UHFFFAOYSA-N 1 0 290.407 2.987 50 0 CFAARO Nc1cc(Cl)ccc1OCC[NH+]1CCCCC1 ZINC000014629347 372071293 /nfs/dbraw/zinc/07/12/93/372071293.db2.gz LPHVVCCNKGEBNM-UHFFFAOYSA-N 1 0 254.761 2.787 50 0 CFAARO Fc1cc(Br)ccc1O[C@H]1CCC[NH2+]C1 ZINC000014631824 372072177 /nfs/dbraw/zinc/07/21/77/372072177.db2.gz ORBKYIDBCZAEFB-VIFPVBQESA-N 1 0 274.133 2.719 50 0 CFAARO Cc1ccccc1CN1CC[N@@H+](CC(C)C)CCC1=O ZINC000014962333 372075408 /nfs/dbraw/zinc/07/54/08/372075408.db2.gz JDUJCAFEEASCQG-UHFFFAOYSA-N 1 0 274.408 2.685 50 0 CFAARO COc1ccccc1OCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016193423 372101584 /nfs/dbraw/zinc/10/15/84/372101584.db2.gz SGZOVOBZCNFWSZ-GASCZTMLSA-N 1 0 293.407 2.963 50 0 CFAARO COc1ccccc1CC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000017316184 372132519 /nfs/dbraw/zinc/13/25/19/372132519.db2.gz AJQQHHLULBMQMM-UHFFFAOYSA-N 1 0 298.386 2.986 50 0 CFAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000018007612 372137479 /nfs/dbraw/zinc/13/74/79/372137479.db2.gz AOJWIARIDZFUIS-OAHLLOKOSA-N 1 0 286.375 2.549 50 0 CFAARO CC[C@@H]1CN(Cc2[nH]c(-c3ccccc3)nc2C)CC[N@@H+]1C ZINC000019732969 372181901 /nfs/dbraw/zinc/18/19/01/372181901.db2.gz JTGGZFBAYCFZMV-MRXNPFEDSA-N 1 0 298.434 2.911 50 0 CFAARO CC[C@H](C)[NH+]1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000019499931 372170605 /nfs/dbraw/zinc/17/06/05/372170605.db2.gz XBSADJOSMMQZQC-AWEZNQCLSA-N 1 0 292.423 2.620 50 0 CFAARO CCN(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000019635096 372177893 /nfs/dbraw/zinc/17/78/93/372177893.db2.gz RIWAMSYOAKVSKL-UHFFFAOYSA-N 1 0 285.229 2.833 50 0 CFAARO Clc1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019945996 372214452 /nfs/dbraw/zinc/21/44/52/372214452.db2.gz YOYUFTAJOSRLKE-CQSZACIVSA-N 1 0 250.773 2.524 50 0 CFAARO CC1CCC([NH2+]CC(=O)Nc2ccc(F)cc2)CC1 ZINC000020050176 372223423 /nfs/dbraw/zinc/22/34/23/372223423.db2.gz CMMMSKWHCHEVMO-UHFFFAOYSA-N 1 0 264.344 2.933 50 0 CFAARO C=C1c2ccccc2NC(=O)N1C[C@@H]1CCC[N@H+]1CC ZINC000025062558 372289458 /nfs/dbraw/zinc/28/94/58/372289458.db2.gz OGSVSUAQJTYSCF-ZDUSSCGKSA-N 1 0 271.364 2.989 50 0 CFAARO CCN(CC[NH+](CC)CC)Cc1cc(OC)ccc1OC ZINC000022027490 372243719 /nfs/dbraw/zinc/24/37/19/372243719.db2.gz HWRPRFNFEKGASM-UHFFFAOYSA-N 1 0 294.439 2.868 50 0 CFAARO c1ccc(CC[NH2+][C@H]2CCc3ccccc3C2)nc1 ZINC000023280157 372255913 /nfs/dbraw/zinc/25/59/13/372255913.db2.gz GZYKCVCEAJAHJC-KRWDZBQOSA-N 1 0 252.361 2.771 50 0 CFAARO Cc1ccc(C)c(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)c1 ZINC000023471804 372260623 /nfs/dbraw/zinc/26/06/23/372260623.db2.gz YGQZJYWNJRYUID-NVXWUHKLSA-N 1 0 258.409 2.972 50 0 CFAARO CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000023991016 372268614 /nfs/dbraw/zinc/26/86/14/372268614.db2.gz XKCDUOSOLFONPA-ZDUSSCGKSA-N 1 0 278.400 2.667 50 0 CFAARO C[N@H+](CCC(=O)NC1CC1)Cc1ccc2ccccc2c1 ZINC000026904889 372330856 /nfs/dbraw/zinc/33/08/56/372330856.db2.gz YRVARXQMBQIIEK-UHFFFAOYSA-N 1 0 282.387 2.940 50 0 CFAARO CC[C@@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000030144175 372390153 /nfs/dbraw/zinc/39/01/53/372390153.db2.gz KHIZTSUFMCBVOT-GFCCVEGCSA-N 1 0 270.380 2.834 50 0 CFAARO CC(C)C[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000031934603 372422242 /nfs/dbraw/zinc/42/22/42/372422242.db2.gz RCMMOVAHXIUSEO-UHFFFAOYSA-N 1 0 291.420 2.609 50 0 CFAARO CCC[NH+]1CCC(n2cnc3c(F)cccc3c2=O)CC1 ZINC000032590280 372447799 /nfs/dbraw/zinc/44/77/99/372447799.db2.gz NZCYBYNCYOSAGA-UHFFFAOYSA-N 1 0 289.354 2.583 50 0 CFAARO Cc1ncc(CNc2cccc(C[NH+]3CCCC3)c2)n1C ZINC000032587161 372447993 /nfs/dbraw/zinc/44/79/93/372447993.db2.gz JYIXVIIWCUKEFJ-UHFFFAOYSA-N 1 0 284.407 2.936 50 0 CFAARO C(=C1/CCc2cnc3scn[n+]3c21)\c1ccccc1 ZINC000032690855 372455320 /nfs/dbraw/zinc/45/53/20/372455320.db2.gz PMNLVWMPRBZKOM-WQLSENKSSA-N 1 0 266.349 2.764 50 0 CFAARO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)sc1C ZINC000032721843 372455874 /nfs/dbraw/zinc/45/58/74/372455874.db2.gz WJSWBFPZWMRIOY-UHFFFAOYSA-N 1 0 266.410 2.531 50 0 CFAARO COc1ccc(OC)c(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000035111628 372540618 /nfs/dbraw/zinc/54/06/18/372540618.db2.gz SJYFRPYXUDTQEI-MRXNPFEDSA-N 1 0 287.359 2.527 50 0 CFAARO C[N@H+](CCOC(=O)/C=C\c1ccccc1)C(C)(C)C ZINC000033417548 372492956 /nfs/dbraw/zinc/49/29/56/372492956.db2.gz YYNKUKLFXJBLLX-KHPPLWFESA-N 1 0 261.365 2.973 50 0 CFAARO CCC(=O)O[C@@]1(c2ccc(C)cc2)CC[N@H+](C)[C@@H]1C ZINC000033864873 372501820 /nfs/dbraw/zinc/50/18/20/372501820.db2.gz ROOQMFGONPGNRH-CJNGLKHVSA-N 1 0 261.365 2.868 50 0 CFAARO c1ccc(COc2cccc(C[NH2+]C3CC3)c2)nc1 ZINC000034653411 372511730 /nfs/dbraw/zinc/51/17/30/372511730.db2.gz HOIVAUAUDRZYSG-UHFFFAOYSA-N 1 0 254.333 2.913 50 0 CFAARO COc1ccc(C[NH2+]C2CCSCC2)cc1OC ZINC000035120796 372542429 /nfs/dbraw/zinc/54/24/29/372542429.db2.gz QBQUNWBSMSDLQO-UHFFFAOYSA-N 1 0 267.394 2.689 50 0 CFAARO C[NH+](C)Cc1c[nH]c2cccc(Br)c12 ZINC000035635650 372550214 /nfs/dbraw/zinc/55/02/14/372550214.db2.gz WJLZJGWWMSKGKY-UHFFFAOYSA-N 1 0 253.143 2.992 50 0 CFAARO CCCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC(C)C ZINC000036199658 372565702 /nfs/dbraw/zinc/56/57/02/372565702.db2.gz UWQABJANGZJCCT-HNNXBMFYSA-N 1 0 262.397 2.799 50 0 CFAARO CCCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC(C)C ZINC000036199656 372566555 /nfs/dbraw/zinc/56/65/55/372566555.db2.gz UWQABJANGZJCCT-OAHLLOKOSA-N 1 0 262.397 2.799 50 0 CFAARO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)NC1CCCC1 ZINC000035132851 372545532 /nfs/dbraw/zinc/54/55/32/372545532.db2.gz NJALAZMPNRCEFH-QWRGUYRKSA-N 1 0 266.410 2.846 50 0 CFAARO CC(C)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000036899022 372607883 /nfs/dbraw/zinc/60/78/83/372607883.db2.gz JMIUXVSZJFQHLM-UHFFFAOYSA-N 1 0 254.131 2.962 50 0 CFAARO CC(=O)N1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000037138524 372653672 /nfs/dbraw/zinc/65/36/72/372653672.db2.gz GEHYWTVIGOYZOQ-LLVKDONJSA-N 1 0 264.369 2.558 50 0 CFAARO COc1cc(CC[NH3+])cc(OC)c1OCc1ccccc1 ZINC000037721996 372694190 /nfs/dbraw/zinc/69/41/90/372694190.db2.gz BUJBXOZJFOWVCR-UHFFFAOYSA-N 1 0 287.359 2.784 50 0 CFAARO CC[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(OC)cc1 ZINC000037893435 372731219 /nfs/dbraw/zinc/73/12/19/372731219.db2.gz ZVASKSILPTVFSO-OAHLLOKOSA-N 1 0 259.353 2.968 50 0 CFAARO Cc1n[nH]cc1C[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037776100 372706169 /nfs/dbraw/zinc/70/61/69/372706169.db2.gz VEUQNICEUSRNLY-SECBINFHSA-N 1 0 265.307 2.717 50 0 CFAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(c2ccccc2)CC1 ZINC000037804549 372715210 /nfs/dbraw/zinc/71/52/10/372715210.db2.gz FIVSOBWAOJLGRD-BBRMVZONSA-N 1 0 274.408 2.766 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 ZINC000041028680 372805324 /nfs/dbraw/zinc/80/53/24/372805324.db2.gz YOCMRVKURXUGFQ-MRVPVSSYSA-N 1 0 273.163 2.557 50 0 CFAARO O=C(Nc1ccc(Sc2ccncc2)cc1)[C@H]1CCC[NH2+]1 ZINC000237991722 189896813 /nfs/dbraw/zinc/89/68/13/189896813.db2.gz PHSDJRAPCSYTII-OAHLLOKOSA-N 1 0 299.399 2.923 50 0 CFAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000041327766 372831358 /nfs/dbraw/zinc/83/13/58/372831358.db2.gz BGUUQDKRCNYJFQ-SNVBAGLBSA-N 1 0 257.255 2.888 50 0 CFAARO O[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000041344115 372832981 /nfs/dbraw/zinc/83/29/81/372832981.db2.gz SSXRXLXPTLCXJM-JQWIXIFHSA-N 1 0 259.271 2.738 50 0 CFAARO O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000041344109 372833738 /nfs/dbraw/zinc/83/37/38/372833738.db2.gz SSXRXLXPTLCXJM-PWSUYJOCSA-N 1 0 259.271 2.738 50 0 CFAARO COc1cccc(-c2cccc(N3CC[NH2+]CC3)c2)c1 ZINC000041388088 372834419 /nfs/dbraw/zinc/83/44/19/372834419.db2.gz KORAOSHEKPUZLD-UHFFFAOYSA-N 1 0 268.360 2.772 50 0 CFAARO C[C@H](CNC(=O)c1cc(Cl)ccc1F)[NH+]1CCCC1 ZINC000042505482 372928234 /nfs/dbraw/zinc/92/82/34/372928234.db2.gz DEMAJIHEVKYNAH-SNVBAGLBSA-N 1 0 284.762 2.693 50 0 CFAARO Cc1cc(OC[C@@H]2CC[NH2+]C2)ccc1Br ZINC000042770617 372954273 /nfs/dbraw/zinc/95/42/73/372954273.db2.gz ZVXOIEGQRMYLRN-SNVBAGLBSA-N 1 0 270.170 2.746 50 0 CFAARO COC(=O)c1ccccc1COCC[C@@H]1CCCC[NH2+]1 ZINC000042773813 372953553 /nfs/dbraw/zinc/95/35/53/372953553.db2.gz ISEJPNIKUPEMSY-AWEZNQCLSA-N 1 0 277.364 2.522 50 0 CFAARO Fc1cc(Br)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042773615 372953604 /nfs/dbraw/zinc/95/36/04/372953604.db2.gz YXMJUKLEAKUFET-QMMMGPOBSA-N 1 0 274.133 2.577 50 0 CFAARO COc1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774344 372954392 /nfs/dbraw/zinc/95/43/92/372954392.db2.gz NYRILRLWLTZQQR-JTQLQIEISA-N 1 0 286.169 2.589 50 0 CFAARO Brc1cccc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000042774176 372954571 /nfs/dbraw/zinc/95/45/71/372954571.db2.gz VJUSORYEVRZJCP-SNVBAGLBSA-N 1 0 285.185 2.613 50 0 CFAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1ccsc1 ZINC000046859529 373066114 /nfs/dbraw/zinc/06/61/14/373066114.db2.gz KQJKOISHNBZZGF-ZDUSSCGKSA-N 1 0 280.437 2.671 50 0 CFAARO Cc1cc(C)n([C@@H]2CC[N@H+](CCCc3cccnc3)C2)n1 ZINC000244794547 189911779 /nfs/dbraw/zinc/91/17/79/189911779.db2.gz QOUIUYQJWMLCDI-QGZVFWFLSA-N 1 0 284.407 2.775 50 0 CFAARO COCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000047190806 373083065 /nfs/dbraw/zinc/08/30/65/373083065.db2.gz XFBGPBLPUDBOSV-ZDUSSCGKSA-N 1 0 276.380 2.646 50 0 CFAARO OCC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000047958924 373135854 /nfs/dbraw/zinc/13/58/54/373135854.db2.gz VJSICKQVMPRLEM-UHFFFAOYSA-N 1 0 269.385 2.622 50 0 CFAARO CCCCNC(=O)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000048042776 373141310 /nfs/dbraw/zinc/14/13/10/373141310.db2.gz UADCOTYJTAAOKK-UHFFFAOYSA-N 1 0 292.398 2.954 50 0 CFAARO C[C@H](c1ccc2ccccc2c1)[N@H+](CC(N)=O)C1CC1 ZINC000049333257 373289067 /nfs/dbraw/zinc/28/90/67/373289067.db2.gz LTDQNIHEWAZBEI-GFCCVEGCSA-N 1 0 268.360 2.851 50 0 CFAARO Cc1ccc(C[NH2+][C@H]2CCCc3[nH]c(=O)ccc32)s1 ZINC000049395461 373293567 /nfs/dbraw/zinc/29/35/67/373293567.db2.gz ADHYQOMUNFZQJX-ZDUSSCGKSA-N 1 0 274.389 2.912 50 0 CFAARO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000049580933 373313373 /nfs/dbraw/zinc/31/33/73/373313373.db2.gz FFWAXGJVOWERJD-AWEZNQCLSA-N 1 0 288.435 2.988 50 0 CFAARO Cc1nc2ccccc2n1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000050267730 373365948 /nfs/dbraw/zinc/36/59/48/373365948.db2.gz VQVDAWHWTSUPGP-AWEZNQCLSA-N 1 0 271.364 2.627 50 0 CFAARO O[C@@H](C[NH+]1CCSCC1)c1cccc(C(F)(F)F)c1 ZINC000051401264 373393681 /nfs/dbraw/zinc/39/36/81/373393681.db2.gz ZDMRYJVCDPOXDH-LBPRGKRZSA-N 1 0 291.338 2.788 50 0 CFAARO Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCc1ccccc1 ZINC000051404525 373393905 /nfs/dbraw/zinc/39/39/05/373393905.db2.gz WENQOTYRIXSCAK-SFHVURJKSA-N 1 0 299.414 2.909 50 0 CFAARO C[NH+]1C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 ZINC000052525319 373444617 /nfs/dbraw/zinc/44/46/17/373444617.db2.gz WWXHATMUSYQHED-IRXDYDNUSA-N 1 0 293.366 2.930 50 0 CFAARO Cc1cc(C[NH2+]CC(C)C)nc(N2CCCCC2)n1 ZINC000054832314 373530835 /nfs/dbraw/zinc/53/08/35/373530835.db2.gz POPLUSDUPRZKSG-UHFFFAOYSA-N 1 0 262.401 2.521 50 0 CFAARO C[N@@H+](CCc1ccccn1)CC[C@H](O)c1ccccc1 ZINC000053932475 373487929 /nfs/dbraw/zinc/48/79/29/373487929.db2.gz HLPFTCCMCZCFSJ-KRWDZBQOSA-N 1 0 270.376 2.680 50 0 CFAARO COC(=O)[C@@H]1CC[NH2+][C@@H]1c1c(Cl)cccc1Cl ZINC000057330621 373587944 /nfs/dbraw/zinc/58/79/44/373587944.db2.gz OJCNQXAYXHHTBC-HQJQHLMTSA-N 1 0 274.147 2.817 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1cc(Br)ccc1F ZINC000057353619 373589294 /nfs/dbraw/zinc/58/92/94/373589294.db2.gz NAXBLKVTPPYSPU-JTQLQIEISA-N 1 0 290.132 2.541 50 0 CFAARO CCOC(=O)N1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000055292070 373547358 /nfs/dbraw/zinc/54/73/58/373547358.db2.gz WPIIKCRHNKHBOD-CQSZACIVSA-N 1 0 276.380 2.564 50 0 CFAARO CC[C@H](CO)[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC000055360191 373549388 /nfs/dbraw/zinc/54/93/88/373549388.db2.gz KWYKSTHJGPIJHR-GOSISDBHSA-N 1 0 284.403 2.897 50 0 CFAARO CCCCN(Cc1ccccc1C)C(=O)C1([NH3+])CC1 ZINC000055393275 373551520 /nfs/dbraw/zinc/55/15/20/373551520.db2.gz MUTNBQRDNJYMNG-UHFFFAOYSA-N 1 0 260.381 2.615 50 0 CFAARO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000058424131 373657294 /nfs/dbraw/zinc/65/72/94/373657294.db2.gz LFDIQXNWYYONHD-JKSUJKDBSA-N 1 0 277.408 2.652 50 0 CFAARO CC(C)([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1 ZINC000058305517 373643400 /nfs/dbraw/zinc/64/34/00/373643400.db2.gz BNPNMJXAZCZTEG-UHFFFAOYSA-N 1 0 299.399 2.781 50 0 CFAARO CC[NH+](CC)CCOc1ccccc1NC(=O)C1CC1 ZINC000058344081 373648499 /nfs/dbraw/zinc/64/84/99/373648499.db2.gz NGNPJSPCGSHULD-UHFFFAOYSA-N 1 0 276.380 2.756 50 0 CFAARO [NH2+]=C(NCc1ccccc1)NCc1ccc(F)c(F)c1 ZINC000058366290 373649920 /nfs/dbraw/zinc/64/99/20/373649920.db2.gz CYTPCQJEOXIUAU-UHFFFAOYSA-N 1 0 275.302 2.779 50 0 CFAARO Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000057554338 373597766 /nfs/dbraw/zinc/59/77/66/373597766.db2.gz OPXBSBXIJQYCCL-MRXNPFEDSA-N 1 0 298.386 2.901 50 0 CFAARO Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000057554342 373598252 /nfs/dbraw/zinc/59/82/52/373598252.db2.gz OPXBSBXIJQYCCL-INIZCTEOSA-N 1 0 298.386 2.901 50 0 CFAARO Cc1cc(Cl)ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000058466938 373659508 /nfs/dbraw/zinc/65/95/08/373659508.db2.gz NUSORSAWQGEWLD-UHFFFAOYSA-N 1 0 281.787 2.864 50 0 CFAARO OCC[NH+]1CCN(c2ccc(Oc3ccccc3)cc2)CC1 ZINC000058511392 373660603 /nfs/dbraw/zinc/66/06/03/373660603.db2.gz HEHTVJDHIJGTIY-UHFFFAOYSA-N 1 0 298.386 2.593 50 0 CFAARO CC(C)CNC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000060168238 373688205 /nfs/dbraw/zinc/68/82/05/373688205.db2.gz AEJXVRDJCWOAQM-KRWDZBQOSA-N 1 0 286.419 2.911 50 0 CFAARO CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000060331496 373690366 /nfs/dbraw/zinc/69/03/66/373690366.db2.gz IOZSPFMDOBBTAV-UHFFFAOYSA-N 1 0 264.394 2.502 50 0 CFAARO O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1ccccc1 ZINC000062001323 373743377 /nfs/dbraw/zinc/74/33/77/373743377.db2.gz GSGZVMALTPALHZ-NVXWUHKLSA-N 1 0 264.328 2.611 50 0 CFAARO CCOc1ccccc1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000062254661 373757443 /nfs/dbraw/zinc/75/74/43/373757443.db2.gz PHHLDGCJXZLYGU-AWEZNQCLSA-N 1 0 273.380 2.708 50 0 CFAARO O=C([C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCCC1 ZINC000064552837 373829077 /nfs/dbraw/zinc/82/90/77/373829077.db2.gz KHTYGAPTGUOOLG-CYBMUJFWSA-N 1 0 278.421 2.583 50 0 CFAARO C/C=C(\C)C[N@H+](C)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000065533734 373885683 /nfs/dbraw/zinc/88/56/83/373885683.db2.gz FPCLNJWFVYDYSQ-HIICFIELSA-N 1 0 264.413 2.676 50 0 CFAARO CCCc1cnc(C)nc1N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000065530901 373885797 /nfs/dbraw/zinc/88/57/97/373885797.db2.gz RHEQCUJJHUTHIO-CYBMUJFWSA-N 1 0 288.439 2.801 50 0 CFAARO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)NC1CC1 ZINC000065553978 373887626 /nfs/dbraw/zinc/88/76/26/373887626.db2.gz HBNDWULGNINPDI-DLBZAZTESA-N 1 0 286.419 2.923 50 0 CFAARO CCC(=O)N(CC[NH+](C)C)Cc1ccc(Cl)cc1 ZINC000065563407 373888064 /nfs/dbraw/zinc/88/80/64/373888064.db2.gz KDVPGRJTPRJKSR-UHFFFAOYSA-N 1 0 268.788 2.640 50 0 CFAARO CC(=O)NCCCC1=CC[N@@H+]([C@H]2C=CCCC2)CC1 ZINC000065381914 373861166 /nfs/dbraw/zinc/86/11/66/373861166.db2.gz FGQNJJYJQGCYCL-INIZCTEOSA-N 1 0 262.397 2.644 50 0 CFAARO OCC[N@H+](C[C@H]1CCOC1)CC12CC3CC(CC(C3)C1)C2 ZINC000065394500 373864097 /nfs/dbraw/zinc/86/40/97/373864097.db2.gz WMRTZFPBDGWJTK-CZVCLPBNSA-N 1 0 293.451 2.534 50 0 CFAARO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000065387411 373864698 /nfs/dbraw/zinc/86/46/98/373864698.db2.gz JPSLWERXQHBIPQ-CQSZACIVSA-N 1 0 293.374 2.855 50 0 CFAARO C[C@H]([NH2+]CCC1=CCCCC1)C(=O)Nc1nccs1 ZINC000065396081 373866215 /nfs/dbraw/zinc/86/62/15/373866215.db2.gz YYYKEMYMWCEBIH-NSHDSACASA-N 1 0 279.409 2.950 50 0 CFAARO CNC(=O)C[C@@H](C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000065430692 373870780 /nfs/dbraw/zinc/87/07/80/373870780.db2.gz LYYWKHCCXZUXCH-SNVBAGLBSA-N 1 0 288.313 2.662 50 0 CFAARO CCc1cc2c(ncnc2N2CCC([NH+](C)C)CC2)s1 ZINC000065446366 373873730 /nfs/dbraw/zinc/87/37/30/373873730.db2.gz CZLHNJIMQZZXCT-UHFFFAOYSA-N 1 0 290.436 2.784 50 0 CFAARO c1cncc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000066172008 373919083 /nfs/dbraw/zinc/91/90/83/373919083.db2.gz JTYVATLNTCAODJ-GOSISDBHSA-N 1 0 298.386 2.929 50 0 CFAARO [NH3+][C@H]1CCC[C@H]1c1ccc(I)cc1 ZINC000066339901 373925438 /nfs/dbraw/zinc/92/54/38/373925438.db2.gz NIXWOCOUOFZCCE-QWRGUYRKSA-N 1 0 287.144 2.886 50 0 CFAARO Cn1c2ccc(N)cc2nc1C[NH+]1CCCCCC1 ZINC000066442630 373932459 /nfs/dbraw/zinc/93/24/59/373932459.db2.gz DIIOZNQZSVADFD-UHFFFAOYSA-N 1 0 258.369 2.532 50 0 CFAARO Cc1ccccc1CCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000067725856 373997519 /nfs/dbraw/zinc/99/75/19/373997519.db2.gz OLTVASPHEKQQNK-MRXNPFEDSA-N 1 0 288.435 2.776 50 0 CFAARO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3sccc3[nH]2)C1 ZINC000067785398 374002718 /nfs/dbraw/zinc/00/27/18/374002718.db2.gz VKFRNMOEKYYDAG-NSHDSACASA-N 1 0 291.420 2.691 50 0 CFAARO CCc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC)C2)[nH]n1 ZINC000067840364 374006579 /nfs/dbraw/zinc/00/65/79/374006579.db2.gz ZIDNLJCUJNLNEQ-ZDUSSCGKSA-N 1 0 287.411 2.637 50 0 CFAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc3sccc3[nH]1)C2 ZINC000067847340 374009522 /nfs/dbraw/zinc/00/95/22/374009522.db2.gz YZWQTAGVYZXQMM-WDEREUQCSA-N 1 0 289.404 2.538 50 0 CFAARO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1ccc2nonc2c1 ZINC000067894501 374012409 /nfs/dbraw/zinc/01/24/09/374012409.db2.gz AYBVESBHCLYFGV-LLVKDONJSA-N 1 0 285.351 2.756 50 0 CFAARO CC(C)c1ccc2cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)[nH]c2c1 ZINC000067885479 374013297 /nfs/dbraw/zinc/01/32/97/374013297.db2.gz IZVGNIZEQHZNPB-ZDUSSCGKSA-N 1 0 299.418 2.973 50 0 CFAARO C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1nc2ccccc2[nH]1 ZINC000067895449 374013717 /nfs/dbraw/zinc/01/37/17/374013717.db2.gz BNMKOKPWZDHJGC-CYBMUJFWSA-N 1 0 295.390 2.911 50 0 CFAARO C/C=C/CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067878714 374013872 /nfs/dbraw/zinc/01/38/72/374013872.db2.gz JUYCOZOSCDDQCN-BAABZTOOSA-N 1 0 290.382 2.730 50 0 CFAARO Cc1ccoc1C(=O)NC[C@@H](c1sccc1C)[NH+](C)C ZINC000067934601 374016053 /nfs/dbraw/zinc/01/60/53/374016053.db2.gz HJQINXXIIOTKQW-LBPRGKRZSA-N 1 0 292.404 2.991 50 0 CFAARO Cc1ccc2[nH]c(C[NH2+][C@H](C)Cc3cnccn3)nc2c1C ZINC000067473358 373980923 /nfs/dbraw/zinc/98/09/23/373980923.db2.gz XVHBRRRISHTDAB-GFCCVEGCSA-N 1 0 295.390 2.691 50 0 CFAARO [NH3+]C[C@@H]1Cc2c(ccc3cc(-c4cnccn4)ccc23)O1 ZINC000067514813 373981053 /nfs/dbraw/zinc/98/10/53/373981053.db2.gz VZDHDXOTUDNVSJ-ZDUSSCGKSA-N 1 0 277.327 2.559 50 0 CFAARO Cc1cnc(C)c(-c2cc(Cl)cc3c2O[C@H](C[NH3+])C3)n1 ZINC000067677870 373992195 /nfs/dbraw/zinc/99/21/95/373992195.db2.gz OTZSQLCFKHDNTH-LBPRGKRZSA-N 1 0 289.766 2.676 50 0 CFAARO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCC(=O)N(C)C)c2C1 ZINC000068962950 374043358 /nfs/dbraw/zinc/04/33/58/374043358.db2.gz ZJUNHYPINOXFSD-CYBMUJFWSA-N 1 0 289.423 2.547 50 0 CFAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccnc(-c2ccccc2)n1 ZINC000069351307 374056283 /nfs/dbraw/zinc/05/62/83/374056283.db2.gz HUVDJYJOCBXMLC-AWEZNQCLSA-N 1 0 293.374 2.518 50 0 CFAARO COCC[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000069413807 374059196 /nfs/dbraw/zinc/05/91/96/374059196.db2.gz KWAVSCPMEJICMB-UHFFFAOYSA-N 1 0 283.318 2.506 50 0 CFAARO CSc1ccc(C)c(C(=O)N(C)C2CC[NH+](C)CC2)c1 ZINC000069417778 374061700 /nfs/dbraw/zinc/06/17/00/374061700.db2.gz QALZAZAAEWXLMA-UHFFFAOYSA-N 1 0 292.448 2.883 50 0 CFAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cccc3c2OCO3)c1 ZINC000069463849 374066129 /nfs/dbraw/zinc/06/61/29/374066129.db2.gz BTVNJVYNOLRHNI-STQMWFEESA-N 1 0 287.363 2.660 50 0 CFAARO Cc1cnn(C[C@@H](C)[NH2+]CCCc2ccccc2)c1 ZINC000069493281 374067534 /nfs/dbraw/zinc/06/75/34/374067534.db2.gz CDCSVTDTSMZBBS-OAHLLOKOSA-N 1 0 257.381 2.802 50 0 CFAARO Cc1cnn(C[C@H](C)[NH2+]Cc2c[nH]nc2-c2ccccc2)c1 ZINC000069512759 374070195 /nfs/dbraw/zinc/07/01/95/374070195.db2.gz GOKCXWUVIKFFIW-AWEZNQCLSA-N 1 0 295.390 2.760 50 0 CFAARO CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1csc(C)n1 ZINC000069528804 374072047 /nfs/dbraw/zinc/07/20/47/374072047.db2.gz NFJSSGZFRBMIKB-KBPBESRZSA-N 1 0 293.436 2.540 50 0 CFAARO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069569563 374074403 /nfs/dbraw/zinc/07/44/03/374074403.db2.gz JQVZWPFQFLTYMJ-ZFWWWQNUSA-N 1 0 274.408 2.779 50 0 CFAARO CC[N@H+](CCNC(=O)c1cccc(C)c1C)C1CC1 ZINC000069562108 374075165 /nfs/dbraw/zinc/07/51/65/374075165.db2.gz DOAGDWUGFVEAJB-UHFFFAOYSA-N 1 0 260.381 2.518 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC000069659273 374083203 /nfs/dbraw/zinc/08/32/03/374083203.db2.gz NXHJCRHOEQIQJR-GJZGRUSLSA-N 1 0 264.413 2.652 50 0 CFAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000069919436 374109405 /nfs/dbraw/zinc/10/94/05/374109405.db2.gz CHQNWRVSIVRYFA-MRXNPFEDSA-N 1 0 270.380 2.560 50 0 CFAARO CC[C@](C)(CO)[NH2+]Cc1csc(Br)c1 ZINC000069948024 374112158 /nfs/dbraw/zinc/11/21/58/374112158.db2.gz RDCGYIZXGMCWAC-SNVBAGLBSA-N 1 0 278.215 2.761 50 0 CFAARO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000070011010 374115341 /nfs/dbraw/zinc/11/53/41/374115341.db2.gz IZRUSOBGAIFWDV-CVEARBPZSA-N 1 0 264.413 2.652 50 0 CFAARO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCOCO1 ZINC000069779534 374096388 /nfs/dbraw/zinc/09/63/88/374096388.db2.gz XXCLXKKQYXNWTI-LBPRGKRZSA-N 1 0 289.297 2.900 50 0 CFAARO CC(C)=CCN1CC[N@H+](C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000069807972 374097910 /nfs/dbraw/zinc/09/79/10/374097910.db2.gz CXGMBLZHGUTSOL-WMZOPIPTSA-N 1 0 288.435 2.692 50 0 CFAARO CC(C)[N@@H+](Cc1cc(F)cc2cccnc21)C[C@H](C)O ZINC000069808388 374098060 /nfs/dbraw/zinc/09/80/60/374098060.db2.gz HAUAXCXMDRBBLE-LBPRGKRZSA-N 1 0 276.355 2.965 50 0 CFAARO Clc1ccc(C2([NH2+]CCCn3cncn3)CCC2)cc1 ZINC000069844670 374105653 /nfs/dbraw/zinc/10/56/53/374105653.db2.gz XLGCRYUHLIAUIW-UHFFFAOYSA-N 1 0 290.798 2.991 50 0 CFAARO Cn1cc(CCC[N@@H+]2CC[C@H](c3ccccc3)C2)cn1 ZINC000069894692 374106941 /nfs/dbraw/zinc/10/69/41/374106941.db2.gz MYQFCJSJLPWVLJ-KRWDZBQOSA-N 1 0 269.392 2.842 50 0 CFAARO CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2CC[N@@H+]3CCCC[C@H]1[C@H]23 ZINC000070454855 374180471 /nfs/dbraw/zinc/18/04/71/374180471.db2.gz ROIHYOJMCBKEER-FGBMJVKNSA-N 1 0 277.408 2.695 50 0 biogenic,in-vitro CFAARO C[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)[C@@H]1C[NH3+] ZINC000070176210 374140933 /nfs/dbraw/zinc/14/09/33/374140933.db2.gz KBKZWLNVZHANKC-NOZJJQNGSA-N 1 0 284.762 2.679 50 0 CFAARO Cc1c[nH+]ccc1NCCc1ccc2c(c1)OCCO2 ZINC000070489451 374187893 /nfs/dbraw/zinc/18/78/93/374187893.db2.gz JXLRGTYMAHBTTI-UHFFFAOYSA-N 1 0 270.332 2.816 50 0 CFAARO CN(Cc1ccc(CCC(C)(C)O)cc1)[C@H]1CC[N@H+](C)C1 ZINC000072481488 374256581 /nfs/dbraw/zinc/25/65/81/374256581.db2.gz WZJQKQHDZPBAIA-KRWDZBQOSA-N 1 0 290.451 2.526 50 0 CFAARO CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1N(C)C ZINC000072710419 374280708 /nfs/dbraw/zinc/28/07/08/374280708.db2.gz FUIKOCROPAOXKS-UHFFFAOYSA-N 1 0 283.803 2.686 50 0 CFAARO C[C@H]1COC2(CC[NH+](CCCc3ccccc3)CC2)O1 ZINC000075143572 374461202 /nfs/dbraw/zinc/46/12/02/374461202.db2.gz QPPMCWZMZYMLKI-HNNXBMFYSA-N 1 0 275.392 2.847 50 0 CFAARO C[N@H+](Cc1ccccn1)[C@@H](CCO)c1ccccc1 ZINC000075897921 374511292 /nfs/dbraw/zinc/51/12/92/374511292.db2.gz NWVQPJOKTXCWAS-INIZCTEOSA-N 1 0 256.349 2.637 50 0 CFAARO C[C@H](c1ccccc1)[N@H+](CCS(C)(=O)=O)CC1CCC1 ZINC000076019819 374520206 /nfs/dbraw/zinc/52/02/06/374520206.db2.gz YLDYVDKLESUXEV-CQSZACIVSA-N 1 0 295.448 2.894 50 0 CFAARO COC[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000079091027 374593031 /nfs/dbraw/zinc/59/30/31/374593031.db2.gz PDIKPKOZZQFSRM-GFCCVEGCSA-N 1 0 254.761 2.593 50 0 CFAARO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCSCC1 ZINC000083475180 374746981 /nfs/dbraw/zinc/74/69/81/374746981.db2.gz YQFSKXFIPUVOFB-UHFFFAOYSA-N 1 0 288.457 2.775 50 0 CFAARO CCSc1ccc(C(=O)N2CCCC[C@H]([NH3+])C2)s1 ZINC000082098121 374726285 /nfs/dbraw/zinc/72/62/85/374726285.db2.gz JOQGFYDPPLXYLJ-JTQLQIEISA-N 1 0 284.450 2.814 50 0 CFAARO [NH3+][C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000087859014 374833136 /nfs/dbraw/zinc/83/31/36/374833136.db2.gz MEDMOVJGPKLNJJ-CZUORRHYSA-N 1 0 273.307 2.536 50 0 CFAARO CCC1(CNC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CCC1 ZINC000084319869 374773809 /nfs/dbraw/zinc/77/38/09/374773809.db2.gz WWOHWCYDRRBPOU-CQSZACIVSA-N 1 0 281.444 2.596 50 0 CFAARO C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CN1Cc1ccccc1 ZINC000084686467 374788230 /nfs/dbraw/zinc/78/82/30/374788230.db2.gz ZYVVPHVLBUQSDH-CCGTUFIJSA-N 1 0 288.435 2.543 50 0 CFAARO CC(C)COC(=O)N1CCC([NH2+]Cc2ccco2)CC1 ZINC000089134486 374870823 /nfs/dbraw/zinc/87/08/23/374870823.db2.gz RHSSWXRIUOHQME-UHFFFAOYSA-N 1 0 280.368 2.626 50 0 CFAARO Nc1cccc(CC[NH+]2CCc3ccccc3CC2)c1 ZINC000087846414 374833674 /nfs/dbraw/zinc/83/36/74/374833674.db2.gz RXKAROIRDIMAEW-UHFFFAOYSA-N 1 0 266.388 2.912 50 0 CFAARO Cc1ccoc1[C@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000089515363 374915908 /nfs/dbraw/zinc/91/59/08/374915908.db2.gz NNUAARYLWJWNOX-LBPRGKRZSA-N 1 0 270.336 2.524 50 0 CFAARO C[N@H+](CCc1cccs1)C1CCC(CO)CC1 ZINC000089924335 374968804 /nfs/dbraw/zinc/96/88/04/374968804.db2.gz DNHNTHBARNMBGM-UHFFFAOYSA-N 1 0 253.411 2.774 50 0 CFAARO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000089920380 374969156 /nfs/dbraw/zinc/96/91/56/374969156.db2.gz OZXZKMGSNLISSF-OAGGEKHMSA-N 1 0 278.440 2.757 50 0 CFAARO Cc1csc(C2([NH2+]C[C@H](O)COC(C)C)CCCC2)n1 ZINC000089705456 374940523 /nfs/dbraw/zinc/94/05/23/374940523.db2.gz POAAYGNGKKJGIZ-ZDUSSCGKSA-N 1 0 298.452 2.596 50 0 CFAARO O=C1OCCN1c1cccc2c1CC[N@H+](CC1CCC1)C2 ZINC000089800226 374952646 /nfs/dbraw/zinc/95/26/46/374952646.db2.gz JJPGNUNBQHCXTI-UHFFFAOYSA-N 1 0 286.375 2.801 50 0 CFAARO OCCN(Cc1cccnc1)c1cc[nH+]c2cc(F)ccc21 ZINC000089793994 374952813 /nfs/dbraw/zinc/95/28/13/374952813.db2.gz OWKIDXZOQHFUPD-UHFFFAOYSA-N 1 0 297.333 2.768 50 0 CFAARO COC[C@@](C)(CCO)[NH2+]Cc1cc2ccccc2s1 ZINC000089895564 374966506 /nfs/dbraw/zinc/96/65/06/374966506.db2.gz IOMIRKUFACBENC-OAHLLOKOSA-N 1 0 279.405 2.778 50 0 CFAARO C[C@@H](Cc1ccccc1Br)[NH2+]Cc1ncc[nH]1 ZINC000089904210 374966930 /nfs/dbraw/zinc/96/69/30/374966930.db2.gz KKVMRXYIGASTNN-JTQLQIEISA-N 1 0 294.196 2.893 50 0 CFAARO COc1ccnc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1 ZINC000089922971 374968396 /nfs/dbraw/zinc/96/83/96/374968396.db2.gz SKHGUZZQTAXGRK-UHFFFAOYSA-N 1 0 285.391 2.788 50 0 CFAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2occc2C)[C@@H](CC)C1 ZINC000089948792 374974857 /nfs/dbraw/zinc/97/48/57/374974857.db2.gz ZJOBEPNVOYBWCP-UONOGXRCSA-N 1 0 278.396 2.715 50 0 CFAARO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccsc1 ZINC000090178684 374998148 /nfs/dbraw/zinc/99/81/48/374998148.db2.gz HAROZMHDKMLGBO-ZYHUDNBSSA-N 1 0 266.410 2.798 50 0 CFAARO COCc1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000092967494 375171237 /nfs/dbraw/zinc/17/12/37/375171237.db2.gz AJSDRKFONZKWNQ-QGZVFWFLSA-N 1 0 285.391 2.867 50 0 CFAARO COc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1O ZINC000092540689 375122081 /nfs/dbraw/zinc/12/20/81/375122081.db2.gz GFRPEDIKWVUEPY-PHIMTYICSA-N 1 0 267.394 2.727 50 0 CFAARO CCn1nc(C)c(C[NH+]2C[C@H](C)S[C@@H](C)C2)c1C ZINC000092540664 375122136 /nfs/dbraw/zinc/12/21/36/375122136.db2.gz QSHCZZNWMBUSDC-QWRGUYRKSA-N 1 0 267.442 2.846 50 0 CFAARO COc1ccccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000093866167 375323073 /nfs/dbraw/zinc/32/30/73/375323073.db2.gz CEOLONMVQCHNFA-INIZCTEOSA-N 1 0 284.359 2.744 50 0 CFAARO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093899039 375329658 /nfs/dbraw/zinc/32/96/58/375329658.db2.gz MHOSDNLVGJAAJO-AWEZNQCLSA-N 1 0 297.402 2.563 50 0 CFAARO CN(Cc1c(F)cccc1Cl)C(=O)CC1([NH3+])CCC1 ZINC000094294352 375349453 /nfs/dbraw/zinc/34/94/53/375349453.db2.gz PMDSCSGPFOPWMK-UHFFFAOYSA-N 1 0 284.762 2.709 50 0 CFAARO CC1(C)C[C@H]([NH2+]CCCCn2ccnc2)C(C)(C)O1 ZINC000094424245 375361240 /nfs/dbraw/zinc/36/12/40/375361240.db2.gz XYULBBZLKYSPDD-ZDUSSCGKSA-N 1 0 265.401 2.599 50 0 CFAARO COCc1nc(C[NH2+]CC2([C@H](C)CCO)CCC2)cs1 ZINC000095988545 375466404 /nfs/dbraw/zinc/46/64/04/375466404.db2.gz QTPLSGXTBGNETI-GFCCVEGCSA-N 1 0 298.452 2.568 50 0 CFAARO C[C@H]([NH2+]Cc1ncccc1C(F)(F)F)[C@H]1CCOC1 ZINC000095988361 375466799 /nfs/dbraw/zinc/46/67/99/375466799.db2.gz HJWKJFRDUPEVBO-UWVGGRQHSA-N 1 0 274.286 2.615 50 0 CFAARO Cc1ccnc(N[C@H](C)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000095356162 375419084 /nfs/dbraw/zinc/41/90/84/375419084.db2.gz LMACWBDWOIPXQF-CQSZACIVSA-N 1 0 282.391 2.644 50 0 CFAARO Cc1cc(C)c2c(ncnc2NC[C@H]2CCCC[N@H+]2C)n1 ZINC000095357973 375419226 /nfs/dbraw/zinc/41/92/26/375419226.db2.gz SQODOFXJZWSWHG-CYBMUJFWSA-N 1 0 285.395 2.538 50 0 CFAARO O=c1cc(C[NH2+]Cc2cccnc2)[nH]c2c(Cl)cccc12 ZINC000095359822 375419422 /nfs/dbraw/zinc/41/94/22/375419422.db2.gz LKTLYAKUHOHUFI-UHFFFAOYSA-N 1 0 299.761 2.866 50 0 CFAARO CC(C)COc1cc(F)cc(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000095356702 375419483 /nfs/dbraw/zinc/41/94/83/375419483.db2.gz MJHJFKKPZWWRAO-UHFFFAOYSA-N 1 0 289.354 2.896 50 0 CFAARO CCc1[nH+]c(N)nc(N[C@@H](CC)c2nc(C)c[nH]2)c1C ZINC000095361005 375419493 /nfs/dbraw/zinc/41/94/93/375419493.db2.gz MFSRIPVBQFZMFD-NSHDSACASA-N 1 0 274.372 2.524 50 0 CFAARO CC(C)[N@@H+]1CC[C@H](Cn2sc3ccccc3c2=O)C1 ZINC000095359913 375419997 /nfs/dbraw/zinc/41/99/97/375419997.db2.gz WHBPJXUOBLNMEB-LBPRGKRZSA-N 1 0 276.405 2.793 50 0 CFAARO Cc1ccc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000095371605 375422589 /nfs/dbraw/zinc/42/25/89/375422589.db2.gz WVAYSVZCTSOUFG-QGZVFWFLSA-N 1 0 288.435 2.918 50 0 CFAARO CN(C(=O)C[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000095385675 375427427 /nfs/dbraw/zinc/42/74/27/375427427.db2.gz GPPAZFOBHJVZRO-OAHLLOKOSA-N 1 0 272.323 2.879 50 0 CFAARO Cc1ccc([C@H](CNc2nnc(C3CCC3)o2)[NH+](C)C)o1 ZINC000095390091 375428818 /nfs/dbraw/zinc/42/88/18/375428818.db2.gz DHIDCESAFFPUGE-LBPRGKRZSA-N 1 0 290.367 2.953 50 0 CFAARO Cc1ccc(CN(CC[NH+](C)C)c2ncc(Cl)cn2)o1 ZINC000095413844 375436015 /nfs/dbraw/zinc/43/60/15/375436015.db2.gz GOLBIFONXDGUNI-UHFFFAOYSA-N 1 0 294.786 2.600 50 0 CFAARO Cc1ccccc1[C@H](C)[NH2+]CCCO[C@H]1CCOC1 ZINC000095419465 375439566 /nfs/dbraw/zinc/43/95/66/375439566.db2.gz LBLKVCXDLNNUMJ-GJZGRUSLSA-N 1 0 263.381 2.841 50 0 CFAARO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCCOC2)cc1OC ZINC000095422080 375441123 /nfs/dbraw/zinc/44/11/23/375441123.db2.gz UZLZZMCBDAZXIX-WDEREUQCSA-N 1 0 283.343 2.673 50 0 CFAARO C[C@H](Cc1nc2ccccc2s1)[NH2+]Cc1ccnn1C ZINC000095420191 375441374 /nfs/dbraw/zinc/44/13/74/375441374.db2.gz ZLCKBVWMKJVVKI-LLVKDONJSA-N 1 0 286.404 2.751 50 0 CFAARO CN(C)c1nc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cs1 ZINC000095423562 375442347 /nfs/dbraw/zinc/44/23/47/375442347.db2.gz ZXUUFIUUILDXRW-NSHDSACASA-N 1 0 283.441 2.645 50 0 CFAARO CC(C)NC(=O)C[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC000095425779 375442687 /nfs/dbraw/zinc/44/26/87/375442687.db2.gz JDEQTOINDCOZEJ-JTQLQIEISA-N 1 0 286.778 2.872 50 0 CFAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000095423882 375442752 /nfs/dbraw/zinc/44/27/52/375442752.db2.gz LKNXMXOIHJXBOS-GXTWGEPZSA-N 1 0 290.432 2.824 50 0 CFAARO CN(C)c1nc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cs1 ZINC000095423563 375442834 /nfs/dbraw/zinc/44/28/34/375442834.db2.gz ZXUUFIUUILDXRW-LLVKDONJSA-N 1 0 283.441 2.645 50 0 CFAARO O=C(c1ccccc1)N1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000095423771 375442850 /nfs/dbraw/zinc/44/28/50/375442850.db2.gz IYRHWNJHABOECQ-MRXNPFEDSA-N 1 0 284.403 2.679 50 0 CFAARO CNC(=O)CC[N@@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC000095426347 375443524 /nfs/dbraw/zinc/44/35/24/375443524.db2.gz MUMVJEOVVMZBOW-NVXWUHKLSA-N 1 0 272.392 2.524 50 0 CFAARO O=C(c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000095434116 375448175 /nfs/dbraw/zinc/44/81/75/375448175.db2.gz QBSBLTOISHFFFC-DOTOQJQBSA-N 1 0 284.403 2.847 50 0 CFAARO Cc1c(C[NH2+]CCOc2ccc(Cl)cc2)cnn1C ZINC000095439951 375449378 /nfs/dbraw/zinc/44/93/78/375449378.db2.gz BWZKGHXIHNIUBR-UHFFFAOYSA-N 1 0 279.771 2.551 50 0 CFAARO Cc1cc(Cl)cc(C)c1C[NH2+]C[C@@H](C)[S@@](C)=O ZINC000095441234 375450863 /nfs/dbraw/zinc/45/08/63/375450863.db2.gz QBMGRLKZNANFFQ-DIFFPNOSSA-N 1 0 273.829 2.813 50 0 CFAARO Cc1n[nH]c(C)c1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000097159262 375531788 /nfs/dbraw/zinc/53/17/88/375531788.db2.gz SNVCCWMGLJLJAU-QGZVFWFLSA-N 1 0 298.434 2.781 50 0 CFAARO Cn1cc(C[NH2+]Cc2ccccc2F)c(-c2cccnc2)n1 ZINC000097159749 375534067 /nfs/dbraw/zinc/53/40/67/375534067.db2.gz XLMLZUBULXXRPE-UHFFFAOYSA-N 1 0 296.349 2.911 50 0 CFAARO Cc1noc(C)c1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200495 375536914 /nfs/dbraw/zinc/53/69/14/375536914.db2.gz DXEZVWAPKXQJPR-CQSZACIVSA-N 1 0 286.379 2.620 50 0 CFAARO CCCn1ncc(C[N@H+](C)CCC2CCOCC2)c1C ZINC000097173069 375537390 /nfs/dbraw/zinc/53/73/90/375537390.db2.gz GPBUXCOGGBPTIN-UHFFFAOYSA-N 1 0 279.428 2.850 50 0 CFAARO CC(C)C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1ccccn1 ZINC000096478688 375489196 /nfs/dbraw/zinc/48/91/96/375489196.db2.gz OIAKCPUYYUPIAR-KBMXLJTQSA-N 1 0 262.397 2.919 50 0 CFAARO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)CCn1cccn1)CO2 ZINC000097049779 375504263 /nfs/dbraw/zinc/50/42/63/375504263.db2.gz XDGYZBGJADNJDY-ZFWWWQNUSA-N 1 0 271.364 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277.364 2.595 50 0 CFAARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000097095366 375515243 /nfs/dbraw/zinc/51/52/43/375515243.db2.gz PPWORVYBTCTFMN-QWHCGFSZSA-N 1 0 258.365 2.761 50 0 CFAARO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000097096419 375516534 /nfs/dbraw/zinc/51/65/34/375516534.db2.gz QVJWLKXCBCVMEN-ZIAGYGMSSA-N 1 0 264.417 2.911 50 0 CFAARO COCC[NH+]1CCN(C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000097103890 375519576 /nfs/dbraw/zinc/51/95/76/375519576.db2.gz NJVDLBNVNDXJAX-AWEZNQCLSA-N 1 0 296.842 2.708 50 0 CFAARO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccccn2)n1 ZINC000097236809 375545120 /nfs/dbraw/zinc/54/51/20/375545120.db2.gz JFROCVSSJOJDLZ-LBPRGKRZSA-N 1 0 257.337 2.684 50 0 CFAARO CCn1nccc1C[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000097142213 375528532 /nfs/dbraw/zinc/52/85/32/375528532.db2.gz VMKJWHQFIRIHFY-WBVHZDCISA-N 1 0 285.391 2.913 50 0 CFAARO CCn1nccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000097142215 375528681 /nfs/dbraw/zinc/52/86/81/375528681.db2.gz 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RVOPIOGLGMVDNS-UHFFFAOYSA-N 1 0 256.353 2.637 50 0 CFAARO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc3nonc32)on1 ZINC000097610249 375572989 /nfs/dbraw/zinc/57/29/89/375572989.db2.gz AICMHRINUCOUTO-ZDUSSCGKSA-N 1 0 284.319 2.856 50 0 CFAARO C[C@@H](c1ccc(-c2cc(CO)ccn2)cc1)[NH+](C)C ZINC000097757788 375584471 /nfs/dbraw/zinc/58/44/71/375584471.db2.gz PDFVFQSBAFQIOY-LBPRGKRZSA-N 1 0 256.349 2.864 50 0 CFAARO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc(OC)c1 ZINC000102833562 375693972 /nfs/dbraw/zinc/69/39/72/375693972.db2.gz OCCXWEDXHRJJLC-HALDLXJZSA-N 1 0 291.391 2.561 50 0 CFAARO CC(C)[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000116146302 376165629 /nfs/dbraw/zinc/16/56/29/376165629.db2.gz DTYIRSUMIHQFNX-UHFFFAOYSA-N 1 0 272.190 2.691 50 0 CFAARO CC(C)N(C(=O)C[C@H]([NH3+])c1ccccc1)C1CCC1 ZINC000119247625 376378588 /nfs/dbraw/zinc/37/85/88/376378588.db2.gz RZYSVQNQOHMGOQ-HNNXBMFYSA-N 1 0 260.381 2.866 50 0 CFAARO COC[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000127061772 377261992 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C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000134042324 377978348 /nfs/dbraw/zinc/97/83/48/377978348.db2.gz FNAOCPGAYIGZIK-OAHLLOKOSA-N 1 0 297.402 2.516 50 0 CFAARO Cc1ccc(C[NH2+]Cc2cnc3n[nH]c(C)c3c2)s1 ZINC000048260477 412899571 /nfs/dbraw/zinc/89/95/71/412899571.db2.gz XTEAFEXDZIFNNP-UHFFFAOYSA-N 1 0 272.377 2.926 50 0 CFAARO CCc1nc(C[N@H+]([C@@H](C)CO)C2CCCC2)cs1 ZINC000170607232 379127539 /nfs/dbraw/zinc/12/75/39/379127539.db2.gz DTUSIRTVCUOTNJ-NSHDSACASA-N 1 0 268.426 2.831 50 0 CFAARO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCCC(C)(C)CC1 ZINC000170639831 379133249 /nfs/dbraw/zinc/13/32/49/379133249.db2.gz XRBGRPYEYKHOOS-ZDUSSCGKSA-N 1 0 266.429 2.946 50 0 CFAARO [NH3+][C@@H](CCC(=O)N1CCOc2ccccc21)c1ccccc1 ZINC000169978911 379113623 /nfs/dbraw/zinc/11/36/23/379113623.db2.gz UYYNEIXJEYWEQO-HNNXBMFYSA-N 1 0 296.370 2.892 50 0 CFAARO CCCC[N@H+](C)CC(=O)N(C)Cc1cccc(F)c1 ZINC000048614718 412911004 /nfs/dbraw/zinc/91/10/04/412911004.db2.gz FMCFCBWIFPYPQC-UHFFFAOYSA-N 1 0 266.360 2.516 50 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261.365 2.568 50 0 CFAARO O=C1CCCN1CCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129188403 296318309 /nfs/dbraw/zinc/31/83/09/296318309.db2.gz YNDCTXDGZJJOFZ-RYUDHWBXSA-N 1 0 292.345 2.710 50 0 CFAARO COCC[N@@H+]1CC[C@H](CNc2nc3ccccc3s2)C1 ZINC000049441653 412944676 /nfs/dbraw/zinc/94/46/76/412944676.db2.gz VYUWRDGOHYTCAO-GFCCVEGCSA-N 1 0 291.420 2.677 50 0 CFAARO COc1ccc(C[C@@H](C)[NH2+]C2CCC(O)CC2)cc1OC ZINC000000221668 169579532 /nfs/dbraw/zinc/57/95/32/169579532.db2.gz XSFILMARCGIZSZ-LRVUVFPRSA-N 1 0 293.407 2.528 50 0 CFAARO CC[C@H](NC(=O)CC[NH+]1CCCCC1)c1ccc(C)cn1 ZINC000299794978 382047473 /nfs/dbraw/zinc/04/74/73/382047473.db2.gz KSWVEJWBWZFESP-HNNXBMFYSA-N 1 0 289.423 2.833 50 0 CFAARO Cc1cc(NC(=O)NC[C@H]2CCCCC[NH2+]2)ccc1F ZINC000299786614 382047558 /nfs/dbraw/zinc/04/75/58/382047558.db2.gz WTPCRHXUYGVYGI-CYBMUJFWSA-N 1 0 279.359 2.788 50 0 CFAARO Cc1ccc(SCC[N@@H+](C)CCn2cccn2)cc1 ZINC000299798078 382050673 /nfs/dbraw/zinc/05/06/73/382050673.db2.gz UTACJDHFEVAFCG-UHFFFAOYSA-N 1 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Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000229569185 382852396 /nfs/dbraw/zinc/85/23/96/382852396.db2.gz YCGKNFONOVVLJH-BFYDXBDKSA-N 1 0 287.407 2.638 50 0 CFAARO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000233847968 382872300 /nfs/dbraw/zinc/87/23/00/382872300.db2.gz FCSGEEWUCRFXNN-CABCVRRESA-N 1 0 265.422 2.943 50 0 CFAARO C/C(=C/C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1C(F)(F)F ZINC000236631380 382900158 /nfs/dbraw/zinc/90/01/58/382900158.db2.gz NYXVKZPXJWKDBX-IEHMKBBKSA-N 1 0 298.308 2.668 50 0 CFAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C)c(F)cc1Cl ZINC000237121648 382950088 /nfs/dbraw/zinc/95/00/88/382950088.db2.gz AMWIVOYQIIKVLL-JTQLQIEISA-N 1 0 284.762 2.612 50 0 CFAARO Cc1ccc2cccc(C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])c2n1 ZINC000237426304 382959791 /nfs/dbraw/zinc/95/97/91/382959791.db2.gz OTSRTFFSCZDPQB-WBMJQRKESA-N 1 0 297.402 2.743 50 0 CFAARO C[C@H](C[NH3+])CC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000237427529 382959901 /nfs/dbraw/zinc/95/99/01/382959901.db2.gz GTXYXVGVZMHMPQ-YWPYICTPSA-N 1 0 278.371 2.720 50 0 CFAARO COc1ccc(NC(=O)C23CCC[NH+]2CCC3)c(C)c1 ZINC000242047998 382984792 /nfs/dbraw/zinc/98/47/92/382984792.db2.gz VRXBPDPYHWXNHR-UHFFFAOYSA-N 1 0 274.364 2.571 50 0 CFAARO Cc1csc2c1ncnc2N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000241719851 382984958 /nfs/dbraw/zinc/98/49/58/382984958.db2.gz QQCPETAXBOJKML-NEPJUHHUSA-N 1 0 288.420 2.673 50 0 CFAARO Cc1nc(CC[N@H+]2CCC[C@H](c3nccn3C)C2)cs1 ZINC000244626524 382988987 /nfs/dbraw/zinc/98/89/87/382988987.db2.gz FNIKFRFOIOSTRV-ZDUSSCGKSA-N 1 0 290.436 2.607 50 0 CFAARO Cc1nc(CC[N@H+]2CCC[C@@H](c3nccn3C)C2)cs1 ZINC000244626523 382989271 /nfs/dbraw/zinc/98/92/71/382989271.db2.gz FNIKFRFOIOSTRV-CYBMUJFWSA-N 1 0 290.436 2.607 50 0 CFAARO O[C@]1(c2ccccc2)CC[N@H+](CCCc2ccco2)C1 ZINC000244602108 382989851 /nfs/dbraw/zinc/98/98/51/382989851.db2.gz DXPQVKYKVPRUCH-QGZVFWFLSA-N 1 0 271.360 2.806 50 0 CFAARO C[C@H](C(=O)Nc1ccccn1)[N@H+](C)C1Cc2ccccc2C1 ZINC000244734288 382990668 /nfs/dbraw/zinc/99/06/68/382990668.db2.gz NCTWTSNKKSJGBV-CYBMUJFWSA-N 1 0 295.386 2.508 50 0 CFAARO CN(Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCCC[N@@H+]1C ZINC000244764110 382990904 /nfs/dbraw/zinc/99/09/04/382990904.db2.gz PBLPUNFLCVDURF-KRWDZBQOSA-N 1 0 298.434 2.993 50 0 CFAARO CNc1nc(CN(C)Cc2ccsc2)cs1 ZINC000244748626 382991312 /nfs/dbraw/zinc/99/13/12/382991312.db2.gz OLJOQPOXQVIOOM-UHFFFAOYSA-N 1 0 253.396 2.878 50 0 CFAARO COc1ccc(C[N@H+](C)CCC(C)(C)O)c2cccnc12 ZINC000244795355 382993458 /nfs/dbraw/zinc/99/34/58/382993458.db2.gz REVABLSUKYEXRC-UHFFFAOYSA-N 1 0 288.391 2.836 50 0 CFAARO C[N@H+](CCn1ccc2ccccc21)C[C@@H]1CCOC1 ZINC000244873003 382994365 /nfs/dbraw/zinc/99/43/65/382994365.db2.gz WIFUAAFMVFCXGE-AWEZNQCLSA-N 1 0 258.365 2.610 50 0 CFAARO C[N@@H+](Cc1cc(-c2ccccn2)no1)C[C@H]1CCCOC1 ZINC000244900300 382995695 /nfs/dbraw/zinc/99/56/95/382995695.db2.gz ZZRZVUOMBYYBHG-CYBMUJFWSA-N 1 0 287.363 2.595 50 0 CFAARO C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1C)c1cccs1 ZINC000245382099 382997713 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Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000247440286 383172052 /nfs/dbraw/zinc/17/20/52/383172052.db2.gz WRMIKHABLSAKSM-JHNDHUHGSA-N 1 0 286.419 2.684 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC1CCCC1 ZINC000248133746 383213227 /nfs/dbraw/zinc/21/32/27/383213227.db2.gz NXHJCRHOEQIQJR-LSDHHAIUSA-N 1 0 264.413 2.652 50 0 CFAARO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000247754987 383194869 /nfs/dbraw/zinc/19/48/69/383194869.db2.gz VUFDWMHLJOXADP-HOCLYGCPSA-N 1 0 272.392 2.798 50 0 CFAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CCc1ccccc1 ZINC000248079619 383210328 /nfs/dbraw/zinc/21/03/28/383210328.db2.gz ABJHTZWHILESBO-DLBZAZTESA-N 1 0 286.419 2.704 50 0 CFAARO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000248450378 383245038 /nfs/dbraw/zinc/24/50/38/383245038.db2.gz FOYAKIPCQDYRNE-RDBSUJKOSA-N 1 0 262.401 2.778 50 0 CFAARO OC[C@@H]([C@H]([NH2+]Cc1ccccc1F)C1CC1)C1CC1 ZINC000449514787 383349646 /nfs/dbraw/zinc/34/96/46/383349646.db2.gz 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ZINC000004696214 170000169 /nfs/dbraw/zinc/00/01/69/170000169.db2.gz LTOUUFZNDSHXAZ-FMIVXFBMSA-N 1 0 290.407 2.557 50 0 CFAARO COc1ccc2ccccc2c1C[NH2+]C(C)(C)CO ZINC000004695080 170000263 /nfs/dbraw/zinc/00/02/63/170000263.db2.gz BYEROMOAMNCUKG-UHFFFAOYSA-N 1 0 259.349 2.709 50 0 CFAARO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC(C)CC1 ZINC000004718019 170004616 /nfs/dbraw/zinc/00/46/16/170004616.db2.gz IRPVWJATQJJTSH-AWEZNQCLSA-N 1 0 272.392 2.696 50 0 CFAARO CC[NH+](CC)CCOc1ccc2ccc(=O)oc2c1 ZINC000004721007 170004920 /nfs/dbraw/zinc/00/49/20/170004920.db2.gz BKPKOUGBWOHARK-UHFFFAOYSA-N 1 0 261.321 2.514 50 0 CFAARO O=C([C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)N1CCCC1 ZINC000004745038 170010532 /nfs/dbraw/zinc/01/05/32/170010532.db2.gz DUCAGEQAEQJQCQ-HNNXBMFYSA-N 1 0 290.382 2.660 50 0 CFAARO COc1ccc(C(=O)O[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004785707 170016661 /nfs/dbraw/zinc/01/66/61/170016661.db2.gz DXLIAGZRNHJCQN-TYNCELHUSA-N 1 0 277.364 2.581 50 0 CFAARO C[C@H](C[NH2+]C[C@@H]1CCCO1)COc1ccc(F)cc1 ZINC000004806335 170020117 /nfs/dbraw/zinc/02/01/17/170020117.db2.gz UVFBAXLYDGCZTG-DOMZBBRYSA-N 1 0 267.344 2.609 50 0 CFAARO Cc1ccc(OCC[NH2+]C[C@H](C)O)c(Cc2ccccc2)c1 ZINC000004832069 170025895 /nfs/dbraw/zinc/02/58/95/170025895.db2.gz FCQDLKIFZHHNGS-INIZCTEOSA-N 1 0 299.414 2.935 50 0 CFAARO CC(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000004833995 170026664 /nfs/dbraw/zinc/02/66/64/170026664.db2.gz CKXVUQMSIUHNFE-JTQLQIEISA-N 1 0 278.179 2.731 50 0 CFAARO FC(F)(F)c1cccc(OCC[NH2+]C[C@@H]2CCCO2)c1 ZINC000004841804 170028285 /nfs/dbraw/zinc/02/82/85/170028285.db2.gz JUVXKBVGHYDEQN-ZDUSSCGKSA-N 1 0 289.297 2.853 50 0 CFAARO O=C(NCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000004891498 170036908 /nfs/dbraw/zinc/03/69/08/170036908.db2.gz TUMNDNXJUNXGEL-UHFFFAOYSA-N 1 0 266.772 2.556 50 0 CFAARO Cc1cc(OC[C@H](O)C[NH2+]C(C)C)ccc1C(C)C ZINC000004950843 170044911 /nfs/dbraw/zinc/04/49/11/170044911.db2.gz BNVPASVLZMPAIV-CQSZACIVSA-N 1 0 265.397 2.856 50 0 CFAARO COC(=O)c1ccccc1OCC[NH+]1CCCCCC1 ZINC000004986087 170049524 /nfs/dbraw/zinc/04/95/24/170049524.db2.gz PYMSPLHKOATBMB-UHFFFAOYSA-N 1 0 277.364 2.728 50 0 CFAARO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000005014214 170055723 /nfs/dbraw/zinc/05/57/23/170055723.db2.gz JDSHDPXJSYUYKA-ZIAGYGMSSA-N 1 0 260.381 2.738 50 0 CFAARO COc1cccc(OC)c1OCC[NH+]1CCCCC1 ZINC000005023409 170056904 /nfs/dbraw/zinc/05/69/04/170056904.db2.gz WGJCQHVXGURWIA-UHFFFAOYSA-N 1 0 265.353 2.569 50 0 CFAARO CN1c2ccccc2[C@]2(CC[NH2+][C@@H]2c2ccccc2)C1=O ZINC000005248240 170079238 /nfs/dbraw/zinc/07/92/38/170079238.db2.gz MFTNZVMUWPSAGS-AEFFLSMTSA-N 1 0 278.355 2.635 50 0 CFAARO CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+](CC)CC ZINC000005909253 170153491 /nfs/dbraw/zinc/15/34/91/170153491.db2.gz IFKHXXQAKSJIOZ-ZDUSSCGKSA-N 1 0 292.379 2.517 50 0 CFAARO C[C@@H](O)C[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000005912741 170154621 /nfs/dbraw/zinc/15/46/21/170154621.db2.gz USIUCIGVPYRFLF-CYBMUJFWSA-N 1 0 289.350 2.875 50 0 CFAARO COc1cccc(C[C@H]([NH3+])c2cccc(OC)c2)c1 ZINC000006485024 170205433 /nfs/dbraw/zinc/20/54/33/170205433.db2.gz AZKRQENWCLQWEE-INIZCTEOSA-N 1 0 257.333 2.946 50 0 CFAARO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2 ZINC000006645714 170221909 /nfs/dbraw/zinc/22/19/09/170221909.db2.gz BDWOJIBKVAHWJJ-ZDUSSCGKSA-N 1 0 280.327 2.987 50 0 CFAARO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000006651138 170222286 /nfs/dbraw/zinc/22/22/86/170222286.db2.gz QNHORKKDTZFNNY-STQMWFEESA-N 1 0 262.397 2.800 50 0 CFAARO CCOC(=O)C1CC[NH+](CCOc2ccc(C)cc2)CC1 ZINC000006702605 170229898 /nfs/dbraw/zinc/22/98/98/170229898.db2.gz FDTCPRAUPHSTJX-UHFFFAOYSA-N 1 0 291.391 2.649 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccccc2OCC)CC1 ZINC000006726434 170233408 /nfs/dbraw/zinc/23/34/08/170233408.db2.gz ZFQKTXMGHIPBJA-UHFFFAOYSA-N 1 0 291.395 2.645 50 0 CFAARO CCC[NH+]1CCN(C(=O)Nc2ccccc2C)CC1 ZINC000006726970 170233673 /nfs/dbraw/zinc/23/36/73/170233673.db2.gz YUFDGQYSFSMEGD-UHFFFAOYSA-N 1 0 261.369 2.555 50 0 CFAARO C[NH+]1CCC(NC(=O)Nc2ccccc2Cl)CC1 ZINC000006730717 170235217 /nfs/dbraw/zinc/23/52/17/170235217.db2.gz OBIQDQGZXTTWHV-UHFFFAOYSA-N 1 0 267.760 2.556 50 0 CFAARO Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1C ZINC000006730657 170235314 /nfs/dbraw/zinc/23/53/14/170235314.db2.gz ZSOHJHUUQOSOQJ-LBPRGKRZSA-N 1 0 260.381 2.974 50 0 CFAARO Cc1ccc(COc2ccccc2C[NH2+]CCO)cc1 ZINC000006743005 170238306 /nfs/dbraw/zinc/23/83/06/170238306.db2.gz VKSQKVPPHZKMMF-UHFFFAOYSA-N 1 0 271.360 2.656 50 0 CFAARO C[NH+](C)C1(CNC(=O)Cc2cccs2)CCCCC1 ZINC000007003084 170261588 /nfs/dbraw/zinc/26/15/88/170261588.db2.gz LAMIJSLYNZMWLK-UHFFFAOYSA-N 1 0 280.437 2.671 50 0 CFAARO C[NH+](C)C[C@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000007817784 170304226 /nfs/dbraw/zinc/30/42/26/170304226.db2.gz BQQGLCVBDXELSN-INIZCTEOSA-N 1 0 286.350 2.858 50 0 CFAARO COC(=O)Nc1cn(-c2ccc(Cl)cc2)n[o+]1 ZINC000008205410 170324319 /nfs/dbraw/zinc/32/43/19/170324319.db2.gz OJPGNBLEKYCLBE-UHFFFAOYSA-O 1 0 254.653 2.578 50 0 CFAARO CCOc1ccc2ccccc2c1C[NH2+]C[C@@H](C)O ZINC000008325129 170331441 /nfs/dbraw/zinc/33/14/41/170331441.db2.gz CFFVMLOSUVCUGV-GFCCVEGCSA-N 1 0 259.349 2.709 50 0 CFAARO CCOc1ccc2ccccc2c1C[NH2+]CCOC ZINC000008325114 170331504 /nfs/dbraw/zinc/33/15/04/170331504.db2.gz ZKADBVKEMSZAHS-UHFFFAOYSA-N 1 0 259.349 2.975 50 0 CFAARO Cn1c2ccccc2nc1C[C@H]([NH3+])c1ccccc1 ZINC000009115519 170364010 /nfs/dbraw/zinc/36/40/10/170364010.db2.gz NTGWKDIUBUPPQE-ZDUSSCGKSA-N 1 0 251.333 2.816 50 0 CFAARO Cc1csc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc(=O)n12 ZINC000009254068 170368480 /nfs/dbraw/zinc/36/84/80/170368480.db2.gz ZFPOGZFWMLFWTO-QWRGUYRKSA-N 1 0 291.420 2.542 50 0 CFAARO Cc1ccn2c(=O)cc(C[NH+]3CCCCCCC3)nc2c1 ZINC000009254075 170368592 /nfs/dbraw/zinc/36/85/92/170368592.db2.gz WCKRUHSRDVMBPJ-UHFFFAOYSA-N 1 0 285.391 2.769 50 0 CFAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1)c1ccccc1 ZINC000010017764 170395185 /nfs/dbraw/zinc/39/51/85/170395185.db2.gz FXOZLOBCQVZGPD-INIZCTEOSA-N 1 0 268.360 2.719 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1)c1ccccc1 ZINC000010017765 170395202 /nfs/dbraw/zinc/39/52/02/170395202.db2.gz FXOZLOBCQVZGPD-MRXNPFEDSA-N 1 0 268.360 2.719 50 0 CFAARO C[NH+](C)[C@H](CNC(=O)c1cccs1)c1ccccc1 ZINC000010017751 170395446 /nfs/dbraw/zinc/39/54/46/170395446.db2.gz MFVLWLWEUAYIRE-CYBMUJFWSA-N 1 0 274.389 2.781 50 0 CFAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]CC1CC1 ZINC000012198757 170473025 /nfs/dbraw/zinc/47/30/25/170473025.db2.gz KIJDHRXAAAJDEQ-NSHDSACASA-N 1 0 268.364 2.908 50 0 CFAARO Cc1ccc(COC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000016579126 170703012 /nfs/dbraw/zinc/70/30/12/170703012.db2.gz SPQIMZWWSLLQAT-KRWDZBQOSA-N 1 0 277.408 2.604 50 0 CFAARO COc1ccc(OCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000020118011 170998130 /nfs/dbraw/zinc/99/81/30/170998130.db2.gz JVWRRBCVSDUHFD-ZIAGYGMSSA-N 1 0 279.380 2.573 50 0 CFAARO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cccnc1 ZINC000020137867 171025080 /nfs/dbraw/zinc/02/50/80/171025080.db2.gz AKOJXKXDJZTPTK-GXTWGEPZSA-N 1 0 270.332 2.572 50 0 CFAARO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccncc1 ZINC000020137862 171025571 /nfs/dbraw/zinc/02/55/71/171025571.db2.gz OVHIQOWXRQVDNB-JSGCOSHPSA-N 1 0 270.332 2.572 50 0 CFAARO Cc1nc(CN[C@@H](C[NH+](C)C)c2ccccc2)cs1 ZINC000020253243 171106231 /nfs/dbraw/zinc/10/62/31/171106231.db2.gz IHQMBTMHFYTUBP-HNNXBMFYSA-N 1 0 275.421 2.844 50 0 CFAARO Cc1ccc(C(C)(C)C)c(OCCN2CC[NH2+]CC2)c1 ZINC000020272503 171127899 /nfs/dbraw/zinc/12/78/99/171127899.db2.gz MPKJIYKPIFBDSS-UHFFFAOYSA-N 1 0 276.424 2.577 50 0 CFAARO c1coc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000020294350 171134730 /nfs/dbraw/zinc/13/47/30/171134730.db2.gz WCMGYVUMSAZKQX-GFCCVEGCSA-N 1 0 273.336 2.920 50 0 CFAARO Cc1nc[nH]c1CN[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000020920707 171280005 /nfs/dbraw/zinc/28/00/05/171280005.db2.gz KFZOIRWSZBUNCG-MRXNPFEDSA-N 1 0 290.455 2.852 50 0 CFAARO COc1c(Cl)cc(C[NH2+]C(C)(C)CO)cc1Cl ZINC000020928272 171280459 /nfs/dbraw/zinc/28/04/59/171280459.db2.gz FKLIPTNMPCTHJP-UHFFFAOYSA-N 1 0 278.179 2.863 50 0 CFAARO CCCOc1ccc(C[NH2+][C@H](CC)CO)cc1OCC ZINC000020933244 171280840 /nfs/dbraw/zinc/28/08/40/171280840.db2.gz WZNCSQCCQOLHSP-CQSZACIVSA-N 1 0 281.396 2.735 50 0 CFAARO COc1cc(Br)cc(C[NH2+]C(C)C)c1OC ZINC000020933921 171280843 /nfs/dbraw/zinc/28/08/43/171280843.db2.gz OAFAEZJALMGMSU-UHFFFAOYSA-N 1 0 288.185 2.964 50 0 CFAARO CCCOc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000020931595 171281030 /nfs/dbraw/zinc/28/10/30/171281030.db2.gz SFLPINDTZJKECS-UHFFFAOYSA-N 1 0 287.787 2.873 50 0 CFAARO O=C(c1ccco1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000021170683 171298947 /nfs/dbraw/zinc/29/89/47/171298947.db2.gz YXYPUVCDCZWEBL-CQSZACIVSA-N 1 0 276.380 2.760 50 0 CFAARO C[C@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021961665 171342641 /nfs/dbraw/zinc/34/26/41/171342641.db2.gz YLAUNYJPFWJQNB-WMLDXEAASA-N 1 0 286.419 2.945 50 0 CFAARO CN(C)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022064319 171351744 /nfs/dbraw/zinc/35/17/44/171351744.db2.gz OMMZHBDJIRWLHC-UHFFFAOYSA-N 1 0 294.398 2.947 50 0 CFAARO COc1cc(C)c(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C)cc1C ZINC000022078350 171352632 /nfs/dbraw/zinc/35/26/32/171352632.db2.gz NDYMOTGQDAHZLB-DOTOQJQBSA-N 1 0 288.435 2.981 50 0 CFAARO CC(C)[NH2+]CCCCCCN1C(=O)c2ccccc2C1=O ZINC000022203933 171372476 /nfs/dbraw/zinc/37/24/76/171372476.db2.gz CFKNETRHEDLPLJ-UHFFFAOYSA-N 1 0 288.391 2.841 50 0 CFAARO CC(C)OC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccccc1Cl ZINC000022204772 171372546 /nfs/dbraw/zinc/37/25/46/171372546.db2.gz MHTYOLYFVGHNQI-DGCLKSJQSA-N 1 0 267.756 2.942 50 0 CFAARO [NH3+][C@@H](Cn1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000022565256 171391787 /nfs/dbraw/zinc/39/17/87/171391787.db2.gz RWIKDCPUOUODDK-NSHDSACASA-N 1 0 255.243 2.602 50 0 CFAARO c1csc(-c2nnc([C@@H]3CCC[NH2+]C3)s2)c1 ZINC000026424295 171483801 /nfs/dbraw/zinc/48/38/01/171483801.db2.gz XSMUCURBBUOSLP-MRVPVSSYSA-N 1 0 251.380 2.734 50 0 CFAARO c1csc(-c2n[nH]cc2C[NH2+]CCc2ccccn2)c1 ZINC000035052439 171953203 /nfs/dbraw/zinc/95/32/03/171953203.db2.gz FBLFSLROKODKKK-UHFFFAOYSA-N 1 0 284.388 2.866 50 0 CFAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccnc2)o1 ZINC000035255528 172085729 /nfs/dbraw/zinc/08/57/29/172085729.db2.gz GDHNUXUXODHHMA-UHFFFAOYSA-N 1 0 268.320 2.663 50 0 CFAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc2ccccc2o1 ZINC000035275293 172095053 /nfs/dbraw/zinc/09/50/53/172095053.db2.gz ZHYVUKDRJZBBRY-LBPRGKRZSA-N 1 0 255.321 2.808 50 0 CFAARO C[NH+](C)Cc1c[nH]c2c1cccc2Br ZINC000035635669 172321022 /nfs/dbraw/zinc/32/10/22/172321022.db2.gz OPJHXIKHFCNNRW-UHFFFAOYSA-N 1 0 253.143 2.992 50 0 CFAARO C[C@@H]1CCCCN1CC[N@H+](C)C1CCSCC1 ZINC000065529262 287269117 /nfs/dbraw/zinc/26/91/17/287269117.db2.gz ICMMGBKFYNBOGC-CYBMUJFWSA-N 1 0 256.459 2.688 50 0 CFAARO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2)C1 ZINC000037255546 173066653 /nfs/dbraw/zinc/06/66/53/173066653.db2.gz RBZJECFBVRYYAZ-RISCZKNCSA-N 1 0 264.344 2.933 50 0 CFAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000037304896 173109960 /nfs/dbraw/zinc/10/99/60/173109960.db2.gz GSNVBSGWYXQCLV-AWEZNQCLSA-N 1 0 287.411 2.539 50 0 CFAARO CCCC[C@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766382 173695055 /nfs/dbraw/zinc/69/50/55/173695055.db2.gz LOTUEVOINOULMC-HNNXBMFYSA-N 1 0 275.396 2.743 50 0 CFAARO CCCCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038049210 174060040 /nfs/dbraw/zinc/06/00/40/174060040.db2.gz ABANJWRFADNKTM-HZPDHXFCSA-N 1 0 290.407 2.865 50 0 CFAARO CC1CC[NH+](CCNC(=O)c2ccc(F)cc2Cl)CC1 ZINC000040108063 174192001 /nfs/dbraw/zinc/19/20/01/174192001.db2.gz QZMOOXYMSKRKHO-UHFFFAOYSA-N 1 0 298.789 2.941 50 0 CFAARO COc1ccc([C@H]2[NH2+]CC[C@]23c2ccccc2NC3=O)cc1 ZINC000040312590 174231749 /nfs/dbraw/zinc/23/17/49/174231749.db2.gz NGFAHQNBKATQCJ-AEFFLSMTSA-N 1 0 294.354 2.620 50 0 CFAARO CCC(C)(C)[NH2+]CC(=O)NCCCc1ccccc1 ZINC000040461023 174270558 /nfs/dbraw/zinc/27/05/58/174270558.db2.gz QUQTXLDGRRSUJB-UHFFFAOYSA-N 1 0 262.397 2.514 50 0 CFAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccsc1 ZINC000040465782 174274967 /nfs/dbraw/zinc/27/49/67/174274967.db2.gz AETXOHWYLCBCSU-GFCCVEGCSA-N 1 0 266.410 2.581 50 0 CFAARO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)c(C)o1 ZINC000040480772 174284857 /nfs/dbraw/zinc/28/48/57/174284857.db2.gz CZIWQWGHSYLNAE-UHFFFAOYSA-N 1 0 264.369 2.502 50 0 CFAARO COC(=O)Nc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000040540232 174321970 /nfs/dbraw/zinc/32/19/70/174321970.db2.gz PGXPCHPAOGJPFS-UHFFFAOYSA-N 1 0 271.320 2.550 50 0 CFAARO C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000040571751 174339049 /nfs/dbraw/zinc/33/90/49/174339049.db2.gz RRNDUQFEKZZHHV-UHFFFAOYSA-N 1 0 251.127 2.717 50 0 CFAARO CCCOc1ccc(Cl)cc1C[NH2+]C[C@@H](C)O ZINC000040743861 174391473 /nfs/dbraw/zinc/39/14/73/174391473.db2.gz DILXDYQBEBCQJO-SNVBAGLBSA-N 1 0 257.761 2.599 50 0 CFAARO CC(C)c1nc(CC(=O)NC[C@@H](C(C)C)[NH+](C)C)cs1 ZINC000042879357 174901630 /nfs/dbraw/zinc/90/16/30/174901630.db2.gz ZPOMZALGOAKOHE-ZDUSSCGKSA-N 1 0 297.468 2.511 50 0 CFAARO O[C@H](C[NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1F ZINC000044353104 175166762 /nfs/dbraw/zinc/16/67/62/175166762.db2.gz VJNAHOHVQOVNKC-XHDPSFHLSA-N 1 0 267.319 2.944 50 0 CFAARO O[C@@H](C[NH2+]C[C@@H]1CC=CCC1)c1ccc(F)cc1F ZINC000044353107 175166900 /nfs/dbraw/zinc/16/69/00/175166900.db2.gz VJNAHOHVQOVNKC-ABAIWWIYSA-N 1 0 267.319 2.944 50 0 CFAARO Cc1ccc2oc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000044491591 175180360 /nfs/dbraw/zinc/18/03/60/175180360.db2.gz AAFDSRNPLQHMII-ZDUSSCGKSA-N 1 0 272.348 2.613 50 0 CFAARO CC(C)Oc1ccccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044686163 175231961 /nfs/dbraw/zinc/23/19/61/175231961.db2.gz KVEWFDNFYPNWQL-OAHLLOKOSA-N 1 0 274.408 2.800 50 0 CFAARO CCC[NH+]1CCC(NC(=O)CCc2ccc(C)cc2)CC1 ZINC000044891674 175272668 /nfs/dbraw/zinc/27/26/68/175272668.db2.gz GPSPSLKFJTYGHN-UHFFFAOYSA-N 1 0 288.435 2.918 50 0 CFAARO CC(C)C[C@@H](C)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000045769756 175383589 /nfs/dbraw/zinc/38/35/89/175383589.db2.gz PWEHIKPFADXMAN-CYBMUJFWSA-N 1 0 288.391 2.649 50 0 CFAARO CCn1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)n1 ZINC000045944816 175387448 /nfs/dbraw/zinc/38/74/48/175387448.db2.gz KENCFRPPISXUTH-UHFFFAOYSA-N 1 0 258.369 2.853 50 0 CFAARO CN(C(=O)CCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000046467807 175397112 /nfs/dbraw/zinc/39/71/12/175397112.db2.gz SPTBILDIPNARLK-UHFFFAOYSA-N 1 0 294.826 2.825 50 0 CFAARO Cc1cccc(CC(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000052126919 175533035 /nfs/dbraw/zinc/53/30/35/175533035.db2.gz PIAHFZQSVTYHKT-UHFFFAOYSA-N 1 0 282.387 2.525 50 0 CFAARO CCN(CC[NH+](C)C)Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055252368 175574647 /nfs/dbraw/zinc/57/46/47/175574647.db2.gz QNPLBISDSCKIQA-UHFFFAOYSA-N 1 0 298.434 2.836 50 0 CFAARO CCC[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055402228 175578003 /nfs/dbraw/zinc/57/80/03/175578003.db2.gz XKXLCZVUMFNFAB-UHFFFAOYSA-N 1 0 262.401 2.983 50 0 CFAARO [NH3+]CCc1cc(N[C@H](c2ccco2)c2ccccc2)ncn1 ZINC000067695218 175785522 /nfs/dbraw/zinc/78/55/22/175785522.db2.gz TVQKOHFQDIKCNJ-KRWDZBQOSA-N 1 0 294.358 2.772 50 0 CFAARO CC(C)Cc1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000067895213 175800591 /nfs/dbraw/zinc/80/05/91/175800591.db2.gz ALGDEESUOWHLRP-UHFFFAOYSA-N 1 0 288.435 2.957 50 0 CFAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000069779963 175853544 /nfs/dbraw/zinc/85/35/44/175853544.db2.gz YCGKNFONOVVLJH-INMHGKMJSA-N 1 0 287.407 2.638 50 0 CFAARO O=C(c1cccc(F)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000069842653 175857202 /nfs/dbraw/zinc/85/72/02/175857202.db2.gz XDHKFQKOKGBTTC-MRXNPFEDSA-N 1 0 290.382 2.916 50 0 CFAARO C[C@H]([NH2+]CCOc1ccc(F)cc1)[C@H](C)n1cccn1 ZINC000069967236 175864720 /nfs/dbraw/zinc/86/47/20/175864720.db2.gz QTRZZYISNAYMSE-STQMWFEESA-N 1 0 277.343 2.640 50 0 CFAARO COc1ccc(Cl)cc1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070172582 175877375 /nfs/dbraw/zinc/87/73/75/175877375.db2.gz RNFGUROOHBMMGJ-MNOVXSKESA-N 1 0 296.798 2.548 50 0 CFAARO CC(C)N1CC[C@@H]([NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070299376 175886632 /nfs/dbraw/zinc/88/66/32/175886632.db2.gz ICBHPSKIKLGCED-OLZOCXBDSA-N 1 0 256.752 2.962 50 0 CFAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000071144024 176041461 /nfs/dbraw/zinc/04/14/61/176041461.db2.gz ZUFUASUVNUZTEY-SECBINFHSA-N 1 0 287.190 2.675 50 0 CFAARO Cc1nn(C(C)C)cc1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000071278731 176108427 /nfs/dbraw/zinc/10/84/27/176108427.db2.gz SLKVUYPWDOIAJM-CYBMUJFWSA-N 1 0 271.364 2.702 50 0 CFAARO CN(C)C(=O)c1ccccc1-c1cccc2c1CC[NH2+]C2 ZINC000071751230 176260240 /nfs/dbraw/zinc/26/02/40/176260240.db2.gz KKRKUKXUNYAYEP-UHFFFAOYSA-N 1 0 280.371 2.701 50 0 CFAARO O=C(Nc1ccc(-c2cccc3c2CC[NH2+]C3)cn1)C1CC1 ZINC000071760830 176261468 /nfs/dbraw/zinc/26/14/68/176261468.db2.gz MLYLWYGCDYALNB-UHFFFAOYSA-N 1 0 293.370 2.743 50 0 CFAARO CC[C@@H](CO)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000071794392 176264139 /nfs/dbraw/zinc/26/41/39/176264139.db2.gz YCOCANXZXCSKCJ-ZDUSSCGKSA-N 1 0 276.405 2.979 50 0 CFAARO C[C@H](O)c1ccc(C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000071825318 176271964 /nfs/dbraw/zinc/27/19/64/176271964.db2.gz PJBMJPREBAXUBM-ZDUSSCGKSA-N 1 0 299.370 2.801 50 0 CFAARO CCOCCN1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000071864728 176281123 /nfs/dbraw/zinc/28/11/23/176281123.db2.gz UJNAPZFNDOBZNJ-KRWDZBQOSA-N 1 0 290.451 2.662 50 0 CFAARO COc1ccc(F)cc1C[NH2+][C@H](C)Cn1cc(C)cn1 ZINC000071872163 176284318 /nfs/dbraw/zinc/28/43/18/176284318.db2.gz XINFDUATDMHPAE-GFCCVEGCSA-N 1 0 277.343 2.518 50 0 CFAARO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc2cc[nH]c2c1 ZINC000071883379 176289434 /nfs/dbraw/zinc/28/94/34/176289434.db2.gz CINPDYLWWYGXQT-HNNXBMFYSA-N 1 0 297.402 2.915 50 0 CFAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(N)=O)c2ccccc2)cc1 ZINC000071885736 176289786 /nfs/dbraw/zinc/28/97/86/176289786.db2.gz BWCOJDFHBCYJEG-XJKSGUPXSA-N 1 0 268.360 2.548 50 0 CFAARO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000071916175 176299483 /nfs/dbraw/zinc/29/94/83/176299483.db2.gz CUGOMNAMCIAOIE-CQSZACIVSA-N 1 0 264.369 2.885 50 0 CFAARO COc1ccc(CCC[N@H+](C)CCCc2cn[nH]c2)cc1 ZINC000071921547 176300847 /nfs/dbraw/zinc/30/08/47/176300847.db2.gz TVCJNTVCPUSOSE-UHFFFAOYSA-N 1 0 287.407 2.916 50 0 CFAARO COc1ccccc1/C=C/C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000071924538 176301570 /nfs/dbraw/zinc/30/15/70/176301570.db2.gz SJNWXVCHVFBTGA-JGOVJGDKSA-N 1 0 261.365 2.866 50 0 CFAARO COc1ccc(/C=C/C[N@@H+]2CCCn3cncc3C2)cc1 ZINC000072128160 176320984 /nfs/dbraw/zinc/32/09/84/176320984.db2.gz XGIIKJYJPQRENF-DUXPYHPUSA-N 1 0 283.375 2.811 50 0 CFAARO CN(Cc1csc(-c2cccs2)n1)C[C@@H]1CC[NH2+]C1 ZINC000072128196 176321032 /nfs/dbraw/zinc/32/10/32/176321032.db2.gz BQHBWRVHWFQNBN-LLVKDONJSA-N 1 0 293.461 2.913 50 0 CFAARO CCNC(=O)Cc1ccc(-c2cccc3c2CC[NH2+]C3)cc1 ZINC000072131901 176321943 /nfs/dbraw/zinc/32/19/43/176321943.db2.gz ZAUYVELCEUAVTQ-UHFFFAOYSA-N 1 0 294.398 2.678 50 0 CFAARO [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072134427 176322416 /nfs/dbraw/zinc/32/24/16/176322416.db2.gz GMAPUPSEIUKMQQ-SECBINFHSA-N 1 0 285.750 2.824 50 0 CFAARO C[N@@H+](Cc1cccc2ncccc12)C[C@H]1CCOC1 ZINC000072146345 176325111 /nfs/dbraw/zinc/32/51/11/176325111.db2.gz LJWUKWQOGVBKCJ-CYBMUJFWSA-N 1 0 256.349 2.703 50 0 CFAARO c1ccc(C[N@H+]2CCC[C@H](OCc3cccnc3)C2)nc1 ZINC000072146189 176325256 /nfs/dbraw/zinc/32/52/56/176325256.db2.gz YEAPWTMMUYDOGG-KRWDZBQOSA-N 1 0 283.375 2.658 50 0 CFAARO OC1(c2ccc(-c3cccc4ccnn43)cc2)CC[NH2+]CC1 ZINC000072147202 176325745 /nfs/dbraw/zinc/32/57/45/176325745.db2.gz QYHDRFYYKUPNMJ-UHFFFAOYSA-N 1 0 293.370 2.572 50 0 CFAARO [NH3+][C@@H]1CC[C@@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000072150747 176326795 /nfs/dbraw/zinc/32/67/95/176326795.db2.gz GSGJZYZJSXMTGS-MSOLQXFVSA-N 1 0 294.398 2.815 50 0 CFAARO Cc1ncsc1CN1CCCC[C@@H]1CC[NH+](C)C ZINC000072153564 176328033 /nfs/dbraw/zinc/32/80/33/176328033.db2.gz AYIVOPFROLYKGN-CYBMUJFWSA-N 1 0 267.442 2.758 50 0 CFAARO Cc1ccccc1OC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000072410764 176398626 /nfs/dbraw/zinc/39/86/26/176398626.db2.gz SGIVLGIXRYEJEE-HNNXBMFYSA-N 1 0 275.392 2.875 50 0 CFAARO c1ccc(Cn2c3ccccc3c3c2CC[NH2+]C3)nc1 ZINC000075567644 176732049 /nfs/dbraw/zinc/73/20/49/176732049.db2.gz QKVNXDNQVHUUOV-UHFFFAOYSA-N 1 0 263.344 2.730 50 0 CFAARO O=C(OCc1ccccc1)N1CCC[C@@]12CCC[NH2+]C2 ZINC000076914433 177132849 /nfs/dbraw/zinc/13/28/49/177132849.db2.gz FCORNWMUPZYZIJ-MRXNPFEDSA-N 1 0 274.364 2.541 50 0 CFAARO C[C@H]1CO[C@H](c2ccccc2)CN1CC[NH+]1CCCCC1 ZINC000077173847 177230296 /nfs/dbraw/zinc/23/02/96/177230296.db2.gz PMUDTBRTNUCTGW-WMZOPIPTSA-N 1 0 288.435 2.934 50 0 CFAARO [NH3+][C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 ZINC000077353491 177255614 /nfs/dbraw/zinc/25/56/14/177255614.db2.gz UWOSXPKZBUQNQS-AWEZNQCLSA-N 1 0 280.799 2.612 50 0 CFAARO c1csc(CC[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000077356032 177256651 /nfs/dbraw/zinc/25/66/51/177256651.db2.gz BHCUVBBKIVLEPN-ZDUSSCGKSA-N 1 0 281.421 2.608 50 0 CFAARO NC(=O)C1([NH2+]Cc2ccc(OC(F)F)cc2)CCCCC1 ZINC000078659392 177367920 /nfs/dbraw/zinc/36/79/20/177367920.db2.gz YGYWCWZOLSWMKY-UHFFFAOYSA-N 1 0 298.333 2.566 50 0 CFAARO CC[C@H](c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000020264364 260117465 /nfs/dbraw/zinc/11/74/65/260117465.db2.gz YSGSLACFKQEPAR-CYBMUJFWSA-N 1 0 283.213 2.805 50 0 CFAARO Cc1nccc(N2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000408513075 261068738 /nfs/dbraw/zinc/06/87/38/261068738.db2.gz OZQUMGFBUODTGX-UHFFFAOYSA-N 1 0 282.391 2.544 50 0 CFAARO COC(=O)c1oc([C@H](C)[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1C ZINC000246152066 274009564 /nfs/dbraw/zinc/00/95/64/274009564.db2.gz SZIOYUUQRMSDON-RWMBFGLXSA-N 1 0 295.379 2.528 50 0 CFAARO COc1c(O)cc2c3c1-c1ccccc1C[C@H]3[NH2+]CC2 ZINC000031166315 274090097 /nfs/dbraw/zinc/09/00/97/274090097.db2.gz NBDNEUOVIJYCGZ-CYBMUJFWSA-N 1 0 267.328 2.811 50 0 biogenic,in-vitro CFAARO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)c2ccccc21 ZINC000241816032 274299178 /nfs/dbraw/zinc/29/91/78/274299178.db2.gz SEYNXLNEMBNXNQ-UPJWGTAASA-N 1 0 258.365 2.654 50 0 CFAARO C[C@@H]1CCc2sc3ncnc(NCC[NH+](C)C)c3c2C1 ZINC000004995217 274321918 /nfs/dbraw/zinc/32/19/18/274321918.db2.gz JWWJAHJTZOCJIK-SNVBAGLBSA-N 1 0 290.436 2.790 50 0 CFAARO CC(C)N1CC[C@@H]([NH2+][C@H]2CSCc3ccccc32)C1=O ZINC000089729226 275642705 /nfs/dbraw/zinc/64/27/05/275642705.db2.gz ULPQQAKRACYDCT-CABCVRRESA-N 1 0 290.432 2.573 50 0 CFAARO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000089729142 275867646 /nfs/dbraw/zinc/86/76/46/275867646.db2.gz SPCUABRTKVMLCL-UONOGXRCSA-N 1 0 252.402 2.720 50 0 CFAARO CC[N@H+](C)C(C)(C)Cn1ccnc1-c1ccccn1 ZINC000067787375 276068899 /nfs/dbraw/zinc/06/88/99/276068899.db2.gz XGVGMFFBNSEZAO-UHFFFAOYSA-N 1 0 258.369 2.675 50 0 CFAARO CC[NH+](CC)CC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000075159216 276094021 /nfs/dbraw/zinc/09/40/21/276094021.db2.gz REAGGJSVUBDHKI-AWEZNQCLSA-N 1 0 280.799 2.955 50 0 CFAARO CCOC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000000526070 276283791 /nfs/dbraw/zinc/28/37/91/276283791.db2.gz ZHDPUUULDGKDHV-ZFWWWQNUSA-N 1 0 274.364 2.759 50 0 CFAARO CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000123151827 276387949 /nfs/dbraw/zinc/38/79/49/276387949.db2.gz YRGPDYJRLDAQHO-LSDHHAIUSA-N 1 0 295.448 2.593 50 0 CFAARO CCc1nc(-c2ccc([C@H](C)[NH+](C)C)cc2)nn1C ZINC000426440269 276698300 /nfs/dbraw/zinc/69/83/00/276698300.db2.gz KDZSEZNILOEWRY-NSHDSACASA-N 1 0 258.369 2.667 50 0 CFAARO C[NH+](C)CC1(Nc2ncnc3cc(F)c(F)cc32)CCC1 ZINC000252499901 276782340 /nfs/dbraw/zinc/78/23/40/276782340.db2.gz SIKAXBUWDYYDPX-UHFFFAOYSA-N 1 0 292.333 2.804 50 0 CFAARO COC1=CCC2=C(CC[NH2+][C@H]2Cc2ccc(O)cc2)C1 ZINC000004350059 277475514 /nfs/dbraw/zinc/47/55/14/277475514.db2.gz DYFRJIOGPUMGML-KRWDZBQOSA-N 1 0 271.360 2.917 50 0 CFAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000020998477 278040635 /nfs/dbraw/zinc/04/06/35/278040635.db2.gz RADPZLVPRYSAOO-OAHLLOKOSA-N 1 0 269.344 2.789 50 0 CFAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000063193108 278227258 /nfs/dbraw/zinc/22/72/58/278227258.db2.gz AVHRARGZANIXKE-ZANVPECISA-N 1 0 284.762 2.821 50 0 CFAARO CC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000006007990 278248779 /nfs/dbraw/zinc/24/87/79/278248779.db2.gz AXQKWRMPCYVYQL-XJKSGUPXSA-N 1 0 291.391 2.503 50 0 CFAARO CC(C)(C)OC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC000051943378 278388760 /nfs/dbraw/zinc/38/87/60/278388760.db2.gz VPLODDZAJNYXTC-CQSZACIVSA-N 1 0 254.374 2.530 50 0 in-vitro CFAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037142116 279061319 /nfs/dbraw/zinc/06/13/19/279061319.db2.gz DOICJUOBAFWQJM-WDEREUQCSA-N 1 0 261.291 2.929 50 0 CFAARO C[C@H](C1CC1)[N@H+](Cc1cc(=O)n2ccsc2n1)C1CC1 ZINC000031654333 279241861 /nfs/dbraw/zinc/24/18/61/279241861.db2.gz ODEOQZRMTQRCLM-SNVBAGLBSA-N 1 0 289.404 2.519 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(F)cc1Cl ZINC000063193578 279417727 /nfs/dbraw/zinc/41/77/27/279417727.db2.gz ZNRJIPQNWBCQKY-TVQRCGJNSA-N 1 0 284.762 2.821 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(F)c1Cl ZINC000156482623 279418031 /nfs/dbraw/zinc/41/80/31/279418031.db2.gz FFNZZTWKSUYEQS-JOYOIKCWSA-N 1 0 284.762 2.821 50 0 CFAARO [NH3+]C[C@@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 ZINC000299782774 279644393 /nfs/dbraw/zinc/64/43/93/279644393.db2.gz GPXIULSJSNTBHF-ZDUSSCGKSA-N 1 0 277.327 2.559 50 0 CFAARO C[C@H]1CCCN(C(=O)c2cccc(F)c2Cl)[C@@H]1C[NH3+] ZINC000165352478 279665318 /nfs/dbraw/zinc/66/53/18/279665318.db2.gz GJSXWXCGPZVBPZ-JOYOIKCWSA-N 1 0 284.762 2.679 50 0 CFAARO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)oc2c1c(C)ccc2C ZINC000132676800 280209143 /nfs/dbraw/zinc/20/91/43/280209143.db2.gz TUPYYKZSVNVURU-GFCCVEGCSA-N 1 0 272.348 2.531 50 0 CFAARO Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])sc1C ZINC000087568436 280325875 /nfs/dbraw/zinc/32/58/75/280325875.db2.gz UHVFFWLXAIEMJF-SKDRFNHKSA-N 1 0 266.410 2.564 50 0 CFAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)/C=C\c2ccccc2Cl)C1 ZINC000255031275 281084614 /nfs/dbraw/zinc/08/46/14/281084614.db2.gz RQTMUHSBHRTIBI-YOHTUHHASA-N 1 0 292.810 2.939 50 0 CFAARO C[C@@H]1Cc2ccc(C[NH3+])cc2N1C(=O)c1ccccc1 ZINC000045796030 288806721 /nfs/dbraw/zinc/80/67/21/288806721.db2.gz XXQFBERZRZQVNA-GFCCVEGCSA-N 1 0 266.344 2.737 50 0 CFAARO C[NH+](C)CCNC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000000247106 289160900 /nfs/dbraw/zinc/16/09/00/289160900.db2.gz LRHVDGJTOKRXMB-JOHJCKIYSA-N 1 0 278.440 2.661 50 0 CFAARO C[NH+](C)C[C@H]1CSCC[C@]1(O)c1ccccc1Cl ZINC000000347822 289218632 /nfs/dbraw/zinc/21/86/32/289218632.db2.gz FBNMNJLSOXDEEC-SMDDNHRTSA-N 1 0 285.840 2.842 50 0 CFAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccccc2Cl)N1 ZINC000000537421 295210152 /nfs/dbraw/zinc/21/01/52/295210152.db2.gz URWIOPDOCKHPTA-CYBMUJFWSA-N 1 0 297.749 2.977 50 0 CFAARO [NH3+]C[C@@H]1Cc2cc(-c3nc4ccccc4o3)cc(F)c2O1 ZINC000067885194 295260590 /nfs/dbraw/zinc/26/05/90/295260590.db2.gz JACDLLMTZKCPMA-NSHDSACASA-N 1 0 284.290 2.896 50 0 CFAARO C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000269227992 297467885 /nfs/dbraw/zinc/46/78/85/297467885.db2.gz ROIWZJVOVMDVGL-OQMKEHIESA-N 1 0 290.382 2.863 50 0 CFAARO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000067850736 301168183 /nfs/dbraw/zinc/16/81/83/301168183.db2.gz WKFREQIQCMNAAR-GOSISDBHSA-N 1 0 286.419 2.828 50 0 CFAARO Cc1ccccc1C1(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000299739050 302084882 /nfs/dbraw/zinc/08/48/82/302084882.db2.gz JVIXCXOHFIKRBR-LSDHHAIUSA-N 1 0 286.419 2.612 50 0 CFAARO Cc1ccccc1C1(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000299739049 302085062 /nfs/dbraw/zinc/08/50/62/302085062.db2.gz JVIXCXOHFIKRBR-HUUCEWRRSA-N 1 0 286.419 2.612 50 0 CFAARO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CCC1 ZINC000071851402 303930581 /nfs/dbraw/zinc/93/05/81/303930581.db2.gz LYCJUUQVCHTPLG-MRXNPFEDSA-N 1 0 272.392 2.740 50 0 CFAARO c1sc(-c2ccccc2)nc1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC000534586229 328315308 /nfs/dbraw/zinc/31/53/08/328315308.db2.gz HXFAMYISIMVIJC-DZGCQCFKSA-N 1 0 285.416 2.604 50 0 CFAARO CCN(Cc1ccc(C)o1)C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000534586750 328315848 /nfs/dbraw/zinc/31/58/48/328315848.db2.gz ARQXBMOFZMNELY-CYBMUJFWSA-N 1 0 293.411 2.604 50 0 CFAARO COc1cc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)nc(N)n1 ZINC000534590695 328317858 /nfs/dbraw/zinc/31/78/58/328317858.db2.gz PBXNCHMSPVVGIK-GFCCVEGCSA-N 1 0 298.390 2.722 50 0 CFAARO C[C@H]([NH2+]C1CCN(C(=O)C2CCC2)CC1)c1cccnc1 ZINC000534632912 328331968 /nfs/dbraw/zinc/33/19/68/328331968.db2.gz MGSMSOQWOALAKM-ZDUSSCGKSA-N 1 0 287.407 2.523 50 0 CFAARO COc1ccccc1-c1cc(C[NH2+]C2CCOCC2)on1 ZINC000534651023 328337094 /nfs/dbraw/zinc/33/70/94/328337094.db2.gz JKQHKKVIDOWOPI-UHFFFAOYSA-N 1 0 288.347 2.619 50 0 CFAARO CSC[C@H](C)[NH2+]CCCc1nc2ccccc2n1C ZINC000534667862 328346215 /nfs/dbraw/zinc/34/62/15/328346215.db2.gz GAIFVZCIHOTDOH-LBPRGKRZSA-N 1 0 277.437 2.847 50 0 CFAARO Cc1cccc(CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000534667845 328346221 /nfs/dbraw/zinc/34/62/21/328346221.db2.gz NXKCYAQAMPORBU-INIZCTEOSA-N 1 0 286.419 2.671 50 0 CFAARO Cc1ccccc1CC1([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000534669415 328346797 /nfs/dbraw/zinc/34/67/97/328346797.db2.gz QSBBMMGOVGKZLM-HNNXBMFYSA-N 1 0 269.392 2.945 50 0 CFAARO O=C1CC[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CC2)CCN1 ZINC000534670141 328347028 /nfs/dbraw/zinc/34/70/28/328347028.db2.gz BWFPVOGNVCEGBR-CQSZACIVSA-N 1 0 292.810 2.630 50 0 CFAARO CC[N@H+](C)C1(CNC(=O)c2cccc(O)c2C)CCCC1 ZINC000534673722 328348828 /nfs/dbraw/zinc/34/88/28/328348828.db2.gz VETUYBKLYBYBON-UHFFFAOYSA-N 1 0 290.407 2.695 50 0 CFAARO CCC[C@@H](CNC(=O)c1ccc(C)n1C(F)F)[NH+](C)C ZINC000534662408 328350411 /nfs/dbraw/zinc/35/04/11/328350411.db2.gz LZNBEXUBPYWACT-NSHDSACASA-N 1 0 287.354 2.652 50 0 CFAARO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C12CCCCC2 ZINC000097370969 323618593 /nfs/dbraw/zinc/61/85/93/323618593.db2.gz BAMMSXSUBCJYTG-ZJIFWQFVSA-N 1 0 279.424 2.641 50 0 CFAARO CC(C)[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)C1CC1 ZINC000097228270 323619145 /nfs/dbraw/zinc/61/91/45/323619145.db2.gz OWWXSFZQEKSSGI-YPMHNXCESA-N 1 0 278.362 2.895 50 0 CFAARO O[C@@H](CC1CCCC1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000188634261 324019151 /nfs/dbraw/zinc/01/91/51/324019151.db2.gz HRSZURBURQRCRR-SFHVURJKSA-N 1 0 288.435 2.750 50 0 CFAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]C(C)(C)CCS(C)(=O)=O ZINC000191107720 324045126 /nfs/dbraw/zinc/04/51/26/324045126.db2.gz RIRRUKFSTYUOCM-KBPBESRZSA-N 1 0 287.469 2.782 50 0 CFAARO C[C@H](C[N@@H+]1CCC[C@@H](CC(N)=O)C1)c1ccc(F)cc1 ZINC000195573025 324109135 /nfs/dbraw/zinc/10/91/35/324109135.db2.gz JBNMCQKSYZBRLO-OLZOCXBDSA-N 1 0 278.371 2.517 50 0 CFAARO CC(C)n1cc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)cn1 ZINC000195572405 324109443 /nfs/dbraw/zinc/10/94/43/324109443.db2.gz OFJNDTVSIHHJKK-MRXNPFEDSA-N 1 0 279.428 2.885 50 0 CFAARO CCOC(=O)C[C@H]([NH3+])c1ccc(OCC(C)C)c(OC)c1 ZINC000032919369 326898528 /nfs/dbraw/zinc/89/85/28/326898528.db2.gz ODDAFYLVGVNFPO-ZDUSSCGKSA-N 1 0 295.379 2.683 50 0 CFAARO C[C@@H](CC[NH+](C)C)NCc1nc(C(C)(C)C)cs1 ZINC000094965720 327202156 /nfs/dbraw/zinc/20/21/56/327202156.db2.gz YFJMKQLXALXAAJ-NSHDSACASA-N 1 0 269.458 2.870 50 0 CFAARO