smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(Cc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c(C)c1Cl ZINC000035670810 1096517469 /nfs/dbraw/zinc/51/74/69/1096517469.db2.gz ANYIASBKQXTVDM-UHFFFAOYSA-N 1 1 346.862 2.589 40 0 EFABMO CC(C)[N@@H+](CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178146 219094248 /nfs/dbraw/zinc/09/42/48/219094248.db2.gz XBJQBZOXZFLQJW-HDICACEKSA-N 1 1 334.460 2.927 40 0 EFABMO CC(C)COC(=O)C[C@@H](c1ccccc1)[C@H]([NH3+])C(=O)OCC(C)C ZINC000019203235 202000051 /nfs/dbraw/zinc/00/00/51/202000051.db2.gz MXXHKDCAFSLHRH-WMZOPIPTSA-N 1 1 335.444 2.886 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1Cc1ccccc1 ZINC000019238715 202001137 /nfs/dbraw/zinc/00/11/37/202001137.db2.gz USUVGGSUILJEMT-CEXWTWQISA-N 1 1 342.508 2.919 40 0 EFABMO Cc1ccsc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@H]1Cc1ccccc1 ZINC000019238715 202001140 /nfs/dbraw/zinc/00/11/40/202001140.db2.gz USUVGGSUILJEMT-CEXWTWQISA-N 1 1 342.508 2.919 40 0 EFABMO Cc1ccsc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1Cc1ccccc1 ZINC000019238715 202001142 /nfs/dbraw/zinc/00/11/42/202001142.db2.gz USUVGGSUILJEMT-CEXWTWQISA-N 1 1 342.508 2.919 40 0 EFABMO CSc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)cc1 ZINC000019286362 202002686 /nfs/dbraw/zinc/00/26/86/202002686.db2.gz HNLGFJPBYMKRCE-CABCVRRESA-N 1 1 341.480 2.932 40 0 EFABMO NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](CC2CC2)C1 ZINC000019331702 202003888 /nfs/dbraw/zinc/00/38/88/202003888.db2.gz BHDJNHKPILUUJP-NRFANRHFSA-N 1 1 335.451 2.879 40 0 EFABMO c1csc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)c1 ZINC000019343510 202004992 /nfs/dbraw/zinc/00/49/92/202004992.db2.gz VHXTULDTLXDURQ-AWEZNQCLSA-N 1 1 340.456 2.709 40 0 EFABMO O=C(C1CCOCC1)N1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000019372492 202005175 /nfs/dbraw/zinc/00/51/75/202005175.db2.gz QHDBOVHBDMOMLW-VQTJNVASSA-N 1 1 342.483 2.926 40 0 EFABMO c1ccc(CC[N@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019371312 202005768 /nfs/dbraw/zinc/00/57/68/202005768.db2.gz BFXMYCRQNVCWFB-SFHVURJKSA-N 1 1 348.454 2.690 40 0 EFABMO CC(C)n1cc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)c2ccccc21 ZINC000019575322 202013915 /nfs/dbraw/zinc/01/39/15/202013915.db2.gz JXEUDKUXUWNLLD-KBAYOESNSA-N 1 1 327.472 2.862 40 0 EFABMO Cc1cccc(CC(=O)N2CCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)c1 ZINC000019709074 202017232 /nfs/dbraw/zinc/01/72/32/202017232.db2.gz HMZIMEINUPTYIK-LJQANCHMSA-N 1 1 340.471 2.696 40 0 EFABMO Fc1cnc(N2CCC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)nc1 ZINC000096158302 283033425 /nfs/dbraw/zinc/03/34/25/283033425.db2.gz CFUQXEOGBDPTHN-INIZCTEOSA-N 1 1 333.436 2.565 40 0 EFABMO Fc1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)nc1 ZINC000096158302 283033427 /nfs/dbraw/zinc/03/34/27/283033427.db2.gz CFUQXEOGBDPTHN-INIZCTEOSA-N 1 1 333.436 2.565 40 0 EFABMO CCNC(=O)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241771 202036708 /nfs/dbraw/zinc/03/67/08/202036708.db2.gz QKELWWBDKCIQOK-UHFFFAOYSA-N 1 1 337.467 2.754 40 0 EFABMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000022585748 202087226 /nfs/dbraw/zinc/08/72/26/202087226.db2.gz YEVQQPCVAWPGDN-KRWDZBQOSA-N 1 1 337.467 2.528 40 0 EFABMO C[NH+]1CCN([C@H](CNC(=O)c2cccc(Cl)c2)c2ccco2)CC1 ZINC000022938346 202094526 /nfs/dbraw/zinc/09/45/26/202094526.db2.gz OLVRBHIUDYPBMM-MRXNPFEDSA-N 1 1 347.846 2.652 40 0 EFABMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccsc3)cc2)CC1 ZINC000040115281 202171474 /nfs/dbraw/zinc/17/14/74/202171474.db2.gz MRAZPONPVHJTIV-UHFFFAOYSA-N 1 1 343.496 2.816 40 0 EFABMO Cc1sc2ncnc(NCC(C)(C)N3CC[NH+](C)CC3)c2c1C ZINC000029839763 202191045 /nfs/dbraw/zinc/19/10/45/202191045.db2.gz QMWQCRIRQRVHLL-UHFFFAOYSA-N 1 1 333.505 2.746 40 0 EFABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)C[C@H]1CCOC1 ZINC000036740326 202331096 /nfs/dbraw/zinc/33/10/96/202331096.db2.gz QNRSXRZQERTLCZ-QGZVFWFLSA-N 1 1 329.444 2.821 40 0 EFABMO CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000072555529 202365275 /nfs/dbraw/zinc/36/52/75/202365275.db2.gz SHPNXLMLKGEPAA-UHFFFAOYSA-N 1 1 349.434 2.923 40 0 EFABMO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632560 202365701 /nfs/dbraw/zinc/36/57/01/202365701.db2.gz ACWDXHUNXBWLAQ-HNNXBMFYSA-N 1 1 343.452 2.724 40 0 EFABMO O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632560 202365705 /nfs/dbraw/zinc/36/57/05/202365705.db2.gz ACWDXHUNXBWLAQ-HNNXBMFYSA-N 1 1 343.452 2.724 40 0 EFABMO C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccccc2)CO1 ZINC000072896858 202368051 /nfs/dbraw/zinc/36/80/51/202368051.db2.gz MGDUFVRVUWORQY-BEFAXECRSA-N 1 1 349.434 2.928 40 0 EFABMO C[C@@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccccc2)CO1 ZINC000072896858 202368054 /nfs/dbraw/zinc/36/80/54/202368054.db2.gz MGDUFVRVUWORQY-BEFAXECRSA-N 1 1 349.434 2.928 40 0 EFABMO Cc1nc(C(C)(C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)sc1C ZINC000072865596 202368617 /nfs/dbraw/zinc/36/86/17/202368617.db2.gz LSHHUYBEJFHUKR-SNVBAGLBSA-N 1 1 335.395 2.748 40 0 EFABMO O=c1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)nc2ccccn12 ZINC000072867373 202368921 /nfs/dbraw/zinc/36/89/21/202368921.db2.gz VEOCNSWWVMSCTL-RBUKOAKNSA-N 1 1 349.434 2.783 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075838765 202377788 /nfs/dbraw/zinc/37/77/88/202377788.db2.gz UZKWAFUPOAMFBS-QGZVFWFLSA-N 1 1 341.459 2.868 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075838765 202377791 /nfs/dbraw/zinc/37/77/91/202377791.db2.gz UZKWAFUPOAMFBS-QGZVFWFLSA-N 1 1 341.459 2.868 40 0 EFABMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)c1 ZINC000075838974 202378117 /nfs/dbraw/zinc/37/81/17/202378117.db2.gz OBQXZGQUEKLGRG-IBGZPJMESA-N 1 1 338.455 2.601 40 0 EFABMO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)n(C)n1 ZINC000075964533 202380078 /nfs/dbraw/zinc/38/00/78/202380078.db2.gz IOIRHYWWZXSEQZ-HNNXBMFYSA-N 1 1 344.484 2.781 40 0 EFABMO Cc1cc(NC(=O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)n(C)n1 ZINC000075964533 202380081 /nfs/dbraw/zinc/38/00/81/202380081.db2.gz IOIRHYWWZXSEQZ-HNNXBMFYSA-N 1 1 344.484 2.781 40 0 EFABMO CCOc1ccccc1OCC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000075738286 202382713 /nfs/dbraw/zinc/38/27/13/202382713.db2.gz OLMGAPVXNDGHGC-INIZCTEOSA-N 1 1 332.444 2.551 40 0 EFABMO c1ncn(C[C@@H]([NH2+]Cc2cccc3c2OCCO3)c2ccccc2)n1 ZINC000077404394 202393735 /nfs/dbraw/zinc/39/37/35/202393735.db2.gz QIBOPZYOHRGCIW-QGZVFWFLSA-N 1 1 336.395 2.580 40 0 EFABMO CN(Cc1cccs1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078062288 202394870 /nfs/dbraw/zinc/39/48/70/202394870.db2.gz OJBWWKZXPHKBAY-KRWDZBQOSA-N 1 1 330.453 2.608 40 0 EFABMO CN(Cc1cccs1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078062288 202394874 /nfs/dbraw/zinc/39/48/74/202394874.db2.gz OJBWWKZXPHKBAY-KRWDZBQOSA-N 1 1 330.453 2.608 40 0 EFABMO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2c[nH]nc2C)CC1 ZINC000078553354 202396238 /nfs/dbraw/zinc/39/62/38/202396238.db2.gz YXGKRWHGMAHQST-HNNXBMFYSA-N 1 1 345.466 2.850 40 0 EFABMO Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)NC(C)C)o1 ZINC000078552579 202396694 /nfs/dbraw/zinc/39/66/94/202396694.db2.gz IOVQWUWDSUXZOF-UHFFFAOYSA-N 1 1 336.457 2.706 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000078556746 202397683 /nfs/dbraw/zinc/39/76/83/202397683.db2.gz ZIGGTCVEGKENIQ-FMIVXFBMSA-N 1 1 340.408 2.988 40 0 EFABMO COc1ccccc1C[C@@H](C)CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000078656032 202398161 /nfs/dbraw/zinc/39/81/61/202398161.db2.gz MUVPLEBOSVLKNC-SJLPKXTDSA-N 1 1 330.472 2.961 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCn1ccnc1 ZINC000076387731 202387275 /nfs/dbraw/zinc/38/72/75/202387275.db2.gz CZVSGWYSUOBCKO-GOSISDBHSA-N 1 1 340.471 2.786 40 0 EFABMO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000076981454 202389422 /nfs/dbraw/zinc/38/94/22/202389422.db2.gz OEZHILIETPXKMN-WFASDCNBSA-N 1 1 336.505 2.947 40 0 EFABMO COc1cccc(C[N@@H+]2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)c1 ZINC000077266874 202391130 /nfs/dbraw/zinc/39/11/30/202391130.db2.gz DDQUCBGDVUJITB-GOSISDBHSA-N 1 1 343.471 2.950 40 0 biogenic,in-vitro EFABMO COc1cccc(C[N@H+]2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)c1 ZINC000077266874 202391133 /nfs/dbraw/zinc/39/11/33/202391133.db2.gz DDQUCBGDVUJITB-GOSISDBHSA-N 1 1 343.471 2.950 40 0 biogenic,in-vitro EFABMO C[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000225383813 201036280 /nfs/dbraw/zinc/03/62/80/201036280.db2.gz WIGABDCCHSWGLX-FPCVCCKLSA-N 1 1 325.497 2.752 40 0 EFABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000226751662 201038528 /nfs/dbraw/zinc/03/85/28/201038528.db2.gz KGTLYBBHWIXHSZ-RTBURBONSA-N 1 1 337.423 2.929 40 0 EFABMO COc1ccc(CN2C[C@@H]3C[N@@H+](CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186353 /nfs/dbraw/zinc/18/63/53/201186353.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 1 1 345.531 2.932 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@@H+]2C[C@@H]3CN(CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186356 /nfs/dbraw/zinc/18/63/56/201186356.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 1 1 345.531 2.932 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(CC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253399863 201186359 /nfs/dbraw/zinc/18/63/59/201186359.db2.gz KBXBGSJIBOCERN-IBGZPJMESA-N 1 1 345.531 2.932 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)nn1 ZINC000283227330 201329174 /nfs/dbraw/zinc/32/91/74/201329174.db2.gz TYUVCSSWBHVCSL-JKSUJKDBSA-N 1 1 331.416 2.947 40 0 EFABMO COc1ccc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)nn1 ZINC000283323358 201330271 /nfs/dbraw/zinc/33/02/71/201330271.db2.gz ZVBYLBVOOFSRIR-SFHVURJKSA-N 1 1 327.428 2.747 40 0 EFABMO CC(=O)NC[C@H]1C[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184453 201330317 /nfs/dbraw/zinc/33/03/17/201330317.db2.gz FJYKTJMXOBZDOY-LRDDRELGSA-N 1 1 344.377 2.646 40 0 EFABMO CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184453 201330319 /nfs/dbraw/zinc/33/03/19/201330319.db2.gz FJYKTJMXOBZDOY-LRDDRELGSA-N 1 1 344.377 2.646 40 0 EFABMO COc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032896 201363584 /nfs/dbraw/zinc/36/35/84/201363584.db2.gz UAFWRUVIBPKRQZ-VQIMIIECSA-N 1 1 340.471 2.828 40 0 EFABMO COc1ccc(C(=O)N2CC[NH+](CCn3c(C)ccc3C)CC2)cc1 ZINC000023224593 212360946 /nfs/dbraw/zinc/36/09/46/212360946.db2.gz ZBFMUPGEWMYNOF-UHFFFAOYSA-N 1 1 341.455 2.572 40 0 EFABMO O[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000022383519 212294036 /nfs/dbraw/zinc/29/40/36/212294036.db2.gz UBHDZDGZIMYOGP-LBPRGKRZSA-N 1 1 327.306 2.712 40 0 EFABMO O[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000022383519 212294038 /nfs/dbraw/zinc/29/40/38/212294038.db2.gz UBHDZDGZIMYOGP-LBPRGKRZSA-N 1 1 327.306 2.712 40 0 EFABMO CC[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)N(C)Cc1ccccc1 ZINC000225798246 240231971 /nfs/dbraw/zinc/23/19/71/240231971.db2.gz FZTNILPKQWBBHC-LJQANCHMSA-N 1 1 331.504 2.886 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2c2nc(C)cc(C)n2)n1 ZINC000257338875 240312040 /nfs/dbraw/zinc/31/20/40/240312040.db2.gz YZGGNLQUPILWOX-MRXNPFEDSA-N 1 1 335.415 2.719 40 0 EFABMO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(NC)n2)cc1CO ZINC000257339712 240312749 /nfs/dbraw/zinc/31/27/49/240312749.db2.gz ZCWPMXGRMVQSHN-KRWDZBQOSA-N 1 1 342.443 2.746 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2cncc(NC)n2)cc1CO ZINC000257339712 240312757 /nfs/dbraw/zinc/31/27/57/240312757.db2.gz ZCWPMXGRMVQSHN-KRWDZBQOSA-N 1 1 342.443 2.746 40 0 EFABMO CCN(C(=O)CN1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000022069619 212275060 /nfs/dbraw/zinc/27/50/60/212275060.db2.gz VPIMEIKJAVGLKM-UHFFFAOYSA-N 1 1 343.496 2.919 40 0 EFABMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)[C@@H](C)C1 ZINC000195552124 241002262 /nfs/dbraw/zinc/00/22/62/241002262.db2.gz GOJPLOCNCHZUAO-YOEHRIQHSA-N 1 1 333.476 2.788 40 0 EFABMO CC(=O)c1ccc(NC(=O)CNC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000022030006 212272793 /nfs/dbraw/zinc/27/27/93/212272793.db2.gz GUJKJEIBMNQZDX-IBGZPJMESA-N 1 1 339.439 2.720 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225736051 242010858 /nfs/dbraw/zinc/01/08/58/242010858.db2.gz SJUXYZBSFWSKSO-CYBMUJFWSA-N 1 1 335.473 2.824 40 0 EFABMO CCCc1nnc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000226751531 242113050 /nfs/dbraw/zinc/11/30/50/242113050.db2.gz WCHLFBAYCSVPQD-ZIAGYGMSSA-N 1 1 330.457 2.775 40 0 EFABMO C[N@H+]1C[C@H](C(=O)NCCc2ccccc2F)[C@H](c2ccccc2)C1 ZINC000230104481 242231939 /nfs/dbraw/zinc/23/19/39/242231939.db2.gz QCHFRUNUBBOCPV-ROUUACIJSA-N 1 1 326.415 2.830 40 0 EFABMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C(F)F)s3)CC2)C[C@H](C)O1 ZINC000091478551 203076044 /nfs/dbraw/zinc/07/60/44/203076044.db2.gz AXMATYLRYYJTOV-PHIMTYICSA-N 1 1 346.447 2.801 40 0 EFABMO c1cc2n(c1)C[C@H](OCc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253588481 244024719 /nfs/dbraw/zinc/02/47/19/244024719.db2.gz FERCLAANGGFDCA-HXUWFJFHSA-N 1 1 341.455 2.711 40 0 EFABMO Cc1ccsc1C[NH+]1CC2(C1)CC[C@@H](CNc1ncccn1)CO2 ZINC000253599917 244030579 /nfs/dbraw/zinc/03/05/79/244030579.db2.gz XPDSEGJHWYXTJT-HNNXBMFYSA-N 1 1 344.484 2.940 40 0 EFABMO Cc1ccsc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CCC1)CO2 ZINC000253598700 244031954 /nfs/dbraw/zinc/03/19/54/244031954.db2.gz GDBDPYWILDJTRP-OAHLLOKOSA-N 1 1 348.512 2.954 40 0 EFABMO c1csc(CN2CCOC[C@@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253596937 244032136 /nfs/dbraw/zinc/03/21/36/244032136.db2.gz YHQPVYQVOWOHRO-FUHWJXTLSA-N 1 1 336.501 2.594 40 0 EFABMO Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257206794 244135473 /nfs/dbraw/zinc/13/54/73/244135473.db2.gz BEXFZPSNRGJVMI-GOSISDBHSA-N 1 1 341.459 2.503 40 0 EFABMO C[N@H+]1CCCN(C(=O)c2ccnc(Cc3ccc(F)cc3)c2)CC1 ZINC000257200431 244118117 /nfs/dbraw/zinc/11/81/17/244118117.db2.gz ADHWVRWWERUXGZ-UHFFFAOYSA-N 1 1 327.403 2.589 40 0 EFABMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1nccnc1-c1nccn1C ZINC000257201206 244120764 /nfs/dbraw/zinc/12/07/64/244120764.db2.gz AGTMHLQEZWVGIX-CYBMUJFWSA-N 1 1 340.456 2.979 40 0 EFABMO Cc1nn(C)cc1C[NH+]1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257218307 244172792 /nfs/dbraw/zinc/17/27/92/244172792.db2.gz DCPPSVPHZTUUOM-GOSISDBHSA-N 1 1 329.419 2.701 40 0 EFABMO Cn1cncc1C[N@H+]1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257208617 244143205 /nfs/dbraw/zinc/14/32/05/244143205.db2.gz BMWNIPNIUJTYOX-OAHLLOKOSA-N 1 1 325.412 2.857 40 0 EFABMO CCCn1ccnc1C[N@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257211238 244149308 /nfs/dbraw/zinc/14/93/08/244149308.db2.gz BYAULBRAEANCJI-BPQIPLTHSA-N 1 1 326.444 2.978 40 0 EFABMO CCCn1ccnc1C[N@@H+]1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257211238 244149314 /nfs/dbraw/zinc/14/93/14/244149314.db2.gz BYAULBRAEANCJI-BPQIPLTHSA-N 1 1 326.444 2.978 40 0 EFABMO C[C@]12CC[N@@H+](CCOc3cccc(C(F)(F)F)c3)[C@H]1CCC(=O)N2 ZINC000257226509 244202081 /nfs/dbraw/zinc/20/20/81/244202081.db2.gz FKWXRWIPONXWJC-HOCLYGCPSA-N 1 1 342.361 2.827 40 0 EFABMO c1cc(C[N@H+]2CCC[C@H](Cc3cc(Nc4ccccn4)ncn3)C2)n[nH]1 ZINC000257227259 244205256 /nfs/dbraw/zinc/20/52/56/244205256.db2.gz FOJDAABIEPTCOO-OAHLLOKOSA-N 1 1 349.442 2.793 40 0 EFABMO c1cc(C[N@@H+]2CCC[C@H](Cc3cc(Nc4ccccn4)ncn3)C2)n[nH]1 ZINC000257227259 244205260 /nfs/dbraw/zinc/20/52/60/244205260.db2.gz FOJDAABIEPTCOO-OAHLLOKOSA-N 1 1 349.442 2.793 40 0 EFABMO Cc1cccc2nc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[N@H+]4C)cn21 ZINC000257220067 244182360 /nfs/dbraw/zinc/18/23/60/244182360.db2.gz DJJSSUBZSNOMHL-REGYPHIPSA-N 1 1 338.455 2.730 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000072369999 203209618 /nfs/dbraw/zinc/20/96/18/203209618.db2.gz QAKMIBKMCOXKBF-CYBMUJFWSA-N 1 1 332.835 2.754 40 0 EFABMO Cc1n[nH]cc1C(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072378569 203209923 /nfs/dbraw/zinc/20/99/23/203209923.db2.gz UQQOVJHWLWKWMZ-INIZCTEOSA-N 1 1 336.399 2.585 40 0 EFABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072378876 203210824 /nfs/dbraw/zinc/21/08/24/203210824.db2.gz WNQCWIVNPHADLX-KRWDZBQOSA-N 1 1 347.422 2.991 40 0 EFABMO COCCn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c2ccccc21 ZINC000072324583 203200629 /nfs/dbraw/zinc/20/06/29/203200629.db2.gz YZIWFRDXIBIWBJ-WMZOPIPTSA-N 1 1 327.472 2.956 40 0 EFABMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)c1F ZINC000257246258 244258523 /nfs/dbraw/zinc/25/85/23/244258523.db2.gz ITICGDSYLDYPLW-VNQPRFMTSA-N 1 1 342.418 2.947 40 0 EFABMO Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C)n1 ZINC000072355511 203204093 /nfs/dbraw/zinc/20/40/93/203204093.db2.gz HNERAXXHPDBCMU-SFHVURJKSA-N 1 1 336.443 2.955 40 0 EFABMO Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360364 203204701 /nfs/dbraw/zinc/20/47/01/203204701.db2.gz OFVAOTCBTIVOMY-MRXNPFEDSA-N 1 1 340.431 2.635 40 0 EFABMO CCc1noc(C)c1C(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257241868 244243559 /nfs/dbraw/zinc/24/35/59/244243559.db2.gz HZZBOEJTFHRJFZ-HNNXBMFYSA-N 1 1 342.443 2.990 40 0 EFABMO NC(=O)[C@@]1(CCCc2ccccn2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072367237 203207329 /nfs/dbraw/zinc/20/73/29/203207329.db2.gz CLUMCUWEEMTOOK-FQEVSTJZSA-N 1 1 338.455 2.567 40 0 EFABMO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@]12CCCO2 ZINC000257242002 244245685 /nfs/dbraw/zinc/24/56/85/244245685.db2.gz IAPJBPLBAPGYLM-IEBWSBKVSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@]12CCCO2 ZINC000257242002 244245687 /nfs/dbraw/zinc/24/56/87/244245687.db2.gz IAPJBPLBAPGYLM-IEBWSBKVSA-N 1 1 332.444 2.512 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257247030 244261703 /nfs/dbraw/zinc/26/17/03/244261703.db2.gz IXBVPMYUJVTCEN-CQSZACIVSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257247030 244261708 /nfs/dbraw/zinc/26/17/08/244261708.db2.gz IXBVPMYUJVTCEN-CQSZACIVSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257247030 244261713 /nfs/dbraw/zinc/26/17/13/244261713.db2.gz IXBVPMYUJVTCEN-CQSZACIVSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1cnccc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257249979 244264963 /nfs/dbraw/zinc/26/49/63/244264963.db2.gz JKMVBZBMNGNYFF-OALUTQOASA-N 1 1 330.403 2.933 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393211 203212946 /nfs/dbraw/zinc/21/29/46/203212946.db2.gz HCWZKOBMWXMOKV-INIZCTEOSA-N 1 1 347.422 2.607 40 0 EFABMO Cn1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2nccnc21 ZINC000072393845 203213212 /nfs/dbraw/zinc/21/32/12/203213212.db2.gz BWXMEBICDHBSAB-AWEZNQCLSA-N 1 1 325.391 2.882 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393074 203213300 /nfs/dbraw/zinc/21/33/00/203213300.db2.gz YBFVQCAKRUCDOQ-KRWDZBQOSA-N 1 1 347.422 2.607 40 0 EFABMO CCc1nc(C)c(C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)[nH]1 ZINC000257252861 244273341 /nfs/dbraw/zinc/27/33/41/244273341.db2.gz JWKFQFBXVSLTKP-HKUYNNGSSA-N 1 1 329.444 2.685 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)[nH]1 ZINC000257252861 244273342 /nfs/dbraw/zinc/27/33/42/244273342.db2.gz JWKFQFBXVSLTKP-HKUYNNGSSA-N 1 1 329.444 2.685 40 0 EFABMO Cc1cccc(CCNC(=O)c2cncc([C@H]3CCC[N@H+](C)C3)n2)c1 ZINC000257253900 244275145 /nfs/dbraw/zinc/27/51/45/244275145.db2.gz KASYUSKWCUJFTK-KRWDZBQOSA-N 1 1 338.455 2.567 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cs1 ZINC000257257358 244284925 /nfs/dbraw/zinc/28/49/25/244284925.db2.gz KPFADRSSGDUWOC-CQSZACIVSA-N 1 1 340.456 2.807 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cs1 ZINC000257257358 244284929 /nfs/dbraw/zinc/28/49/29/244284929.db2.gz KPFADRSSGDUWOC-CQSZACIVSA-N 1 1 340.456 2.807 40 0 EFABMO CC(=O)Nc1nc(C)c(-c2nccnc2[C@H]2CCC[N@H+](C)C2)s1 ZINC000257258245 244288066 /nfs/dbraw/zinc/28/80/66/244288066.db2.gz KSYKTLLOEAKMAI-LBPRGKRZSA-N 1 1 331.445 2.676 40 0 EFABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257264563 244359470 /nfs/dbraw/zinc/35/94/70/244359470.db2.gz LVADXBCZOSRNOE-INIZCTEOSA-N 1 1 330.457 2.820 40 0 EFABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257264563 244359474 /nfs/dbraw/zinc/35/94/74/244359474.db2.gz LVADXBCZOSRNOE-INIZCTEOSA-N 1 1 330.457 2.820 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)nc1 ZINC000257266318 244360273 /nfs/dbraw/zinc/36/02/73/244360273.db2.gz MCMAQIXQRDKBII-AWEZNQCLSA-N 1 1 338.390 2.576 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000257260620 244348257 /nfs/dbraw/zinc/34/82/57/244348257.db2.gz LDQQEHAKBPCCLO-CYBMUJFWSA-N 1 1 332.835 2.754 40 0 EFABMO CC(C)n1nccc1C[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257260772 244348330 /nfs/dbraw/zinc/34/83/30/244348330.db2.gz LEHFHJDVBPRJAX-INIZCTEOSA-N 1 1 340.431 2.940 40 0 EFABMO CC(C)n1nccc1C[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257260772 244348333 /nfs/dbraw/zinc/34/83/33/244348333.db2.gz LEHFHJDVBPRJAX-INIZCTEOSA-N 1 1 340.431 2.940 40 0 EFABMO NC(=O)[C@@]1(CCCc2ccccn2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000257265020 244357929 /nfs/dbraw/zinc/35/79/29/244357929.db2.gz LWYTYQRXSOZCMB-FQEVSTJZSA-N 1 1 338.455 2.567 40 0 EFABMO CC(C)Cc1cc(C(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)n(C)n1 ZINC000257273177 244382680 /nfs/dbraw/zinc/38/26/80/244382680.db2.gz NFOCKYHXPGXXIH-HKUYNNGSSA-N 1 1 332.492 2.708 40 0 EFABMO CN(C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C)C(=O)c1cccnc1 ZINC000257278084 244396793 /nfs/dbraw/zinc/39/67/93/244396793.db2.gz OASRRVYWTSDSNF-LFGUQSLTSA-N 1 1 345.487 2.558 40 0 EFABMO COCCN1[C@@H](C)C[NH+](Cc2cnc(-c3cccnc3)s2)C[C@@H]1C ZINC000093478815 203308096 /nfs/dbraw/zinc/30/80/96/203308096.db2.gz WAXWLPIEPVZGOU-GJZGRUSLSA-N 1 1 346.500 2.746 40 0 EFABMO c1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)co1 ZINC000096111201 203838577 /nfs/dbraw/zinc/83/85/77/203838577.db2.gz XFEOAALUYKUMGE-IPMKNSEASA-N 1 1 328.412 2.871 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)co1 ZINC000096111201 203838581 /nfs/dbraw/zinc/83/85/81/203838581.db2.gz XFEOAALUYKUMGE-IPMKNSEASA-N 1 1 328.412 2.871 40 0 EFABMO COc1ccc(C[N@H+]2CCC3(C2)CCN(c2ncccn2)CC3)cc1 ZINC000096157679 203845434 /nfs/dbraw/zinc/84/54/34/203845434.db2.gz WCFRMCNTMNQMOZ-UHFFFAOYSA-N 1 1 338.455 2.978 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1csnn1)CC2 ZINC000096075288 203825139 /nfs/dbraw/zinc/82/51/39/203825139.db2.gz GUNXQNATNUJCOE-UHFFFAOYSA-N 1 1 347.488 2.774 40 0 EFABMO O=C(Cc1ccccn1)N1CCC2(CCC[N@H+]2CC2CCC2)CC1 ZINC000096159394 203848637 /nfs/dbraw/zinc/84/86/37/203848637.db2.gz GFNLIULGNZTYBX-UHFFFAOYSA-N 1 1 327.472 2.881 40 0 EFABMO COCCN1CCN(C(=O)c2cccc(F)c2)Cc2ccc(C)[nH+]c21 ZINC000096199033 203862212 /nfs/dbraw/zinc/86/22/12/203862212.db2.gz FWWQOJYQZGLSDQ-UHFFFAOYSA-N 1 1 343.402 2.638 40 0 EFABMO Cc1ccc(Nc2ncnc3c2CC[N@@H+](C[C@H]2CCOC2)CC3)cc1 ZINC000096255827 203885128 /nfs/dbraw/zinc/88/51/28/203885128.db2.gz WQIPOSCXOAZSCC-MRXNPFEDSA-N 1 1 338.455 2.966 40 0 EFABMO Cc1ccc(F)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000042985788 204191220 /nfs/dbraw/zinc/19/12/20/204191220.db2.gz ZCMOMZRRZIXAJI-CYBMUJFWSA-N 1 1 342.461 2.777 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107226330 204227630 /nfs/dbraw/zinc/22/76/30/204227630.db2.gz PZKZPORFVLMSDI-PBHICJAKSA-N 1 1 330.457 2.692 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000107226226 204228128 /nfs/dbraw/zinc/22/81/28/204228128.db2.gz SGPXYXMELVKMCZ-KDOFPFPSSA-N 1 1 346.406 2.671 40 0 EFABMO O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CCN1Cc1ccncc1 ZINC000107254388 204229737 /nfs/dbraw/zinc/22/97/37/204229737.db2.gz RYNLUJVHOCQDOL-WBVHZDCISA-N 1 1 327.453 2.624 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)o1 ZINC000107728555 204245191 /nfs/dbraw/zinc/24/51/91/204245191.db2.gz CEUJYYKUQVHSDF-RDTXWAMCSA-N 1 1 331.391 2.968 40 0 EFABMO CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1cccs1)C2 ZINC000107738637 204245730 /nfs/dbraw/zinc/24/57/30/204245730.db2.gz WQGHIKMQBOWTSA-FUHWJXTLSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1cccs1)C2 ZINC000107738637 204245735 /nfs/dbraw/zinc/24/57/35/204245735.db2.gz WQGHIKMQBOWTSA-FUHWJXTLSA-N 1 1 338.517 2.696 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cn1 ZINC000107712125 204245946 /nfs/dbraw/zinc/24/59/46/204245946.db2.gz ADQWHPHVUMRGFK-PMACEKPBSA-N 1 1 347.503 2.998 40 0 EFABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000107747234 204247409 /nfs/dbraw/zinc/24/74/09/204247409.db2.gz LJMCCLRYLNEQDI-BPUTZDHNSA-N 1 1 331.441 2.597 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000107747234 204247414 /nfs/dbraw/zinc/24/74/14/204247414.db2.gz LJMCCLRYLNEQDI-BPUTZDHNSA-N 1 1 331.441 2.597 40 0 EFABMO CC(C)[N@H+](C)C[C@@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 ZINC000107739531 204247481 /nfs/dbraw/zinc/24/74/81/204247481.db2.gz QPYBOZQNUNPMEE-WMZOPIPTSA-N 1 1 338.517 2.838 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 ZINC000107739531 204247486 /nfs/dbraw/zinc/24/74/86/204247486.db2.gz QPYBOZQNUNPMEE-WMZOPIPTSA-N 1 1 338.517 2.838 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)c1 ZINC000107804635 204249400 /nfs/dbraw/zinc/24/94/00/204249400.db2.gz GYJUAYDCOZWHPK-QXAKKESOSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@H]32)c1 ZINC000107804635 204249404 /nfs/dbraw/zinc/24/94/04/204249404.db2.gz GYJUAYDCOZWHPK-QXAKKESOSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@H]32)c1 ZINC000107804632 204249437 /nfs/dbraw/zinc/24/94/37/204249437.db2.gz GYJUAYDCOZWHPK-BHIYHBOVSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@H]32)c1 ZINC000107804632 204249441 /nfs/dbraw/zinc/24/94/41/204249441.db2.gz GYJUAYDCOZWHPK-BHIYHBOVSA-N 1 1 328.412 2.871 40 0 EFABMO Clc1cncc(C[N@H+]2CCC3(CC(Nc4ncccn4)C3)C2)c1 ZINC000108526243 204265216 /nfs/dbraw/zinc/26/52/16/204265216.db2.gz WIBBZVGOTDHRLN-UHFFFAOYSA-N 1 1 329.835 2.992 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532091 204266063 /nfs/dbraw/zinc/26/60/63/204266063.db2.gz LOQWFVZBCMTYCW-QAPCUYQASA-N 1 1 349.425 2.860 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000108528759 204266235 /nfs/dbraw/zinc/26/62/35/204266235.db2.gz QOLSYEQQKSEEJX-SJLPKXTDSA-N 1 1 349.425 2.860 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000108533290 204266353 /nfs/dbraw/zinc/26/63/53/204266353.db2.gz MFUPHFMPOXFAMN-FUHWJXTLSA-N 1 1 349.425 2.988 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCO2)C1 ZINC000048884547 204356258 /nfs/dbraw/zinc/35/62/58/204356258.db2.gz AYKMYCWTZDMWQL-FCEWJHQRSA-N 1 1 330.472 2.960 40 0 EFABMO C[NH+](C)C/C=C/C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000095399367 218332685 /nfs/dbraw/zinc/33/26/85/218332685.db2.gz USDYWACAHVPLMJ-VMPITWQZSA-N 1 1 349.906 2.786 40 0 EFABMO CC[N@H+](Cc1cnn(C)c1)C[C@H](O)c1ccccc1Br ZINC000095433519 218376097 /nfs/dbraw/zinc/37/60/97/218376097.db2.gz ZDYJBHPNMUHTJP-HNNXBMFYSA-N 1 1 338.249 2.738 40 0 EFABMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCc1sc(C)nc1C ZINC000176504982 207233547 /nfs/dbraw/zinc/23/35/47/207233547.db2.gz RASLEFMJGSYVBU-CABCVRRESA-N 1 1 336.505 2.571 40 0 EFABMO COc1cccc(NC(=O)CC[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096443464 218824460 /nfs/dbraw/zinc/82/44/60/218824460.db2.gz LMEYPNLYQCYLRF-JQHSSLGASA-N 1 1 332.444 2.769 40 0 EFABMO Cc1nn(C)c(=O)c(-c2nc(Cn3cc[nH+]c3C(C)C)cs2)c1C ZINC000097236201 219002271 /nfs/dbraw/zinc/00/22/71/219002271.db2.gz KDWVKPLBQKJWFV-UHFFFAOYSA-N 1 1 343.456 2.889 40 0 EFABMO C[N@H+](Cc1cc(Br)cc2c1OCC2)C[C@@H]1CCOC1 ZINC000097379062 219020523 /nfs/dbraw/zinc/02/05/23/219020523.db2.gz DZQDATOXPUTRJZ-NSHDSACASA-N 1 1 326.234 2.852 40 0 EFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000072227088 258064492 /nfs/dbraw/zinc/06/44/92/258064492.db2.gz LTHALKTUKXCXQS-DLBZAZTESA-N 1 1 346.814 2.768 40 0 EFABMO COCc1ccccc1/C=C(\C)C[NH+]1CCN(c2cccnn2)CC1 ZINC000351050090 146108220 /nfs/dbraw/zinc/10/82/20/146108220.db2.gz AAVRONLVIZLQHZ-SAPNQHFASA-N 1 1 338.455 2.849 40 0 EFABMO COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000095964472 286276173 /nfs/dbraw/zinc/27/61/73/286276173.db2.gz HCEDDYDXRHHYJY-KRWDZBQOSA-N 1 1 328.387 2.963 40 0 EFABMO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000095964472 286276175 /nfs/dbraw/zinc/27/61/75/286276175.db2.gz HCEDDYDXRHHYJY-KRWDZBQOSA-N 1 1 328.387 2.963 40 0 EFABMO COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000030029063 286276216 /nfs/dbraw/zinc/27/62/16/286276216.db2.gz KMLPBQVURAERNP-KRWDZBQOSA-N 1 1 340.423 2.833 40 0 EFABMO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000030029063 286276217 /nfs/dbraw/zinc/27/62/17/286276217.db2.gz KMLPBQVURAERNP-KRWDZBQOSA-N 1 1 340.423 2.833 40 0 EFABMO COc1ccc(C[N@H+](C)CC(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000007652990 544421905 /nfs/dbraw/zinc/42/19/05/544421905.db2.gz VAKHHZWZXSGZGU-UHFFFAOYSA-N 1 1 345.374 2.614 40 0 EFABMO COc1ccc(C[N@@H+](C)CC(=O)NC(=O)Nc2ccccc2F)cc1 ZINC000007652990 544421912 /nfs/dbraw/zinc/42/19/12/544421912.db2.gz VAKHHZWZXSGZGU-UHFFFAOYSA-N 1 1 345.374 2.614 40 0 EFABMO C[N@@H+](CC1CCOCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000096487660 544559898 /nfs/dbraw/zinc/55/98/98/544559898.db2.gz CXLJIKJABUGWQQ-HNNXBMFYSA-N 1 1 328.250 2.841 40 0 EFABMO COc1cc2c(cc1O)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000238730544 274102734 /nfs/dbraw/zinc/10/27/34/274102734.db2.gz MPWZJVCAMFAIGV-CYBMUJFWSA-N 1 1 325.364 2.882 40 0 endogenous,in-man EFABMO COc1cc2c(cc1O)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000238730544 274102735 /nfs/dbraw/zinc/10/27/35/274102735.db2.gz MPWZJVCAMFAIGV-CYBMUJFWSA-N 1 1 325.364 2.882 40 0 endogenous,in-man EFABMO CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1OCC ZINC000286739584 274263205 /nfs/dbraw/zinc/26/32/05/274263205.db2.gz CCRFGCCFSJLSKH-QGZVFWFLSA-N 1 1 346.471 2.928 40 0 EFABMO CC(=O)Nc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000030029137 277084834 /nfs/dbraw/zinc/08/48/34/277084834.db2.gz IAVBWWLGBKCGKJ-LJQANCHMSA-N 1 1 337.423 2.774 40 0 EFABMO CC(=O)Nc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000030029137 277084836 /nfs/dbraw/zinc/08/48/36/277084836.db2.gz IAVBWWLGBKCGKJ-LJQANCHMSA-N 1 1 337.423 2.774 40 0 EFABMO C[N@H+]1CCN(Cc2nnc(C3CC3)n2C2CC2)[C@H](c2ccccc2)C1 ZINC000181521575 277109846 /nfs/dbraw/zinc/10/98/46/277109846.db2.gz CJVAHPHSTVTSCN-SFHVURJKSA-N 1 1 337.471 2.979 40 0 EFABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096070009 279395726 /nfs/dbraw/zinc/39/57/26/279395726.db2.gz HUKMMDZKCQJQPT-OTWHNJEPSA-N 1 1 330.472 2.575 40 0 EFABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](C1Cc3ccccc3C1)C2 ZINC000225495011 281136964 /nfs/dbraw/zinc/13/69/64/281136964.db2.gz YKWHYZJJPVPERI-IBGZPJMESA-N 1 1 337.467 2.560 40 0 biogenic,in-vitro EFABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000225493976 281137017 /nfs/dbraw/zinc/13/70/17/281137017.db2.gz YWIYLEUMIZUTAH-SFHVURJKSA-N 1 1 329.419 2.732 40 0 biogenic,in-vitro EFABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000225493976 281137020 /nfs/dbraw/zinc/13/70/20/281137020.db2.gz YWIYLEUMIZUTAH-SFHVURJKSA-N 1 1 329.419 2.732 40 0 biogenic,in-vitro EFABMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](C)C1 ZINC000104273652 289332057 /nfs/dbraw/zinc/33/20/57/289332057.db2.gz WFADLTDLKZGSOQ-DYWHQCQKSA-N 1 1 347.503 2.901 40 0 EFABMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000104273647 289332343 /nfs/dbraw/zinc/33/23/43/289332343.db2.gz WFADLTDLKZGSOQ-GQYGNMKRSA-N 1 1 347.503 2.901 40 0 EFABMO CN(C)c1ncc([C@H]2Nc3cc(Cl)ccc3C3=[NH+]CCCN32)cn1 ZINC000012188583 289436005 /nfs/dbraw/zinc/43/60/05/289436005.db2.gz VMUIXQAZTKSZCW-HNNXBMFYSA-N 1 1 342.834 2.773 40 0 EFABMO COc1ccc2c3c1OC1=C[C@H](C(C)(C)O)C=C4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000096316429 295278462 /nfs/dbraw/zinc/27/84/62/295278462.db2.gz JSOHAHOCGKYFFC-MFLXSWDHSA-N 1 1 339.435 2.797 40 0 biogenic,in-vitro EFABMO COc1ccccc1[C@@H]1C[N@@H+](CC2(O)CCCCC2)CCN1C(C)=O ZINC000257324210 295391921 /nfs/dbraw/zinc/39/19/21/295391921.db2.gz WNRRLMHFPFJOGI-SFHVURJKSA-N 1 1 346.471 2.596 40 0 EFABMO O=C(C[NH+]1CCCCC1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000008922054 295499486 /nfs/dbraw/zinc/49/94/86/295499486.db2.gz ULKSCPCIOPUXFC-UHFFFAOYSA-N 1 1 327.428 2.770 40 0 EFABMO Cc1cc(CCC(=O)NC(C)(C)CO)cc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366896 301269323 /nfs/dbraw/zinc/26/93/23/301269323.db2.gz PVPZSTQPCJTEET-GOSISDBHSA-N 1 1 347.503 2.755 40 0 EFABMO Cc1cc(CCC(=O)NC(C)(C)CO)cc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366895 301269356 /nfs/dbraw/zinc/26/93/56/301269356.db2.gz PVPZSTQPCJTEET-SFHVURJKSA-N 1 1 347.503 2.755 40 0 EFABMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245316820 302218091 /nfs/dbraw/zinc/21/80/91/302218091.db2.gz KQUQAUJKYOFORL-SJLPKXTDSA-N 1 1 336.501 2.804 40 0 EFABMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(Cc3cccnc3)CC1)C2 ZINC000329557072 311282950 /nfs/dbraw/zinc/28/29/50/311282950.db2.gz HPKMZLNHRCJAMG-SFHVURJKSA-N 1 1 338.455 2.630 40 0 EFABMO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@H](C)c3ccccn3)C2=O)c1 ZINC000090180089 472606615 /nfs/dbraw/zinc/60/66/15/472606615.db2.gz FXZJCDMGOJCMOL-FZKQIMNGSA-N 1 1 341.411 2.555 40 0 EFABMO CCOC[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000081494424 473208789 /nfs/dbraw/zinc/20/87/89/473208789.db2.gz LBWBXGHOSRDOOB-SJORKVTESA-N 1 1 337.508 2.852 40 0 EFABMO CCOC[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000081494423 473208825 /nfs/dbraw/zinc/20/88/25/473208825.db2.gz LBWBXGHOSRDOOB-DLBZAZTESA-N 1 1 337.508 2.852 40 0 EFABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000081792437 473253338 /nfs/dbraw/zinc/25/33/38/473253338.db2.gz NJNSQGPZYNBBMI-ZDUSSCGKSA-N 1 1 332.444 2.520 40 0 EFABMO O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccsc2)C1 ZINC000096038957 473258079 /nfs/dbraw/zinc/25/80/79/473258079.db2.gz JTMVNNLEECZKPL-DJIMGWMZSA-N 1 1 343.452 2.761 40 0 EFABMO c1cncc(OC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096039992 473259578 /nfs/dbraw/zinc/25/95/78/473259578.db2.gz HVRVWFYCULTIII-UXHICEINSA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)nc1 ZINC000096039989 473260123 /nfs/dbraw/zinc/26/01/23/473260123.db2.gz LKBXVLXHHFAEFN-VQTJNVASSA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)nc1 ZINC000096039988 473260208 /nfs/dbraw/zinc/26/02/08/473260208.db2.gz LKBXVLXHHFAEFN-WOJBJXKFSA-N 1 1 339.439 2.927 40 0 EFABMO c1cncc(OC[C@]23CCCO[C@H]2CC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096040061 473260503 /nfs/dbraw/zinc/26/05/03/473260503.db2.gz YXNOUDZYINEKGT-VQTJNVASSA-N 1 1 346.471 2.758 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040671 473261272 /nfs/dbraw/zinc/26/12/72/473261272.db2.gz MFOMPQVJNWRSBT-DBVUQKKJSA-N 1 1 341.455 2.786 40 0 EFABMO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2nccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040670 473261425 /nfs/dbraw/zinc/26/14/25/473261425.db2.gz CUXUVUJIHARONM-LESCRADOSA-N 1 1 347.484 2.848 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2nccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040670 473261432 /nfs/dbraw/zinc/26/14/32/473261432.db2.gz CUXUVUJIHARONM-LESCRADOSA-N 1 1 347.484 2.848 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000096041145 473261538 /nfs/dbraw/zinc/26/15/38/473261538.db2.gz SJMULVMVLQLBMI-YESZJQIVSA-N 1 1 334.485 2.516 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cccnc2)C[C@@H]2CCCO[C@H]12 ZINC000096040672 473261610 /nfs/dbraw/zinc/26/16/10/473261610.db2.gz YOLRVRYSFCBREC-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO[C@H]12 ZINC000096040672 473261622 /nfs/dbraw/zinc/26/16/22/473261622.db2.gz YOLRVRYSFCBREC-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@H]12 ZINC000096040672 473261631 /nfs/dbraw/zinc/26/16/31/473261631.db2.gz YOLRVRYSFCBREC-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@H]12 ZINC000096040672 473261638 /nfs/dbraw/zinc/26/16/38/473261638.db2.gz YOLRVRYSFCBREC-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@H]2CC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096040439 473261661 /nfs/dbraw/zinc/26/16/61/473261661.db2.gz IDSAUYJZXLFONT-AZUAARDMSA-N 1 1 346.471 2.758 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)nc1 ZINC000096040347 473261776 /nfs/dbraw/zinc/26/17/76/473261776.db2.gz PSWGALZZAPIARI-AZUAARDMSA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096040350 473261943 /nfs/dbraw/zinc/26/19/43/473261943.db2.gz YBAAHNBWFGSKGV-ICSRJNTNSA-N 1 1 339.439 2.927 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](CC2CCOCC2)C[C@@H]2CCCO[C@H]12 ZINC000096040678 473262312 /nfs/dbraw/zinc/26/23/12/473262312.db2.gz MNXOIORSYXLJPH-SXLOBPIMSA-N 1 1 348.487 2.617 40 0 EFABMO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CCc1ccc(OC)c(OC)c1 ZINC000096041993 473262742 /nfs/dbraw/zinc/26/27/42/473262742.db2.gz MQOKYEGFHXHOSA-VDZJLULYSA-N 1 1 335.444 2.515 40 0 EFABMO CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2CCc1ccc(OC)c(OC)c1 ZINC000096041993 473262748 /nfs/dbraw/zinc/26/27/48/473262748.db2.gz MQOKYEGFHXHOSA-VDZJLULYSA-N 1 1 335.444 2.515 40 0 EFABMO O=C(NCc1cccs1)[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096042796 473265024 /nfs/dbraw/zinc/26/50/24/473265024.db2.gz RYMPFUYACYXSRD-IAOVAPTHSA-N 1 1 346.452 2.637 40 0 EFABMO O=C(NCc1cccs1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096042796 473265028 /nfs/dbraw/zinc/26/50/28/473265028.db2.gz RYMPFUYACYXSRD-IAOVAPTHSA-N 1 1 346.452 2.637 40 0 EFABMO O=C(NCc1cccs1)[C@H]1C[C@@H]2CC[N@H+](C3CCCC3)C[C@H]2O1 ZINC000096042800 473265407 /nfs/dbraw/zinc/26/54/07/473265407.db2.gz WQWHUEGMFLBVOU-IAOVAPTHSA-N 1 1 334.485 2.786 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccoc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042492 473265776 /nfs/dbraw/zinc/26/57/76/473265776.db2.gz FNACVNWBFZRZOG-ZACQAIPSSA-N 1 1 334.441 2.993 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccoc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042492 473265781 /nfs/dbraw/zinc/26/57/81/473265781.db2.gz FNACVNWBFZRZOG-ZACQAIPSSA-N 1 1 334.441 2.993 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042555 473265954 /nfs/dbraw/zinc/26/59/54/473265954.db2.gz NJADOERGYDHRNC-NUJGCVRESA-N 1 1 345.468 2.795 40 0 EFABMO O=C(c1cscn1)N1CCC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096046539 473266329 /nfs/dbraw/zinc/26/63/29/473266329.db2.gz KKKULKPUPKYTMJ-UHFFFAOYSA-N 1 1 348.497 2.728 40 0 EFABMO Cc1nnc([C@@H]2C[C@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@H]3O2)[nH]1 ZINC000096045885 473267278 /nfs/dbraw/zinc/26/72/78/473267278.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 1 1 335.411 2.623 40 0 EFABMO Cc1nc([C@@H]2C[C@H]3C[N@H+](Cc4ccc5ccccc5n4)C[C@H]3O2)n[nH]1 ZINC000096045885 473267288 /nfs/dbraw/zinc/26/72/88/473267288.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 1 1 335.411 2.623 40 0 EFABMO Cc1nc([C@@H]2C[C@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@H]3O2)n[nH]1 ZINC000096045885 473267297 /nfs/dbraw/zinc/26/72/97/473267297.db2.gz KQHVTUWPIOUYSO-JCGIZDLHSA-N 1 1 335.411 2.623 40 0 EFABMO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096046667 473267910 /nfs/dbraw/zinc/26/79/10/473267910.db2.gz IKQFLBJGTKPZHW-UHFFFAOYSA-N 1 1 336.439 2.605 40 0 EFABMO CN(Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047973 473268390 /nfs/dbraw/zinc/26/83/90/473268390.db2.gz GHFCZYCTCSUJHM-SFHVURJKSA-N 1 1 341.455 2.930 40 0 EFABMO O=C(c1ccoc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096046958 473269039 /nfs/dbraw/zinc/26/90/39/473269039.db2.gz GXBNSYFJONHKRS-LJQANCHMSA-N 1 1 325.412 2.803 40 0 EFABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048015 473269736 /nfs/dbraw/zinc/26/97/36/473269736.db2.gz RIFUSDVGRDOEIG-SFHVURJKSA-N 1 1 341.455 2.930 40 0 EFABMO c1cc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048336 473271217 /nfs/dbraw/zinc/27/12/17/473271217.db2.gz YCWLQZVJFMNDNN-NVXWUHKLSA-N 1 1 330.457 2.774 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096048613 473271613 /nfs/dbraw/zinc/27/16/13/473271613.db2.gz LAYPXOUTCWGUNZ-LJQANCHMSA-N 1 1 325.412 2.689 40 0 EFABMO O=C1N(c2ccsc2)CC[C@@]12CCC[N@@H+](CC1CCOCC1)C2 ZINC000096048765 473271819 /nfs/dbraw/zinc/27/18/19/473271819.db2.gz AXBILVDNNMIDHB-GOSISDBHSA-N 1 1 334.485 2.994 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048353 473272164 /nfs/dbraw/zinc/27/21/64/473272164.db2.gz IYOXGKSTFBAMBO-HKUYNNGSSA-N 1 1 342.418 2.851 40 0 EFABMO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccco2)C3)nn1 ZINC000096048430 473272471 /nfs/dbraw/zinc/27/24/71/473272471.db2.gz HBVANDHTTWTLFS-CRAIPNDOSA-N 1 1 328.416 2.614 40 0 EFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052102 473275131 /nfs/dbraw/zinc/27/51/31/473275131.db2.gz GVFIONZMZNWWGQ-QGZVFWFLSA-N 1 1 334.435 2.579 40 0 EFABMO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096050207 473273381 /nfs/dbraw/zinc/27/33/81/473273381.db2.gz HFMJLHNLRBLXQZ-IBGZPJMESA-N 1 1 341.480 2.671 40 0 EFABMO Cc1nc(CN2C[C@]3(CC[N@H+](Cc4nccs4)C3)CC2=O)cs1 ZINC000096050905 473273413 /nfs/dbraw/zinc/27/34/13/473273413.db2.gz YOEJAZRCFHFTFJ-MRXNPFEDSA-N 1 1 348.497 2.533 40 0 EFABMO Cc1nc(CN2C[C@]3(CC[N@@H+](Cc4nccs4)C3)CC2=O)cs1 ZINC000096050905 473273421 /nfs/dbraw/zinc/27/34/21/473273421.db2.gz YOEJAZRCFHFTFJ-MRXNPFEDSA-N 1 1 348.497 2.533 40 0 EFABMO c1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049542 473274288 /nfs/dbraw/zinc/27/42/88/473274288.db2.gz NKCJUSHIGMYRGO-LJQANCHMSA-N 1 1 327.428 2.794 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](CC1CCOCC1)C2 ZINC000096050645 473274360 /nfs/dbraw/zinc/27/43/60/473274360.db2.gz QCUBQHUANMLDCE-FQEVSTJZSA-N 1 1 346.446 2.677 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050620 473274470 /nfs/dbraw/zinc/27/44/70/473274470.db2.gz PBBCMYNAENGKCG-GOSISDBHSA-N 1 1 345.443 2.907 40 0 EFABMO O=C([C@@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2)N1CCCC1 ZINC000096052186 473276198 /nfs/dbraw/zinc/27/61/98/473276198.db2.gz JUJRAZRCDMXFSD-SFHVURJKSA-N 1 1 346.446 2.677 40 0 EFABMO CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCCN(Cc1cccs1)C2 ZINC000096051977 473276751 /nfs/dbraw/zinc/27/67/51/473276751.db2.gz WQGHIKMQBOWTSA-WMZOPIPTSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCCN(Cc1cccs1)C2 ZINC000096051977 473276752 /nfs/dbraw/zinc/27/67/52/473276752.db2.gz WQGHIKMQBOWTSA-WMZOPIPTSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052101 473277067 /nfs/dbraw/zinc/27/70/67/473277067.db2.gz GVFIONZMZNWWGQ-KRWDZBQOSA-N 1 1 334.435 2.579 40 0 EFABMO C[C@@H](C[N@H+](C)C1CCN(C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466202 473434932 /nfs/dbraw/zinc/43/49/32/473434932.db2.gz ZOFNTYGVYUKALI-PQUAAJSLSA-N 1 1 344.565 2.642 40 0 EFABMO COc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)cc1 ZINC000096055895 473279689 /nfs/dbraw/zinc/27/96/89/473279689.db2.gz VOMCWQGSSHVXST-XUVXKRRUSA-N 1 1 340.423 2.506 40 0 EFABMO Cc1ccc(CN2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096055165 473278007 /nfs/dbraw/zinc/27/80/07/473278007.db2.gz SGCDWWBDNBSCNK-UYAOXDASSA-N 1 1 341.455 2.706 40 0 EFABMO Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096055165 473278009 /nfs/dbraw/zinc/27/80/09/473278009.db2.gz SGCDWWBDNBSCNK-UYAOXDASSA-N 1 1 341.455 2.706 40 0 EFABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096055909 473278052 /nfs/dbraw/zinc/27/80/52/473278052.db2.gz ZYYHTFJXKAOQCN-ICSRJNTNSA-N 1 1 345.487 2.567 40 0 EFABMO C[C@@H](C[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466202 473434939 /nfs/dbraw/zinc/43/49/39/473434939.db2.gz ZOFNTYGVYUKALI-PQUAAJSLSA-N 1 1 344.565 2.642 40 0 EFABMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1)c1ccco1 ZINC000096055374 473278419 /nfs/dbraw/zinc/27/84/19/473278419.db2.gz QBAAYXVAKDDLOV-YSVLISHTSA-N 1 1 346.452 2.751 40 0 EFABMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccs1)c1ccco1 ZINC000096055374 473278423 /nfs/dbraw/zinc/27/84/23/473278423.db2.gz QBAAYXVAKDDLOV-YSVLISHTSA-N 1 1 346.452 2.751 40 0 EFABMO c1cc(CN2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278828 /nfs/dbraw/zinc/27/88/28/473278828.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 1 1 343.496 2.866 40 0 EFABMO c1cc(CN2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278831 /nfs/dbraw/zinc/27/88/31/473278831.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 1 1 343.496 2.866 40 0 EFABMO c1cc(C[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278836 /nfs/dbraw/zinc/27/88/36/473278836.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 1 1 343.496 2.866 40 0 EFABMO c1cc(C[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cs1 ZINC000096055163 473278839 /nfs/dbraw/zinc/27/88/39/473278839.db2.gz LVIVNCKPUBJPHE-RTBURBONSA-N 1 1 343.496 2.866 40 0 EFABMO c1cc(C[N@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)cs1 ZINC000096055264 473279061 /nfs/dbraw/zinc/27/90/61/473279061.db2.gz MEMMVXVCBHUVHQ-HRCADAONSA-N 1 1 331.441 2.597 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)cs1 ZINC000096055264 473279067 /nfs/dbraw/zinc/27/90/67/473279067.db2.gz MEMMVXVCBHUVHQ-HRCADAONSA-N 1 1 331.441 2.597 40 0 EFABMO O=C(c1cscn1)N1CC[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096054145 473279908 /nfs/dbraw/zinc/27/99/08/473279908.db2.gz LFYXPLZGRFKCRM-HUUCEWRRSA-N 1 1 345.443 2.876 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057105 473280300 /nfs/dbraw/zinc/28/03/00/473280300.db2.gz OTXDUNHDKRBOJW-LESCRADOSA-N 1 1 334.485 2.658 40 0 EFABMO c1coc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1 ZINC000096056421 473281149 /nfs/dbraw/zinc/28/11/49/473281149.db2.gz HEMXYVSIMBJYHA-GUDVDZBRSA-N 1 1 335.444 2.845 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)s1 ZINC000096057166 473281316 /nfs/dbraw/zinc/28/13/16/473281316.db2.gz DMMLPDWWTKNFTC-NUJGCVRESA-N 1 1 348.512 2.667 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)cc1 ZINC000096057519 473281438 /nfs/dbraw/zinc/28/14/38/473281438.db2.gz UPODZLHYGFTDAF-BRWVUGGUSA-N 1 1 329.400 2.881 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096056373 473281501 /nfs/dbraw/zinc/28/15/01/473281501.db2.gz LKLGFQAYSVQUBZ-QRVBRYPASA-N 1 1 327.428 2.538 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)nc1 ZINC000096056427 473281654 /nfs/dbraw/zinc/28/16/54/473281654.db2.gz CHLYWWXZRSXVEM-VAMGGRTRSA-N 1 1 346.471 2.647 40 0 EFABMO C[N@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096057146 473282224 /nfs/dbraw/zinc/28/22/24/473282224.db2.gz WBKPBPASDMMBQR-LESCRADOSA-N 1 1 344.411 2.624 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096057146 473282227 /nfs/dbraw/zinc/28/22/27/473282227.db2.gz WBKPBPASDMMBQR-LESCRADOSA-N 1 1 344.411 2.624 40 0 EFABMO Fc1ccc(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)cc1 ZINC000096058720 473283764 /nfs/dbraw/zinc/28/37/64/473283764.db2.gz MAXWMUJMJIRRGG-UHFFFAOYSA-N 1 1 326.419 2.817 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096065530 473286944 /nfs/dbraw/zinc/28/69/44/473286944.db2.gz LBHNCFCVDKDCJH-BRWVUGGUSA-N 1 1 343.452 2.904 40 0 EFABMO COc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cc1 ZINC000096064015 473286977 /nfs/dbraw/zinc/28/69/77/473286977.db2.gz KCWJXMHSDQDNCA-RBUKOAKNSA-N 1 1 337.423 2.579 40 0 EFABMO Cc1ncsc1C[N@@H+]1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096065454 473287101 /nfs/dbraw/zinc/28/71/01/473287101.db2.gz MMKPTZAKVLFINC-YCPHGPKFSA-N 1 1 349.431 2.796 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096065454 473287108 /nfs/dbraw/zinc/28/71/08/473287108.db2.gz MMKPTZAKVLFINC-YCPHGPKFSA-N 1 1 349.431 2.796 40 0 EFABMO Cc1nc(CN2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)cs1 ZINC000096064575 473287914 /nfs/dbraw/zinc/28/79/14/473287914.db2.gz INIJWTOEUXVABK-KURKYZTESA-N 1 1 347.484 2.908 40 0 EFABMO Cc1nc(CN2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)cs1 ZINC000096064575 473287920 /nfs/dbraw/zinc/28/79/20/473287920.db2.gz INIJWTOEUXVABK-KURKYZTESA-N 1 1 347.484 2.908 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000096064579 473288125 /nfs/dbraw/zinc/28/81/25/473288125.db2.gz FWSIIRAJITWOJY-AQNXPRMDSA-N 1 1 341.455 2.847 40 0 EFABMO COCCO[C@@H]1CC[N@@H+](Cc2cccc(C)n2)[C@H]1Cc1ccncc1 ZINC000096069881 473288708 /nfs/dbraw/zinc/28/87/08/473288708.db2.gz CCNIJKMJVPWTTG-VQTJNVASSA-N 1 1 341.455 2.634 40 0 EFABMO Cc1cccc(N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)[nH+]1 ZINC000096074003 473291683 /nfs/dbraw/zinc/29/16/83/473291683.db2.gz ALZHRBYXKUMOOR-HXUWFJFHSA-N 1 1 336.439 2.804 40 0 EFABMO Cc1occc1C(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096087581 473292975 /nfs/dbraw/zinc/29/29/75/473292975.db2.gz SDMGQKMEXPFXCZ-ZDUSSCGKSA-N 1 1 330.432 2.842 40 0 EFABMO Cc1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC000096081480 473294071 /nfs/dbraw/zinc/29/40/71/473294071.db2.gz JVVGHHGMZJBBJE-IAGOWNOFSA-N 1 1 326.419 2.882 40 0 EFABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccccn3)C[C@H]12 ZINC000096100389 473296761 /nfs/dbraw/zinc/29/67/61/473296761.db2.gz DPDSYFWIKNYOCV-LEWJYISDSA-N 1 1 335.451 2.846 40 0 EFABMO Cc1cc(C[NH+]2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)no1 ZINC000096106230 473298811 /nfs/dbraw/zinc/29/88/11/473298811.db2.gz NZGQMQUNRFHWFH-QGZVFWFLSA-N 1 1 343.427 2.828 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107838 473300417 /nfs/dbraw/zinc/30/04/17/473300417.db2.gz ANCCNKHWGCSPNM-PBHICJAKSA-N 1 1 331.441 2.659 40 0 EFABMO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccncc1)C2 ZINC000096107398 473301016 /nfs/dbraw/zinc/30/10/16/473301016.db2.gz FVUCJSTVWAOMGA-APWZRJJASA-N 1 1 343.402 2.818 40 0 EFABMO Fc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1 ZINC000096108967 473301454 /nfs/dbraw/zinc/30/14/54/473301454.db2.gz XTMIDILHYGEVSR-UYAOXDASSA-N 1 1 342.414 2.886 40 0 EFABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc3ccccc3o1)CC[C@H]2OC ZINC000096108534 473301641 /nfs/dbraw/zinc/30/16/41/473301641.db2.gz LAQBZIRNBGCPRA-ZMSDIMECSA-N 1 1 328.412 2.614 40 0 EFABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)co1 ZINC000096110404 473303265 /nfs/dbraw/zinc/30/32/65/473303265.db2.gz POVBPWZBTCSEDF-MOPGFXCFSA-N 1 1 328.412 2.872 40 0 EFABMO Cn1cc(-c2cc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)on2)cn1 ZINC000185023972 473303957 /nfs/dbraw/zinc/30/39/57/473303957.db2.gz MZIYYOPIOIVPCF-PBHICJAKSA-N 1 1 342.399 2.756 40 0 EFABMO c1cncc(OC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096110374 473304015 /nfs/dbraw/zinc/30/40/15/473304015.db2.gz SGZKZWQFLKWERW-MOPGFXCFSA-N 1 1 325.412 2.537 40 0 EFABMO CC(C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000096111862 473305381 /nfs/dbraw/zinc/30/53/81/473305381.db2.gz LBQJLNOHKUWOTD-WMZOPIPTSA-N 1 1 337.423 2.859 40 0 biogenic,in-vitro EFABMO CC(C)[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 ZINC000096111862 473305388 /nfs/dbraw/zinc/30/53/88/473305388.db2.gz LBQJLNOHKUWOTD-WMZOPIPTSA-N 1 1 337.423 2.859 40 0 biogenic,in-vitro EFABMO CC(C)[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111834 473305693 /nfs/dbraw/zinc/30/56/93/473305693.db2.gz ZYCOKDOPBYPWFY-WMZOPIPTSA-N 1 1 337.423 2.859 40 0 biogenic,in-vitro EFABMO CC(C)[N@H+]1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 ZINC000096111834 473305701 /nfs/dbraw/zinc/30/57/01/473305701.db2.gz ZYCOKDOPBYPWFY-WMZOPIPTSA-N 1 1 337.423 2.859 40 0 biogenic,in-vitro EFABMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096159275 473319616 /nfs/dbraw/zinc/31/96/16/473319616.db2.gz ZSODQLGYVHKSJY-UHFFFAOYSA-N 1 1 341.434 2.892 40 0 EFABMO Fc1cnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096158050 473317462 /nfs/dbraw/zinc/31/74/62/473317462.db2.gz DXDLKOYJWDPSMG-SFHVURJKSA-N 1 1 327.407 2.503 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096158145 473318275 /nfs/dbraw/zinc/31/82/75/473318275.db2.gz ZDVXTQFJMCPMSO-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096158145 473318284 /nfs/dbraw/zinc/31/82/84/473318284.db2.gz ZDVXTQFJMCPMSO-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1cccnc1)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096158094 473318314 /nfs/dbraw/zinc/31/83/14/473318314.db2.gz FLMWLDZPTLIDBY-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1cccnc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096158094 473318320 /nfs/dbraw/zinc/31/83/20/473318320.db2.gz FLMWLDZPTLIDBY-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO Fc1cnc(N2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158307 473318436 /nfs/dbraw/zinc/31/84/36/473318436.db2.gz WNKXQMLUKLXBNG-GOSISDBHSA-N 1 1 327.407 2.503 40 0 EFABMO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)CN(C)C)CC3)CC2)cc1 ZINC000096158426 473318671 /nfs/dbraw/zinc/31/86/71/473318671.db2.gz XCSDXEHAGZPBNH-UHFFFAOYSA-N 1 1 343.515 2.761 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096158144 473318681 /nfs/dbraw/zinc/31/86/81/473318681.db2.gz ZDVXTQFJMCPMSO-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096158144 473318687 /nfs/dbraw/zinc/31/86/87/473318687.db2.gz ZDVXTQFJMCPMSO-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096159657 473319345 /nfs/dbraw/zinc/31/93/45/473319345.db2.gz DOVXFUYXEADFLK-FQEVSTJZSA-N 1 1 339.414 2.845 40 0 EFABMO Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3ccccn3)CC[N@H+]2C1 ZINC000096183568 473324903 /nfs/dbraw/zinc/32/49/03/473324903.db2.gz MVXXMXUNPGLFGX-RBUKOAKNSA-N 1 1 341.430 2.696 40 0 EFABMO O=C(c1cccc(F)c1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184445 473325779 /nfs/dbraw/zinc/32/57/79/473325779.db2.gz DHTOENQOHBSDHP-ZWKOTPCHSA-N 1 1 332.419 2.541 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC000096186114 473326021 /nfs/dbraw/zinc/32/60/21/473326021.db2.gz NYUAIQZRCMCBND-JYJNAYRXSA-N 1 1 331.441 2.739 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC000096186114 473326027 /nfs/dbraw/zinc/32/60/27/473326027.db2.gz NYUAIQZRCMCBND-JYJNAYRXSA-N 1 1 331.441 2.739 40 0 EFABMO Cc1occc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000096184749 473326436 /nfs/dbraw/zinc/32/64/36/473326436.db2.gz LFBWBGWQVQIJOW-ZWKOTPCHSA-N 1 1 325.412 2.780 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1OC[C@@H]2CCN(C(=O)NCc3ccccc3)C[C@@H]21 ZINC000096185412 473326573 /nfs/dbraw/zinc/32/65/73/473326573.db2.gz YAVNEWBXNVILMV-GBESFXJTSA-N 1 1 345.487 2.573 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096186129 473326588 /nfs/dbraw/zinc/32/65/88/473326588.db2.gz RYUXWTXWAILVHM-UFYCRDLUSA-N 1 1 339.439 2.815 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185972 473326836 /nfs/dbraw/zinc/32/68/36/473326836.db2.gz GHOZOIGSCWKQGO-QRVBRYPASA-N 1 1 327.428 2.538 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185972 473326841 /nfs/dbraw/zinc/32/68/41/473326841.db2.gz GHOZOIGSCWKQGO-QRVBRYPASA-N 1 1 327.428 2.538 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@@H]3O[C@H](COCC4CCOCC4)CC[C@@H]32)c1 ZINC000096186098 473326946 /nfs/dbraw/zinc/32/69/46/473326946.db2.gz JMLYYQHUMWALAU-UFYCRDLUSA-N 1 1 346.471 2.647 40 0 EFABMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccsc2)n1 ZINC000096184193 473327074 /nfs/dbraw/zinc/32/70/74/473327074.db2.gz XKDKAEHIVITBTB-DLBZAZTESA-N 1 1 327.453 2.827 40 0 EFABMO O=C(c1ccccc1F)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184464 473327215 /nfs/dbraw/zinc/32/72/15/473327215.db2.gz AYKDLUCKTDPADG-ZWKOTPCHSA-N 1 1 332.419 2.541 40 0 EFABMO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21)c1ccco1 ZINC000096185472 473327475 /nfs/dbraw/zinc/32/74/75/473327475.db2.gz NSYVGADPZLYZTJ-YQQAZPJKSA-N 1 1 346.452 2.608 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)nc1 ZINC000096186709 473328382 /nfs/dbraw/zinc/32/83/82/473328382.db2.gz CHLYWWXZRSXVEM-AABGKKOBSA-N 1 1 346.471 2.647 40 0 EFABMO Cc1cccc(CO[C@H]2C[N@@H+](CC3CCOCC3)[C@@H]3CCCO[C@@H]32)n1 ZINC000096187151 473329357 /nfs/dbraw/zinc/32/93/57/473329357.db2.gz MGUFJSHYUGNURP-AABGKKOBSA-N 1 1 346.471 2.565 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)o1 ZINC000096196710 473332265 /nfs/dbraw/zinc/33/22/65/473332265.db2.gz LXKXSQONELLZMG-UHFFFAOYSA-N 1 1 349.434 2.794 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)o1 ZINC000096200689 473335048 /nfs/dbraw/zinc/33/50/48/473335048.db2.gz RWLYPCDITKTCEZ-OALUTQOASA-N 1 1 329.444 2.934 40 0 EFABMO Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)NC(C)C)C2 ZINC000096199097 473335923 /nfs/dbraw/zinc/33/59/23/473335923.db2.gz OKPHHVQPTABWMN-UHFFFAOYSA-N 1 1 339.443 2.725 40 0 EFABMO Cc1cccc(CN2CCOC[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)n1 ZINC000096202134 473336872 /nfs/dbraw/zinc/33/68/72/473336872.db2.gz AZZVLKHUSNNHAE-HXUWFJFHSA-N 1 1 341.455 2.708 40 0 EFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C ZINC000096201222 473336920 /nfs/dbraw/zinc/33/69/20/473336920.db2.gz ZIOQJJCCSAJNEC-CQSZACIVSA-N 1 1 346.500 2.931 40 0 EFABMO c1cc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096202100 473338080 /nfs/dbraw/zinc/33/80/80/473338080.db2.gz GOFIWLHKZLSECT-IBGZPJMESA-N 1 1 343.496 2.868 40 0 EFABMO Cc1ncsc1C[N@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC000096207120 473343039 /nfs/dbraw/zinc/34/30/39/473343039.db2.gz XSTURMSANDDMGW-OAHLLOKOSA-N 1 1 332.473 2.707 40 0 EFABMO Cc1ncsc1C[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC000096207120 473343045 /nfs/dbraw/zinc/34/30/45/473343045.db2.gz XSTURMSANDDMGW-OAHLLOKOSA-N 1 1 332.473 2.707 40 0 EFABMO O=C(NC[C@@H]1CCC[C@]2(CC[N@@H+](CC3CC3)C2)O1)c1ccsc1 ZINC000096207813 473343269 /nfs/dbraw/zinc/34/32/69/473343269.db2.gz JMKIGXDKVXNKPS-FUHWJXTLSA-N 1 1 334.485 2.902 40 0 EFABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096208184 473343729 /nfs/dbraw/zinc/34/37/29/473343729.db2.gz AAJQEBCHQCWKDK-FUHWJXTLSA-N 1 1 349.500 2.677 40 0 EFABMO CCOC[C@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)[N@H+]1C ZINC000096206687 473340301 /nfs/dbraw/zinc/34/03/01/473340301.db2.gz QBUMIMSOMYQVLY-GOSISDBHSA-N 1 1 330.472 2.721 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccnc2)o1 ZINC000096205762 473340500 /nfs/dbraw/zinc/34/05/00/473340500.db2.gz IPMIQMCOTPFERN-QZTJIDSGSA-N 1 1 325.412 2.749 40 0 EFABMO CCOC[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@H+]1CC1CC1 ZINC000096206429 473340958 /nfs/dbraw/zinc/34/09/58/473340958.db2.gz OANOYBGFFNACSH-IBGZPJMESA-N 1 1 346.519 2.666 40 0 EFABMO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096206210 473341027 /nfs/dbraw/zinc/34/10/27/473341027.db2.gz ZYRRSLACTMKSED-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CN2CCOCC2)O3)c1 ZINC000096207021 473341774 /nfs/dbraw/zinc/34/17/74/473341774.db2.gz AXDLWAAJHKDVQF-SJLPKXTDSA-N 1 1 336.501 2.594 40 0 EFABMO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2O1)NCc1ccco1 ZINC000096207696 473342549 /nfs/dbraw/zinc/34/25/49/473342549.db2.gz SPJOIQNLNWSBCH-YSVLISHTSA-N 1 1 346.452 2.637 40 0 EFABMO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccco1)C2 ZINC000096208579 473345025 /nfs/dbraw/zinc/34/50/25/473345025.db2.gz GBXDPMCSQUDHKN-AEFFLSMTSA-N 1 1 332.375 2.874 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]21)Nc1cccnc1 ZINC000096208674 473345502 /nfs/dbraw/zinc/34/55/02/473345502.db2.gz IDNVGSQIPKAFTO-KBAYOESNSA-N 1 1 341.411 2.540 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]12)N1CCCC1 ZINC000096209127 473345755 /nfs/dbraw/zinc/34/57/55/473345755.db2.gz ZMVACJKZOQNMGG-BRWVUGGUSA-N 1 1 334.485 2.598 40 0 EFABMO O=C(c1ccc[nH]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215775 473347429 /nfs/dbraw/zinc/34/74/29/473347429.db2.gz APARZEMNPFVSRR-KRWDZBQOSA-N 1 1 330.457 2.600 40 0 EFABMO O=C(c1ccc[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215775 473347433 /nfs/dbraw/zinc/34/74/33/473347433.db2.gz APARZEMNPFVSRR-KRWDZBQOSA-N 1 1 330.457 2.600 40 0 EFABMO Cc1noc([C@H]2CO[C@@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@H]23)n1 ZINC000096217093 473348766 /nfs/dbraw/zinc/34/87/66/473348766.db2.gz VNTISFADIIZDNB-SOLBZPMBSA-N 1 1 336.395 2.541 40 0 EFABMO COc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096217772 473349526 /nfs/dbraw/zinc/34/95/26/473349526.db2.gz SXVCVOXKVRCOHE-HQRMLTQVSA-N 1 1 340.423 2.901 40 0 EFABMO COc1ccccc1C[N@H+]1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 ZINC000096217772 473349534 /nfs/dbraw/zinc/34/95/34/473349534.db2.gz SXVCVOXKVRCOHE-HQRMLTQVSA-N 1 1 340.423 2.901 40 0 EFABMO COc1ccccc1C[N@H+]1C[C@H]2OC[C@@H](COc3ccncc3)[C@H]2C1 ZINC000096217197 473350592 /nfs/dbraw/zinc/35/05/92/473350592.db2.gz NPCQDDFTBQNUTF-YVWKXTFCSA-N 1 1 340.423 2.616 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)n1 ZINC000096219166 473351373 /nfs/dbraw/zinc/35/13/73/473351373.db2.gz FAJHCCKMABPPJX-QFBILLFUSA-N 1 1 342.418 2.770 40 0 EFABMO c1ccc(CC[N@H+]2CC[C@]3(C2)C[C@H](Nc2ncccn2)CCO3)cc1 ZINC000096219224 473352176 /nfs/dbraw/zinc/35/21/76/473352176.db2.gz PMBKMRCCAYEXLR-UYAOXDASSA-N 1 1 338.455 2.755 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096219178 473352260 /nfs/dbraw/zinc/35/22/60/473352260.db2.gz SGPXYXMELVKMCZ-KBXCAEBGSA-N 1 1 346.406 2.671 40 0 EFABMO CN(C)C(=O)N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CC3CC3)C2)CC1 ZINC000096220565 473353793 /nfs/dbraw/zinc/35/37/93/473353793.db2.gz MPXLAEHUTFSVCL-SFHVURJKSA-N 1 1 349.519 2.661 40 0 EFABMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000096221041 473353920 /nfs/dbraw/zinc/35/39/20/473353920.db2.gz LDEIXYRYWCSDGR-SFHVURJKSA-N 1 1 328.456 2.679 40 0 EFABMO Cc1cccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCC2CC2)c1 ZINC000096220036 473353956 /nfs/dbraw/zinc/35/39/56/473353956.db2.gz NVOIZOWVZIMJKW-PZJWPPBQSA-N 1 1 342.483 2.816 40 0 EFABMO CN(C)C(=O)N1CCC2(C[C@H](COCC3CC3)[N@@H+](CC3CC3)C2)CC1 ZINC000096220564 473354024 /nfs/dbraw/zinc/35/40/24/473354024.db2.gz MPXLAEHUTFSVCL-GOSISDBHSA-N 1 1 349.519 2.661 40 0 EFABMO CC[N@@H+](C)[C@@H]1COC2(C1)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000096220809 473354045 /nfs/dbraw/zinc/35/40/45/473354045.db2.gz SGPLQSCZUYAFIX-KRWDZBQOSA-N 1 1 341.455 2.883 40 0 EFABMO Cc1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCC2CC2)c(C)o1 ZINC000096220066 473354244 /nfs/dbraw/zinc/35/42/44/473354244.db2.gz GXRXYWGUFNCMDB-FXAWDEMLSA-N 1 1 346.471 2.717 40 0 EFABMO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096220521 473354681 /nfs/dbraw/zinc/35/46/81/473354681.db2.gz YSSJDDZZQRIEKR-PMACEKPBSA-N 1 1 346.471 2.648 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C[C@H](Nc3ccccc3)CO2)C1 ZINC000096222696 473354800 /nfs/dbraw/zinc/35/48/00/473354800.db2.gz QVYJAAIUHHELSC-PKOBYXMFSA-N 1 1 326.444 2.656 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@@]2(C[C@H](Nc3ccccc3)CO2)C1 ZINC000096222696 473354804 /nfs/dbraw/zinc/35/48/04/473354804.db2.gz QVYJAAIUHHELSC-PKOBYXMFSA-N 1 1 326.444 2.656 40 0 EFABMO Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4ccsc4)C3)C2=O)cn1 ZINC000096224625 473354925 /nfs/dbraw/zinc/35/49/25/473354925.db2.gz WZNLTOYESMDDDH-QGZVFWFLSA-N 1 1 330.457 2.501 40 0 EFABMO Fc1cccnc1N[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096222985 473355022 /nfs/dbraw/zinc/35/50/22/473355022.db2.gz GSSPPWWXHLZPLB-LPHOPBHVSA-N 1 1 342.418 2.851 40 0 EFABMO O=C1N(c2cncnc2)CC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096224581 473355324 /nfs/dbraw/zinc/35/53/24/473355324.db2.gz NFXLDMDEUSXKIS-LJQANCHMSA-N 1 1 340.402 2.635 40 0 EFABMO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096224561 473355366 /nfs/dbraw/zinc/35/53/66/473355366.db2.gz NDMXGLVRUUAIBV-QGZVFWFLSA-N 1 1 328.441 2.557 40 0 EFABMO O=C([C@@H]1CCC2(CC[NH+](Cc3nccs3)CC2)CO1)N1CCCC1 ZINC000096224927 473355417 /nfs/dbraw/zinc/35/54/17/473355417.db2.gz BHUQCEMVMQVWKO-HNNXBMFYSA-N 1 1 349.500 2.527 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cncn2C)C3)c1 ZINC000096222748 473355822 /nfs/dbraw/zinc/35/58/22/473355822.db2.gz GABAZHLYABIGGI-AZUAARDMSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NCC4CC4)=NO3)C2)cc1C ZINC000096225501 473356927 /nfs/dbraw/zinc/35/69/27/473356927.db2.gz CFHGIPVVXALZOQ-HXUWFJFHSA-N 1 1 341.455 2.550 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243980 473362731 /nfs/dbraw/zinc/36/27/31/473362731.db2.gz HCTCRCGJIQWVLP-HXUWFJFHSA-N 1 1 338.455 2.525 40 0 EFABMO c1csc(N2CCOC[C@@]3(CCC[N@H+](Cc4cccnc4)C3)C2)n1 ZINC000096229234 473358663 /nfs/dbraw/zinc/35/86/63/473358663.db2.gz DFBFNUDYBGWTEC-GOSISDBHSA-N 1 1 344.484 2.657 40 0 EFABMO O=C(Cc1ccsc1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228806 473358900 /nfs/dbraw/zinc/35/89/00/473358900.db2.gz RQVVAZQGUQZZEC-IBGZPJMESA-N 1 1 348.512 2.642 40 0 EFABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228863 473359486 /nfs/dbraw/zinc/35/94/86/473359486.db2.gz DVBFFPDRUBGLLJ-FQEVSTJZSA-N 1 1 341.455 2.742 40 0 EFABMO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccsc1)c1ccco1 ZINC000096250304 473364133 /nfs/dbraw/zinc/36/41/33/473364133.db2.gz FCYHZPAMQDFLAJ-YQQAZPJKSA-N 1 1 346.452 2.751 40 0 EFABMO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccsc1)c1ccco1 ZINC000096250304 473364141 /nfs/dbraw/zinc/36/41/41/473364141.db2.gz FCYHZPAMQDFLAJ-YQQAZPJKSA-N 1 1 346.452 2.751 40 0 EFABMO Cc1nc(-c2cnn(C)c2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096253925 473364613 /nfs/dbraw/zinc/36/46/13/473364613.db2.gz WCASOMLSCPQDHN-UHFFFAOYSA-N 1 1 337.402 2.883 40 0 EFABMO Cc1nc(-c2cnn(C)c2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096253925 473364620 /nfs/dbraw/zinc/36/46/20/473364620.db2.gz WCASOMLSCPQDHN-UHFFFAOYSA-N 1 1 337.402 2.883 40 0 EFABMO c1coc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000096250036 473365484 /nfs/dbraw/zinc/36/54/84/473365484.db2.gz XFXMDVGHRVWYCK-QXAKKESOSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000096250036 473365493 /nfs/dbraw/zinc/36/54/93/473365493.db2.gz XFXMDVGHRVWYCK-QXAKKESOSA-N 1 1 328.412 2.871 40 0 EFABMO COc1ccc2c3c1O[C@@]1(C)C(OC)=CC=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000096316372 473375507 /nfs/dbraw/zinc/37/55/07/473375507.db2.gz KMOSBWXKMZKJPU-UAOJZALGSA-N 1 1 325.408 2.815 40 0 biogenic,in-vitro EFABMO Cc1cccc(C)c1OCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000096407745 473385867 /nfs/dbraw/zinc/38/58/67/473385867.db2.gz NHIAWQGILCDSGU-HXUWFJFHSA-N 1 1 345.531 2.784 40 0 EFABMO O=C(C[N@@H+](C[C@@H](O)c1ccccc1)C1CC1)NCc1cccs1 ZINC000096410358 473389299 /nfs/dbraw/zinc/38/92/99/473389299.db2.gz WYTFVQPRSZEBJW-QGZVFWFLSA-N 1 1 330.453 2.562 40 0 EFABMO O=C(C[N@H+](C[C@@H](O)c1ccccc1)C1CC1)NCc1cccs1 ZINC000096410358 473389309 /nfs/dbraw/zinc/38/93/09/473389309.db2.gz WYTFVQPRSZEBJW-QGZVFWFLSA-N 1 1 330.453 2.562 40 0 EFABMO C[N@H+]1CCC[C@@H](COC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000177939 471331765 /nfs/dbraw/zinc/33/17/65/471331765.db2.gz BIMNSIZSDYSRHF-QGZVFWFLSA-N 1 1 339.435 2.808 40 0 EFABMO CC[N@H+]1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390428 471354773 /nfs/dbraw/zinc/35/47/73/471354773.db2.gz OJYOTLHNSMYONM-LJQANCHMSA-N 1 1 339.435 2.950 40 0 EFABMO O=C(C[NH+]1CCCC1)Nc1ccccc1-c1nc2ccccc2[nH]c1=O ZINC000004320302 471464231 /nfs/dbraw/zinc/46/42/31/471464231.db2.gz FBQBNFWCXIJQLL-UHFFFAOYSA-N 1 1 348.406 2.624 40 0 EFABMO COc1ccc(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3[C@H]2C)cc1OC ZINC000005758929 471520540 /nfs/dbraw/zinc/52/05/40/471520540.db2.gz GMTIVZXAIAADFX-UAGQMJEPSA-N 1 1 346.471 2.625 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000006953141 471580559 /nfs/dbraw/zinc/58/05/59/471580559.db2.gz GTGLRJXSTVNYAM-SNVBAGLBSA-N 1 1 344.242 2.532 40 0 EFABMO CC[N@H+](CC(N)=O)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000007804757 471638880 /nfs/dbraw/zinc/63/88/80/471638880.db2.gz ZHKMPWARKJSXIJ-UHFFFAOYSA-N 1 1 334.441 2.643 40 0 EFABMO CC[N@@H+](CC(N)=O)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000007804757 471638885 /nfs/dbraw/zinc/63/88/85/471638885.db2.gz ZHKMPWARKJSXIJ-UHFFFAOYSA-N 1 1 334.441 2.643 40 0 EFABMO CC(C)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000008559487 471694410 /nfs/dbraw/zinc/69/44/10/471694410.db2.gz XUKODHOJSYWPDW-SJLPKXTDSA-N 1 1 344.455 2.679 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000012116897 471765373 /nfs/dbraw/zinc/76/53/73/471765373.db2.gz KFZOWEXKKGFRQR-ZDUSSCGKSA-N 1 1 339.399 2.681 40 0 EFABMO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000012146010 471766643 /nfs/dbraw/zinc/76/66/43/471766643.db2.gz YOVOABWIHLEFKK-UHFFFAOYSA-N 1 1 340.427 2.545 40 0 EFABMO COc1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)ccc1O ZINC000012185618 471768037 /nfs/dbraw/zinc/76/80/37/471768037.db2.gz HDSNZJFTYXKBRK-ZDUSSCGKSA-N 1 1 345.395 2.513 40 0 EFABMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)cc1O ZINC000012185621 471768178 /nfs/dbraw/zinc/76/81/78/471768178.db2.gz GABMPNXETZOVJX-CYBMUJFWSA-N 1 1 345.395 2.513 40 0 EFABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000012292391 471770902 /nfs/dbraw/zinc/77/09/02/471770902.db2.gz IEXJXWCUJQTYAV-UYAOXDASSA-N 1 1 345.414 2.851 40 0 EFABMO CC(C)OC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)[N@H+]2C ZINC000013447516 471829728 /nfs/dbraw/zinc/82/97/28/471829728.db2.gz NGJWCZYRIKMKEP-VVLHAWIVSA-N 1 1 331.412 2.646 40 0 in-vitro EFABMO S=C(NCc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013828040 471843899 /nfs/dbraw/zinc/84/38/99/471843899.db2.gz HHDVGHYAFWHNBZ-UHFFFAOYSA-N 1 1 325.481 2.879 40 0 EFABMO Cc1ccsc1C[N@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019238712 471978343 /nfs/dbraw/zinc/97/83/43/471978343.db2.gz UCDYRIPHDPZVEZ-UHFFFAOYSA-N 1 1 331.466 2.886 40 0 EFABMO Cc1ccsc1C[N@@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019238712 471978347 /nfs/dbraw/zinc/97/83/47/471978347.db2.gz UCDYRIPHDPZVEZ-UHFFFAOYSA-N 1 1 331.466 2.886 40 0 EFABMO c1ccc([C@@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)nc3)C2)cc1 ZINC000019369960 471980025 /nfs/dbraw/zinc/98/00/25/471980025.db2.gz VDAIANPEOGZTFZ-LJQANCHMSA-N 1 1 338.455 2.693 40 0 EFABMO CCn1cncc1CN(Cc1ccccn1)C[C@H]1CCC[N@H+]1CC ZINC000019578563 471981647 /nfs/dbraw/zinc/98/16/47/471981647.db2.gz VRODXLXMQPMBSJ-GOSISDBHSA-N 1 1 327.476 2.785 40 0 EFABMO Cc1nc(-c2cncnc2[C@@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000019693862 471983108 /nfs/dbraw/zinc/98/31/08/471983108.db2.gz CBORJYXZFBQGNH-MRXNPFEDSA-N 1 1 335.411 2.867 40 0 EFABMO CC[N@@H+](C)[C@@H]1CN(Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704018 471983289 /nfs/dbraw/zinc/98/32/89/471983289.db2.gz ADCYZWCXILNYCH-KRWDZBQOSA-N 1 1 331.508 2.772 40 0 EFABMO CCN(C)[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704018 471983293 /nfs/dbraw/zinc/98/32/93/471983293.db2.gz ADCYZWCXILNYCH-KRWDZBQOSA-N 1 1 331.508 2.772 40 0 EFABMO CCN(C)[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704018 471983297 /nfs/dbraw/zinc/98/32/97/471983297.db2.gz ADCYZWCXILNYCH-KRWDZBQOSA-N 1 1 331.508 2.772 40 0 EFABMO Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cccs2)n1 ZINC000035426042 471997117 /nfs/dbraw/zinc/99/71/17/471997117.db2.gz WARQNZMYHVROOH-LBPRGKRZSA-N 1 1 328.401 2.507 40 0 biogenic,in-vitro EFABMO Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2cccs2)n1 ZINC000035426042 471997121 /nfs/dbraw/zinc/99/71/21/471997121.db2.gz WARQNZMYHVROOH-LBPRGKRZSA-N 1 1 328.401 2.507 40 0 biogenic,in-vitro EFABMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000036020579 471997968 /nfs/dbraw/zinc/99/79/68/471997968.db2.gz FHLKLXPKPYINIM-PKOBYXMFSA-N 1 1 346.471 2.775 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000036020579 471997975 /nfs/dbraw/zinc/99/79/75/471997975.db2.gz FHLKLXPKPYINIM-PKOBYXMFSA-N 1 1 346.471 2.775 40 0 EFABMO Cc1ccccc1CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000024762042 472066219 /nfs/dbraw/zinc/06/62/19/472066219.db2.gz YUKNJDZQJKZHEY-IAGOWNOFSA-N 1 1 347.503 2.725 40 0 EFABMO COC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000042567139 472146744 /nfs/dbraw/zinc/14/67/44/472146744.db2.gz CWDRWGBOYFEVCX-JTQLQIEISA-N 1 1 337.420 2.873 40 0 EFABMO CC(C)c1[nH+]ccn1CC1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000085436362 472248114 /nfs/dbraw/zinc/24/81/14/472248114.db2.gz CKUYFKCEIPYITE-UHFFFAOYSA-N 1 1 348.472 2.502 40 0 EFABMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000085468216 472251657 /nfs/dbraw/zinc/25/16/57/472251657.db2.gz VJCKBMUMTUHZDD-OAHLLOKOSA-N 1 1 349.906 2.828 40 0 EFABMO Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000056290919 472301933 /nfs/dbraw/zinc/30/19/33/472301933.db2.gz YEQVYPSKRSWZLH-UHFFFAOYSA-N 1 1 337.423 2.635 40 0 EFABMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1Cc2ccccc2O1 ZINC000029897716 472302915 /nfs/dbraw/zinc/30/29/15/472302915.db2.gz TYRRMCAHGPYUKT-QFBILLFUSA-N 1 1 340.423 2.927 40 0 EFABMO CC[NH+]1CCN(CCCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000031091906 472361751 /nfs/dbraw/zinc/36/17/51/472361751.db2.gz BGMJQNIRAJTEAV-UHFFFAOYSA-N 1 1 338.883 2.879 40 0 EFABMO C[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)[N@@H+]1CCc2sccc2C1 ZINC000032428805 472432514 /nfs/dbraw/zinc/43/25/14/472432514.db2.gz YJEFIUKQLIZMNX-SUMWQHHRSA-N 1 1 342.464 2.615 40 0 EFABMO C[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)[N@H+]1CCc2sccc2C1 ZINC000032428805 472432522 /nfs/dbraw/zinc/43/25/22/472432522.db2.gz YJEFIUKQLIZMNX-SUMWQHHRSA-N 1 1 342.464 2.615 40 0 EFABMO Cc1cccc(Cl)c1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000097095199 472443509 /nfs/dbraw/zinc/44/35/09/472443509.db2.gz WBAZZNRVPWCZOZ-UHFFFAOYSA-N 1 1 339.867 2.959 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000057592588 472452753 /nfs/dbraw/zinc/45/27/53/472452753.db2.gz ZSASHYPADQKGFJ-HNNXBMFYSA-N 1 1 336.482 2.609 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000057592588 472452761 /nfs/dbraw/zinc/45/27/61/472452761.db2.gz ZSASHYPADQKGFJ-HNNXBMFYSA-N 1 1 336.482 2.609 40 0 EFABMO Cc1cc(F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000045744730 472453063 /nfs/dbraw/zinc/45/30/63/472453063.db2.gz YVQCLFWAHQFHGW-CYBMUJFWSA-N 1 1 328.453 2.534 40 0 EFABMO COc1cccc(-n2cccc2C[N@H+](CCO)Cc2cccnc2)c1 ZINC000057796956 472474498 /nfs/dbraw/zinc/47/44/98/472474498.db2.gz XHRFUPNMLUCLKU-UHFFFAOYSA-N 1 1 337.423 2.875 40 0 EFABMO COc1cccc(-n2cccc2C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000057796956 472474507 /nfs/dbraw/zinc/47/45/07/472474507.db2.gz XHRFUPNMLUCLKU-UHFFFAOYSA-N 1 1 337.423 2.875 40 0 EFABMO COc1ccccc1C[N@@H+](Cc1cnn(C)c1C)C[C@H]1CCCO1 ZINC000057811346 472477807 /nfs/dbraw/zinc/47/78/07/472477807.db2.gz MPMKDMLHFNDWHF-GOSISDBHSA-N 1 1 329.444 2.918 40 0 EFABMO COc1ccccc1C[N@H+](Cc1cnn(C)c1C)C[C@H]1CCCO1 ZINC000057811346 472477811 /nfs/dbraw/zinc/47/78/11/472477811.db2.gz MPMKDMLHFNDWHF-GOSISDBHSA-N 1 1 329.444 2.918 40 0 EFABMO CC(C)[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000032935161 472483052 /nfs/dbraw/zinc/48/30/52/472483052.db2.gz KCIGOPNXHPDBNR-ZGRWHYIRSA-N 1 1 336.863 2.826 40 0 EFABMO Cc1noc(C)c1COc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000032963979 472485921 /nfs/dbraw/zinc/48/59/21/472485921.db2.gz HAXKFSMMVZFKIS-UHFFFAOYSA-N 1 1 343.427 2.648 40 0 EFABMO CC(C)[NH+]1CCC(N[C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000097238272 472486088 /nfs/dbraw/zinc/48/60/88/472486088.db2.gz RKDGXXAFGLHXLF-YJBOKZPZSA-N 1 1 335.517 2.872 40 0 EFABMO CC(C)N1CCC([NH2+][C@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000097238272 472486091 /nfs/dbraw/zinc/48/60/91/472486091.db2.gz RKDGXXAFGLHXLF-YJBOKZPZSA-N 1 1 335.517 2.872 40 0 EFABMO C[C@@H](NC(=O)CC[NH+]1CCN(c2nccs2)CC1)c1ccccc1 ZINC000057919481 472491575 /nfs/dbraw/zinc/49/15/75/472491575.db2.gz ZAZMBBABBSMSMI-OAHLLOKOSA-N 1 1 344.484 2.533 40 0 EFABMO C[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097359564 472492519 /nfs/dbraw/zinc/49/25/19/472492519.db2.gz WIGABDCCHSWGLX-WCVJEAGWSA-N 1 1 325.497 2.752 40 0 EFABMO C[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097359564 472492511 /nfs/dbraw/zinc/49/25/11/472492511.db2.gz WIGABDCCHSWGLX-WCVJEAGWSA-N 1 1 325.497 2.752 40 0 EFABMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377017 472495250 /nfs/dbraw/zinc/49/52/50/472495250.db2.gz ASTWQBIAIVDVTB-QGZVFWFLSA-N 1 1 339.487 2.870 40 0 EFABMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2n[nH]nc2c1 ZINC000058154215 472508306 /nfs/dbraw/zinc/50/83/06/472508306.db2.gz YHAKEOHJKIFDMR-QGZVFWFLSA-N 1 1 349.438 2.742 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000097953788 472511899 /nfs/dbraw/zinc/51/18/99/472511899.db2.gz JKVOWWOLRUWISM-AQNXPRMDSA-N 1 1 339.439 2.734 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)o1 ZINC000097953616 472512347 /nfs/dbraw/zinc/51/23/47/472512347.db2.gz HCLIESAMVZWNJW-WBAXXEDZSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)o1 ZINC000097953616 472512358 /nfs/dbraw/zinc/51/23/58/472512358.db2.gz HCLIESAMVZWNJW-WBAXXEDZSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000097953835 472512859 /nfs/dbraw/zinc/51/28/59/472512859.db2.gz UCVUYFGUAWEVPQ-JQHSSLGASA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2O1 ZINC000097953835 472512866 /nfs/dbraw/zinc/51/28/66/472512866.db2.gz UCVUYFGUAWEVPQ-JQHSSLGASA-N 1 1 341.411 2.601 40 0 EFABMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H](c3cn[nH]c3)C2)c1 ZINC000155150460 472513253 /nfs/dbraw/zinc/51/32/53/472513253.db2.gz ORTGUOSPOOMQFD-INIZCTEOSA-N 1 1 347.484 2.762 40 0 EFABMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@H](c3cn[nH]c3)C2)c1 ZINC000155150460 472513257 /nfs/dbraw/zinc/51/32/57/472513257.db2.gz ORTGUOSPOOMQFD-INIZCTEOSA-N 1 1 347.484 2.762 40 0 EFABMO Cc1nc(-c2cccc(CNC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897659 472538713 /nfs/dbraw/zinc/53/87/13/472538713.db2.gz QKUKMWDIVDITBL-MJBXVCDLSA-N 1 1 341.459 2.658 40 0 EFABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227265 472634611 /nfs/dbraw/zinc/63/46/11/472634611.db2.gz NVKUNTKADVGODZ-CABCVRRESA-N 1 1 347.212 2.873 40 0 EFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccccc2Cl)cc1OC ZINC000072227080 472635118 /nfs/dbraw/zinc/63/51/18/472635118.db2.gz MOPFTJKIIMTZRG-DLBZAZTESA-N 1 1 346.814 2.768 40 0 EFABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228066 472636603 /nfs/dbraw/zinc/63/66/03/472636603.db2.gz CRSVQWIHIPFAJZ-ZWKOTPCHSA-N 1 1 342.395 2.518 40 0 EFABMO Cc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000120224390 472652913 /nfs/dbraw/zinc/65/29/13/472652913.db2.gz AOYARIGIQDABDT-CQSZACIVSA-N 1 1 337.851 2.834 40 0 EFABMO CN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000072395026 472663298 /nfs/dbraw/zinc/66/32/98/472663298.db2.gz ZFIDETJECHJXEW-NQIIRXRSSA-N 1 1 334.419 2.846 40 0 EFABMO Cc1ccc(N2CCC(Nc3ccccc3S(C)(=O)=O)CC2)[nH+]c1 ZINC000078305772 472692920 /nfs/dbraw/zinc/69/29/20/472692920.db2.gz UTCYQLUVEDUHOX-UHFFFAOYSA-N 1 1 345.468 2.874 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc2c(c1)OCCO2 ZINC000061624278 472711961 /nfs/dbraw/zinc/71/19/61/472711961.db2.gz QDHDXNQZLHOGEL-UHFFFAOYSA-N 1 1 349.390 2.882 40 0 EFABMO Cc1[nH+]ccn1CCCc1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000078774379 472767172 /nfs/dbraw/zinc/76/71/72/472767172.db2.gz DWNDFQWYRLMSDX-UHFFFAOYSA-N 1 1 337.387 2.534 40 0 EFABMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(F)cc1)NC1CCOCC1 ZINC000078922950 472789428 /nfs/dbraw/zinc/78/94/28/472789428.db2.gz QKCHEOQRNWTSJI-HXUWFJFHSA-N 1 1 342.414 2.800 40 0 EFABMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C)nc3)CC2)cs1 ZINC000078917444 472789760 /nfs/dbraw/zinc/78/97/60/472789760.db2.gz AJCDZRACQBMYNV-UHFFFAOYSA-N 1 1 344.484 2.797 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000079336608 472849456 /nfs/dbraw/zinc/84/94/56/472849456.db2.gz LAEKXBIFWWJFMG-IBGZPJMESA-N 1 1 331.504 2.918 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000079354350 472851897 /nfs/dbraw/zinc/85/18/97/472851897.db2.gz FTKNIZLWTDTSCA-ZWKOTPCHSA-N 1 1 327.428 2.752 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000079354350 472851902 /nfs/dbraw/zinc/85/19/02/472851902.db2.gz FTKNIZLWTDTSCA-ZWKOTPCHSA-N 1 1 327.428 2.752 40 0 EFABMO CC(C)[N@@H+](CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391721 472856219 /nfs/dbraw/zinc/85/62/19/472856219.db2.gz HCVVPJASAYKXQG-GOSISDBHSA-N 1 1 334.460 2.880 40 0 EFABMO CC(C)[N@@H+](CCN)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391841 472856237 /nfs/dbraw/zinc/85/62/37/472856237.db2.gz OXCIFJVZKXXPSL-GOSISDBHSA-N 1 1 333.476 2.704 40 0 EFABMO CC(C)N(CC[NH3+])C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391841 472856241 /nfs/dbraw/zinc/85/62/41/472856241.db2.gz OXCIFJVZKXXPSL-GOSISDBHSA-N 1 1 333.476 2.704 40 0 EFABMO CC(C)[N@H+](CCN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391851 472856691 /nfs/dbraw/zinc/85/66/91/472856691.db2.gz NSNJJHAYNYRHKN-ROUUACIJSA-N 1 1 333.476 2.893 40 0 EFABMO CC(C)[N@@H+](CCN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391851 472856693 /nfs/dbraw/zinc/85/66/93/472856693.db2.gz NSNJJHAYNYRHKN-ROUUACIJSA-N 1 1 333.476 2.893 40 0 EFABMO CC(C)[N@@H+](CCO)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391730 472857111 /nfs/dbraw/zinc/85/71/11/472857111.db2.gz MOIGCKVAHGYLNA-ZWKOTPCHSA-N 1 1 334.460 2.927 40 0 EFABMO Cc1nc(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cs1 ZINC000080508877 473043093 /nfs/dbraw/zinc/04/30/93/473043093.db2.gz GSYNIJIDYOQAEZ-KRWDZBQOSA-N 1 1 347.459 2.914 40 0 EFABMO Cc1nc(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cs1 ZINC000080508877 473043100 /nfs/dbraw/zinc/04/31/00/473043100.db2.gz GSYNIJIDYOQAEZ-KRWDZBQOSA-N 1 1 347.459 2.914 40 0 EFABMO COc1ccc(CCNC(=S)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000109030891 473075814 /nfs/dbraw/zinc/07/58/14/473075814.db2.gz FWSQFPQSUBOLNV-JKSUJKDBSA-N 1 1 349.544 2.965 40 0 EFABMO Fc1ccc(C[N@H+]2CCCN(Cc3cnc4cnccn34)CC2)cc1 ZINC000123162438 473104605 /nfs/dbraw/zinc/10/46/05/473104605.db2.gz AYYUGEJTQRHZEU-UHFFFAOYSA-N 1 1 339.418 2.576 40 0 EFABMO C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000110607893 473165160 /nfs/dbraw/zinc/16/51/60/473165160.db2.gz NKDBVGAVCOFFDP-GDBMZVCRSA-N 1 1 332.419 2.731 40 0 EFABMO C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000110607893 473165163 /nfs/dbraw/zinc/16/51/63/473165163.db2.gz NKDBVGAVCOFFDP-GDBMZVCRSA-N 1 1 332.419 2.731 40 0 EFABMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000110607773 473165442 /nfs/dbraw/zinc/16/54/42/473165442.db2.gz HZCOUIMAMBKLQS-WBMJQRKESA-N 1 1 342.443 2.852 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cc1cccnc1 ZINC000110604461 473165561 /nfs/dbraw/zinc/16/55/61/473165561.db2.gz GNLSMPCFSDFWLS-FXAWDEMLSA-N 1 1 337.467 2.993 40 0 EFABMO COc1ncccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000110619626 473166395 /nfs/dbraw/zinc/16/63/95/473166395.db2.gz VDYFGYFKLJHHTM-CJNGLKHVSA-N 1 1 345.468 2.965 40 0 EFABMO C[N@H+]1CCC[C@H](CN[C@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636796 473167408 /nfs/dbraw/zinc/16/74/08/473167408.db2.gz MUAFWYMDBAZTJO-NJAFHUGGSA-N 1 1 343.496 2.947 40 0 EFABMO C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000110654705 473168653 /nfs/dbraw/zinc/16/86/53/473168653.db2.gz FKPGJQKPCIHSAO-AUUYWEPGSA-N 1 1 327.403 2.920 40 0 EFABMO C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000110654705 473168662 /nfs/dbraw/zinc/16/86/62/473168662.db2.gz FKPGJQKPCIHSAO-AUUYWEPGSA-N 1 1 327.403 2.920 40 0 EFABMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677945 473170043 /nfs/dbraw/zinc/17/00/43/473170043.db2.gz WEVVDIYGADOERQ-FZKQIMNGSA-N 1 1 338.398 2.597 40 0 EFABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000110695159 473171260 /nfs/dbraw/zinc/17/12/60/473171260.db2.gz XSHCOXSRGLRSBM-XJKSGUPXSA-N 1 1 344.484 2.664 40 0 EFABMO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1C(=O)N(C)C ZINC000110686017 473171417 /nfs/dbraw/zinc/17/14/17/473171417.db2.gz SNPZSEBPSANLSW-PBHICJAKSA-N 1 1 346.475 2.501 40 0 EFABMO CC[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000110698434 473172130 /nfs/dbraw/zinc/17/21/30/473172130.db2.gz HOKCWPGYZLFBIT-STQMWFEESA-N 1 1 332.473 2.568 40 0 EFABMO C[C@H](C(=O)Nc1ccccc1-n1cncn1)[N@@H+]1CCc2ccccc2C1 ZINC000096412348 473392262 /nfs/dbraw/zinc/39/22/62/473392262.db2.gz JYBAWWAMUPCCNO-OAHLLOKOSA-N 1 1 347.422 2.653 40 0 EFABMO C[C@H](C(=O)Nc1ccccc1-n1cncn1)[N@H+]1CCc2ccccc2C1 ZINC000096412348 473392269 /nfs/dbraw/zinc/39/22/69/473392269.db2.gz JYBAWWAMUPCCNO-OAHLLOKOSA-N 1 1 347.422 2.653 40 0 EFABMO C[N@@H+](CC(=O)NCc1cccnc1)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000096417448 473397242 /nfs/dbraw/zinc/39/72/42/473397242.db2.gz ZOPSQZLLISJQNH-LJQANCHMSA-N 1 1 327.403 2.920 40 0 EFABMO CC(C)=CCSc1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000096420814 473399606 /nfs/dbraw/zinc/39/96/06/473399606.db2.gz FQNFOGPPEIYFPL-MRXNPFEDSA-N 1 1 347.528 2.721 40 0 EFABMO COc1ncccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000096423083 473401505 /nfs/dbraw/zinc/40/15/05/473401505.db2.gz VDYFGYFKLJHHTM-CZUORRHYSA-N 1 1 345.468 2.965 40 0 EFABMO Cc1noc(-c2ccccc2C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)n1 ZINC000096426264 473404723 /nfs/dbraw/zinc/40/47/23/473404723.db2.gz JMWRUQCKFCOHHG-GFCCVEGCSA-N 1 1 339.399 2.616 40 0 EFABMO Cc1noc(-c2ccccc2C(=O)NC[C@H](C)Cn2cc[nH+]c2C)n1 ZINC000096426265 473405191 /nfs/dbraw/zinc/40/51/91/473405191.db2.gz JMWRUQCKFCOHHG-LBPRGKRZSA-N 1 1 339.399 2.616 40 0 EFABMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000096432855 473411427 /nfs/dbraw/zinc/41/14/27/473411427.db2.gz YLPNSXBCUXWWLP-SNVBAGLBSA-N 1 1 335.395 2.695 40 0 EFABMO Cc1[nH+]ccn1CCCCNC(=O)Nc1ccn(-c2ccccc2)n1 ZINC000096433837 473413286 /nfs/dbraw/zinc/41/32/86/473413286.db2.gz GIYJBIWLJNSTOT-UHFFFAOYSA-N 1 1 338.415 2.979 40 0 EFABMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCS3)cc2)CC1 ZINC000096436116 473414755 /nfs/dbraw/zinc/41/47/55/473414755.db2.gz NDKKZTXUBMIXHM-KRWDZBQOSA-N 1 1 333.501 2.658 40 0 EFABMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCS3)cc2)CC1 ZINC000096436117 473415218 /nfs/dbraw/zinc/41/52/18/473415218.db2.gz NDKKZTXUBMIXHM-QGZVFWFLSA-N 1 1 333.501 2.658 40 0 EFABMO C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435913 473415428 /nfs/dbraw/zinc/41/54/28/473415428.db2.gz ZRQISMOAUXSXKM-LPHOPBHVSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435913 473415435 /nfs/dbraw/zinc/41/54/35/473415435.db2.gz ZRQISMOAUXSXKM-LPHOPBHVSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437127 473417112 /nfs/dbraw/zinc/41/71/12/473417112.db2.gz DBXJAZGNDQBWLM-RDTXWAMCSA-N 1 1 328.412 2.705 40 0 EFABMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCOC3)cc2)C1 ZINC000096443928 473420935 /nfs/dbraw/zinc/42/09/35/473420935.db2.gz WQABZQZPXXKHAJ-JKSUJKDBSA-N 1 1 332.444 2.772 40 0 EFABMO COc1cccc(NC(=O)CC[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000096443462 473421298 /nfs/dbraw/zinc/42/12/98/473421298.db2.gz LMEYPNLYQCYLRF-NXHRZFHOSA-N 1 1 332.444 2.769 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000096445547 473424050 /nfs/dbraw/zinc/42/40/50/473424050.db2.gz FCALPMOWVWGKNR-OXJNMPFZSA-N 1 1 347.478 2.763 40 0 EFABMO Oc1cccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000096453990 473429649 /nfs/dbraw/zinc/42/96/49/473429649.db2.gz MSBWMSZANZFINV-UHFFFAOYSA-N 1 1 326.440 2.639 40 0 EFABMO Cc1cc(N2CCC(NC(=O)CSC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000096454881 473431209 /nfs/dbraw/zinc/43/12/09/473431209.db2.gz KGIAOWHLYSKWOG-UHFFFAOYSA-N 1 1 336.505 2.710 40 0 EFABMO COc1ccsc1C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000096454892 473431422 /nfs/dbraw/zinc/43/14/22/473431422.db2.gz RJCDFSMLGCJUJQ-UHFFFAOYSA-N 1 1 346.456 2.562 40 0 EFABMO O=C(CCOC1CCOCC1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000096460674 473433889 /nfs/dbraw/zinc/43/38/89/473433889.db2.gz HLIYOVZPQAJTFZ-KRWDZBQOSA-N 1 1 344.455 2.583 40 0 EFABMO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000096461932 473435223 /nfs/dbraw/zinc/43/52/23/473435223.db2.gz WEVVDIYGADOERQ-ACJLOTCBSA-N 1 1 338.398 2.597 40 0 EFABMO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000096468641 473435764 /nfs/dbraw/zinc/43/57/64/473435764.db2.gz NIQSTYVCHYHEIP-GJZGRUSLSA-N 1 1 347.415 2.883 40 0 EFABMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000096468641 473435773 /nfs/dbraw/zinc/43/57/73/473435773.db2.gz NIQSTYVCHYHEIP-GJZGRUSLSA-N 1 1 347.415 2.883 40 0 EFABMO Cc1cc(C)n2c(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)cnc2n1 ZINC000096489467 473446807 /nfs/dbraw/zinc/44/68/07/473446807.db2.gz QZPQSWXQKBEQAI-UHFFFAOYSA-N 1 1 338.411 2.749 40 0 EFABMO Cc1cc(C)n2c(C[N@H+](C)Cc3ccc4c(c3)OCCO4)cnc2n1 ZINC000096489467 473446812 /nfs/dbraw/zinc/44/68/12/473446812.db2.gz QZPQSWXQKBEQAI-UHFFFAOYSA-N 1 1 338.411 2.749 40 0 EFABMO C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cnccn1 ZINC000177907813 473449424 /nfs/dbraw/zinc/44/94/24/473449424.db2.gz PAYBJXOEWXNIRG-SNVBAGLBSA-N 1 1 335.205 2.528 40 0 EFABMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000096503120 473454924 /nfs/dbraw/zinc/45/49/24/473454924.db2.gz SGEJTEPXQJUNIM-GJYPPUQNSA-N 1 1 338.455 2.962 40 0 EFABMO Fc1cccnc1N1CC[C@@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000127652369 473637489 /nfs/dbraw/zinc/63/74/89/473637489.db2.gz BEUMSVYVPZQWGF-WBVHZDCISA-N 1 1 337.402 2.902 40 0 EFABMO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCSC2(CCOCC2)C1 ZINC000192193156 473645902 /nfs/dbraw/zinc/64/59/02/473645902.db2.gz PNZWCMAXFFEUPO-MRXNPFEDSA-N 1 1 332.469 2.538 40 0 EFABMO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000192615370 473696643 /nfs/dbraw/zinc/69/66/43/473696643.db2.gz QLOGYUWZTZYOHR-GDBMZVCRSA-N 1 1 335.448 2.602 40 0 EFABMO O=C(Nc1ccc2nncn2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000179628465 473699299 /nfs/dbraw/zinc/69/92/99/473699299.db2.gz BOEDAPMTJQUYTO-MRXNPFEDSA-N 1 1 335.411 2.580 40 0 EFABMO O=S1(=O)CC[C@H]([N@H+](CCSCc2ccccc2)C2CC2)C1 ZINC000192669354 473703752 /nfs/dbraw/zinc/70/37/52/473703752.db2.gz LQZGGXPSAIXREH-INIZCTEOSA-N 1 1 325.499 2.571 40 0 EFABMO O=S1(=O)CC[C@H]([N@@H+](CCSCc2ccccc2)C2CC2)C1 ZINC000192669354 473703759 /nfs/dbraw/zinc/70/37/59/473703759.db2.gz LQZGGXPSAIXREH-INIZCTEOSA-N 1 1 325.499 2.571 40 0 EFABMO O=C(C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1)N1CCOCC1 ZINC000179689224 473709212 /nfs/dbraw/zinc/70/92/12/473709212.db2.gz AUSAEQVFVTXFJV-UHFFFAOYSA-N 1 1 340.826 2.550 40 0 EFABMO CN(C)c1noc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000192742608 473716676 /nfs/dbraw/zinc/71/66/76/473716676.db2.gz NGHKPQHCDRSJRN-KGLIPLIRSA-N 1 1 334.420 2.597 40 0 EFABMO CN(C)c1noc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 ZINC000192742608 473716678 /nfs/dbraw/zinc/71/66/78/473716678.db2.gz NGHKPQHCDRSJRN-KGLIPLIRSA-N 1 1 334.420 2.597 40 0 EFABMO CC[C@H](C)Oc1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)ccn1 ZINC000274147755 473743787 /nfs/dbraw/zinc/74/37/87/473743787.db2.gz YQFCJDDNAKUCMV-CFVMTHIKSA-N 1 1 344.415 2.845 40 0 EFABMO CC[C@H](C)Oc1cc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)ccn1 ZINC000274147758 473744236 /nfs/dbraw/zinc/74/42/36/473744236.db2.gz YQFCJDDNAKUCMV-NWANDNLSSA-N 1 1 344.415 2.845 40 0 EFABMO Cc1cc([C@H](C)NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(C)s1 ZINC000180755249 473957960 /nfs/dbraw/zinc/95/79/60/473957960.db2.gz IFHOXYBHQNZMTC-BZPMIXESSA-N 1 1 339.505 2.522 40 0 EFABMO COc1cc(CN2CC[NH+]([C@@H](C)c3ccccn3)CC2)ccc1O ZINC000194993775 473988062 /nfs/dbraw/zinc/98/80/62/473988062.db2.gz AVZXEBBDESYSDR-HNNXBMFYSA-N 1 1 327.428 2.675 40 0 EFABMO c1c[nH]c([C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195049190 473998820 /nfs/dbraw/zinc/99/88/20/473998820.db2.gz WTTFEDYHWBMBPK-ZWKOTPCHSA-N 1 1 325.460 2.748 40 0 EFABMO Cc1ccccc1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188174241 474008070 /nfs/dbraw/zinc/00/80/70/474008070.db2.gz USQWACXAUJNUNK-OAQYLSRUSA-N 1 1 338.451 2.704 40 0 EFABMO COC(=O)c1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000195529197 474089328 /nfs/dbraw/zinc/08/93/28/474089328.db2.gz ORKKBJFDLPYQPL-ZIAGYGMSSA-N 1 1 333.432 2.715 40 0 EFABMO COc1cc(OC)cc([C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)c1 ZINC000195536461 474090081 /nfs/dbraw/zinc/09/00/81/474090081.db2.gz QOPJUWQDWGQKGW-DNVCBOLYSA-N 1 1 340.423 2.720 40 0 EFABMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000195530937 474090463 /nfs/dbraw/zinc/09/04/63/474090463.db2.gz HRZRBEIPJPMQGE-RTBURBONSA-N 1 1 330.472 2.926 40 0 EFABMO CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000195565165 474097798 /nfs/dbraw/zinc/09/77/98/474097798.db2.gz FFALTFDBBMBPCY-OSAGKFRWSA-N 1 1 343.515 2.934 40 0 EFABMO C[C@@H]1CCC[N@@H+]1Cc1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 ZINC000195574660 474099330 /nfs/dbraw/zinc/09/93/30/474099330.db2.gz RPYQWXJLTLXHFH-GFCCVEGCSA-N 1 1 336.436 2.958 40 0 EFABMO C[C@@H]1CCC[N@H+]1Cc1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 ZINC000195574660 474099338 /nfs/dbraw/zinc/09/93/38/474099338.db2.gz RPYQWXJLTLXHFH-GFCCVEGCSA-N 1 1 336.436 2.958 40 0 EFABMO O=C(COc1cc[nH+]c2c1CCCC2)NCCOc1ccc(F)cc1 ZINC000207011725 474125545 /nfs/dbraw/zinc/12/55/45/474125545.db2.gz SQKFEPRYKFZHNL-UHFFFAOYSA-N 1 1 344.386 2.674 40 0 EFABMO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](CC)CC1 ZINC000222806814 474174797 /nfs/dbraw/zinc/17/47/97/474174797.db2.gz UTUNGMQFCNKFKT-LJQANCHMSA-N 1 1 330.472 2.887 40 0 EFABMO C[NH+]1CCN(c2ncc(NC(=O)Nc3ccc(Cl)cc3)cn2)CC1 ZINC000224265721 474196695 /nfs/dbraw/zinc/19/66/95/474196695.db2.gz PPDVTGUWECLPNU-UHFFFAOYSA-N 1 1 346.822 2.526 40 0 EFABMO c1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)ccn1 ZINC000247815360 474213322 /nfs/dbraw/zinc/21/33/22/474213322.db2.gz AVZREZMNLNSHHJ-QGZVFWFLSA-N 1 1 334.485 2.585 40 0 EFABMO C[N@H+](CCSC[C@H]1CCCS(=O)(=O)C1)Cc1ccccc1 ZINC000225445480 474213670 /nfs/dbraw/zinc/21/36/70/474213670.db2.gz QPALDRSAKMTMPX-MRXNPFEDSA-N 1 1 327.515 2.676 40 0 EFABMO C[N@@H+](CCSC[C@H]1CCCS(=O)(=O)C1)Cc1ccccc1 ZINC000225445480 474213677 /nfs/dbraw/zinc/21/36/77/474213677.db2.gz QPALDRSAKMTMPX-MRXNPFEDSA-N 1 1 327.515 2.676 40 0 EFABMO c1csc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000247831400 474214885 /nfs/dbraw/zinc/21/48/85/474214885.db2.gz LJMCCLRYLNEQDI-NUEKZKHPSA-N 1 1 331.441 2.597 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000247831400 474214890 /nfs/dbraw/zinc/21/48/90/474214890.db2.gz LJMCCLRYLNEQDI-NUEKZKHPSA-N 1 1 331.441 2.597 40 0 EFABMO O=C(C[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247855580 474217566 /nfs/dbraw/zinc/21/75/66/474217566.db2.gz KMAOKSPZRVMZCK-INIZCTEOSA-N 1 1 344.484 2.603 40 0 EFABMO O=C(C[C@H]1C[N@H+](C2CCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247855580 474217570 /nfs/dbraw/zinc/21/75/70/474217570.db2.gz KMAOKSPZRVMZCK-INIZCTEOSA-N 1 1 344.484 2.603 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000247879493 474220437 /nfs/dbraw/zinc/22/04/37/474220437.db2.gz PLZZMIGDWZRXFH-YSIASYRMSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000247879493 474220443 /nfs/dbraw/zinc/22/04/43/474220443.db2.gz PLZZMIGDWZRXFH-YSIASYRMSA-N 1 1 339.439 2.673 40 0 EFABMO CCS(=O)(=O)c1ccc(N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000225518160 474221367 /nfs/dbraw/zinc/22/13/67/474221367.db2.gz DGYIYLPVUPWCAI-UHFFFAOYSA-N 1 1 347.484 2.673 40 0 EFABMO O=C(C[C@H]1C[N@H+](CC2CCC2)Cc2ccnn21)NCc1cccs1 ZINC000247889953 474221685 /nfs/dbraw/zinc/22/16/85/474221685.db2.gz YHIOHHZYGIDMBS-INIZCTEOSA-N 1 1 344.484 2.808 40 0 EFABMO O=C(C[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21)NCc1cccs1 ZINC000247889953 474221688 /nfs/dbraw/zinc/22/16/88/474221688.db2.gz YHIOHHZYGIDMBS-INIZCTEOSA-N 1 1 344.484 2.808 40 0 EFABMO c1ccc(CO[C@@H]2CSC3(C[NH+](Cc4ccccn4)C3)C2)nc1 ZINC000247915559 474226146 /nfs/dbraw/zinc/22/61/46/474226146.db2.gz ZEJBKRHEFPAMNQ-KRWDZBQOSA-N 1 1 327.453 2.753 40 0 EFABMO CCS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000225596483 474227580 /nfs/dbraw/zinc/22/75/80/474227580.db2.gz CAZQEQMDWUSJNA-MRXNPFEDSA-N 1 1 333.457 2.654 40 0 EFABMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2nc(C(C)C)no2)C1 ZINC000225603265 474228557 /nfs/dbraw/zinc/22/85/57/474228557.db2.gz LRVLNAMKKHAXFQ-CYBMUJFWSA-N 1 1 335.477 2.916 40 0 EFABMO Cc1cc(C(=O)N2CCC([N@H+]3CCc4sccc4C3)CC2)no1 ZINC000225688528 474235303 /nfs/dbraw/zinc/23/53/03/474235303.db2.gz QNXYIVNFLMFPSO-UHFFFAOYSA-N 1 1 331.441 2.707 40 0 EFABMO O=C(c1cc(C2CC2)on1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685337 474236184 /nfs/dbraw/zinc/23/61/84/474236184.db2.gz AVQSFNHVWZTJBO-KRWDZBQOSA-N 1 1 337.423 2.825 40 0 EFABMO CCc1cc(SCC[N@@H+](C)Cc2ccccc2)n2ncnc2n1 ZINC000225713959 474238366 /nfs/dbraw/zinc/23/83/66/474238366.db2.gz HWBHUTMOLQNAES-UHFFFAOYSA-N 1 1 327.457 2.911 40 0 EFABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](Oc1ccccn1)CS2 ZINC000248001541 474242395 /nfs/dbraw/zinc/24/23/95/474242395.db2.gz CDEYJMXIRZOHAT-CYBMUJFWSA-N 1 1 333.482 2.985 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 ZINC000248026240 474246104 /nfs/dbraw/zinc/24/61/04/474246104.db2.gz MCBWIDSBSFPQDH-HZPDHXFCSA-N 1 1 340.471 2.527 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000248063671 474253983 /nfs/dbraw/zinc/25/39/83/474253983.db2.gz QTWXDAAEOHVMCC-RBUKOAKNSA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C(C)C)O3)C2)o1 ZINC000248063671 474253984 /nfs/dbraw/zinc/25/39/84/474253984.db2.gz QTWXDAAEOHVMCC-RBUKOAKNSA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)o1 ZINC000248063671 474253985 /nfs/dbraw/zinc/25/39/85/474253985.db2.gz QTWXDAAEOHVMCC-RBUKOAKNSA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000248063671 474253986 /nfs/dbraw/zinc/25/39/86/474253986.db2.gz QTWXDAAEOHVMCC-RBUKOAKNSA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCN2CCCC2=O)cc1 ZINC000248094771 474259138 /nfs/dbraw/zinc/25/91/38/474259138.db2.gz MIEPPRSGFOAGRL-GOSISDBHSA-N 1 1 328.456 2.598 40 0 EFABMO Cc1cccc(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)[nH+]1 ZINC000248109907 474260168 /nfs/dbraw/zinc/26/01/68/474260168.db2.gz QMELDSBRSKNXNZ-IXDOHACOSA-N 1 1 325.412 2.848 40 0 EFABMO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000230464392 474260750 /nfs/dbraw/zinc/26/07/50/474260750.db2.gz JSPOWVULJIRHAV-IAGOWNOFSA-N 1 1 331.460 2.629 40 0 EFABMO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1cccnc1 ZINC000248128813 474263908 /nfs/dbraw/zinc/26/39/08/474263908.db2.gz PSMGYCXHCXOEDX-GYFISPQKSA-N 1 1 327.472 2.797 40 0 EFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)CCc3ccccc3C)C2)C1 ZINC000248150583 474269825 /nfs/dbraw/zinc/26/98/25/474269825.db2.gz TXDASFHSKIHIRS-SFHVURJKSA-N 1 1 344.499 2.887 40 0 EFABMO Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@H+]2C ZINC000248161242 474274473 /nfs/dbraw/zinc/27/44/73/474274473.db2.gz XRQCFEOEBCRIIW-INIZCTEOSA-N 1 1 332.444 2.551 40 0 EFABMO Cc1ccoc1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@@H+]2C ZINC000248161242 474274482 /nfs/dbraw/zinc/27/44/82/474274482.db2.gz XRQCFEOEBCRIIW-INIZCTEOSA-N 1 1 332.444 2.551 40 0 EFABMO COC[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248734243 474419123 /nfs/dbraw/zinc/41/91/23/474419123.db2.gz NAKSYSRMAGIPPI-HOTGVXAUSA-N 1 1 337.851 2.517 40 0 EFABMO C[C@H](O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000245343924 474574447 /nfs/dbraw/zinc/57/44/47/474574447.db2.gz WMLKZBPYNRHQGQ-OZVIIMIRSA-N 1 1 340.826 2.677 40 0 EFABMO Cc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1C[C@H]1CCCO1 ZINC000249686001 474603712 /nfs/dbraw/zinc/60/37/12/474603712.db2.gz GHPVEBCLVHQZML-PWIZWCRZSA-N 1 1 331.504 2.952 40 0 EFABMO Cc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1C[C@@H]1CCCO1 ZINC000249685999 474603880 /nfs/dbraw/zinc/60/38/80/474603880.db2.gz GHPVEBCLVHQZML-DBVUQKKJSA-N 1 1 331.504 2.952 40 0 EFABMO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CCC=C(c2ccccc2)C1 ZINC000252478270 474664322 /nfs/dbraw/zinc/66/43/22/474664322.db2.gz AHLZMHCXYOKRGK-MRXNPFEDSA-N 1 1 336.439 2.944 40 0 EFABMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490339 474674589 /nfs/dbraw/zinc/67/45/89/474674589.db2.gz KPYJNTFBBJAAGH-BZUAXINKSA-N 1 1 331.522 2.727 40 0 EFABMO CO[C@H](C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489978 474675543 /nfs/dbraw/zinc/67/55/43/474675543.db2.gz KGPAQTQHSRUBCN-RDTXWAMCSA-N 1 1 348.468 2.715 40 0 EFABMO CC(C)n1ncc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1N ZINC000252497266 474680359 /nfs/dbraw/zinc/68/03/59/474680359.db2.gz QCQZAJAVWWBRJB-UHFFFAOYSA-N 1 1 343.475 2.687 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@@H](O)C(F)(F)F ZINC000252585738 474699307 /nfs/dbraw/zinc/69/93/07/474699307.db2.gz KSMAZCXJJDTNFJ-FVQBIDKESA-N 1 1 330.394 2.752 40 0 EFABMO CCc1nnc(CN[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)o1 ZINC000253392950 474734008 /nfs/dbraw/zinc/73/40/08/474734008.db2.gz LCKWJGOOISXZQZ-QFBILLFUSA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(CN[C@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)o1 ZINC000253392950 474734013 /nfs/dbraw/zinc/73/40/13/474734013.db2.gz LCKWJGOOISXZQZ-QFBILLFUSA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(C[NH2+][C@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)o1 ZINC000253392950 474734018 /nfs/dbraw/zinc/73/40/18/474734018.db2.gz LCKWJGOOISXZQZ-QFBILLFUSA-N 1 1 342.443 2.708 40 0 EFABMO O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000253398470 474737432 /nfs/dbraw/zinc/73/74/32/474737432.db2.gz RAYWELQYFDFJSX-OAHLLOKOSA-N 1 1 346.562 2.552 40 0 EFABMO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000253397378 474737878 /nfs/dbraw/zinc/73/78/78/474737878.db2.gz WTLMDSPZLGGBMP-YOEHRIQHSA-N 1 1 331.460 2.901 40 0 EFABMO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000253397378 474737886 /nfs/dbraw/zinc/73/78/86/474737886.db2.gz WTLMDSPZLGGBMP-YOEHRIQHSA-N 1 1 331.460 2.901 40 0 EFABMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@@H](C)C1 ZINC000253404258 474739094 /nfs/dbraw/zinc/73/90/94/474739094.db2.gz IHMGFIHYGMMVKP-BLLLJJGKSA-N 1 1 334.851 2.790 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000253404691 474739168 /nfs/dbraw/zinc/73/91/68/474739168.db2.gz DGLOYHPYUVBMME-UHFFFAOYSA-N 1 1 327.215 2.901 40 0 EFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740858 /nfs/dbraw/zinc/74/08/58/474740858.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 1 1 343.515 2.686 40 0 biogenic,in-vitro EFABMO COc1ccc(CN2C[C@@H]3C[N@H+](CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740865 /nfs/dbraw/zinc/74/08/65/474740865.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 1 1 343.515 2.686 40 0 biogenic,in-vitro EFABMO COc1ccc(CN2C[C@@H]3C[N@@H+](CC4CC4)CCN3C(C)(C)C2)cc1 ZINC000253408849 474740871 /nfs/dbraw/zinc/74/08/71/474740871.db2.gz YUOJBAPNADPGLM-IBGZPJMESA-N 1 1 343.515 2.686 40 0 biogenic,in-vitro EFABMO CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000253419986 474746674 /nfs/dbraw/zinc/74/66/74/474746674.db2.gz SZPMZKSVTCOUDS-OAHLLOKOSA-N 1 1 326.448 2.677 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000253419917 474746907 /nfs/dbraw/zinc/74/69/07/474746907.db2.gz DYGDUMWMNDGAAH-SJLPKXTDSA-N 1 1 346.471 2.545 40 0 EFABMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ncnn2C(C)C)C1 ZINC000253433415 474757479 /nfs/dbraw/zinc/75/74/79/474757479.db2.gz WPIPQWWGVTWTLF-IRXDYDNUSA-N 1 1 342.443 2.638 40 0 EFABMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000253433415 474757485 /nfs/dbraw/zinc/75/74/85/474757485.db2.gz WPIPQWWGVTWTLF-IRXDYDNUSA-N 1 1 342.443 2.638 40 0 EFABMO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1nc(C)c(C)o1)CC2 ZINC000253432554 474758327 /nfs/dbraw/zinc/75/83/27/474758327.db2.gz LDJMPBFGHFIEBL-UHFFFAOYSA-N 1 1 346.427 2.918 40 0 EFABMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1nc(C)c(C)o1)CC2 ZINC000253432554 474758334 /nfs/dbraw/zinc/75/83/34/474758334.db2.gz LDJMPBFGHFIEBL-UHFFFAOYSA-N 1 1 346.427 2.918 40 0 EFABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000253612745 474773124 /nfs/dbraw/zinc/77/31/24/474773124.db2.gz IZWKBHMVRKCCRM-RCFCFVIZSA-N 1 1 327.509 2.934 40 0 EFABMO CCCCC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)CC[N@H+]2C ZINC000306125983 474807059 /nfs/dbraw/zinc/80/70/59/474807059.db2.gz DIGODURQMGDTPW-QGZVFWFLSA-N 1 1 345.487 2.711 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2N1CC1CC1 ZINC000306127706 474807336 /nfs/dbraw/zinc/80/73/36/474807336.db2.gz GFGOEDLLSCGTQG-DLBZAZTESA-N 1 1 327.453 2.841 40 0 EFABMO CCC[NH+]1CCC([N@@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135943 474809296 /nfs/dbraw/zinc/80/92/96/474809296.db2.gz PEZVVCFAXYMTME-VQIMIIECSA-N 1 1 342.487 2.709 40 0 EFABMO CCCN1CCC([N@@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135943 474809306 /nfs/dbraw/zinc/80/93/06/474809306.db2.gz PEZVVCFAXYMTME-VQIMIIECSA-N 1 1 342.487 2.709 40 0 EFABMO CCCN1CCC([N@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135943 474809310 /nfs/dbraw/zinc/80/93/10/474809310.db2.gz PEZVVCFAXYMTME-VQIMIIECSA-N 1 1 342.487 2.709 40 0 EFABMO O=C(C1CCC1)N1CC2(C1)C[C@H](COCC1CC1)CC[N@H+]2CC1CC1 ZINC000306134007 474809405 /nfs/dbraw/zinc/80/94/05/474809405.db2.gz NBPZKFNJNOSTQA-GOSISDBHSA-N 1 1 346.515 2.916 40 0 EFABMO Cc1ccsc1C[N@@H+]1CCOC[C@H](CC(=O)N2CCCC2)[C@H]1C ZINC000306133934 474809512 /nfs/dbraw/zinc/80/95/12/474809512.db2.gz MZRGLIAIUITGEF-CVEARBPZSA-N 1 1 336.501 2.906 40 0 EFABMO c1cc2c(cccc2C[N@@H+]2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)[nH]1 ZINC000306134234 474810176 /nfs/dbraw/zinc/81/01/76/474810176.db2.gz NGNBPUZYQDICHX-KVSKMBFKSA-N 1 1 349.438 2.517 40 0 EFABMO CCC[N@H+]1CCC[C@@H](c2ccnc3c(C(=O)NCC(C)C)cnn32)C1 ZINC000306132586 474810818 /nfs/dbraw/zinc/81/08/18/474810818.db2.gz LMYPFOFTKAHFPP-OAHLLOKOSA-N 1 1 343.475 2.705 40 0 EFABMO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000306137638 474811240 /nfs/dbraw/zinc/81/12/40/474811240.db2.gz RBZXFKBPRNAVRJ-PKOBYXMFSA-N 1 1 340.448 2.856 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144460 474812331 /nfs/dbraw/zinc/81/23/31/474812331.db2.gz ZFYUASLYBDVJTO-WMZOPIPTSA-N 1 1 333.439 2.588 40 0 EFABMO COc1cccc(O[C@H]2CC[N@@H+](Cc3ncccc3C)CC[C@@H]2O)c1 ZINC000257229065 474926787 /nfs/dbraw/zinc/92/67/87/474926787.db2.gz FWOIJZDEFQRIOL-PMACEKPBSA-N 1 1 342.439 2.803 40 0 EFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257286216 474931586 /nfs/dbraw/zinc/93/15/86/474931586.db2.gz PKTFGOLMGITEKL-OAHLLOKOSA-N 1 1 329.448 2.601 40 0 EFABMO C[NH+](C)Cc1ccnc([C@@H]2CN(CCCc3ccccc3)CCO2)n1 ZINC000257290610 474934441 /nfs/dbraw/zinc/93/44/41/474934441.db2.gz QDOUXXMDBWCICA-IBGZPJMESA-N 1 1 340.471 2.544 40 0 EFABMO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000257293036 474936826 /nfs/dbraw/zinc/93/68/26/474936826.db2.gz QNXCAERZODVDOU-HXUWFJFHSA-N 1 1 349.438 2.537 40 0 EFABMO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000257293036 474936831 /nfs/dbraw/zinc/93/68/31/474936831.db2.gz QNXCAERZODVDOU-HXUWFJFHSA-N 1 1 349.438 2.537 40 0 EFABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)c1ccccc1 ZINC000257293366 474936913 /nfs/dbraw/zinc/93/69/13/474936913.db2.gz QPEBSYCGLBCWIH-NRFANRHFSA-N 1 1 340.467 2.684 40 0 EFABMO Cc1cccc(C[N@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257296249 474939237 /nfs/dbraw/zinc/93/92/37/474939237.db2.gz RBXCFFJZLGWZOU-QGZVFWFLSA-N 1 1 336.439 2.957 40 0 EFABMO CC(=O)N1CCO[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000257299117 474940290 /nfs/dbraw/zinc/94/02/90/474940290.db2.gz ROUYJFLPEDOUJN-KRWDZBQOSA-N 1 1 326.400 2.757 40 0 EFABMO Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@@H+]3C)n1 ZINC000257307715 474944562 /nfs/dbraw/zinc/94/45/62/474944562.db2.gz SZXSSVDYJRCKQX-YOEHRIQHSA-N 1 1 340.418 2.604 40 0 EFABMO CC(C)Oc1cccc(C[N@H+]2CCOC[C@@H](Cc3cnccn3)C2)c1 ZINC000257311076 474947488 /nfs/dbraw/zinc/94/74/88/474947488.db2.gz UHUYMNCHKCIINF-SFHVURJKSA-N 1 1 341.455 2.955 40 0 EFABMO C[C@]1(COc2cccnc2)C[C@@H]2C[N@H+](Cc3nccs3)CC[C@@H]2O1 ZINC000257311881 474947590 /nfs/dbraw/zinc/94/75/90/474947590.db2.gz ULJUTDQHCAHHFW-UWWQBHOKSA-N 1 1 345.468 2.987 40 0 EFABMO C[C@]1(COc2cccnc2)C[C@@H]2C[N@@H+](Cc3nccs3)CC[C@@H]2O1 ZINC000257311881 474947597 /nfs/dbraw/zinc/94/75/97/474947597.db2.gz ULJUTDQHCAHHFW-UWWQBHOKSA-N 1 1 345.468 2.987 40 0 EFABMO COc1ccc2[nH]c(C[N@H+]3CC[C@@]4(CCCO4)[C@@H](OC)C3)cc2c1 ZINC000257311287 474947681 /nfs/dbraw/zinc/94/76/81/474947681.db2.gz UIUBJOHWGHPWSO-OALUTQOASA-N 1 1 330.428 2.946 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](Cc2cccc(C)n2)C1 ZINC000257321786 474953109 /nfs/dbraw/zinc/95/31/09/474953109.db2.gz WDFSBMWVTFTAMA-MRXNPFEDSA-N 1 1 326.444 2.630 40 0 EFABMO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3ccsc3)CCN2C)c1 ZINC000257327519 474957152 /nfs/dbraw/zinc/95/71/52/474957152.db2.gz XBRBSZNSKAAYHN-KRWDZBQOSA-N 1 1 329.469 2.596 40 0 EFABMO COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257330174 474957435 /nfs/dbraw/zinc/95/74/35/474957435.db2.gz XNFDIWSRZDXQQS-ICSRJNTNSA-N 1 1 346.471 2.858 40 0 EFABMO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257331422 474958859 /nfs/dbraw/zinc/95/88/59/474958859.db2.gz XSUCFUURZGTCLJ-HXUWFJFHSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257331422 474958868 /nfs/dbraw/zinc/95/88/68/474958868.db2.gz XSUCFUURZGTCLJ-HXUWFJFHSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1noc(C)c1CCC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257331413 474959030 /nfs/dbraw/zinc/95/90/30/474959030.db2.gz XSTBBQKJGRELTD-SFHVURJKSA-N 1 1 327.428 2.739 40 0 EFABMO Cc1noc(C)c1CCC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257331413 474959033 /nfs/dbraw/zinc/95/90/33/474959033.db2.gz XSTBBQKJGRELTD-SFHVURJKSA-N 1 1 327.428 2.739 40 0 EFABMO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000257333429 474959097 /nfs/dbraw/zinc/95/90/97/474959097.db2.gz YBMFMOZCGXIQAO-CQSZACIVSA-N 1 1 341.459 2.553 40 0 EFABMO Cc1cc(N(C)C)cc([C@@H]2CN(Cc3cnccc3C)CCO2)[nH+]1 ZINC000257331467 474959518 /nfs/dbraw/zinc/95/95/18/474959518.db2.gz XSZSQOFRNZBKJY-IBGZPJMESA-N 1 1 326.444 2.733 40 0 EFABMO Cc1nc(C[N@H+]2C[C@@H]3[C@H](N(C)c4ccc(C)nn4)CC[C@@H]3C2)cs1 ZINC000257333882 474959838 /nfs/dbraw/zinc/95/98/38/474959838.db2.gz YDMTZPUPCNDSJQ-HYVNUMGLSA-N 1 1 343.500 2.897 40 0 EFABMO Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000257335293 474960873 /nfs/dbraw/zinc/96/08/73/474960873.db2.gz YJNWQQAHKUDWDA-INIZCTEOSA-N 1 1 343.475 2.909 40 0 EFABMO CCn1cc(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)cn1 ZINC000257336455 474961626 /nfs/dbraw/zinc/96/16/26/474961626.db2.gz YOMUUUNYFCMCKC-PMACEKPBSA-N 1 1 341.455 2.853 40 0 EFABMO Cc1ncc(CNC(=O)c2cc(F)ccc2F)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257335885 474961908 /nfs/dbraw/zinc/96/19/08/474961908.db2.gz YMHKANNPRVRLAT-INIZCTEOSA-N 1 1 346.381 2.760 40 0 EFABMO Fc1cc(C[N@@H+]2CCOC[C@@H](Cc3cnccn3)C2)ccc1Cl ZINC000257338086 474963904 /nfs/dbraw/zinc/96/39/04/474963904.db2.gz YVTKIBZSHGZICN-AWEZNQCLSA-N 1 1 335.810 2.960 40 0 EFABMO Fc1cc(C[N@H+]2CCOC[C@@H](Cc3cnccn3)C2)ccc1Cl ZINC000257338086 474963908 /nfs/dbraw/zinc/96/39/08/474963908.db2.gz YVTKIBZSHGZICN-AWEZNQCLSA-N 1 1 335.810 2.960 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257344193 474966024 /nfs/dbraw/zinc/96/60/24/474966024.db2.gz ZWCWTBPIOCBLBQ-OALUTQOASA-N 1 1 330.403 2.933 40 0 EFABMO Nc1ccccc1CCC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262078281 475167251 /nfs/dbraw/zinc/16/72/51/475167251.db2.gz XLINATAMSUWXNB-GOSISDBHSA-N 1 1 327.403 2.514 40 0 EFABMO CCOc1ccc(C[N@H+]2C[C@H](SC)C[C@H]2C(=O)NC2CC2)cc1 ZINC000390823288 476799895 /nfs/dbraw/zinc/79/98/95/476799895.db2.gz YCCBECPNXVBVTD-SJORKVTESA-N 1 1 334.485 2.670 40 0 EFABMO C[C@H]1C[C@@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000390835083 476806004 /nfs/dbraw/zinc/80/60/04/476806004.db2.gz CGRYFZYUAWPFHG-GWCFXTLKSA-N 1 1 343.240 2.730 40 0 EFABMO Cc1nccc([C@H]2CCC[N@H+](Cc3nc(N)c4ccccc4n3)C2)n1 ZINC000584906700 479277802 /nfs/dbraw/zinc/27/78/02/479277802.db2.gz HFQVMEGLNJUNAA-AWEZNQCLSA-N 1 1 334.427 2.690 40 0 EFABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3nc(N)c4ccccc4n3)C2)n1 ZINC000584906700 479277806 /nfs/dbraw/zinc/27/78/06/479277806.db2.gz HFQVMEGLNJUNAA-AWEZNQCLSA-N 1 1 334.427 2.690 40 0 EFABMO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@@H+]3Cc3cnc(C)s3)C2)no1 ZINC000585102086 479282490 /nfs/dbraw/zinc/28/24/90/479282490.db2.gz QLACLXUIHOKSGK-QGZVFWFLSA-N 1 1 346.456 2.629 40 0 EFABMO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@H+]3Cc3cnc(C)s3)C2)no1 ZINC000585102086 479282492 /nfs/dbraw/zinc/28/24/92/479282492.db2.gz QLACLXUIHOKSGK-QGZVFWFLSA-N 1 1 346.456 2.629 40 0 EFABMO O=C1N(Cc2cncs2)C[C@]12CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000585099704 479282685 /nfs/dbraw/zinc/28/26/85/479282685.db2.gz YTFXQPOCQWWYJF-OAHLLOKOSA-N 1 1 341.427 2.613 40 0 EFABMO COCC(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100156 479283495 /nfs/dbraw/zinc/28/34/95/479283495.db2.gz GURKTMIHGPFFJX-LJQANCHMSA-N 1 1 334.435 2.819 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@]3(CN(Cc4cncs4)C3=O)C2)cs1 ZINC000585099354 479283598 /nfs/dbraw/zinc/28/35/98/479283598.db2.gz HDEOOGCXMVHORJ-MRXNPFEDSA-N 1 1 348.497 2.533 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@]3(CN(Cc4cncs4)C3=O)C2)cs1 ZINC000585099354 479283603 /nfs/dbraw/zinc/28/36/03/479283603.db2.gz HDEOOGCXMVHORJ-MRXNPFEDSA-N 1 1 348.497 2.533 40 0 EFABMO O=C(NCC[C@H]1C[N@@H+](CC2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111946 479289633 /nfs/dbraw/zinc/28/96/33/479289633.db2.gz FDIHYOMBTOMVCR-KRWDZBQOSA-N 1 1 345.491 2.626 40 0 EFABMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCCSCC2)c1 ZINC000585141961 479300114 /nfs/dbraw/zinc/30/01/14/479300114.db2.gz JSLKOYXKJFRMKH-WBVHZDCISA-N 1 1 333.501 2.834 40 0 EFABMO Cc1ncsc1C[N@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000585261148 479304064 /nfs/dbraw/zinc/30/40/64/479304064.db2.gz STPKGCAGHRVTHY-HNNXBMFYSA-N 1 1 342.468 2.790 40 0 EFABMO CO[C@]1(COc2ccc(F)cc2)CCC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000585273118 479304580 /nfs/dbraw/zinc/30/45/80/479304580.db2.gz ASEYVYISYNDGPL-GOSISDBHSA-N 1 1 333.407 2.917 40 0 EFABMO CO[C@]1(COc2ccc(C)cc2)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000585275927 479305699 /nfs/dbraw/zinc/30/56/99/479305699.db2.gz GSWZDFWUMADNFJ-LJQANCHMSA-N 1 1 327.428 2.763 40 0 EFABMO CO[C@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000585275927 479305704 /nfs/dbraw/zinc/30/57/04/479305704.db2.gz GSWZDFWUMADNFJ-LJQANCHMSA-N 1 1 327.428 2.763 40 0 EFABMO CO[C@@]1(COc2cccc(F)c2)CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585276292 479306182 /nfs/dbraw/zinc/30/61/82/479306182.db2.gz HVRCJPDGKOAQDU-SFHVURJKSA-N 1 1 333.407 2.836 40 0 EFABMO CO[C@H]1CN(C(=O)CCn2cc[nH+]c2C)CC[C@@H]1Cc1ccccc1 ZINC000585278754 479307135 /nfs/dbraw/zinc/30/71/35/479307135.db2.gz FVWHWTIYAVDWDH-MOPGFXCFSA-N 1 1 341.455 2.688 40 0 EFABMO CN(C)C(=O)CC[C@]1(O)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585278653 479307335 /nfs/dbraw/zinc/30/73/35/479307335.db2.gz PTSNYABOYRNFCP-QGZVFWFLSA-N 1 1 342.842 2.674 40 0 EFABMO CN(C)C(=O)CC[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585278653 479307342 /nfs/dbraw/zinc/30/73/42/479307342.db2.gz PTSNYABOYRNFCP-QGZVFWFLSA-N 1 1 342.842 2.674 40 0 EFABMO Cc1cccc(N2CCC(O)(C[N@H+](C)[C@H]3CCCC[C@H]3O)CC2)c1 ZINC000585284599 479307811 /nfs/dbraw/zinc/30/78/11/479307811.db2.gz UBEGIAHHQNQERO-RBUKOAKNSA-N 1 1 332.488 2.562 40 0 EFABMO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@H+](C3CCCC3)C2)c1 ZINC000585281598 479307921 /nfs/dbraw/zinc/30/79/21/479307921.db2.gz MKTOZBMBSMBPBN-FQEVSTJZSA-N 1 1 333.472 2.997 40 0 EFABMO CCC(CC)[N@H+]1CCOC[C@@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284336 479308574 /nfs/dbraw/zinc/30/85/74/479308574.db2.gz WYMURISXTXCMAV-QGZVFWFLSA-N 1 1 327.852 2.971 40 0 EFABMO O[C@@H]1[C@@H](C[NH2+]Cc2c[nH]cn2)CCC[C@H]1Oc1ccc(Cl)cc1 ZINC000585285432 479309339 /nfs/dbraw/zinc/30/93/39/479309339.db2.gz CWHAKGSRRMRFRT-CSMYWGQOSA-N 1 1 335.835 2.761 40 0 EFABMO CC(C)[NH+]1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585289158 479309455 /nfs/dbraw/zinc/30/94/55/479309455.db2.gz FMBYOHHVVHZATC-IPMKNSEASA-N 1 1 336.451 2.513 40 0 EFABMO Cc1cc(C)nc(C[NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)n1 ZINC000585288804 479309561 /nfs/dbraw/zinc/30/95/61/479309561.db2.gz ADPWHCZQAGZTQL-YQVWRLOYSA-N 1 1 327.428 2.544 40 0 EFABMO CCC(CC)[N@H+]1CC[C@H](O)[C@@](O)(COc2ccc(Cl)c(F)c2)C1 ZINC000585288086 479310100 /nfs/dbraw/zinc/31/01/00/479310100.db2.gz VNMZTVKZHGEQJT-IRXDYDNUSA-N 1 1 345.842 2.844 40 0 EFABMO Cc1nnsc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290089 479310926 /nfs/dbraw/zinc/31/09/26/479310926.db2.gz ZTYUOSFYOKBVSH-ZMSDIMECSA-N 1 1 333.457 2.639 40 0 EFABMO Cc1nnsc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290089 479310929 /nfs/dbraw/zinc/31/09/29/479310929.db2.gz ZTYUOSFYOKBVSH-ZMSDIMECSA-N 1 1 333.457 2.639 40 0 EFABMO CCOc1ccc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585291750 479311018 /nfs/dbraw/zinc/31/10/18/479311018.db2.gz CDEXCVPJEHDIMW-VAMGGRTRSA-N 1 1 345.414 2.546 40 0 EFABMO FC(F)(F)c1cnc(N2CCC([N@H+]3CCCOCC3)CC2)s1 ZINC000664010607 480969346 /nfs/dbraw/zinc/96/93/46/480969346.db2.gz FKQDESWQHJEOGM-UHFFFAOYSA-N 1 1 335.395 2.853 40 0 EFABMO CCc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000195557806 535924470 /nfs/dbraw/zinc/92/44/70/535924470.db2.gz KMADVJFAYDUFBD-LJQANCHMSA-N 1 1 338.451 2.746 40 0 EFABMO C[NH+](C)Cc1cncc([C@H]2CCCN2C(=O)CCc2cccs2)n1 ZINC000257254357 536060128 /nfs/dbraw/zinc/06/01/28/536060128.db2.gz KCRZZQRYAHQBJD-QGZVFWFLSA-N 1 1 344.484 2.896 40 0 EFABMO CCc1cc(C(=O)N(C)[C@H]2CCCN(c3cccc(C)[nH+]3)C2)on1 ZINC000257267364 536100538 /nfs/dbraw/zinc/10/05/38/536100538.db2.gz MGZFYSYKKBOHOQ-HNNXBMFYSA-N 1 1 328.416 2.681 40 0 EFABMO C[N@@H+](CCC(=O)N1CCC[C@H](c2nccs2)C1)Cc1ccccn1 ZINC000257259226 536303495 /nfs/dbraw/zinc/30/34/95/536303495.db2.gz KXKAKVIRGDLNGZ-HNNXBMFYSA-N 1 1 344.484 2.766 40 0 EFABMO COc1ccc([C@H]2C[N@@H+](Cc3c(C)nn(C)c3C)CCN2C)cc1 ZINC000257202660 536944334 /nfs/dbraw/zinc/94/43/34/536944334.db2.gz AMTXHHMWMFWNIE-LJQANCHMSA-N 1 1 328.460 2.534 40 0 EFABMO CCn1nncc1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000585087350 546371443 /nfs/dbraw/zinc/37/14/43/546371443.db2.gz SIXQNRPVUQMNGQ-MISYRCLQSA-N 1 1 339.487 2.688 40 0 EFABMO O=C1NCCC[N@H+](Cc2ccc3c(n2)CCC3)[C@@H]1Cc1ccccc1 ZINC000656630337 546870059 /nfs/dbraw/zinc/87/00/59/546870059.db2.gz WKSXZZFQOWCKET-HXUWFJFHSA-N 1 1 335.451 2.504 40 0 EFABMO O=C1NCCC[N@@H+](Cc2ccc3c(n2)CCC3)[C@@H]1Cc1ccccc1 ZINC000656630337 546870064 /nfs/dbraw/zinc/87/00/64/546870064.db2.gz WKSXZZFQOWCKET-HXUWFJFHSA-N 1 1 335.451 2.504 40 0 EFABMO CCNC(=O)N1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000252500627 564119794 /nfs/dbraw/zinc/11/97/94/564119794.db2.gz SZLULNDEEXMDIB-SJLPKXTDSA-N 1 1 342.418 2.704 40 0 EFABMO CCNC(=O)N1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000252500626 564119815 /nfs/dbraw/zinc/11/98/15/564119815.db2.gz SZLULNDEEXMDIB-FUHWJXTLSA-N 1 1 342.418 2.704 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)NC2CCCCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595904 1249166979 /nfs/dbraw/zinc/16/69/79/1249166979.db2.gz RWFBRGKRDINVOW-RYRKJORJSA-N 1 1 332.419 2.886 40 0 EFABMO CCc1cc(Cl)c(OC)c(C(=O)NC[C@H]2CCC[N@@H+]2CC)c1O ZINC000001997240 1094604928 /nfs/dbraw/zinc/60/49/28/1094604928.db2.gz AADCDMQTJNYOSS-GFCCVEGCSA-N 1 1 340.851 2.831 40 0 world EFABMO C[C@H](C(=O)NC(=O)NC1CCCC1)[N@@H+](C)CCCc1ccccc1 ZINC000052802731 214146539 /nfs/dbraw/zinc/14/65/39/214146539.db2.gz NHABFBULDXJPGP-OAHLLOKOSA-N 1 1 331.460 2.708 40 0 EFABMO Cc1ncc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c(C)n1 ZINC000180493020 282143736 /nfs/dbraw/zinc/14/37/36/282143736.db2.gz SSIABZYDSKDBKW-HNNXBMFYSA-N 1 1 338.455 2.830 40 0 EFABMO CC[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000055169679 214282648 /nfs/dbraw/zinc/28/26/48/214282648.db2.gz AQPAMAKFOPTJQA-UHFFFAOYSA-N 1 1 331.391 2.577 40 0 EFABMO CC(C)c1ccc(-c2noc(CCC(=O)N3CC[NH+](C)CC3)n2)cc1 ZINC000055275618 214300544 /nfs/dbraw/zinc/30/05/44/214300544.db2.gz TYKDHMDCYYDEQQ-UHFFFAOYSA-N 1 1 342.443 2.567 40 0 EFABMO CC(C)[N@@H+](CCN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178104 219094140 /nfs/dbraw/zinc/09/41/40/219094140.db2.gz CMOGGQYLBFWIAU-HDICACEKSA-N 1 1 333.476 2.893 40 0 EFABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000004400287 210187554 /nfs/dbraw/zinc/18/75/54/210187554.db2.gz VOAAJCDJYIZNDF-QAPCUYQASA-N 1 1 348.462 2.804 40 0 EFABMO COC(=O)[C@@H]1C[C@@]23CCC[N@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000003999112 210097540 /nfs/dbraw/zinc/09/75/40/210097540.db2.gz CZLWGXKWXLVFJU-SBDPWIONSA-N 1 1 338.451 2.786 40 0 biogenic EFABMO CC(C)Sc1ccccc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000067509884 215155637 /nfs/dbraw/zinc/15/56/37/215155637.db2.gz WVWLXXWLRBWYIT-UHFFFAOYSA-N 1 1 335.517 2.554 40 0 EFABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)c3ccco3)C2(C)C)no1 ZINC000067889775 215242294 /nfs/dbraw/zinc/24/22/94/215242294.db2.gz VMEGQBMCSAVUIA-WBMJQRKESA-N 1 1 331.416 2.716 40 0 biogenic,in-vitro EFABMO Fc1ccc(C[NH2+]C2(Cc3cc(-c4ccccn4)on3)COC2)cc1 ZINC000067898251 215245632 /nfs/dbraw/zinc/24/56/32/215245632.db2.gz KLGJVWBTMPRIIB-UHFFFAOYSA-N 1 1 339.370 2.977 40 0 biogenic,in-vitro EFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 ZINC000038858800 213229995 /nfs/dbraw/zinc/22/99/95/213229995.db2.gz QMAJVTRTQHCUHD-UHFFFAOYSA-N 1 1 349.390 2.899 40 0 EFABMO Cc1nc2n(n1)C[C@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cn1)CC2 ZINC000183546135 235134412 /nfs/dbraw/zinc/13/44/12/235134412.db2.gz HSDXDUXHIHCHGH-VQIMIIECSA-N 1 1 337.402 2.815 40 0 EFABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000036741278 213116362 /nfs/dbraw/zinc/11/63/62/213116362.db2.gz DWRRNDHXFIIYEN-AZUAARDMSA-N 1 1 327.424 2.712 40 0 EFABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc1CO ZINC000036719307 213113165 /nfs/dbraw/zinc/11/31/65/213113165.db2.gz XGRPNHXPPQICPU-QAPCUYQASA-N 1 1 325.412 2.548 40 0 EFABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc1CO ZINC000036719307 213113166 /nfs/dbraw/zinc/11/31/66/213113166.db2.gz XGRPNHXPPQICPU-QAPCUYQASA-N 1 1 325.412 2.548 40 0 EFABMO CN1c2ncccc2C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1CO ZINC000225492449 283267287 /nfs/dbraw/zinc/26/72/87/283267287.db2.gz MAPRVEXEZKSTAR-KRWDZBQOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CN1c2ncccc2C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1CO ZINC000225492449 283267289 /nfs/dbraw/zinc/26/72/89/283267289.db2.gz MAPRVEXEZKSTAR-KRWDZBQOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000035424939 213027759 /nfs/dbraw/zinc/02/77/59/213027759.db2.gz DRZWVIBCCGIPQQ-HNNXBMFYSA-N 1 1 343.431 2.737 40 0 biogenic,in-vitro EFABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3CC(C)C)n2)ccn1 ZINC000035424789 213027423 /nfs/dbraw/zinc/02/74/23/213027423.db2.gz WKYVFKXSUZSQSP-HNNXBMFYSA-N 1 1 346.431 2.950 40 0 biogenic,in-vitro EFABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC000035424888 213027473 /nfs/dbraw/zinc/02/74/73/213027473.db2.gz ZGOXKBIRBDDVAW-HNNXBMFYSA-N 1 1 345.447 2.983 40 0 biogenic,in-vitro EFABMO O=C(c1cc(Br)c[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035179509 213013648 /nfs/dbraw/zinc/01/36/48/213013648.db2.gz MGHNOHOVNJDCDG-UHFFFAOYSA-N 1 1 348.244 2.735 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072355439 216165080 /nfs/dbraw/zinc/16/50/80/216165080.db2.gz ITGLBLUYPJMDHA-QGZVFWFLSA-N 1 1 348.454 2.999 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358872 216166242 /nfs/dbraw/zinc/16/62/42/216166242.db2.gz PSGPBFGXYXWFTD-OAHLLOKOSA-N 1 1 342.418 2.550 40 0 EFABMO COC[C@@H]1CN(C(=O)C2CCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354427 216161566 /nfs/dbraw/zinc/16/15/66/216161566.db2.gz TUIOGVRFHWPKRB-IBGZPJMESA-N 1 1 344.499 2.826 40 0 EFABMO CCc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350568 216162379 /nfs/dbraw/zinc/16/23/79/216162379.db2.gz VUAQAYPUXALVGN-INIZCTEOSA-N 1 1 348.454 2.999 40 0 EFABMO Cc1cc(C(=O)N(C)C2CCCCC2)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072365777 216172059 /nfs/dbraw/zinc/17/20/59/216172059.db2.gz MMOZNROFAHIUEI-OAHLLOKOSA-N 1 1 330.476 2.999 40 0 EFABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@H+](C(C)C)C3)n2)ncn1 ZINC000072377459 216179481 /nfs/dbraw/zinc/17/94/81/216179481.db2.gz VGPHVEOIMHJAJB-CYBMUJFWSA-N 1 1 327.436 2.640 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC000072388677 216189531 /nfs/dbraw/zinc/18/95/31/216189531.db2.gz UROAPFVEOLDLEV-INIZCTEOSA-N 1 1 330.407 2.630 40 0 EFABMO CN(C)C(=O)c1cn[nH]c1[C@@H]1CCC[N@@H+]1CCc1ccc(F)cc1 ZINC000072388677 216189533 /nfs/dbraw/zinc/18/95/33/216189533.db2.gz UROAPFVEOLDLEV-INIZCTEOSA-N 1 1 330.407 2.630 40 0 EFABMO CN(C)C(=O)c1cn[nH]c1[C@@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC000072388677 216189534 /nfs/dbraw/zinc/18/95/34/216189534.db2.gz UROAPFVEOLDLEV-INIZCTEOSA-N 1 1 330.407 2.630 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393208 216191375 /nfs/dbraw/zinc/19/13/75/216191375.db2.gz SZWCZLYNNAXGKF-MRXNPFEDSA-N 1 1 347.422 2.607 40 0 EFABMO C[N@@H+](Cc1cc(=O)c(O)co1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666709 216289870 /nfs/dbraw/zinc/28/98/70/216289870.db2.gz AJXYWZJAFVFWCK-UHFFFAOYSA-N 1 1 332.375 2.585 40 0 EFABMO O=c1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)nc2ccccn12 ZINC000072867379 216322492 /nfs/dbraw/zinc/32/24/92/216322492.db2.gz VEOCNSWWVMSCTL-RTBURBONSA-N 1 1 349.434 2.783 40 0 EFABMO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]21)N1CCCC1 ZINC000096043320 296038961 /nfs/dbraw/zinc/03/89/61/296038961.db2.gz GATFATGCZUPUOX-IXDOHACOSA-N 1 1 334.485 2.598 40 0 EFABMO O=C(C[N@H+](CCc1cccc(F)c1)C1CC1)NCc1cccnc1 ZINC000072978060 216336152 /nfs/dbraw/zinc/33/61/52/216336152.db2.gz JKYAMPJKYOYSKK-UHFFFAOYSA-N 1 1 327.403 2.544 40 0 EFABMO Cc1n[nH]cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000073303068 216374862 /nfs/dbraw/zinc/37/48/62/216374862.db2.gz RBLSSHNUFCEOMT-CYBMUJFWSA-N 1 1 328.416 2.691 40 0 EFABMO Cc1[nH]ncc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000073303068 216374865 /nfs/dbraw/zinc/37/48/65/216374865.db2.gz RBLSSHNUFCEOMT-CYBMUJFWSA-N 1 1 328.416 2.691 40 0 EFABMO Cc1[nH]ncc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000073303068 216374870 /nfs/dbraw/zinc/37/48/70/216374870.db2.gz RBLSSHNUFCEOMT-CYBMUJFWSA-N 1 1 328.416 2.691 40 0 EFABMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc2c(c1)CCC2 ZINC000023641152 212387424 /nfs/dbraw/zinc/38/74/24/212387424.db2.gz NFFNAWXJGFKDRF-UHFFFAOYSA-N 1 1 342.483 2.940 40 0 EFABMO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)o1)c1ccco1 ZINC000022858476 212329940 /nfs/dbraw/zinc/32/99/40/212329940.db2.gz NMIYGOGTEFYCKY-SECBINFHSA-N 1 1 327.178 2.668 40 0 EFABMO Cc1ccc(C)c([C@H](O)C[NH+]2CCN(Cc3ncccc3C)CC2)c1 ZINC000022887366 212331653 /nfs/dbraw/zinc/33/16/53/212331653.db2.gz VMIYHELNDTYZIL-OAQYLSRUSA-N 1 1 339.483 2.858 40 0 EFABMO Cc1c[nH]c(-c2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)nc(C)n2)n1 ZINC000257339427 240312806 /nfs/dbraw/zinc/31/28/06/240312806.db2.gz ZBRNJSCNKDOVNO-INIZCTEOSA-N 1 1 334.427 2.868 40 0 EFABMO CCOC[C@@]1([NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052484 241294176 /nfs/dbraw/zinc/29/41/76/241294176.db2.gz YSNHSYXJKRXCSS-GBESFXJTSA-N 1 1 345.464 2.669 40 0 EFABMO CCc1nc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc(C)[nH+]1 ZINC000225819049 242052057 /nfs/dbraw/zinc/05/20/57/242052057.db2.gz NJAPANRYWJBNNJ-UHFFFAOYSA-N 1 1 349.438 2.791 40 0 EFABMO COC(=O)c1cccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000225737108 242011475 /nfs/dbraw/zinc/01/14/75/242011475.db2.gz LTXLDKYFJJJERE-CQSZACIVSA-N 1 1 349.500 2.882 40 0 EFABMO C[NH+](C)[C@H](CNC(=O)[C@]1(C)CC(c2cccs2)=NO1)c1ccco1 ZINC000226749563 242112342 /nfs/dbraw/zinc/11/23/42/242112342.db2.gz YDUGHNFRXLYYEF-DYVFJYSZSA-N 1 1 347.440 2.643 40 0 EFABMO C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1 ZINC000230104498 242231795 /nfs/dbraw/zinc/23/17/95/242231795.db2.gz LNUPTHQNWBYSRS-IRXDYDNUSA-N 1 1 338.407 2.742 40 0 EFABMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000021055242 212203279 /nfs/dbraw/zinc/20/32/79/212203279.db2.gz NAGBRZYUOYNMDT-GASCZTMLSA-N 1 1 343.471 2.714 40 0 EFABMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000021055242 212203282 /nfs/dbraw/zinc/20/32/82/212203282.db2.gz NAGBRZYUOYNMDT-GASCZTMLSA-N 1 1 343.471 2.714 40 0 EFABMO C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000245289553 243102895 /nfs/dbraw/zinc/10/28/95/243102895.db2.gz CPOZXWSTQPAXDA-MNEFBYGVSA-N 1 1 345.487 2.631 40 0 EFABMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343917 243103896 /nfs/dbraw/zinc/10/38/96/243103896.db2.gz WLAKFWOHVRZTBK-XHDPSFHLSA-N 1 1 337.782 2.890 40 0 EFABMO C[N@H+]1CC[C@@H](CNC(=O)c2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343917 243103903 /nfs/dbraw/zinc/10/39/03/243103903.db2.gz WLAKFWOHVRZTBK-XHDPSFHLSA-N 1 1 337.782 2.890 40 0 EFABMO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1nccnc1-c1nccn1C ZINC000257201207 244120674 /nfs/dbraw/zinc/12/06/74/244120674.db2.gz AGTMHLQEZWVGIX-ZDUSSCGKSA-N 1 1 340.456 2.979 40 0 EFABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257207851 244139530 /nfs/dbraw/zinc/13/95/30/244139530.db2.gz BJPKCWMXBYVKJZ-MRXNPFEDSA-N 1 1 338.459 2.768 40 0 EFABMO Cn1nccc1C(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@H+]2C ZINC000257219595 244176399 /nfs/dbraw/zinc/17/63/99/244176399.db2.gz DHIPENQNQSOBLM-YTQUADARSA-N 1 1 338.455 2.860 40 0 EFABMO Cc1c[nH]c(-c2cc([C@H]3CC[N@H+](Cc4cscn4)C3)nc(C)n2)n1 ZINC000257209231 244142691 /nfs/dbraw/zinc/14/26/91/244142691.db2.gz BPMSHRCNXKTQNH-ZDUSSCGKSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1c[nH]c(-c2cc([C@H]3CC[N@@H+](Cc4cscn4)C3)nc(C)n2)n1 ZINC000257209231 244142698 /nfs/dbraw/zinc/14/26/98/244142698.db2.gz BPMSHRCNXKTQNH-ZDUSSCGKSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1ccc(N(C)[C@H]2COC3(C2)CC[NH+](Cc2cnc[nH]2)CC3)cc1 ZINC000257211540 244153267 /nfs/dbraw/zinc/15/32/67/244153267.db2.gz BZHMIQQIZZPUHV-LJQANCHMSA-N 1 1 340.471 2.978 40 0 EFABMO Cc1cnccc1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257217244 244171616 /nfs/dbraw/zinc/17/16/16/244171616.db2.gz CYEPZROCGNNFSP-RTBURBONSA-N 1 1 330.403 2.933 40 0 EFABMO Cc1cncc(CN2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257229790 244209238 /nfs/dbraw/zinc/20/92/38/244209238.db2.gz FZMGPSSYUFIQJC-IBGZPJMESA-N 1 1 340.471 2.685 40 0 EFABMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccc(-c3cnn(C)c3)nc2)cn1 ZINC000257230738 244213781 /nfs/dbraw/zinc/21/37/81/244213781.db2.gz GDRQZHOLAHIDIU-LJQANCHMSA-N 1 1 336.443 2.943 40 0 EFABMO Cc1cnccc1C[N@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257231455 244214182 /nfs/dbraw/zinc/21/41/82/244214182.db2.gz GGTSFUMZKAJSRB-QGZVFWFLSA-N 1 1 336.439 2.729 40 0 EFABMO Cc1ccc(N(C)[C@@H]2CC[C@@H]3C[N@@H+](Cc4cncs4)C[C@H]23)nn1 ZINC000257245212 244255463 /nfs/dbraw/zinc/25/54/63/244255463.db2.gz IONJZMYRVCVWEP-VNQPRFMTSA-N 1 1 329.473 2.588 40 0 EFABMO CCN1CCC([N@H+]2CCC[C@@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246633 244257188 /nfs/dbraw/zinc/25/71/88/244257188.db2.gz IVALTTRWCDBQDZ-MRXNPFEDSA-N 1 1 327.476 2.632 40 0 EFABMO Cc1cncc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257239520 244237442 /nfs/dbraw/zinc/23/74/42/244237442.db2.gz HPSLIXMOFGQZLF-INIZCTEOSA-N 1 1 325.412 2.936 40 0 EFABMO COc1cccc(CN2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)c1F ZINC000257246837 244257863 /nfs/dbraw/zinc/25/78/63/244257863.db2.gz IWAHYFBFXMMJEE-QGZVFWFLSA-N 1 1 331.391 2.693 40 0 EFABMO Cc1cc([C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CCO2)ccn1 ZINC000257241372 244244872 /nfs/dbraw/zinc/24/48/72/244244872.db2.gz HXUZBXCAUVUTFE-QGZVFWFLSA-N 1 1 342.443 2.700 40 0 EFABMO Cc1nc(C)c(CC(=O)N[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)s1 ZINC000257247007 244261669 /nfs/dbraw/zinc/26/16/69/244261669.db2.gz IWYBZMKBRFWORO-OAHLLOKOSA-N 1 1 344.484 2.791 40 0 EFABMO Cc1cn(C)c([C@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)n1 ZINC000257249138 244266551 /nfs/dbraw/zinc/26/65/51/244266551.db2.gz JGYPIYNZEOERSM-INIZCTEOSA-N 1 1 343.475 2.845 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257258344 244290420 /nfs/dbraw/zinc/29/04/20/244290420.db2.gz KTKRUDUXTRMUGB-MRXNPFEDSA-N 1 1 325.460 2.964 40 0 EFABMO Cn1cncc1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257260126 244292655 /nfs/dbraw/zinc/29/26/55/244292655.db2.gz LBJWQRLXEAKAQK-MRXNPFEDSA-N 1 1 335.415 2.686 40 0 EFABMO Cn1cncc1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257260126 244292661 /nfs/dbraw/zinc/29/26/61/244292661.db2.gz LBJWQRLXEAKAQK-MRXNPFEDSA-N 1 1 335.415 2.686 40 0 EFABMO CCN1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000020044672 212097201 /nfs/dbraw/zinc/09/72/01/212097201.db2.gz RAWYCXMLFRFNSZ-KRWDZBQOSA-N 1 1 329.488 2.696 40 0 EFABMO Cc1nc(C[N@H+]2C[C@@H]3[C@H](N(C)c4cnc(C)cn4)CC[C@@H]3C2)cs1 ZINC000257266585 244363398 /nfs/dbraw/zinc/36/33/98/244363398.db2.gz MDQIINDHJNIYDJ-HYVNUMGLSA-N 1 1 343.500 2.897 40 0 EFABMO Clc1cccc(C[NH+]2CC3(C2)CO[C@H](Cc2cncnc2)C3)c1 ZINC000257270849 244376067 /nfs/dbraw/zinc/37/60/67/244376067.db2.gz MVWPSMHOLZBCRA-QGZVFWFLSA-N 1 1 329.831 2.964 40 0 EFABMO Cc1c[nH]c(-c2cnc(C[C@H]3CC[N@H+](Cc4cscn4)C3)cn2)n1 ZINC000257260647 244348178 /nfs/dbraw/zinc/34/81/78/244348178.db2.gz LDSZAOVZVYUJRQ-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1c[nH]c(-c2cnc(C[C@H]3CC[N@@H+](Cc4cscn4)C3)cn2)n1 ZINC000257260647 244348184 /nfs/dbraw/zinc/34/81/84/244348184.db2.gz LDSZAOVZVYUJRQ-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000095405367 284138962 /nfs/dbraw/zinc/13/89/62/284138962.db2.gz DYDQLEBLACJIKA-RTBURBONSA-N 1 1 349.519 2.852 40 0 EFABMO Cc1cccc(N2CCC[C@H](N(C)C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257262229 244350747 /nfs/dbraw/zinc/35/07/47/244350747.db2.gz LKQYWMWAPFYVQK-SFHVURJKSA-N 1 1 338.455 2.845 40 0 EFABMO Cn1ccnc1-c1cncc(C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000257275748 244392521 /nfs/dbraw/zinc/39/25/21/244392521.db2.gz NQSJOUNEKYWROM-UHFFFAOYSA-N 1 1 340.456 2.713 40 0 EFABMO Cc1ncsc1C[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257276663 244393508 /nfs/dbraw/zinc/39/35/08/244393508.db2.gz NUQUKYWIRWVQFW-ZDUSSCGKSA-N 1 1 329.429 2.927 40 0 EFABMO Cc1ncsc1C[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257276663 244393520 /nfs/dbraw/zinc/39/35/20/244393520.db2.gz NUQUKYWIRWVQFW-ZDUSSCGKSA-N 1 1 329.429 2.927 40 0 EFABMO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000257276266 244394126 /nfs/dbraw/zinc/39/41/26/244394126.db2.gz NTAYBMWHCBVYHL-INIZCTEOSA-N 1 1 330.457 2.820 40 0 EFABMO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC000257276266 244394131 /nfs/dbraw/zinc/39/41/31/244394131.db2.gz NTAYBMWHCBVYHL-INIZCTEOSA-N 1 1 330.457 2.820 40 0 EFABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000019842348 212075145 /nfs/dbraw/zinc/07/51/45/212075145.db2.gz JHFSXTNKPVJXLH-UHFFFAOYSA-N 1 1 342.464 2.894 40 0 EFABMO Cc1nc(N(C)C)cc(CC2CCN(C(=O)c3ccccc3)CC2)[nH+]1 ZINC000019758727 212062056 /nfs/dbraw/zinc/06/20/56/212062056.db2.gz DKWJSVHUYYWDHP-UHFFFAOYSA-N 1 1 338.455 2.946 40 0 EFABMO CCCn1ncc2ccc([C@@H]3CCC[N@@H+](Cc4ccnn4C)C3)nc21 ZINC000019742356 212060584 /nfs/dbraw/zinc/06/05/84/212060584.db2.gz XPQRYXJLUJMKGT-MRXNPFEDSA-N 1 1 338.459 2.954 40 0 EFABMO CCCn1ncc2ccc([C@H]3CCC[N@@H+](Cc4ccnn4C)C3)nc21 ZINC000019742358 212060223 /nfs/dbraw/zinc/06/02/23/212060223.db2.gz XPQRYXJLUJMKGT-INIZCTEOSA-N 1 1 338.459 2.954 40 0 EFABMO Cn1nc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1C[NH+](C)C ZINC000019710220 212056693 /nfs/dbraw/zinc/05/66/93/212056693.db2.gz IMNBFDDDBUODTR-OAHLLOKOSA-N 1 1 330.476 2.544 40 0 EFABMO Cn1cc(-c2ccc([C@H]3CCC[N@@H+](Cc4ccnn4C)C3)nc2)cn1 ZINC000019689205 212056287 /nfs/dbraw/zinc/05/62/87/212056287.db2.gz FQDZRKNETSZJPJ-INIZCTEOSA-N 1 1 336.443 2.595 40 0 EFABMO COCC[N@H+]1CCC[C@@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703665 212055606 /nfs/dbraw/zinc/05/56/06/212055606.db2.gz NNZNNXQXFKLBGP-QGZVFWFLSA-N 1 1 333.407 2.954 40 0 EFABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](CC3CCCCC3)C2)no1 ZINC000019593524 212050624 /nfs/dbraw/zinc/05/06/24/212050624.db2.gz CDUTVLAGOPRODB-INIZCTEOSA-N 1 1 349.475 2.811 40 0 EFABMO C[N@H+]1CC[C@H](c2ncc3c(n2)CCN(C(=O)CCC2CCCC2)C3)C1 ZINC000019587937 212048627 /nfs/dbraw/zinc/04/86/27/212048627.db2.gz FUGGSKLQNMFJDE-INIZCTEOSA-N 1 1 342.487 2.751 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 ZINC000019590377 212048250 /nfs/dbraw/zinc/04/82/50/212048250.db2.gz MCBWIDSBSFPQDH-HOTGVXAUSA-N 1 1 340.471 2.527 40 0 EFABMO Cc1cc(C(=O)N2CCc3nc([C@@H]4CCC[N@@H+]4C)ncc3C2)cs1 ZINC000019571926 212043565 /nfs/dbraw/zinc/04/35/65/212043565.db2.gz VFVPKDDFNJKYEO-INIZCTEOSA-N 1 1 342.468 2.812 40 0 EFABMO Cc1cc(C(=O)N2CCc3nc([C@@H]4CCC[N@H+]4C)ncc3C2)cs1 ZINC000019571926 212043564 /nfs/dbraw/zinc/04/35/64/212043564.db2.gz VFVPKDDFNJKYEO-INIZCTEOSA-N 1 1 342.468 2.812 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(C)c1C ZINC000019577274 212046117 /nfs/dbraw/zinc/04/61/17/212046117.db2.gz ANTKICJGFGMMLM-MRXNPFEDSA-N 1 1 327.428 2.693 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1 ZINC000019555143 212041580 /nfs/dbraw/zinc/04/15/80/212041580.db2.gz GGUDVISNCKKTJO-INIZCTEOSA-N 1 1 339.439 2.578 40 0 EFABMO c1csc(-c2nnn(C[C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000019344956 212019064 /nfs/dbraw/zinc/01/90/64/212019064.db2.gz BQMIRYJBRRSEJZ-OAHLLOKOSA-N 1 1 340.456 2.709 40 0 EFABMO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339117 212018078 /nfs/dbraw/zinc/01/80/78/212018078.db2.gz HXQDYJNEOQEKDV-KRWDZBQOSA-N 1 1 347.422 2.607 40 0 EFABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339114 212017513 /nfs/dbraw/zinc/01/75/13/212017513.db2.gz HXQDYJNEOQEKDV-QGZVFWFLSA-N 1 1 347.422 2.607 40 0 EFABMO Cc1[nH+]ccn1CCCC(=O)N(C)c1ccc(Br)cn1 ZINC000078086272 217021189 /nfs/dbraw/zinc/02/11/89/217021189.db2.gz OKVTXMDGNCEFES-UHFFFAOYSA-N 1 1 337.221 2.792 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n2c(n1)CCC2 ZINC000019292725 212012525 /nfs/dbraw/zinc/01/25/25/212012525.db2.gz XEEIRYVTLZEXMC-CYBMUJFWSA-N 1 1 345.393 2.847 40 0 EFABMO O=c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)n2c(n1)CCC2 ZINC000019292725 212012526 /nfs/dbraw/zinc/01/25/26/212012526.db2.gz XEEIRYVTLZEXMC-CYBMUJFWSA-N 1 1 345.393 2.847 40 0 EFABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nn(C)c3nccnc23)C1 ZINC000019289395 212011548 /nfs/dbraw/zinc/01/15/48/212011548.db2.gz VEOKFCAFTDFZFT-OAHLLOKOSA-N 1 1 337.427 2.752 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccncc3)c2)C[C@H](C)O1 ZINC000078153340 217026190 /nfs/dbraw/zinc/02/61/90/217026190.db2.gz PEQYFHLYWDYAOH-GASCZTMLSA-N 1 1 325.412 2.943 40 0 EFABMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccncc3)c2)C[C@H](C)O1 ZINC000078153340 217026192 /nfs/dbraw/zinc/02/61/92/217026192.db2.gz PEQYFHLYWDYAOH-GASCZTMLSA-N 1 1 325.412 2.943 40 0 EFABMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[nH]1 ZINC000019285247 212009939 /nfs/dbraw/zinc/00/99/39/212009939.db2.gz SNWYSCRLSBXFFJ-INIZCTEOSA-N 1 1 327.428 2.855 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1 ZINC000019238714 212009166 /nfs/dbraw/zinc/00/91/66/212009166.db2.gz USUVGGSUILJEMT-GBESFXJTSA-N 1 1 342.508 2.919 40 0 EFABMO Cc1ccsc1CN1C[C@@H]2C[C@@H](O)C[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000019238714 212009167 /nfs/dbraw/zinc/00/91/67/212009167.db2.gz USUVGGSUILJEMT-GBESFXJTSA-N 1 1 342.508 2.919 40 0 EFABMO Cc1ccsc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000019238714 212009171 /nfs/dbraw/zinc/00/91/71/212009171.db2.gz USUVGGSUILJEMT-GBESFXJTSA-N 1 1 342.508 2.919 40 0 EFABMO Cc1cnc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4F)C3)o2)cn1 ZINC000019239191 212008748 /nfs/dbraw/zinc/00/87/48/212008748.db2.gz KVGQNBGCDKABNJ-CQSZACIVSA-N 1 1 339.374 2.964 40 0 EFABMO Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)s1 ZINC000019216929 212005253 /nfs/dbraw/zinc/00/52/53/212005253.db2.gz PQIQASMLSYCTGB-OAHLLOKOSA-N 1 1 342.468 2.812 40 0 EFABMO CC(C)COC(=O)C[C@H](c1ccccc1)[C@H]([NH3+])C(=O)OCC(C)C ZINC000019203232 212004803 /nfs/dbraw/zinc/00/48/03/212004803.db2.gz MXXHKDCAFSLHRH-AEFFLSMTSA-N 1 1 335.444 2.886 40 0 EFABMO Cc1ccc(-c2cc(C[C@@]3(C(=O)N(C)C)CCC[N@@H+](C)C3)on2)cc1 ZINC000019212262 212003869 /nfs/dbraw/zinc/00/38/69/212003869.db2.gz LMHQLQPXWJSFHD-FQEVSTJZSA-N 1 1 341.455 2.993 40 0 EFABMO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccccn2)cc1 ZINC000078663139 217096517 /nfs/dbraw/zinc/09/65/17/217096517.db2.gz YURQVQXSRCIFMU-UHFFFAOYSA-N 1 1 332.469 2.943 40 0 EFABMO Cc1csc(CCCNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000078928793 217150774 /nfs/dbraw/zinc/15/07/74/217150774.db2.gz QCUKRFCZPUNOIB-OAHLLOKOSA-N 1 1 343.496 2.947 40 0 EFABMO Cc1csc(CCCNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000078928793 217150778 /nfs/dbraw/zinc/15/07/78/217150778.db2.gz QCUKRFCZPUNOIB-OAHLLOKOSA-N 1 1 343.496 2.947 40 0 EFABMO Cc1nnc2ccc(NC[C@H]3CCC[N@H+](C)[C@@H]3c3ccccc3)nn12 ZINC000079089953 217189039 /nfs/dbraw/zinc/18/90/39/217189039.db2.gz AHRGWWBWFOIISE-VQIMIIECSA-N 1 1 336.443 2.928 40 0 EFABMO C[C@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 ZINC000110646588 220050876 /nfs/dbraw/zinc/05/08/76/220050876.db2.gz MGDUFVRVUWORQY-HNAYVOBHSA-N 1 1 349.434 2.928 40 0 EFABMO C[C@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 ZINC000110646588 220050880 /nfs/dbraw/zinc/05/08/80/220050880.db2.gz MGDUFVRVUWORQY-HNAYVOBHSA-N 1 1 349.434 2.928 40 0 EFABMO O=C(Nc1ccccc1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259320 284365779 /nfs/dbraw/zinc/36/57/79/284365779.db2.gz MBPRVWVFLWJCLM-UHFFFAOYSA-N 1 1 339.443 2.917 40 0 EFABMO CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080600284 217317489 /nfs/dbraw/zinc/31/74/89/217317489.db2.gz DQTRUCTWQYJQQC-GOSISDBHSA-N 1 1 327.403 2.844 40 0 EFABMO CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080600284 217317492 /nfs/dbraw/zinc/31/74/92/217317492.db2.gz DQTRUCTWQYJQQC-GOSISDBHSA-N 1 1 327.403 2.844 40 0 EFABMO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1cccs1 ZINC000012326108 211348817 /nfs/dbraw/zinc/34/88/17/211348817.db2.gz HPVVTGXZUMLIAF-UHFFFAOYSA-N 1 1 348.443 2.601 40 0 EFABMO Cc1ccnc(Nc2cc(NCCNC(=O)C(C)(C)C)[nH+]c(C)n2)c1 ZINC000090607945 217944394 /nfs/dbraw/zinc/94/43/94/217944394.db2.gz DFBCMDHPBOFPNF-UHFFFAOYSA-N 1 1 342.447 2.806 40 0 EFABMO Cc1nn(CCC(=O)NC(C)(C)C[N@@H+]2CCC[C@@H](C)C2)c(C)c1C ZINC000012203214 211320621 /nfs/dbraw/zinc/32/06/21/211320621.db2.gz PGFHRVABEYEKGN-CQSZACIVSA-N 1 1 334.508 2.825 40 0 EFABMO COCC(=O)N1CCC[C@H](c2[nH+]c3ccccn3c2NC(C)(C)C)C1 ZINC000012128072 211299763 /nfs/dbraw/zinc/29/97/63/211299763.db2.gz ZMHKTAPDOWIAIA-AWEZNQCLSA-N 1 1 344.459 2.897 40 0 EFABMO O=C(c1ncoc1-c1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000012145538 211306377 /nfs/dbraw/zinc/30/63/77/211306377.db2.gz MTESSPZHRSCKJT-OAHLLOKOSA-N 1 1 329.375 2.791 40 0 EFABMO O=C(c1ncoc1-c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000012145538 211306381 /nfs/dbraw/zinc/30/63/81/211306381.db2.gz MTESSPZHRSCKJT-OAHLLOKOSA-N 1 1 329.375 2.791 40 0 EFABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091856120 218077053 /nfs/dbraw/zinc/07/70/53/218077053.db2.gz WOEMIQJUIFOVNN-ZDUSSCGKSA-N 1 1 347.850 2.628 40 0 EFABMO Oc1ccc(Br)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856525 218078408 /nfs/dbraw/zinc/07/84/08/218078408.db2.gz WHGWAUVUKDLTFP-KBPBESRZSA-N 1 1 344.274 2.861 40 0 EFABMO Oc1ccc(Br)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856525 218078409 /nfs/dbraw/zinc/07/84/09/218078409.db2.gz WHGWAUVUKDLTFP-KBPBESRZSA-N 1 1 344.274 2.861 40 0 EFABMO CCN1C[C@H](C[N@@H+](C)Cc2ccc(C(N)=O)cc2)Oc2ccccc21 ZINC000011193487 211207195 /nfs/dbraw/zinc/20/71/95/211207195.db2.gz YKDVUZHKLYDKEH-KRWDZBQOSA-N 1 1 339.439 2.505 40 0 EFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)CO[C@H]1CCC[C@H]1C)CC2 ZINC000010434944 211173003 /nfs/dbraw/zinc/17/30/03/211173003.db2.gz HZKWJLGDBRNGQP-OLMNPRSZSA-N 1 1 349.471 2.628 40 0 EFABMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093360815 218218171 /nfs/dbraw/zinc/21/81/71/218218171.db2.gz FSVIGSSOAACHJS-KRWDZBQOSA-N 1 1 339.439 2.619 40 0 EFABMO CCC(CC)(CNC(=O)Nc1cccnc1Cl)[NH+]1CCOCC1 ZINC000095404816 218339966 /nfs/dbraw/zinc/33/99/66/218339966.db2.gz HRMNOAYPXBOERL-UHFFFAOYSA-N 1 1 340.855 2.748 40 0 EFABMO CC(C)S(=O)(=O)CCC[NH+]1CCC(Sc2ccccn2)CC1 ZINC000095412430 218349541 /nfs/dbraw/zinc/34/95/41/218349541.db2.gz PORNCTYREXPNIO-UHFFFAOYSA-N 1 1 342.530 2.851 40 0 EFABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000095441965 218386235 /nfs/dbraw/zinc/38/62/35/218386235.db2.gz XSHCOXSRGLRSBM-CJNGLKHVSA-N 1 1 344.484 2.664 40 0 EFABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1)[C@@H]1CCSC1 ZINC000095441964 218386484 /nfs/dbraw/zinc/38/64/84/218386484.db2.gz XSHCOXSRGLRSBM-CZUORRHYSA-N 1 1 344.484 2.664 40 0 EFABMO Cc1cc(CC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)[nH]n1 ZINC000153312199 224086713 /nfs/dbraw/zinc/08/67/13/224086713.db2.gz VFIWGPDPWFOPQN-UHFFFAOYSA-N 1 1 346.862 2.649 40 0 EFABMO Cc1cc(CC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)[nH]n1 ZINC000153312199 224086714 /nfs/dbraw/zinc/08/67/14/224086714.db2.gz VFIWGPDPWFOPQN-UHFFFAOYSA-N 1 1 346.862 2.649 40 0 EFABMO CC(C)c1cccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000097101100 218953779 /nfs/dbraw/zinc/95/37/79/218953779.db2.gz LTBPDIKIPIAEEH-MRXNPFEDSA-N 1 1 331.460 2.996 40 0 EFABMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)cc1Br ZINC000097230511 219000101 /nfs/dbraw/zinc/00/01/01/219000101.db2.gz OWZHZFUFLPRYMA-GFCCVEGCSA-N 1 1 325.250 2.747 40 0 EFABMO CCOc1cccc(CCNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000097234381 219001694 /nfs/dbraw/zinc/00/16/94/219001694.db2.gz GMNGTXJUZDIFNE-HKUYNNGSSA-N 1 1 345.487 2.754 40 0 EFABMO CCCn1c(C)nnc1CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000097378917 219019687 /nfs/dbraw/zinc/01/96/87/219019687.db2.gz AAMACCHUQVETPC-AWEZNQCLSA-N 1 1 333.505 2.937 40 0 EFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](CC4CC4)C[C@H]32)cs1 ZINC000306132907 257920606 /nfs/dbraw/zinc/92/06/06/257920606.db2.gz LVWYOHUSXZWGLP-DLBZAZTESA-N 1 1 342.468 2.544 40 0 EFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000072227089 258064550 /nfs/dbraw/zinc/06/45/50/258064550.db2.gz LTHALKTUKXCXQS-IRXDYDNUSA-N 1 1 346.814 2.768 40 0 EFABMO O=C(CNCC[NH+]1CCCCC1)Nc1ccccc1N1CCCCC1 ZINC000035311435 132389356 /nfs/dbraw/zinc/38/93/56/132389356.db2.gz GJQOMMNMCLDWQO-UHFFFAOYSA-N 1 1 344.503 2.691 40 0 EFABMO Cc1cc([C@H](O)C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c(C)s1 ZINC000036741338 132393049 /nfs/dbraw/zinc/39/30/49/132393049.db2.gz GNSOCSHWQKNINS-QGZVFWFLSA-N 1 1 346.500 2.627 40 0 EFABMO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccncc1O ZINC000096486857 544558494 /nfs/dbraw/zinc/55/84/94/544558494.db2.gz YQTJHENKMHWDGR-KRWDZBQOSA-N 1 1 339.439 2.771 40 0 EFABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccncc1O ZINC000096486857 544558499 /nfs/dbraw/zinc/55/84/99/544558499.db2.gz YQTJHENKMHWDGR-KRWDZBQOSA-N 1 1 339.439 2.771 40 0 EFABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072228200 262491518 /nfs/dbraw/zinc/49/15/18/262491518.db2.gz ODOHJLPGNQBKOM-HUUCEWRRSA-N 1 1 349.203 2.999 40 0 EFABMO CC(C)c1ccc(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000059544373 273563518 /nfs/dbraw/zinc/56/35/18/273563518.db2.gz DVFBSNHJPJFBLZ-BBWFWOEESA-N 1 1 329.444 2.538 40 0 EFABMO COCC[N@H+]1CC[C@@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244676 274033045 /nfs/dbraw/zinc/03/30/45/274033045.db2.gz AJPVFRMOEPRZGM-HXUWFJFHSA-N 1 1 339.439 2.572 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2n1 ZINC000096486660 274357149 /nfs/dbraw/zinc/35/71/49/274357149.db2.gz UEZXKOOTGCJAOX-PBHICJAKSA-N 1 1 348.454 2.930 40 0 EFABMO O=c1c2cc(F)ccc2nc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000019343705 275043099 /nfs/dbraw/zinc/04/30/99/275043099.db2.gz PDTDFPYLFKXNKS-UHFFFAOYSA-N 1 1 329.400 2.655 40 0 EFABMO O=c1c2cc(F)ccc2nc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000019343705 275043100 /nfs/dbraw/zinc/04/31/00/275043100.db2.gz PDTDFPYLFKXNKS-UHFFFAOYSA-N 1 1 329.400 2.655 40 0 EFABMO c1coc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)c1 ZINC000096061681 275074576 /nfs/dbraw/zinc/07/45/76/275074576.db2.gz LEVWIGRHPXIPND-UXHICEINSA-N 1 1 326.440 2.797 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC000096424195 277190325 /nfs/dbraw/zinc/19/03/25/277190325.db2.gz CSRGGITVCGAXDQ-DLBZAZTESA-N 1 1 337.508 2.804 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000096424195 277190327 /nfs/dbraw/zinc/19/03/27/277190327.db2.gz CSRGGITVCGAXDQ-DLBZAZTESA-N 1 1 337.508 2.804 40 0 EFABMO COc1ccccc1N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccncc2)C1=O ZINC000192710695 278053038 /nfs/dbraw/zinc/05/30/38/278053038.db2.gz ASZIWCSFJUBEGO-WMLDXEAASA-N 1 1 325.412 2.889 40 0 EFABMO COc1ccccc1N1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccncc2)C1=O ZINC000192710695 278053040 /nfs/dbraw/zinc/05/30/40/278053040.db2.gz ASZIWCSFJUBEGO-WMLDXEAASA-N 1 1 325.412 2.889 40 0 EFABMO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@@H+](CC3CC3)C2)C1 ZINC000012365387 278074055 /nfs/dbraw/zinc/07/40/55/278074055.db2.gz IELQPLVYUSWBSW-HXUWFJFHSA-N 1 1 328.456 2.981 40 0 EFABMO Cc1cccc(C)c1-n1nnnc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000295674996 295358769 /nfs/dbraw/zinc/35/87/69/295358769.db2.gz BQJQVFRXDDAZHO-HUUCEWRRSA-N 1 1 336.443 2.895 40 0 EFABMO C[C@]1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1(Cl)Cl ZINC000022870416 300761836 /nfs/dbraw/zinc/76/18/36/300761836.db2.gz PRNSFLYYNOBLAB-CQSZACIVSA-N 1 1 349.302 2.722 40 0 EFABMO O=C(c1ccc2cc[nH]c2n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329948959 311298829 /nfs/dbraw/zinc/29/88/29/311298829.db2.gz ZNUWFHHDFQMTNH-HDICACEKSA-N 1 1 346.434 2.767 40 0 EFABMO O=C(c1cc(C2CCCCC2)n[nH]1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000333327627 311599727 /nfs/dbraw/zinc/59/97/27/311599727.db2.gz VOUKLVXDHHMLOA-GOSISDBHSA-N 1 1 339.443 2.639 40 0 EFABMO C[C@@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000097379166 323214958 /nfs/dbraw/zinc/21/49/58/323214958.db2.gz LARVPSPTOGIXDO-XQQFMLRXSA-N 1 1 330.432 2.630 40 0 EFABMO CCN(C(=O)NCc1cc(C)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184609727 323370150 /nfs/dbraw/zinc/37/01/50/323370150.db2.gz DWGHPHDHCYCWFD-KRWDZBQOSA-N 1 1 342.443 2.789 40 0 EFABMO COc1cccc([C@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)c1 ZINC000095533612 473222214 /nfs/dbraw/zinc/22/22/14/473222214.db2.gz FVXYBLUJVFMONR-LBPRGKRZSA-N 1 1 349.188 2.884 40 0 EFABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1 ZINC000095533754 473222313 /nfs/dbraw/zinc/22/23/13/473222313.db2.gz HWKKGUDGZPDRGV-LBPRGKRZSA-N 1 1 349.188 2.884 40 0 EFABMO COc1cccc(NCCc2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)c1 ZINC000095533288 473222365 /nfs/dbraw/zinc/22/23/65/473222365.db2.gz KDKILADVTJHQBF-QGZVFWFLSA-N 1 1 341.390 2.655 40 0 EFABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3cccnc3)n[nH]2)cc1OCC ZINC000095534532 473223110 /nfs/dbraw/zinc/22/31/10/473223110.db2.gz CIACISAZJCJTPU-INIZCTEOSA-N 1 1 339.399 2.712 40 0 EFABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C1 ZINC000081792441 473253761 /nfs/dbraw/zinc/25/37/61/473253761.db2.gz NJNSQGPZYNBBMI-CYBMUJFWSA-N 1 1 332.444 2.520 40 0 EFABMO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](CC2CCCC2)C1 ZINC000096038950 473258283 /nfs/dbraw/zinc/25/82/83/473258283.db2.gz ZNOQEPGBVAEOCZ-KBAYOESNSA-N 1 1 332.444 2.565 40 0 EFABMO c1cncc(OC[C@@]23CCCO[C@H]2CC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096040060 473259987 /nfs/dbraw/zinc/25/99/87/473259987.db2.gz YXNOUDZYINEKGT-PMACEKPBSA-N 1 1 346.471 2.758 40 0 EFABMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039147 473260029 /nfs/dbraw/zinc/26/00/29/473260029.db2.gz NUDSVTVLBMFOIE-RBUKOAKNSA-N 1 1 335.444 2.721 40 0 EFABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039145 473260527 /nfs/dbraw/zinc/26/05/27/473260527.db2.gz NUDSVTVLBMFOIE-RTBURBONSA-N 1 1 335.444 2.721 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)nc1 ZINC000096040346 473261490 /nfs/dbraw/zinc/26/14/90/473261490.db2.gz PSWGALZZAPIARI-UYAOXDASSA-N 1 1 339.439 2.927 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccncc2)C[C@@H]2CCCO[C@H]12 ZINC000096040673 473261715 /nfs/dbraw/zinc/26/17/15/473261715.db2.gz ZNDDAQVCARJDNM-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO[C@H]12 ZINC000096040673 473261718 /nfs/dbraw/zinc/26/17/18/473261718.db2.gz ZNDDAQVCARJDNM-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccncc2)C[C@@H]2CCCO[C@H]12 ZINC000096040673 473261723 /nfs/dbraw/zinc/26/17/23/473261723.db2.gz ZNDDAQVCARJDNM-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccncc2)C[C@@H]2CCCO[C@H]12 ZINC000096040673 473261729 /nfs/dbraw/zinc/26/17/29/473261729.db2.gz ZNDDAQVCARJDNM-SXLOBPIMSA-N 1 1 341.455 2.786 40 0 EFABMO O=C(NC1CCCC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096041008 473262179 /nfs/dbraw/zinc/26/21/79/473262179.db2.gz XBLIIOCWUYBRLM-XIRDDKMYSA-N 1 1 334.485 2.786 40 0 EFABMO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](CC2CCCC2)C1 ZINC000096041283 473262403 /nfs/dbraw/zinc/26/24/03/473262403.db2.gz ZNOQEPGBVAEOCZ-CGTJXYLNSA-N 1 1 332.444 2.565 40 0 EFABMO O=C(NCC1CC1)[C@H]1CO[C@H]2CC[N@H+](Cc3cccc(F)c3)C[C@H]2C1 ZINC000096042634 473266032 /nfs/dbraw/zinc/26/60/32/473266032.db2.gz CUGHOGJMATXPLF-LMMKCTJWSA-N 1 1 346.446 2.579 40 0 EFABMO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096046392 473266657 /nfs/dbraw/zinc/26/66/57/473266657.db2.gz PNFJNACLLLNRCW-RYQLBKOJSA-N 1 1 341.459 2.686 40 0 EFABMO CC(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096046392 473266665 /nfs/dbraw/zinc/26/66/65/473266665.db2.gz PNFJNACLLLNRCW-RYQLBKOJSA-N 1 1 341.459 2.686 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nc1 ZINC000096048499 473270503 /nfs/dbraw/zinc/27/05/03/473270503.db2.gz OBHLCDRQUBATGK-DOTOQJQBSA-N 1 1 348.447 2.913 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096047049 473268253 /nfs/dbraw/zinc/26/82/53/473268253.db2.gz WBISRNDLRVPEIE-HXUWFJFHSA-N 1 1 336.439 2.605 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096048006 473268361 /nfs/dbraw/zinc/26/83/61/473268361.db2.gz MJXUJYLKLUHPCU-OAHLLOKOSA-N 1 1 347.484 2.992 40 0 EFABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2 ZINC000096048014 473270077 /nfs/dbraw/zinc/27/00/77/473270077.db2.gz RIFUSDVGRDOEIG-GOSISDBHSA-N 1 1 341.455 2.930 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nc1 ZINC000096048498 473271327 /nfs/dbraw/zinc/27/13/27/473271327.db2.gz OBHLCDRQUBATGK-RDJZCZTQSA-N 1 1 348.447 2.913 40 0 EFABMO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccco2)C3)nn1 ZINC000096048432 473271874 /nfs/dbraw/zinc/27/18/74/473271874.db2.gz HBVANDHTTWTLFS-QAPCUYQASA-N 1 1 328.416 2.614 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096048618 473271909 /nfs/dbraw/zinc/27/19/09/473271909.db2.gz ITPMRASWTIXKQB-SFHVURJKSA-N 1 1 342.468 2.553 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048331 473272286 /nfs/dbraw/zinc/27/22/86/473272286.db2.gz GYXAQIDRUQQLRO-WMLDXEAASA-N 1 1 330.457 2.774 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096048259 473272401 /nfs/dbraw/zinc/27/24/01/473272401.db2.gz MJCZYAHKRRAABW-RBUKOAKNSA-N 1 1 325.412 2.679 40 0 EFABMO Cc1ccc(N2C[C@]3(CC[N@@H+](CC4CCOCC4)C3)CC2=O)s1 ZINC000096050887 473273111 /nfs/dbraw/zinc/27/31/11/473273111.db2.gz IDWGLQFNYAIOIG-GOSISDBHSA-N 1 1 334.485 2.912 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)nc1 ZINC000096049557 473274102 /nfs/dbraw/zinc/27/41/02/473274102.db2.gz VNTIBNKXAOXAKB-HXUWFJFHSA-N 1 1 338.455 2.596 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cncnc2)C3)c1 ZINC000096049529 473274570 /nfs/dbraw/zinc/27/45/70/473274570.db2.gz YNCODFZWNYMUAL-GOSISDBHSA-N 1 1 344.484 2.657 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)N3CCCC3)C3(C2)CCOCC3)s1 ZINC000096052184 473275410 /nfs/dbraw/zinc/27/54/10/473275410.db2.gz OABLQQAZSZHJQM-KRWDZBQOSA-N 1 1 348.512 2.908 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1ccnnc1)CC2 ZINC000096051589 473275488 /nfs/dbraw/zinc/27/54/88/473275488.db2.gz NGUYORZHAYISQE-KRWDZBQOSA-N 1 1 340.427 2.586 40 0 EFABMO c1csc(CN2CCOC[C@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052325 473275690 /nfs/dbraw/zinc/27/56/90/473275690.db2.gz YHQPVYQVOWOHRO-AEFFLSMTSA-N 1 1 336.501 2.594 40 0 EFABMO CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096051979 473275781 /nfs/dbraw/zinc/27/57/81/473275781.db2.gz JIPAKPKOORNZOM-ROUUACIJSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1CO[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096051979 473275786 /nfs/dbraw/zinc/27/57/86/473275786.db2.gz JIPAKPKOORNZOM-ROUUACIJSA-N 1 1 338.517 2.696 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](Cn4ccnc4)CO3)C2)s1 ZINC000096052068 473276044 /nfs/dbraw/zinc/27/60/44/473276044.db2.gz CWWDOTJNCULINI-SJLPKXTDSA-N 1 1 347.484 2.561 40 0 EFABMO c1cncc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC000096051906 473276259 /nfs/dbraw/zinc/27/62/59/473276259.db2.gz PNAWIUFMPQBMFA-AZUAARDMSA-N 1 1 339.439 2.927 40 0 EFABMO c1cncc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)c1 ZINC000096051906 473276267 /nfs/dbraw/zinc/27/62/67/473276267.db2.gz PNAWIUFMPQBMFA-AZUAARDMSA-N 1 1 339.439 2.927 40 0 EFABMO O=C(NCC1CC1)[C@@H]1C[N@@H+](Cc2cccs2)CC12CCOCC2 ZINC000096052124 473276505 /nfs/dbraw/zinc/27/65/05/473276505.db2.gz LTCICUIAGVCCTE-INIZCTEOSA-N 1 1 334.485 2.503 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055026 473277597 /nfs/dbraw/zinc/27/75/97/473277597.db2.gz QAOGTQNLVVYECZ-IRXDYDNUSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055026 473277604 /nfs/dbraw/zinc/27/76/04/473277604.db2.gz QAOGTQNLVVYECZ-IRXDYDNUSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055026 473277609 /nfs/dbraw/zinc/27/76/09/473277609.db2.gz QAOGTQNLVVYECZ-IRXDYDNUSA-N 1 1 329.469 2.618 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096055310 473278083 /nfs/dbraw/zinc/27/80/83/473278083.db2.gz XHAVUGDHTXUUPX-XUVXKRRUSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000096055310 473278087 /nfs/dbraw/zinc/27/80/87/473278087.db2.gz XHAVUGDHTXUUPX-XUVXKRRUSA-N 1 1 339.439 2.673 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@@H](OCc4ccccn4)C[C@@H]3C2)cs1 ZINC000096055119 473279040 /nfs/dbraw/zinc/27/90/40/473279040.db2.gz OUPCXOYGLAYPHJ-MSOLQXFVSA-N 1 1 329.469 2.618 40 0 EFABMO O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)N1Cc1cccnc1 ZINC000096056571 473280468 /nfs/dbraw/zinc/28/04/68/473280468.db2.gz UVLXAMTXHRXTGO-RTBURBONSA-N 1 1 339.414 2.986 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cccs2)C1 ZINC000096057734 473281339 /nfs/dbraw/zinc/28/13/39/473281339.db2.gz DIHUDQKMHIJWOJ-IAOVAPTHSA-N 1 1 343.452 2.761 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)s1 ZINC000096057607 473281475 /nfs/dbraw/zinc/28/14/75/473281475.db2.gz QUUZAPGFTBBLEA-USXIJHARSA-N 1 1 334.485 2.658 40 0 EFABMO O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096057374 473281632 /nfs/dbraw/zinc/28/16/32/473281632.db2.gz GGQPCPCZUGWXGH-ZACQAIPSSA-N 1 1 346.452 2.779 40 0 EFABMO COC[C@@H]1C[N@H+](Cc2cnn(C)c2)Cc2cn(CC3CCCC3)nc21 ZINC000096059988 473282538 /nfs/dbraw/zinc/28/25/38/473282538.db2.gz XYTNOMCKOJLZPP-SFHVURJKSA-N 1 1 343.475 2.553 40 0 EFABMO COC[C@@H]1C[N@@H+](Cc2cnn(C)c2)Cc2cn(CC3CCCC3)nc21 ZINC000096059988 473282544 /nfs/dbraw/zinc/28/25/44/473282544.db2.gz XYTNOMCKOJLZPP-SFHVURJKSA-N 1 1 343.475 2.553 40 0 EFABMO CCN(C)c1ncnc2c1CC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000096058795 473283606 /nfs/dbraw/zinc/28/36/06/473283606.db2.gz WDEWRWKYKYELJR-UHFFFAOYSA-N 1 1 326.444 2.542 40 0 EFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3nccs3)C[C@H]12 ZINC000096058458 473283647 /nfs/dbraw/zinc/28/36/47/473283647.db2.gz ODQIBWAKSHFJHS-HKUYNNGSSA-N 1 1 341.480 2.908 40 0 EFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3nccs3)C[C@H]12 ZINC000096058458 473283648 /nfs/dbraw/zinc/28/36/48/473283648.db2.gz ODQIBWAKSHFJHS-HKUYNNGSSA-N 1 1 341.480 2.908 40 0 EFABMO CCOC[C@H]1C[N@@H+](CC2CCOCC2)Cc2ncn(CC3CC3)c21 ZINC000096060335 473283855 /nfs/dbraw/zinc/28/38/55/473283855.db2.gz AVQIVGCOCMYBCT-QGZVFWFLSA-N 1 1 333.476 2.655 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096062462 473284892 /nfs/dbraw/zinc/28/48/92/473284892.db2.gz NQSIMQOPOROGTG-LJQANCHMSA-N 1 1 327.428 2.712 40 0 EFABMO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096062406 473285019 /nfs/dbraw/zinc/28/50/19/473285019.db2.gz SBYRITAAWVPZAV-LJQANCHMSA-N 1 1 343.496 2.868 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061278 473286013 /nfs/dbraw/zinc/28/60/13/473286013.db2.gz BNZWGNPSEMERGT-BJZITVGISA-N 1 1 332.444 2.565 40 0 EFABMO c1cncc(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3CC3CCOCC3)O2)c1 ZINC000096064642 473287863 /nfs/dbraw/zinc/28/78/63/473287863.db2.gz KELPCSPSCATSHY-AABGKKOBSA-N 1 1 346.471 2.647 40 0 EFABMO Cc1occc1C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000096063798 473287935 /nfs/dbraw/zinc/28/79/35/473287935.db2.gz LJDPIBSUUSUNDX-DOTOQJQBSA-N 1 1 344.386 2.705 40 0 EFABMO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]21 ZINC000096066346 473288105 /nfs/dbraw/zinc/28/81/05/473288105.db2.gz DPBLRXMWVMYGPF-FGTMMUONSA-N 1 1 341.411 2.540 40 0 EFABMO C(C1CCOCC1)[N@H+]1CC[C@@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000096070565 473289306 /nfs/dbraw/zinc/28/93/06/473289306.db2.gz DPZVASSNVOMYQJ-HRCADAONSA-N 1 1 333.432 2.526 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072579 473289417 /nfs/dbraw/zinc/28/94/17/473289417.db2.gz VMVOBMKRPPIXAG-PKOBYXMFSA-N 1 1 326.444 2.574 40 0 EFABMO Cc1cccc(N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)[nH+]1 ZINC000096074020 473290315 /nfs/dbraw/zinc/29/03/15/473290315.db2.gz NXODDIJWINJJCE-FQEVSTJZSA-N 1 1 336.439 2.804 40 0 EFABMO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)[C@H]2C1 ZINC000096080531 473290532 /nfs/dbraw/zinc/29/05/32/473290532.db2.gz KCMRLOYMRIECIP-RDJZCZTQSA-N 1 1 327.453 2.532 40 0 EFABMO CC(C)[N@H+]1Cc2ccccc2C2(CCN(C(=O)c3c[nH]cn3)CC2)C1 ZINC000096079524 473290684 /nfs/dbraw/zinc/29/06/84/473290684.db2.gz MJBWPBIFGVIIDF-UHFFFAOYSA-N 1 1 338.455 2.808 40 0 EFABMO CC(C)[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3cnc[nH]3)CC2)C1 ZINC000096079524 473290687 /nfs/dbraw/zinc/29/06/87/473290687.db2.gz MJBWPBIFGVIIDF-UHFFFAOYSA-N 1 1 338.455 2.808 40 0 EFABMO CC(C)[N@H+]1Cc2ccccc2C2(CCN(C(=O)c3cnc[nH]3)CC2)C1 ZINC000096079524 473290696 /nfs/dbraw/zinc/29/06/96/473290696.db2.gz MJBWPBIFGVIIDF-UHFFFAOYSA-N 1 1 338.455 2.808 40 0 EFABMO Cc1cccc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)[nH+]1 ZINC000096074021 473291514 /nfs/dbraw/zinc/29/15/14/473291514.db2.gz NXODDIJWINJJCE-HXUWFJFHSA-N 1 1 336.439 2.804 40 0 EFABMO C[N@@H+](C[C@H]1CO[C@@]2(C1)CCCN(Cc1ccncc1F)C2)C1CC1 ZINC000096075659 473291699 /nfs/dbraw/zinc/29/16/99/473291699.db2.gz TVWAYTZYFNSRCF-HNAYVOBHSA-N 1 1 333.451 2.686 40 0 EFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccn3)C[C@H]12 ZINC000096100390 473296693 /nfs/dbraw/zinc/29/66/93/473296693.db2.gz DPDSYFWIKNYOCV-SFTDATJTSA-N 1 1 335.451 2.846 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107827 473299951 /nfs/dbraw/zinc/29/99/51/473299951.db2.gz NYHDIXCGFSBIRT-MJGOQNOKSA-N 1 1 325.412 2.597 40 0 EFABMO Cc1cc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)no1 ZINC000096106777 473298146 /nfs/dbraw/zinc/29/81/46/473298146.db2.gz RGGNELYKXLUADF-GOSISDBHSA-N 1 1 343.427 2.718 40 0 EFABMO Cc1cc(C[NH+]2CCC3(CO[C@H](COc4ccccn4)C3)CC2)no1 ZINC000096106231 473298996 /nfs/dbraw/zinc/29/89/96/473298996.db2.gz NZGQMQUNRFHWFH-KRWDZBQOSA-N 1 1 343.427 2.828 40 0 EFABMO O=C1[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107112 473299461 /nfs/dbraw/zinc/29/94/61/473299461.db2.gz LHGFZBKYVAYHGY-MSOLQXFVSA-N 1 1 326.396 2.534 40 0 EFABMO c1ccc(O[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096107375 473299782 /nfs/dbraw/zinc/29/97/82/473299782.db2.gz BZYKETGCWGIXIO-MJGOQNOKSA-N 1 1 332.444 2.511 40 0 EFABMO c1ccc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096107331 473300918 /nfs/dbraw/zinc/30/09/18/473300918.db2.gz CRSSZNAWIVKVIO-UXHICEINSA-N 1 1 339.439 2.817 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2cccs2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108572 473301764 /nfs/dbraw/zinc/30/17/64/473301764.db2.gz BJXXWUSNCNMZCF-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CCN(Cc2cccs2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108572 473301769 /nfs/dbraw/zinc/30/17/69/473301769.db2.gz BJXXWUSNCNMZCF-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CCN(Cc2cccs2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108572 473301774 /nfs/dbraw/zinc/30/17/74/473301774.db2.gz BJXXWUSNCNMZCF-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO O=C(COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccs1)C2)N1CCCC1 ZINC000096109213 473301970 /nfs/dbraw/zinc/30/19/70/473301970.db2.gz VKSQNWURMPJLQG-APWZRJJASA-N 1 1 348.512 2.989 40 0 EFABMO Cc1ccnc(OC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2ccsc2)C3)n1 ZINC000096110456 473303468 /nfs/dbraw/zinc/30/34/68/473303468.db2.gz WOSRJTMXMWPSBU-AEFFLSMTSA-N 1 1 345.468 2.907 40 0 EFABMO c1ccc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096110847 473304389 /nfs/dbraw/zinc/30/43/89/473304389.db2.gz YNMBNVRMUXFUEZ-UXHICEINSA-N 1 1 339.439 2.817 40 0 EFABMO O=C(c1cccc(Cl)c1)N1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161587 473319941 /nfs/dbraw/zinc/31/99/41/473319941.db2.gz AQRBOINJPMBDBC-IYBDPMFKSA-N 1 1 341.842 2.939 40 0 EFABMO CCc1cnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)nc1 ZINC000096158087 473317531 /nfs/dbraw/zinc/31/75/31/473317531.db2.gz BGHSUDQZIHYADV-GOSISDBHSA-N 1 1 343.500 2.988 40 0 EFABMO COCC(=O)N1CCC2(CCC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000096158520 473317558 /nfs/dbraw/zinc/31/75/58/473317558.db2.gz HUEPZFSNKFCKHM-UHFFFAOYSA-N 1 1 330.472 2.846 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096158245 473317820 /nfs/dbraw/zinc/31/78/20/473317820.db2.gz HJZXZEILEGWEBA-HXUWFJFHSA-N 1 1 338.455 2.978 40 0 EFABMO Fc1cnc(N2CCC[C@]3(CC[N@H+](Cc4nccs4)C3)C2)nc1 ZINC000096158301 473317879 /nfs/dbraw/zinc/31/78/79/473317879.db2.gz CFUQXEOGBDPTHN-MRXNPFEDSA-N 1 1 333.436 2.565 40 0 EFABMO Fc1cnc(N2CCC[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)nc1 ZINC000096158301 473317888 /nfs/dbraw/zinc/31/78/88/473317888.db2.gz CFUQXEOGBDPTHN-MRXNPFEDSA-N 1 1 333.436 2.565 40 0 EFABMO O=C(c1cnccn1)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096158184 473318157 /nfs/dbraw/zinc/31/81/57/473318157.db2.gz CHMNAZQDJSLTCR-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158244 473318503 /nfs/dbraw/zinc/31/85/03/473318503.db2.gz BEIJTJUMNBSURV-SFHVURJKSA-N 1 1 327.432 2.574 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096159655 473319426 /nfs/dbraw/zinc/31/94/26/473319426.db2.gz ILUXHUALXHTBBI-HXUWFJFHSA-N 1 1 339.414 2.845 40 0 EFABMO C[N@@H+](Cc1cccnc1)[C@H]1CCC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 ZINC000096182904 473324016 /nfs/dbraw/zinc/32/40/16/473324016.db2.gz YCZHTLKOSQLUCQ-NJAFHUGGSA-N 1 1 341.434 2.748 40 0 EFABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Oc2cccc(F)c2)o1 ZINC000096183957 473325526 /nfs/dbraw/zinc/32/55/26/473325526.db2.gz BTKUVXHEXGVRSO-UHFFFAOYSA-N 1 1 348.374 2.663 40 0 EFABMO Cc1nc(CO[C@H]2C[N@H+](Cc3cccc(C)n3)[C@@H]3COC[C@H]23)cs1 ZINC000096185086 473327041 /nfs/dbraw/zinc/32/70/41/473327041.db2.gz BNNTVEHEEXCUFW-KSZLIROESA-N 1 1 345.468 2.571 40 0 EFABMO Cc1nc(CO[C@H]2C[N@@H+](Cc3cccc(C)n3)[C@@H]3COC[C@H]23)cs1 ZINC000096185086 473327048 /nfs/dbraw/zinc/32/70/48/473327048.db2.gz BNNTVEHEEXCUFW-KSZLIROESA-N 1 1 345.468 2.571 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)o1 ZINC000096185084 473327662 /nfs/dbraw/zinc/32/76/62/473327662.db2.gz WCTQLHGBBCJMPG-BBWFWOEESA-N 1 1 334.441 2.769 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)o1 ZINC000096185084 473327669 /nfs/dbraw/zinc/32/76/69/473327669.db2.gz WCTQLHGBBCJMPG-BBWFWOEESA-N 1 1 334.441 2.769 40 0 EFABMO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(C)o1 ZINC000096184671 473327693 /nfs/dbraw/zinc/32/76/93/473327693.db2.gz YQFQAGQQQUNBLH-MSOLQXFVSA-N 1 1 327.428 2.840 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@@H+](Cc1ccncc1)C2 ZINC000096189179 473330784 /nfs/dbraw/zinc/33/07/84/473330784.db2.gz VJLPPLGOCYSIIK-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@H+](Cc1ccncc1)C2 ZINC000096189179 473330794 /nfs/dbraw/zinc/33/07/94/473330794.db2.gz VJLPPLGOCYSIIK-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO CN(Cc1ccco1)Cc1cncc2c1CC[N@H+](C1CCOCC1)C2 ZINC000096189521 473331207 /nfs/dbraw/zinc/33/12/07/473331207.db2.gz QGZKLJYJVCGQPW-UHFFFAOYSA-N 1 1 341.455 2.844 40 0 EFABMO Cc1ccc(C[N@@H+]2CCc3ncc(CNc4ccccn4)n3CC2)o1 ZINC000096197106 473333061 /nfs/dbraw/zinc/33/30/61/473333061.db2.gz UUAPIEAUOJITGY-UHFFFAOYSA-N 1 1 337.427 2.850 40 0 EFABMO c1csc(COCc2cncc3c2CC[N@@H+](C[C@@H]2CCOC2)C3)n1 ZINC000096189425 473330116 /nfs/dbraw/zinc/33/01/16/473330116.db2.gz IUVHFGHPQSGNCZ-AWEZNQCLSA-N 1 1 345.468 2.650 40 0 EFABMO Cc1ccc2c([nH+]1)N(CC1CC1)CCN(C(=O)c1ccncc1F)C2 ZINC000096199078 473335752 /nfs/dbraw/zinc/33/57/52/473335752.db2.gz NVMZLPLEZDADED-UHFFFAOYSA-N 1 1 340.402 2.797 40 0 EFABMO Cc1ccc2c([nH+]1)N(CC1CC1)CCN(C(=O)Cc1ccccn1)C2 ZINC000096199076 473336008 /nfs/dbraw/zinc/33/60/08/473336008.db2.gz MGNNODNBFFDCMM-UHFFFAOYSA-N 1 1 336.439 2.586 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2cccnc2)o1 ZINC000096200867 473336900 /nfs/dbraw/zinc/33/69/00/473336900.db2.gz YAVTYTJFVOCUHH-UXHICEINSA-N 1 1 341.455 2.501 40 0 EFABMO Cc1cccc(CN2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202064 473337076 /nfs/dbraw/zinc/33/70/76/473337076.db2.gz AODHKFAVVHBZCC-NRFANRHFSA-N 1 1 344.499 2.698 40 0 EFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)Cc1cccs1)[C@@H]2C ZINC000096201220 473337494 /nfs/dbraw/zinc/33/74/94/473337494.db2.gz MRRCJFSNTLVCNK-CQSZACIVSA-N 1 1 346.500 2.931 40 0 EFABMO COc1ncccc1CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096201215 473337670 /nfs/dbraw/zinc/33/76/70/473337670.db2.gz RQUFDMFGVWJSRJ-HNNXBMFYSA-N 1 1 343.475 2.704 40 0 EFABMO c1csc(C[N@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)c1 ZINC000096202237 473338002 /nfs/dbraw/zinc/33/80/02/473338002.db2.gz FTCDNDGOQIJNQI-SFHVURJKSA-N 1 1 329.469 2.872 40 0 EFABMO C[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(=O)c1ccoc1)CC2 ZINC000096207071 473343252 /nfs/dbraw/zinc/34/32/52/473343252.db2.gz CNIBUONVVNWCHS-KRWDZBQOSA-N 1 1 332.444 2.633 40 0 EFABMO c1ncn2c1C[N@H+](Cc1ccncc1)C[C@@H](COCc1ccncc1)C2 ZINC000096207369 473343444 /nfs/dbraw/zinc/34/34/44/473343444.db2.gz POTRDGRONLCACX-LJQANCHMSA-N 1 1 349.438 2.522 40 0 EFABMO c1ncn2c1C[N@@H+](Cc1ccncc1)C[C@@H](COCc1ccncc1)C2 ZINC000096207369 473343451 /nfs/dbraw/zinc/34/34/51/473343451.db2.gz POTRDGRONLCACX-LJQANCHMSA-N 1 1 349.438 2.522 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]12)NCC1CC1 ZINC000096207029 473343638 /nfs/dbraw/zinc/34/36/38/473343638.db2.gz SACSRSGMTCBSHS-BRWVUGGUSA-N 1 1 334.485 2.501 40 0 EFABMO c1csc(C[NH+]2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)n1 ZINC000096206304 473340418 /nfs/dbraw/zinc/34/04/18/473340418.db2.gz FVZPRVUDRTYNBS-CQSZACIVSA-N 1 1 331.441 2.741 40 0 EFABMO Cc1cc(CN2CCC3(C[C@H](COCC4CC4)[N@@H+](C)C3)CC2)no1 ZINC000096206396 473340596 /nfs/dbraw/zinc/34/05/96/473340596.db2.gz ULOCGRWIRWZIGG-GOSISDBHSA-N 1 1 333.476 2.696 40 0 EFABMO O=C(CCc1ccccc1)N1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000083250776 473340914 /nfs/dbraw/zinc/34/09/14/473340914.db2.gz GITWAELRMNQJBT-IBGZPJMESA-N 1 1 330.472 2.723 40 0 EFABMO c1ncn2c1C[N@@H+](CCc1ccccc1)C[C@H](COCC1CC1)C2 ZINC000096206230 473341160 /nfs/dbraw/zinc/34/11/60/473341160.db2.gz KOWHMWVMHBYBGD-IBGZPJMESA-N 1 1 325.456 2.984 40 0 EFABMO C[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(=O)c1ccoc1)CC2 ZINC000096207070 473343784 /nfs/dbraw/zinc/34/37/84/473343784.db2.gz CNIBUONVVNWCHS-QGZVFWFLSA-N 1 1 332.444 2.633 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)cc1 ZINC000096208726 473344107 /nfs/dbraw/zinc/34/41/07/473344107.db2.gz XTBLJWUUMIFMSJ-TZIWHRDSSA-N 1 1 342.483 2.995 40 0 EFABMO CCOC[C@@H]1CCC2(CCN(C(=O)C3CCSCC3)CC2)[N@H+]1C ZINC000096208345 473344393 /nfs/dbraw/zinc/34/43/93/473344393.db2.gz CLWNXHXHBBLNST-INIZCTEOSA-N 1 1 340.533 2.622 40 0 EFABMO COC[C@@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@H+]1CC1CC1 ZINC000096209508 473344582 /nfs/dbraw/zinc/34/45/82/473344582.db2.gz RGXSZJJTCBBGNG-SFHVURJKSA-N 1 1 332.488 2.979 40 0 EFABMO C[N@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)c1cscn1)CC2 ZINC000096209078 473344600 /nfs/dbraw/zinc/34/46/00/473344600.db2.gz INVINRAHBIYCKJ-HNNXBMFYSA-N 1 1 349.500 2.639 40 0 EFABMO Fc1cccnc1OC[C@@H]1Cn2cncc2C[N@H+](C2CCCC2)C1 ZINC000096209169 473345564 /nfs/dbraw/zinc/34/55/64/473345564.db2.gz ORJUZOIGECJXNB-AWEZNQCLSA-N 1 1 330.407 2.871 40 0 EFABMO COC[C@@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@H+]1C ZINC000096209510 473345845 /nfs/dbraw/zinc/34/58/45/473345845.db2.gz HHRWPTCXAVWTHU-NFAHFFEMSA-N 1 1 334.485 2.863 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000096215425 473347107 /nfs/dbraw/zinc/34/71/07/473347107.db2.gz KYFPWPZQYMDSRQ-CQSZACIVSA-N 1 1 338.398 2.538 40 0 EFABMO O=C(c1ccccn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215782 473347545 /nfs/dbraw/zinc/34/75/45/473347545.db2.gz SMGUSMCPDSVCSA-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1ccccn1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215782 473347550 /nfs/dbraw/zinc/34/75/50/473347550.db2.gz SMGUSMCPDSVCSA-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000096216087 473347894 /nfs/dbraw/zinc/34/78/94/473347894.db2.gz MOMZTCMMMHOYJH-IBGZPJMESA-N 1 1 331.460 2.906 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2ccoc2)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096209889 473348233 /nfs/dbraw/zinc/34/82/33/473348233.db2.gz UWAZPSIDMZEQMT-KSZLIROESA-N 1 1 347.484 2.766 40 0 EFABMO Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349437 /nfs/dbraw/zinc/34/94/37/473349437.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 1 1 339.487 2.612 40 0 EFABMO Cc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349443 /nfs/dbraw/zinc/34/94/43/473349443.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 1 1 339.487 2.612 40 0 EFABMO Cc1cccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217252 473349448 /nfs/dbraw/zinc/34/94/48/473349448.db2.gz VQSPMTKQGOFQNW-HXUWFJFHSA-N 1 1 339.487 2.612 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2OCC[C@@]2(COc2cccnc2)C1 ZINC000096218563 473352102 /nfs/dbraw/zinc/35/21/02/473352102.db2.gz APOZPRWWFAFKPO-MOPGFXCFSA-N 1 1 343.427 2.746 40 0 EFABMO C[N@H+]1C[C@H](COCc2ccccn2)[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096219368 473352343 /nfs/dbraw/zinc/35/23/43/473352343.db2.gz QGEWELSZQYSZKH-UYAOXDASSA-N 1 1 341.455 2.645 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)Cc1ccco1)CC2 ZINC000096219327 473352572 /nfs/dbraw/zinc/35/25/72/473352572.db2.gz NCKSIVMPLNJTFR-INIZCTEOSA-N 1 1 334.460 2.560 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096219771 473353036 /nfs/dbraw/zinc/35/30/36/473353036.db2.gz WDNLJTAXRWXEAW-YJBOKZPZSA-N 1 1 344.484 2.716 40 0 EFABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(Cc1ccc3ccccc3n1)C2 ZINC000096219901 473353526 /nfs/dbraw/zinc/35/35/26/473353526.db2.gz QCIHNZJPPNJGQP-YLJYHZDGSA-N 1 1 325.456 2.635 40 0 EFABMO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096224434 473355428 /nfs/dbraw/zinc/35/54/28/473355428.db2.gz FYHYAVAXNCNVID-IBGZPJMESA-N 1 1 325.412 2.689 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096224311 473355799 /nfs/dbraw/zinc/35/57/99/473355799.db2.gz UBVXIEVVVLHIDX-IBGZPJMESA-N 1 1 325.412 2.689 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)CO1 ZINC000096224949 473357029 /nfs/dbraw/zinc/35/70/29/473357029.db2.gz FQZRRQFOEMBVDK-GOSISDBHSA-N 1 1 345.487 2.823 40 0 EFABMO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)s1 ZINC000096226500 473357212 /nfs/dbraw/zinc/35/72/12/473357212.db2.gz ZEPFGQPEFSUTBG-GOSISDBHSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)s1 ZINC000096226500 473357217 /nfs/dbraw/zinc/35/72/17/473357217.db2.gz ZEPFGQPEFSUTBG-GOSISDBHSA-N 1 1 344.484 2.718 40 0 EFABMO c1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096229057 473359063 /nfs/dbraw/zinc/35/90/63/473359063.db2.gz DHOJHVAMWYXOBG-HXUWFJFHSA-N 1 1 338.455 2.596 40 0 EFABMO c1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096229054 473359735 /nfs/dbraw/zinc/35/97/35/473359735.db2.gz UAEKZOHVANEGJB-FQEVSTJZSA-N 1 1 338.455 2.596 40 0 EFABMO Cc1nc(CN2C[C@@]3(CC[N@@H+](Cc4ccco4)C3)CC2=O)cs1 ZINC000096239361 473360873 /nfs/dbraw/zinc/36/08/73/473360873.db2.gz YIUCWUDKKJMTEH-KRWDZBQOSA-N 1 1 331.441 2.669 40 0 EFABMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4nccn4C)C3)CC2=O)cc1C ZINC000096239042 473360923 /nfs/dbraw/zinc/36/09/23/473360923.db2.gz BAHKTUDWPOMKRM-HXUWFJFHSA-N 1 1 338.455 2.666 40 0 EFABMO Cc1ccc(N2C[C@]3(CC[N@H+](Cc4nccn4C)C3)CC2=O)cc1C ZINC000096239042 473360927 /nfs/dbraw/zinc/36/09/27/473360927.db2.gz BAHKTUDWPOMKRM-HXUWFJFHSA-N 1 1 338.455 2.666 40 0 EFABMO COc1ccc2c(c1)C1(CCN(C(=O)c3ccoc3)CC1)[N@H+](C)CC2 ZINC000096242673 473361654 /nfs/dbraw/zinc/36/16/54/473361654.db2.gz OEBNPPJCCBMVGH-UHFFFAOYSA-N 1 1 340.423 2.908 40 0 EFABMO Cc1nc(CN2CCO[C@H]3C[N@H+](Cc4ccsc4)C[C@H]32)cs1 ZINC000096248766 473363760 /nfs/dbraw/zinc/36/37/60/473363760.db2.gz OGHPMOGGTDTORB-CVEARBPZSA-N 1 1 335.498 2.598 40 0 EFABMO Cc1nc(CN2CCO[C@H]3C[N@@H+](Cc4ccsc4)C[C@H]32)cs1 ZINC000096248766 473363766 /nfs/dbraw/zinc/36/37/66/473363766.db2.gz OGHPMOGGTDTORB-CVEARBPZSA-N 1 1 335.498 2.598 40 0 EFABMO c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1[C@H]2N1CCOCC1 ZINC000096251708 473364149 /nfs/dbraw/zinc/36/41/49/473364149.db2.gz GFNQXXROXBVVLH-ACRUOGEOSA-N 1 1 335.451 2.684 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@H]3C[C@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096250788 473364214 /nfs/dbraw/zinc/36/42/14/473364214.db2.gz IZJCLAVNLHTZHQ-HOJAQTOUSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@H]3C[C@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096250788 473364219 /nfs/dbraw/zinc/36/42/19/473364219.db2.gz IZJCLAVNLHTZHQ-HOJAQTOUSA-N 1 1 339.439 2.673 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)n1 ZINC000096245317 473364933 /nfs/dbraw/zinc/36/49/33/473364933.db2.gz FANPYNDXYJCLLP-LPHOPBHVSA-N 1 1 339.414 2.620 40 0 EFABMO O=C1[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CCN1Cc1ccncc1 ZINC000096249091 473364984 /nfs/dbraw/zinc/36/49/84/473364984.db2.gz RYNLUJVHOCQDOL-DOTOQJQBSA-N 1 1 327.453 2.624 40 0 EFABMO Cn1cc(-c2ncnc3c2CC[N@@H+](Cc2cccs2)CC3)cn1 ZINC000096255186 473366450 /nfs/dbraw/zinc/36/64/50/473366450.db2.gz FZDBRIJVOGABLG-UHFFFAOYSA-N 1 1 325.441 2.539 40 0 EFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1ccccc1)CCC2 ZINC000096259215 473368517 /nfs/dbraw/zinc/36/85/17/473368517.db2.gz BYOUCDQOUBSBBL-UHFFFAOYSA-N 1 1 326.444 2.769 40 0 EFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1ccccc1)CCC2 ZINC000096259215 473368524 /nfs/dbraw/zinc/36/85/24/473368524.db2.gz BYOUCDQOUBSBBL-UHFFFAOYSA-N 1 1 326.444 2.769 40 0 EFABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4C)C[C@@H]32)C(=O)N1C ZINC000096261586 473369135 /nfs/dbraw/zinc/36/91/35/473369135.db2.gz LQUYAYKCTUBAMB-FUHIMQAGSA-N 1 1 325.456 2.856 40 0 EFABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1 ZINC000096261568 473369252 /nfs/dbraw/zinc/36/92/52/473369252.db2.gz FEZXTZCFKKWPPO-QIIPPGSGSA-N 1 1 331.847 2.859 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSC(C)(C)C ZINC000096407626 473386147 /nfs/dbraw/zinc/38/61/47/473386147.db2.gz AAFSRAINGCPTQI-ZBFHGGJFSA-N 1 1 335.517 2.940 40 0 EFABMO CC[C@@H]1CN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C[C@H](C)O1 ZINC000096408938 473386525 /nfs/dbraw/zinc/38/65/25/473386525.db2.gz XSIZTRUPACPMRC-DOTOQJQBSA-N 1 1 346.475 2.568 40 0 EFABMO C[C@H](c1ccc(NC(=O)NCc2ccncc2)cc1)[NH+]1CCOCC1 ZINC000096410658 473388946 /nfs/dbraw/zinc/38/89/46/473388946.db2.gz KWDPPLJNTGDBKX-OAHLLOKOSA-N 1 1 340.427 2.797 40 0 EFABMO Nc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC000000004748 471317150 /nfs/dbraw/zinc/31/71/50/471317150.db2.gz DLNAKYFPFYUBDR-HDICACEKSA-N 1 1 335.451 2.863 40 0 in-man EFABMO C[N@H+]1CCC[C@@H](OC(=O)c2ccccc2I)C1 ZINC000003258772 471438478 /nfs/dbraw/zinc/43/84/78/471438478.db2.gz JWNYCJIVZCFMFJ-SNVBAGLBSA-N 1 1 345.180 2.542 40 0 EFABMO CC[N@H+](CC(=O)NC(C)C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000006881597 471576834 /nfs/dbraw/zinc/57/68/34/471576834.db2.gz XVDDFNNDGSMZMA-UHFFFAOYSA-N 1 1 330.428 2.756 40 0 EFABMO CC[N@@H+](CC(=O)NC(C)C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000006881597 471576840 /nfs/dbraw/zinc/57/68/40/471576840.db2.gz XVDDFNNDGSMZMA-UHFFFAOYSA-N 1 1 330.428 2.756 40 0 EFABMO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007664699 471627652 /nfs/dbraw/zinc/62/76/52/471627652.db2.gz RURLKMBNJNAFPD-AWEZNQCLSA-N 1 1 338.407 2.825 40 0 EFABMO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007664699 471627656 /nfs/dbraw/zinc/62/76/56/471627656.db2.gz RURLKMBNJNAFPD-AWEZNQCLSA-N 1 1 338.407 2.825 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000012292394 471770827 /nfs/dbraw/zinc/77/08/27/471770827.db2.gz IEXJXWCUJQTYAV-QUCCMNQESA-N 1 1 345.414 2.851 40 0 EFABMO CCCCOc1ccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000012444471 471775992 /nfs/dbraw/zinc/77/59/92/471775992.db2.gz XVHYMZJRLSRBJZ-UHFFFAOYSA-N 1 1 342.443 2.561 40 0 EFABMO FC(F)(F)c1cccc(NC(=S)NCCC[NH+]2CCOCC2)c1 ZINC000012543418 471780860 /nfs/dbraw/zinc/78/08/60/471780860.db2.gz NVJIAYYFPFAWAA-UHFFFAOYSA-N 1 1 347.406 2.714 40 0 EFABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4ccc(O)cc4)C3)cc(N)n2n1 ZINC000012667343 471788638 /nfs/dbraw/zinc/78/86/38/471788638.db2.gz AJSMCEJNMHBPKG-HNNXBMFYSA-N 1 1 337.427 2.705 40 0 EFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000012995240 471810642 /nfs/dbraw/zinc/81/06/42/471810642.db2.gz UVAUWYDLELITKG-UHFFFAOYSA-N 1 1 328.387 2.588 40 0 EFABMO CCSc1ccccc1C(=O)N1CCN(c2[nH+]ccn2CC)CC1 ZINC000013693738 471838624 /nfs/dbraw/zinc/83/86/24/471838624.db2.gz HLKLZVFLKIPODD-UHFFFAOYSA-N 1 1 344.484 2.977 40 0 EFABMO O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc2ccccc21 ZINC000013942785 471845765 /nfs/dbraw/zinc/84/57/65/471845765.db2.gz XTSQBPYKRQYRGP-FGTMMUONSA-N 1 1 337.423 2.568 40 0 EFABMO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000014159455 471856531 /nfs/dbraw/zinc/85/65/31/471856531.db2.gz FLHMYVKYPFZKMR-ZDUSSCGKSA-N 1 1 333.457 2.928 40 0 EFABMO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674432 471913977 /nfs/dbraw/zinc/91/39/77/471913977.db2.gz QVNSLJIMBSOEGD-CVEARBPZSA-N 1 1 328.416 2.820 40 0 biogenic,in-vitro EFABMO Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000015674515 471914610 /nfs/dbraw/zinc/91/46/10/471914610.db2.gz UENMZHLAVJCRRU-SJORKVTESA-N 1 1 336.395 2.748 40 0 biogenic,in-vitro EFABMO Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000015674515 471914615 /nfs/dbraw/zinc/91/46/15/471914615.db2.gz UENMZHLAVJCRRU-SJORKVTESA-N 1 1 336.395 2.748 40 0 biogenic,in-vitro EFABMO C[N@H+](CCOc1ccccc1F)CC(=O)NCc1ccc(F)cc1 ZINC000016922960 471952225 /nfs/dbraw/zinc/95/22/25/471952225.db2.gz HTNHGSPSYLKUAZ-UHFFFAOYSA-N 1 1 334.366 2.592 40 0 EFABMO C[N@@H+](CCOc1ccccc1F)CC(=O)NCc1ccc(F)cc1 ZINC000016922960 471952227 /nfs/dbraw/zinc/95/22/27/471952227.db2.gz HTNHGSPSYLKUAZ-UHFFFAOYSA-N 1 1 334.366 2.592 40 0 EFABMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC000017803901 471964710 /nfs/dbraw/zinc/96/47/10/471964710.db2.gz CACBTTLDUVKCOD-IBGZPJMESA-N 1 1 326.440 2.926 40 0 EFABMO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2cccs2)CC1 ZINC000019240336 471978370 /nfs/dbraw/zinc/97/83/70/471978370.db2.gz UNCIKMXBNMNTJP-UHFFFAOYSA-N 1 1 331.466 2.886 40 0 EFABMO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2cccs2)CC1 ZINC000019240336 471978377 /nfs/dbraw/zinc/97/83/77/471978377.db2.gz UNCIKMXBNMNTJP-UHFFFAOYSA-N 1 1 331.466 2.886 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019496726 471980229 /nfs/dbraw/zinc/98/02/29/471980229.db2.gz CVRMGYUNTNXTCP-GHTZIAJQSA-N 1 1 340.467 2.622 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H](c3ccc4c(N)ncnc4n3)C2)cc1 ZINC000019704881 471983406 /nfs/dbraw/zinc/98/34/06/471983406.db2.gz RTLVFXRYIWPSSV-AWEZNQCLSA-N 1 1 335.411 2.605 40 0 EFABMO CNc1cc(C[N@@H+](C)CC(C)(C)C)nc([C@@H]2CCCN2C(C)=O)n1 ZINC000019759908 471984997 /nfs/dbraw/zinc/98/49/97/471984997.db2.gz KVGJANGNAGMTSS-HNNXBMFYSA-N 1 1 333.480 2.680 40 0 EFABMO C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503484 471990347 /nfs/dbraw/zinc/99/03/47/471990347.db2.gz UTQISLHZBQPBEW-OZRQEOMLSA-N 1 1 340.423 2.586 40 0 biogenic,in-vitro EFABMO C[C@@]1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1(Cl)Cl ZINC000022870410 472022583 /nfs/dbraw/zinc/02/25/83/472022583.db2.gz PRNSFLYYNOBLAB-AWEZNQCLSA-N 1 1 349.302 2.722 40 0 EFABMO CC(C)(C)c1ccc(CCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000023227798 472028253 /nfs/dbraw/zinc/02/82/53/472028253.db2.gz QGVXPSRCEXLVNF-UHFFFAOYSA-N 1 1 332.488 2.755 40 0 EFABMO C[NH+]1CCN(C(=O)Cc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000041127120 472046130 /nfs/dbraw/zinc/04/61/30/472046130.db2.gz DACNCNFUSJBZHL-UHFFFAOYSA-N 1 1 335.407 2.811 40 0 EFABMO CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3cnccn3)CC2)c1C ZINC000027631610 472187342 /nfs/dbraw/zinc/18/73/42/472187342.db2.gz NBFQZRJBYTXDSW-UHFFFAOYSA-N 1 1 338.455 2.927 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1F ZINC000042985798 472187786 /nfs/dbraw/zinc/18/77/86/472187786.db2.gz NEEBCCSWLURNPW-AWEZNQCLSA-N 1 1 342.461 2.777 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1F ZINC000042985800 472188148 /nfs/dbraw/zinc/18/81/48/472188148.db2.gz NEEBCCSWLURNPW-CQSZACIVSA-N 1 1 342.461 2.777 40 0 EFABMO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220954 472216904 /nfs/dbraw/zinc/21/69/04/472216904.db2.gz JTRSLFFZYOZOII-WBVHZDCISA-N 1 1 336.863 2.847 40 0 EFABMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)Nc2cccs2)CC1 ZINC000085468306 472251920 /nfs/dbraw/zinc/25/19/20/472251920.db2.gz RKUFYCKPMDVSJX-AWEZNQCLSA-N 1 1 336.505 2.628 40 0 EFABMO CCc1ccc(C(=O)N2CCC(C[N@H+]3CCN(C)C[C@@H]3C)CC2)cc1 ZINC000085468152 472252005 /nfs/dbraw/zinc/25/20/05/472252005.db2.gz VYDIUPFTZHBFNC-KRWDZBQOSA-N 1 1 343.515 2.737 40 0 EFABMO COc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030029155 472312083 /nfs/dbraw/zinc/31/20/83/472312083.db2.gz LBAOKEVPZLXSOR-KRWDZBQOSA-N 1 1 340.423 2.589 40 0 EFABMO COc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030029155 472312088 /nfs/dbraw/zinc/31/20/88/472312088.db2.gz LBAOKEVPZLXSOR-KRWDZBQOSA-N 1 1 340.423 2.589 40 0 EFABMO Cc1cc(Cl)ccc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000076329918 472321486 /nfs/dbraw/zinc/32/14/86/472321486.db2.gz HDLJFCSSFNCPAZ-CYBMUJFWSA-N 1 1 338.883 2.653 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(C)cc1 ZINC000044884477 472347489 /nfs/dbraw/zinc/34/74/89/472347489.db2.gz LUJUSAPINBRWEW-UHFFFAOYSA-N 1 1 341.436 2.968 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000076472126 472352432 /nfs/dbraw/zinc/35/24/32/472352432.db2.gz WEMFGYJMXZCRSH-UYAOXDASSA-N 1 1 343.515 2.666 40 0 EFABMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)CCCO)cc1F ZINC000088614221 472378073 /nfs/dbraw/zinc/37/80/73/472378073.db2.gz JMGVCICEMRQRHQ-QWHCGFSZSA-N 1 1 348.422 2.841 40 0 EFABMO COc1cccc(F)c1OC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC000089237065 472396647 /nfs/dbraw/zinc/39/66/47/472396647.db2.gz VAPAKWFYAQWDHY-UHFFFAOYSA-N 1 1 327.315 2.943 40 0 EFABMO Cc1cccc(N2CCC(NC(=O)c3cccc4c3OCO4)CC2)[nH+]1 ZINC000116666802 472424782 /nfs/dbraw/zinc/42/47/82/472424782.db2.gz JJFCODLXJHLASP-UHFFFAOYSA-N 1 1 339.395 2.518 40 0 EFABMO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)[N@@H+]1CCc2sccc2C1 ZINC000032428804 472433083 /nfs/dbraw/zinc/43/30/83/472433083.db2.gz YJEFIUKQLIZMNX-DYVFJYSZSA-N 1 1 342.464 2.615 40 0 EFABMO C[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)[N@H+]1CCc2sccc2C1 ZINC000032428804 472433094 /nfs/dbraw/zinc/43/30/94/472433094.db2.gz YJEFIUKQLIZMNX-DYVFJYSZSA-N 1 1 342.464 2.615 40 0 EFABMO Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000076981450 472438150 /nfs/dbraw/zinc/43/81/50/472438150.db2.gz OEZHILIETPXKMN-SWLSCSKDSA-N 1 1 336.505 2.947 40 0 EFABMO C[C@H](C[N@H+]1CCCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103881 472448984 /nfs/dbraw/zinc/44/89/84/472448984.db2.gz ACHHXTRQFJWOEW-OAHLLOKOSA-N 1 1 337.895 2.539 40 0 EFABMO Cc1cc(F)ccc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000045744729 472452366 /nfs/dbraw/zinc/45/23/66/472452366.db2.gz YVQCLFWAHQFHGW-ZDUSSCGKSA-N 1 1 328.453 2.534 40 0 EFABMO CSc1ncc(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cn1 ZINC000057822983 472479146 /nfs/dbraw/zinc/47/91/46/472479146.db2.gz YPYLKBSRLVVDQH-UHFFFAOYSA-N 1 1 329.469 2.991 40 0 EFABMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000032929492 472482852 /nfs/dbraw/zinc/48/28/52/472482852.db2.gz JCHHVVABLIMIRB-HNNXBMFYSA-N 1 1 332.469 2.850 40 0 EFABMO COc1ccc(C[N@@H+]2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cc1 ZINC000077266849 472490302 /nfs/dbraw/zinc/49/03/02/472490302.db2.gz VAHARJCRBJOHGE-GOSISDBHSA-N 1 1 343.471 2.950 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@H+]2CCN3C(=O)N(C4CCCCC4)C[C@H]3C2)cc1 ZINC000077266849 472490309 /nfs/dbraw/zinc/49/03/09/472490309.db2.gz VAHARJCRBJOHGE-GOSISDBHSA-N 1 1 343.471 2.950 40 0 biogenic,in-vitro EFABMO CCCOC(=O)c1cc(N)c(N2CC[NH+](CC)CC2)c(Cl)c1 ZINC000070462675 472498755 /nfs/dbraw/zinc/49/87/55/472498755.db2.gz RFPKPOUXNUWZQF-UHFFFAOYSA-N 1 1 325.840 2.631 40 0 EFABMO Cc1nc(-c2cccc(CNC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)n[nH]1 ZINC000089897658 472538962 /nfs/dbraw/zinc/53/89/62/472538962.db2.gz QKUKMWDIVDITBL-HZSPNIEDSA-N 1 1 341.459 2.658 40 0 EFABMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000072012768 472629131 /nfs/dbraw/zinc/62/91/31/472629131.db2.gz CIPHESLRTBRJDI-ZDUSSCGKSA-N 1 1 344.846 2.740 40 0 EFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000046960534 472632688 /nfs/dbraw/zinc/63/26/88/472632688.db2.gz PGHBYXHEWJIUMG-INIZCTEOSA-N 1 1 343.471 2.665 40 0 EFABMO CC[C@@H](O)c1c[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000072223656 472634579 /nfs/dbraw/zinc/63/45/79/472634579.db2.gz UYVLVQQXDRSPJJ-OAHLLOKOSA-N 1 1 335.448 2.891 40 0 EFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000072227699 472634641 /nfs/dbraw/zinc/63/46/41/472634641.db2.gz PIMJTRDBCKDLPU-HOTGVXAUSA-N 1 1 330.771 2.526 40 0 EFABMO C[N@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216448 472635259 /nfs/dbraw/zinc/63/52/59/472635259.db2.gz SRTFMEMUFVKIDP-MRXNPFEDSA-N 1 1 346.475 2.905 40 0 EFABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000072228127 472635906 /nfs/dbraw/zinc/63/59/06/472635906.db2.gz NAWXXPUESKEHTB-GJZGRUSLSA-N 1 1 331.213 2.860 40 0 EFABMO CCOc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228067 472636061 /nfs/dbraw/zinc/63/60/61/472636061.db2.gz CRSVQWIHIPFAJZ-ROUUACIJSA-N 1 1 342.395 2.518 40 0 EFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228013 472636325 /nfs/dbraw/zinc/63/63/25/472636325.db2.gz IUTPTDDYDSFIBX-MSOLQXFVSA-N 1 1 326.396 2.681 40 0 EFABMO CCc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228012 472636490 /nfs/dbraw/zinc/63/64/90/472636490.db2.gz IUTPTDDYDSFIBX-QZTJIDSGSA-N 1 1 326.396 2.681 40 0 EFABMO Cc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000120224492 472652153 /nfs/dbraw/zinc/65/21/53/472652153.db2.gz AOYARIGIQDABDT-AWEZNQCLSA-N 1 1 337.851 2.834 40 0 EFABMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000072335454 472661689 /nfs/dbraw/zinc/66/16/89/472661689.db2.gz XAKDTXZSFIIPDS-UHFFFAOYSA-N 1 1 344.503 2.945 40 0 EFABMO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](CC[C@@]34Nc3ccccc3C(=O)N4)C2)n1 ZINC000072326857 472662208 /nfs/dbraw/zinc/66/22/08/472662208.db2.gz QWOWYJYNOKTMEM-YWMUFLPLSA-N 1 1 348.450 2.784 40 0 EFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000047276223 472683218 /nfs/dbraw/zinc/68/32/18/472683218.db2.gz CPGWSGWTPYWVAK-UHFFFAOYSA-N 1 1 328.387 2.588 40 0 EFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1F ZINC000047276234 472683619 /nfs/dbraw/zinc/68/36/19/472683619.db2.gz MYUPGGHWLMCDDT-UHFFFAOYSA-N 1 1 328.387 2.588 40 0 EFABMO COC(=O)c1c(NC(=O)[C@H]2CCC[N@@H+](C)C2)sc2c1CCCC2 ZINC000078578532 472737141 /nfs/dbraw/zinc/73/71/41/472737141.db2.gz XMUDQGQWAITROE-NSHDSACASA-N 1 1 336.457 2.694 40 0 EFABMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000157855516 472865773 /nfs/dbraw/zinc/86/57/73/472865773.db2.gz YXZLIXJEDLBQLP-LPHOPBHVSA-N 1 1 344.499 2.962 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073743310 472866805 /nfs/dbraw/zinc/86/68/05/472866805.db2.gz LLJQXLOLNPSYTN-MRXNPFEDSA-N 1 1 331.460 2.523 40 0 EFABMO O=C(c1ccc2c(c1)COCO2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000073880562 472894505 /nfs/dbraw/zinc/89/45/05/472894505.db2.gz RZSJGJBSLJKZNY-UHFFFAOYSA-N 1 1 330.428 2.644 40 0 EFABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3ccccc3F)C2)o1 ZINC000049170457 472933450 /nfs/dbraw/zinc/93/34/50/472933450.db2.gz RXCIDISFOWKGLB-ZDUSSCGKSA-N 1 1 327.363 2.599 40 0 biogenic,in-vitro EFABMO Cc1cccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)n1 ZINC000107226201 472934863 /nfs/dbraw/zinc/93/48/63/472934863.db2.gz FAJHCCKMABPPJX-VQIMIIECSA-N 1 1 342.418 2.770 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000107226570 472935033 /nfs/dbraw/zinc/93/50/33/472935033.db2.gz BSMISWUCEVVFHF-CJNGLKHVSA-N 1 1 334.420 2.523 40 0 EFABMO Fc1cccnc1N[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000107228487 472935150 /nfs/dbraw/zinc/93/51/50/472935150.db2.gz QPMYOHBLITWRLZ-APWZRJJASA-N 1 1 342.418 2.851 40 0 EFABMO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](C[C@H]1CCOC1)C2 ZINC000107271484 472937301 /nfs/dbraw/zinc/93/73/01/472937301.db2.gz RUSURTAEFBHMCT-GOSISDBHSA-N 1 1 338.455 2.644 40 0 EFABMO O=C([C@@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1)N1CCCC1 ZINC000107274833 472937782 /nfs/dbraw/zinc/93/77/82/472937782.db2.gz AFQPIPVIRUXUAT-ICSRJNTNSA-N 1 1 326.440 2.519 40 0 EFABMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092666329 472957843 /nfs/dbraw/zinc/95/78/43/472957843.db2.gz GOGIOPOTUBKFRB-HDICACEKSA-N 1 1 347.551 2.629 40 0 EFABMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000065514724 472961048 /nfs/dbraw/zinc/96/10/48/472961048.db2.gz CESIPWNCKGHGNU-MRXNPFEDSA-N 1 1 347.418 2.945 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731390 472979369 /nfs/dbraw/zinc/97/93/69/472979369.db2.gz ZSUPZBRVNNTAMD-IEBWSBKVSA-N 1 1 327.428 2.888 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nc1 ZINC000107731191 472979567 /nfs/dbraw/zinc/97/95/67/472979567.db2.gz OBHLCDRQUBATGK-NVXWUHKLSA-N 1 1 348.447 2.913 40 0 EFABMO CC(C)[N@H+](C)C[C@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 ZINC000107739535 472980254 /nfs/dbraw/zinc/98/02/54/472980254.db2.gz QPYBOZQNUNPMEE-AEFFLSMTSA-N 1 1 338.517 2.838 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 ZINC000107739535 472980261 /nfs/dbraw/zinc/98/02/61/472980261.db2.gz QPYBOZQNUNPMEE-AEFFLSMTSA-N 1 1 338.517 2.838 40 0 EFABMO CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1cccs1)C2 ZINC000107738633 472980397 /nfs/dbraw/zinc/98/03/97/472980397.db2.gz WQGHIKMQBOWTSA-SJLPKXTDSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1cccs1)C2 ZINC000107738633 472980401 /nfs/dbraw/zinc/98/04/01/472980401.db2.gz WQGHIKMQBOWTSA-SJLPKXTDSA-N 1 1 338.517 2.696 40 0 EFABMO Cc1ccc(CN2CCO[C@@H]3[C@H](COCC[NH+](C)C)CC[C@@H]32)s1 ZINC000107747126 472980706 /nfs/dbraw/zinc/98/07/06/472980706.db2.gz HEYIOBUAGCPJTH-RYQLBKOJSA-N 1 1 338.517 2.614 40 0 EFABMO COCCNC(=O)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000108528747 473035428 /nfs/dbraw/zinc/03/54/28/473035428.db2.gz HCMCOVBFOGMSKY-VQIMIIECSA-N 1 1 334.435 2.581 40 0 EFABMO Fc1cccc(C[N@H+]2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3C2)c1 ZINC000108531449 473035969 /nfs/dbraw/zinc/03/59/69/473035969.db2.gz YVZPUOSOHKWELG-PMACEKPBSA-N 1 1 341.430 2.696 40 0 EFABMO CC(C)[C@@H](CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1)[NH+]1CCOCC1 ZINC000109008631 473074874 /nfs/dbraw/zinc/07/48/74/473074874.db2.gz FUPUAMLDLIVEPR-NMBGWOKNSA-N 1 1 346.471 2.889 40 0 EFABMO C[C@H]1C[C@H](N(C)C(=O)COCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000096413964 473393505 /nfs/dbraw/zinc/39/35/05/473393505.db2.gz GSJZLFRBJYMDHX-QFBILLFUSA-N 1 1 330.472 2.925 40 0 EFABMO CC[C@@]1(C)CN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000190822418 473401837 /nfs/dbraw/zinc/40/18/37/473401837.db2.gz GRASBDFWZKUIFY-MDZRGWNJSA-N 1 1 337.508 2.850 40 0 EFABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCOC1 ZINC000096423836 473402195 /nfs/dbraw/zinc/40/21/95/473402195.db2.gz CLJJHANCPVSLAZ-SFHVURJKSA-N 1 1 342.439 2.954 40 0 EFABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCOC1 ZINC000096423836 473402202 /nfs/dbraw/zinc/40/22/02/473402202.db2.gz CLJJHANCPVSLAZ-SFHVURJKSA-N 1 1 342.439 2.954 40 0 EFABMO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424310 473402965 /nfs/dbraw/zinc/40/29/65/473402965.db2.gz ATRFTBDBEAFKDS-IFXJQAMLSA-N 1 1 347.409 2.772 40 0 EFABMO Cc1nc(C2CCCC2)sc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000096431039 473410110 /nfs/dbraw/zinc/41/01/10/473410110.db2.gz KIIQMZKXKMDXGB-UHFFFAOYSA-N 1 1 347.488 2.839 40 0 EFABMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)CC1 ZINC000096432182 473410804 /nfs/dbraw/zinc/41/08/04/473410804.db2.gz GVILURGVPDIHEY-QGZVFWFLSA-N 1 1 343.471 2.608 40 0 EFABMO O=C(CCCc1nc(C2CC2)no1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000096431851 473410850 /nfs/dbraw/zinc/41/08/50/473410850.db2.gz RJXAZHQCEUGRAT-INIZCTEOSA-N 1 1 346.475 2.650 40 0 EFABMO C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436383 473416542 /nfs/dbraw/zinc/41/65/42/473416542.db2.gz CIGSBHIZKVZXKV-HOCLYGCPSA-N 1 1 345.468 2.611 40 0 EFABMO C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436383 473416549 /nfs/dbraw/zinc/41/65/49/473416549.db2.gz CIGSBHIZKVZXKV-HOCLYGCPSA-N 1 1 345.468 2.611 40 0 EFABMO C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436382 473416987 /nfs/dbraw/zinc/41/69/87/473416987.db2.gz CIGSBHIZKVZXKV-GDBMZVCRSA-N 1 1 345.468 2.611 40 0 EFABMO C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436382 473416995 /nfs/dbraw/zinc/41/69/95/473416995.db2.gz CIGSBHIZKVZXKV-GDBMZVCRSA-N 1 1 345.468 2.611 40 0 EFABMO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000096439870 473417975 /nfs/dbraw/zinc/41/79/75/473417975.db2.gz MUABDEMJMCWDES-QRVBRYPASA-N 1 1 345.487 2.512 40 0 EFABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)n(C)n1 ZINC000096441183 473420527 /nfs/dbraw/zinc/42/05/27/473420527.db2.gz MRBMGOBDIHEPAC-GOSISDBHSA-N 1 1 340.471 2.713 40 0 EFABMO Cc1c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cnn1C ZINC000096443921 473420864 /nfs/dbraw/zinc/42/08/64/473420864.db2.gz YVYOSXMDPZCNSW-AWEZNQCLSA-N 1 1 342.443 2.701 40 0 EFABMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000096453069 473428382 /nfs/dbraw/zinc/42/83/82/473428382.db2.gz HOTXXKVAQKQVJX-HNNXBMFYSA-N 1 1 342.443 2.825 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)NC[C@]3(C)CCCS3)CC2)[nH+]c1 ZINC000096467195 473435092 /nfs/dbraw/zinc/43/50/92/473435092.db2.gz IPCSTTOWZJXUBG-SFHVURJKSA-N 1 1 348.516 2.944 40 0 EFABMO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000096468637 473435906 /nfs/dbraw/zinc/43/59/06/473435906.db2.gz NIQSTYVCHYHEIP-CABCVRRESA-N 1 1 347.415 2.883 40 0 EFABMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)no1 ZINC000096468637 473435913 /nfs/dbraw/zinc/43/59/13/473435913.db2.gz NIQSTYVCHYHEIP-CABCVRRESA-N 1 1 347.415 2.883 40 0 EFABMO Cc1cncc(C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)c1 ZINC000096481319 473442586 /nfs/dbraw/zinc/44/25/86/473442586.db2.gz MIOXCQWTYJHKSU-MRXNPFEDSA-N 1 1 326.400 2.623 40 0 EFABMO Cc1cncc(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)c1 ZINC000096481321 473442614 /nfs/dbraw/zinc/44/26/14/473442614.db2.gz MIOXCQWTYJHKSU-INIZCTEOSA-N 1 1 326.400 2.623 40 0 EFABMO Cc1nccn1CCC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000096485960 473445123 /nfs/dbraw/zinc/44/51/23/473445123.db2.gz BINBEMNIZBJOAO-KRWDZBQOSA-N 1 1 332.492 2.743 40 0 EFABMO COc1ccc([C@@H]2C[C@@H](C)C[N@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490058 473445535 /nfs/dbraw/zinc/44/55/35/473445535.db2.gz KICXWZNZWHGSPQ-CJNGLKHVSA-N 1 1 325.474 2.901 40 0 EFABMO CC[N@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000096489457 473446094 /nfs/dbraw/zinc/44/60/94/473446094.db2.gz UPJPURLQJWTPRD-GOSISDBHSA-N 1 1 330.453 2.758 40 0 EFABMO CC[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000096489457 473446102 /nfs/dbraw/zinc/44/61/02/473446102.db2.gz UPJPURLQJWTPRD-GOSISDBHSA-N 1 1 330.453 2.758 40 0 EFABMO C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1ccccc1Br ZINC000096490706 473446739 /nfs/dbraw/zinc/44/67/39/473446739.db2.gz AYRNHZZOXJEYTD-LBPRGKRZSA-N 1 1 348.244 2.811 40 0 EFABMO COc1ccc([C@H]2C[C@@H](C)C[N@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490055 473446921 /nfs/dbraw/zinc/44/69/21/473446921.db2.gz KICXWZNZWHGSPQ-CZUORRHYSA-N 1 1 325.474 2.901 40 0 EFABMO Cc1nc(C)c(CCNC(=O)C[NH+]2CCC(C(F)(F)F)CC2)s1 ZINC000096495804 473450676 /nfs/dbraw/zinc/45/06/76/473450676.db2.gz LXMLSHJMZPEOEE-UHFFFAOYSA-N 1 1 349.422 2.693 40 0 EFABMO C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096500861 473452936 /nfs/dbraw/zinc/45/29/36/473452936.db2.gz CPOZXWSTQPAXDA-LZQZEXGQSA-N 1 1 345.487 2.631 40 0 EFABMO COc1ccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)c(OC)c1 ZINC000096501826 473453839 /nfs/dbraw/zinc/45/38/39/473453839.db2.gz UREQAMQDCNNYBR-NSHDSACASA-N 1 1 326.356 2.680 40 0 EFABMO COCC1=CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000185898677 473541981 /nfs/dbraw/zinc/54/19/81/473541981.db2.gz MRQQWDUZXXFIBF-MRXNPFEDSA-N 1 1 338.810 2.863 40 0 EFABMO COCC1=CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000185898677 473541986 /nfs/dbraw/zinc/54/19/86/473541986.db2.gz MRQQWDUZXXFIBF-MRXNPFEDSA-N 1 1 338.810 2.863 40 0 EFABMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000192067572 473620174 /nfs/dbraw/zinc/62/01/74/473620174.db2.gz ZZLFYXWBAQBSSA-OALUTQOASA-N 1 1 327.428 2.561 40 0 EFABMO C[C@H]1CN(CC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000192761979 473720505 /nfs/dbraw/zinc/72/05/05/473720505.db2.gz IUPQPMYXKPLPMG-HOTGVXAUSA-N 1 1 349.544 2.922 40 0 EFABMO CCOc1cncc(N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000192790030 473725753 /nfs/dbraw/zinc/72/57/53/473725753.db2.gz BESLGWRWAAJWLP-CQSZACIVSA-N 1 1 347.488 2.599 40 0 EFABMO Cc1cc([C@H](C)NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(C)s1 ZINC000245860034 473752222 /nfs/dbraw/zinc/75/22/22/473752222.db2.gz IFHOXYBHQNZMTC-OBJOEFQTSA-N 1 1 339.505 2.522 40 0 EFABMO COC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000194627713 473928918 /nfs/dbraw/zinc/92/89/18/473928918.db2.gz NAKSYSRMAGIPPI-HZPDHXFCSA-N 1 1 337.851 2.517 40 0 EFABMO c1c[nH]c([C@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048975 473997608 /nfs/dbraw/zinc/99/76/08/473997608.db2.gz WTTFEDYHWBMBPK-QZTJIDSGSA-N 1 1 325.460 2.748 40 0 EFABMO CC(C)n1ccnc1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195274303 474045350 /nfs/dbraw/zinc/04/53/50/474045350.db2.gz YIVZZEJXWDTJSK-GOSISDBHSA-N 1 1 327.476 2.813 40 0 EFABMO Cc1cc[nH+]c(N(C)CCCOc2cccc(S(C)(=O)=O)c2)c1 ZINC000195539173 474091083 /nfs/dbraw/zinc/09/10/83/474091083.db2.gz WNTGBZORQFEPBE-UHFFFAOYSA-N 1 1 334.441 2.699 40 0 EFABMO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000195547726 474092849 /nfs/dbraw/zinc/09/28/49/474092849.db2.gz LWYWUJSGURQPAP-SMDDNHRTSA-N 1 1 342.233 2.632 40 0 EFABMO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000195547726 474092845 /nfs/dbraw/zinc/09/28/45/474092845.db2.gz LWYWUJSGURQPAP-SMDDNHRTSA-N 1 1 342.233 2.632 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 ZINC000195551660 474094994 /nfs/dbraw/zinc/09/49/94/474094994.db2.gz DTYQXVLCKIQUCK-JXFKEZNVSA-N 1 1 325.456 2.939 40 0 EFABMO C[C@H](C(=O)Nc1ccc(NC(=O)C2CC2)nc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000195565296 474097259 /nfs/dbraw/zinc/09/72/59/474097259.db2.gz LARVPSPTOGIXDO-FRRDWIJNSA-N 1 1 330.432 2.630 40 0 EFABMO CCOC[C@]1([NH3+])[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052544 474143777 /nfs/dbraw/zinc/14/37/77/474143777.db2.gz YSNHSYXJKRXCSS-FHWLQOOXSA-N 1 1 345.464 2.669 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC000222281493 474168187 /nfs/dbraw/zinc/16/81/87/474168187.db2.gz SRNFSSVBVMOZMS-UHFFFAOYSA-N 1 1 340.427 2.631 40 0 EFABMO Cc1cc(NCC[NH3+])c2cc(I)ccc2n1 ZINC000222687897 474172549 /nfs/dbraw/zinc/17/25/49/474172549.db2.gz SEFGZGZJFLPZTH-UHFFFAOYSA-N 1 1 327.169 2.518 40 0 EFABMO CCOc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1COC(C)C ZINC000224721003 474199818 /nfs/dbraw/zinc/19/98/18/474199818.db2.gz RVXVSWGBVGXZGK-UHFFFAOYSA-N 1 1 334.460 2.788 40 0 EFABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)OCCO2 ZINC000225402085 474208797 /nfs/dbraw/zinc/20/87/97/474208797.db2.gz VRKAJWSNYWBTPW-INIZCTEOSA-N 1 1 332.444 2.842 40 0 EFABMO CCOC[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000225457551 474213347 /nfs/dbraw/zinc/21/33/47/474213347.db2.gz PLGWSVIIVIIJBP-HUUCEWRRSA-N 1 1 325.474 2.900 40 0 EFABMO CCOC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000225457551 474213359 /nfs/dbraw/zinc/21/33/59/474213359.db2.gz PLGWSVIIVIIJBP-HUUCEWRRSA-N 1 1 325.474 2.900 40 0 EFABMO c1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)nc1 ZINC000247849817 474215825 /nfs/dbraw/zinc/21/58/25/474215825.db2.gz OIAXVSWXHZEWGM-KRWDZBQOSA-N 1 1 334.485 2.585 40 0 EFABMO c1c[nH]c(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000247840123 474215988 /nfs/dbraw/zinc/21/59/88/474215988.db2.gz KOZPOQQUUSWWFA-JLJPHGGASA-N 1 1 333.457 2.667 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000247840123 474215994 /nfs/dbraw/zinc/21/59/94/474215994.db2.gz KOZPOQQUUSWWFA-JLJPHGGASA-N 1 1 333.457 2.667 40 0 EFABMO CC(C)Cn1ncnc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000182609406 474217118 /nfs/dbraw/zinc/21/71/18/474217118.db2.gz HSSRUMARQPZLSF-UHFFFAOYSA-N 1 1 345.466 2.781 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccoc2)n1 ZINC000247885538 474222048 /nfs/dbraw/zinc/22/20/48/474222048.db2.gz RNJSETOEHWTZSP-ZMSDIMECSA-N 1 1 334.441 2.932 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccoc2)n1 ZINC000247885538 474222057 /nfs/dbraw/zinc/22/20/57/474222057.db2.gz RNJSETOEHWTZSP-ZMSDIMECSA-N 1 1 334.441 2.932 40 0 EFABMO O=C(C[C@@H]1C[N@H+](CC2CCC2)Cc2ccnn21)NCc1cccs1 ZINC000247889959 474222623 /nfs/dbraw/zinc/22/26/23/474222623.db2.gz YHIOHHZYGIDMBS-MRXNPFEDSA-N 1 1 344.484 2.808 40 0 EFABMO O=C(C[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21)NCc1cccs1 ZINC000247889959 474222630 /nfs/dbraw/zinc/22/26/30/474222630.db2.gz YHIOHHZYGIDMBS-MRXNPFEDSA-N 1 1 344.484 2.808 40 0 EFABMO O=C(NCCn1cc[nH+]c1C1CC1)c1ccccc1Br ZINC000225565969 474225215 /nfs/dbraw/zinc/22/52/15/474225215.db2.gz JJMBVYZYZHMCJI-UHFFFAOYSA-N 1 1 334.217 2.953 40 0 EFABMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2nc(C)cnc2C)C1 ZINC000225603481 474228860 /nfs/dbraw/zinc/22/88/60/474228860.db2.gz SRISPMLQGMOWBZ-OAHLLOKOSA-N 1 1 331.489 2.817 40 0 EFABMO C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248027592 474247818 /nfs/dbraw/zinc/24/78/18/474247818.db2.gz NDUUCVHGSTZLEH-YOEHRIQHSA-N 1 1 346.862 2.688 40 0 EFABMO C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248027592 474247822 /nfs/dbraw/zinc/24/78/22/474247822.db2.gz NDUUCVHGSTZLEH-YOEHRIQHSA-N 1 1 346.862 2.688 40 0 EFABMO Cc1nc(CN2CCO[C@H]3CC[N@@H+](Cc4ccco4)CC[C@H]32)cs1 ZINC000248047997 474251784 /nfs/dbraw/zinc/25/17/84/474251784.db2.gz RFZHUHIOIKVRKC-MSOLQXFVSA-N 1 1 347.484 2.910 40 0 EFABMO C[N@@H+](C[C@@H]1CO[C@]2(C1)CCCN(Cc1ccncc1F)C2)C1CC1 ZINC000248074190 474256151 /nfs/dbraw/zinc/25/61/51/474256151.db2.gz TVWAYTZYFNSRCF-BEFAXECRSA-N 1 1 333.451 2.686 40 0 EFABMO C[N@@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1ccccc1F)C2 ZINC000248084244 474257993 /nfs/dbraw/zinc/25/79/93/474257993.db2.gz AYRCHYBUDKHXJF-MRXNPFEDSA-N 1 1 346.446 2.789 40 0 EFABMO C[N@H+]1CC[C@@H](COCC2CC2)CC12CN(C(=O)c1ccccc1F)C2 ZINC000248084244 474258003 /nfs/dbraw/zinc/25/80/03/474258003.db2.gz AYRCHYBUDKHXJF-MRXNPFEDSA-N 1 1 346.446 2.789 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117081 474260484 /nfs/dbraw/zinc/26/04/84/474260484.db2.gz SQXOYEIHHGXUSK-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117081 474260493 /nfs/dbraw/zinc/26/04/93/474260493.db2.gz SQXOYEIHHGXUSK-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117081 474260503 /nfs/dbraw/zinc/26/05/03/474260503.db2.gz SQXOYEIHHGXUSK-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO CN(Cc1ccccn1)[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000248140263 474268555 /nfs/dbraw/zinc/26/85/55/474268555.db2.gz SZDRMCRURFKQDV-MJGOQNOKSA-N 1 1 327.428 2.540 40 0 EFABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)CC1CC1 ZINC000248169645 474275306 /nfs/dbraw/zinc/27/53/06/474275306.db2.gz UWSMHYHRNYLDJA-LJQANCHMSA-N 1 1 342.483 2.892 40 0 EFABMO Cc1ccccc1C[NH+]1CC2(C1)C[C@@H](Oc1ncccn1)CCO2 ZINC000248169726 474276388 /nfs/dbraw/zinc/27/63/88/474276388.db2.gz VEEDRIIWUURVAF-KRWDZBQOSA-N 1 1 325.412 2.597 40 0 EFABMO COCC[N@@H+]1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C ZINC000182947481 474294378 /nfs/dbraw/zinc/29/43/78/474294378.db2.gz FHNYVMOSYBYQQK-JTQLQIEISA-N 1 1 347.793 2.803 40 0 EFABMO COCC[N@H+]1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C ZINC000182947481 474294384 /nfs/dbraw/zinc/29/43/84/474294384.db2.gz FHNYVMOSYBYQQK-JTQLQIEISA-N 1 1 347.793 2.803 40 0 EFABMO CC[C@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1ccc2c(c1)OCCO2 ZINC000189127033 474299126 /nfs/dbraw/zinc/29/91/26/474299126.db2.gz PIMAZUHSZGMQRS-RISCZKNCSA-N 1 1 329.404 2.581 40 0 EFABMO COc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221907 474343683 /nfs/dbraw/zinc/34/36/83/474343683.db2.gz SVGWSHQWTWDSEB-VQIMIIECSA-N 1 1 340.471 2.970 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000248859743 474460756 /nfs/dbraw/zinc/46/07/56/474460756.db2.gz PQIPRVZOMOXOTK-HNAYVOBHSA-N 1 1 348.450 2.742 40 0 EFABMO FC(F)C(F)(F)COCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000189988897 474527993 /nfs/dbraw/zinc/52/79/93/474527993.db2.gz JYDVRNSQCVHQGX-UHFFFAOYSA-N 1 1 331.375 2.501 40 0 EFABMO C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000239672794 474547897 /nfs/dbraw/zinc/54/78/97/474547897.db2.gz BVJIRSPEUWAQDL-HNNXBMFYSA-N 1 1 345.410 2.699 40 0 EFABMO CCn1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1=O ZINC000240454721 474549435 /nfs/dbraw/zinc/54/94/35/474549435.db2.gz FYHIKDKGUPDYFX-RDJZCZTQSA-N 1 1 326.444 2.728 40 0 EFABMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000245358611 474575056 /nfs/dbraw/zinc/57/50/56/474575056.db2.gz ZTLMMPOBYKKATA-ROUUACIJSA-N 1 1 343.471 2.941 40 0 EFABMO CN(C)c1noc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000249580471 474595501 /nfs/dbraw/zinc/59/55/01/474595501.db2.gz NGHKPQHCDRSJRN-ZIAGYGMSSA-N 1 1 334.420 2.597 40 0 EFABMO CN(C)c1noc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000249580471 474595506 /nfs/dbraw/zinc/59/55/06/474595506.db2.gz NGHKPQHCDRSJRN-ZIAGYGMSSA-N 1 1 334.420 2.597 40 0 EFABMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]cnc3c2)[C@H]1c1ccc(F)cc1 ZINC000252487185 474672963 /nfs/dbraw/zinc/67/29/63/474672963.db2.gz UGDVOGUYAWZWHI-SJLPKXTDSA-N 1 1 338.386 2.877 40 0 EFABMO C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]cnc3c2)[C@H]1c1ccc(F)cc1 ZINC000252487185 474672971 /nfs/dbraw/zinc/67/29/71/474672971.db2.gz UGDVOGUYAWZWHI-SJLPKXTDSA-N 1 1 338.386 2.877 40 0 EFABMO CC(C)(C)SCC[N@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000252494410 474679474 /nfs/dbraw/zinc/67/94/74/474679474.db2.gz NURZPVCCPZOSCY-LLVKDONJSA-N 1 1 326.428 2.909 40 0 EFABMO C[C@H]1C[C@@H](CNC(=O)NCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000252509606 474686752 /nfs/dbraw/zinc/68/67/52/474686752.db2.gz YRHIYRIADNKISI-WMZOPIPTSA-N 1 1 345.487 2.501 40 0 EFABMO C[C@@H]1C[C@@H](CNC(=O)NCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000252509603 474687786 /nfs/dbraw/zinc/68/77/86/474687786.db2.gz YRHIYRIADNKISI-AEFFLSMTSA-N 1 1 345.487 2.501 40 0 EFABMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000252539127 474695798 /nfs/dbraw/zinc/69/57/98/474695798.db2.gz NSYMQKMCAVPJLY-FQBWVUSXSA-N 1 1 338.536 2.917 40 0 EFABMO c1nc2n(n1)CCC[C@H]2N[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000252584997 474698424 /nfs/dbraw/zinc/69/84/24/474698424.db2.gz FLESUZALCHSUTR-CADBVGFASA-N 1 1 337.471 2.613 40 0 EFABMO C[N@@H+](CCC1OCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252586871 474699168 /nfs/dbraw/zinc/69/91/68/474699168.db2.gz UDUITLRQYCVITD-UKRRQHHQSA-N 1 1 332.227 2.646 40 0 EFABMO CCc1nnc(CN[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)o1 ZINC000253392946 474733605 /nfs/dbraw/zinc/73/36/05/474733605.db2.gz LCKWJGOOISXZQZ-APWZRJJASA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(CN[C@@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)o1 ZINC000253392946 474733612 /nfs/dbraw/zinc/73/36/12/474733612.db2.gz LCKWJGOOISXZQZ-APWZRJJASA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(C[NH2+][C@@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)o1 ZINC000253392946 474733617 /nfs/dbraw/zinc/73/36/17/474733617.db2.gz LCKWJGOOISXZQZ-APWZRJJASA-N 1 1 342.443 2.708 40 0 EFABMO C[C@@](O)(C[NH+]1CCC(O)(c2ccccc2Cl)CC1)C(F)(F)F ZINC000253396474 474735744 /nfs/dbraw/zinc/73/57/44/474735744.db2.gz HLBQLWDUACKPBW-CYBMUJFWSA-N 1 1 337.769 2.937 40 0 EFABMO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000253397375 474737311 /nfs/dbraw/zinc/73/73/11/474737311.db2.gz WTLMDSPZLGGBMP-WMLDXEAASA-N 1 1 331.460 2.901 40 0 EFABMO CCCC[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000253397375 474737320 /nfs/dbraw/zinc/73/73/20/474737320.db2.gz WTLMDSPZLGGBMP-WMLDXEAASA-N 1 1 331.460 2.901 40 0 EFABMO Brc1cnn(C2CC[NH+](Cc3nccs3)CC2)c1 ZINC000253417311 474742947 /nfs/dbraw/zinc/74/29/47/474742947.db2.gz GKQUXBPGDRNBCJ-UHFFFAOYSA-N 1 1 327.251 2.939 40 0 EFABMO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000253417427 474744307 /nfs/dbraw/zinc/74/43/07/474744307.db2.gz KCPOPRIAZRSKDK-GOEBONIOSA-N 1 1 325.474 2.903 40 0 EFABMO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000253417427 474744310 /nfs/dbraw/zinc/74/43/10/474744310.db2.gz KCPOPRIAZRSKDK-GOEBONIOSA-N 1 1 325.474 2.903 40 0 EFABMO CSc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000253418389 474745177 /nfs/dbraw/zinc/74/51/77/474745177.db2.gz QEJUYKWQNZETNN-ZIAGYGMSSA-N 1 1 337.489 2.636 40 0 EFABMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccccn1)CC2 ZINC000253418746 474745897 /nfs/dbraw/zinc/74/58/97/474745897.db2.gz MQWMPZLDTXBITF-UHFFFAOYSA-N 1 1 328.412 2.708 40 0 EFABMO C[N@H+]1CCCN(C(=O)N[C@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000253419240 474747491 /nfs/dbraw/zinc/74/74/91/474747491.db2.gz KXZXPGCOJUPTGT-OAHLLOKOSA-N 1 1 343.393 2.897 40 0 EFABMO c1cc2n(n1)C[C@H](CC[NH+]1CCCCC1)CN(CC1CCOCC1)C2 ZINC000253477375 474761384 /nfs/dbraw/zinc/76/13/84/474761384.db2.gz FKJGJVJHNLEPLC-LJQANCHMSA-N 1 1 346.519 2.618 40 0 EFABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)on1 ZINC000253600305 474770762 /nfs/dbraw/zinc/77/07/62/474770762.db2.gz NFIQCQLVOZRRFG-CHWSQXEVSA-N 1 1 334.445 2.717 40 0 EFABMO COC[C@H]1CC[N@@H+](CC2CC2)C2(CN(Cc3scnc3C)C2)C1 ZINC000306126092 474807602 /nfs/dbraw/zinc/80/76/02/474807602.db2.gz DMLJBSBXGPOWTE-INIZCTEOSA-N 1 1 335.517 2.774 40 0 EFABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@H+](C)CCN4C)cn32)cc1 ZINC000306124472 474807770 /nfs/dbraw/zinc/80/77/70/474807770.db2.gz BQRMVCGIYINCJW-IBGZPJMESA-N 1 1 336.439 2.928 40 0 EFABMO COc1ccc(-c2cccc3nc([C@@H]4C[N@@H+](C)CCN4C)cn32)cc1 ZINC000306124472 474807773 /nfs/dbraw/zinc/80/77/73/474807773.db2.gz BQRMVCGIYINCJW-IBGZPJMESA-N 1 1 336.439 2.928 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3c[nH]c4ccccc43)C2)C1 ZINC000306125502 474807794 /nfs/dbraw/zinc/80/77/94/474807794.db2.gz CSPNPCJDGLHZPI-OAHLLOKOSA-N 1 1 341.455 2.741 40 0 EFABMO c1csc(C[N@H+]2CCO[C@]3(C2)CCCN(c2ncccn2)CC3)c1 ZINC000306137614 474811428 /nfs/dbraw/zinc/81/14/28/474811428.db2.gz RBJSEYRIPDGROO-GOSISDBHSA-N 1 1 344.484 2.800 40 0 EFABMO COc1ccc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccoc4)C[C@H]32)cn1 ZINC000306145107 474811575 /nfs/dbraw/zinc/81/15/75/474811575.db2.gz ZYKVLLFXIFBKNJ-HOTGVXAUSA-N 1 1 336.395 2.776 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccs3)C[C@H]2N1CC1CC1 ZINC000306140033 474811616 /nfs/dbraw/zinc/81/16/16/474811616.db2.gz UHVYQMBEKMMEIJ-DLBZAZTESA-N 1 1 327.453 2.841 40 0 EFABMO c1cc2n(n1)C[C@@H](CCNc1ncccn1)C[N@H+](CC1CCCC1)C2 ZINC000306142907 474812510 /nfs/dbraw/zinc/81/25/10/474812510.db2.gz XNYILMWYHCJOCL-KRWDZBQOSA-N 1 1 340.475 2.797 40 0 EFABMO O=c1[nH]c([C@H]2CCCC[NH2+]2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000257246800 474928154 /nfs/dbraw/zinc/92/81/54/474928154.db2.gz IVWJDOYNHOEVKX-QGZVFWFLSA-N 1 1 330.476 2.935 40 0 EFABMO O=c1[n-]c([C@H]2CCCC[NH2+]2)nc2c1C[N@H+](CC1CCCCC1)CC2 ZINC000257246800 474928156 /nfs/dbraw/zinc/92/81/56/474928156.db2.gz IVWJDOYNHOEVKX-QGZVFWFLSA-N 1 1 330.476 2.935 40 0 EFABMO Cn1ccnc1C[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257278926 474928181 /nfs/dbraw/zinc/92/81/81/474928181.db2.gz OEFNLFOUXVERQV-UHFFFAOYSA-N 1 1 349.442 2.728 40 0 EFABMO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257281244 474929805 /nfs/dbraw/zinc/92/98/05/474929805.db2.gz OOHKNLROSMRDBT-CYBMUJFWSA-N 1 1 340.456 2.778 40 0 EFABMO Cn1ccnc1-c1nccnc1[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC000257287271 474931879 /nfs/dbraw/zinc/93/18/79/474931879.db2.gz PPFRABARHQXPSP-CYBMUJFWSA-N 1 1 326.429 2.671 40 0 EFABMO Cn1ccnc1-c1nccnc1[C@H]1CCC[N@H+]1Cc1cncs1 ZINC000257287271 474931885 /nfs/dbraw/zinc/93/18/85/474931885.db2.gz PPFRABARHQXPSP-CYBMUJFWSA-N 1 1 326.429 2.671 40 0 EFABMO CNc1cncc([C@H]2CCC[N@@H+]2Cc2c(OC)cccc2OC)n1 ZINC000257292376 474937205 /nfs/dbraw/zinc/93/72/05/474937205.db2.gz QLEXCJVDMYOICR-OAHLLOKOSA-N 1 1 328.416 2.873 40 0 EFABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2c(OC)cccc2OC)n1 ZINC000257292376 474937214 /nfs/dbraw/zinc/93/72/14/474937214.db2.gz QLEXCJVDMYOICR-OAHLLOKOSA-N 1 1 328.416 2.873 40 0 EFABMO Cc1nc(-c2cncnc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)no1 ZINC000257298095 474937675 /nfs/dbraw/zinc/93/76/75/474937675.db2.gz RKCPNFQYERUDRM-CQSZACIVSA-N 1 1 336.399 2.610 40 0 EFABMO CNC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000257296747 474938299 /nfs/dbraw/zinc/93/82/99/474938299.db2.gz REFUIYDXRQLQNZ-KRWDZBQOSA-N 1 1 349.438 2.816 40 0 EFABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)COc1cccc(F)c1)C2 ZINC000257298637 474941355 /nfs/dbraw/zinc/94/13/55/474941355.db2.gz RMQWNAGDEOCACD-RMRDIRSESA-N 1 1 332.419 2.678 40 0 EFABMO Cc1noc(C)c1-c1cccc([C@@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257302292 474942349 /nfs/dbraw/zinc/94/23/49/474942349.db2.gz SCIXYDLIRGOJEJ-SFHVURJKSA-N 1 1 343.427 2.906 40 0 EFABMO Cn1cncc1C[N@H+]1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257311115 474946704 /nfs/dbraw/zinc/94/67/04/474946704.db2.gz UHZQXDUSNLIXLJ-QGZVFWFLSA-N 1 1 336.439 2.659 40 0 EFABMO CCOc1ccc(C[N@H+]2CC[C@H](c3nc(C)cn3C)C2)cc1CO ZINC000257315668 474950316 /nfs/dbraw/zinc/95/03/16/474950316.db2.gz VCIOAGBTXLXHJT-INIZCTEOSA-N 1 1 329.444 2.609 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](Cc2cccc(C)n2)C1 ZINC000257321785 474953518 /nfs/dbraw/zinc/95/35/18/474953518.db2.gz WDFSBMWVTFTAMA-INIZCTEOSA-N 1 1 326.444 2.630 40 0 EFABMO CNc1ncccc1C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257334386 474958979 /nfs/dbraw/zinc/95/89/79/474958979.db2.gz YFRDVBFLGCGSHA-HKUYNNGSSA-N 1 1 327.428 2.528 40 0 EFABMO c1nn2cccnc2c1C[NH+]1CC2(C1)CO[C@@H](Cc1ccccc1)C2 ZINC000257336374 474961803 /nfs/dbraw/zinc/96/18/03/474961803.db2.gz YODONTAIOLMLOX-SFHVURJKSA-N 1 1 334.423 2.563 40 0 EFABMO CCn1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)n3cc[nH]c3n2)c(C)n1 ZINC000257336502 474962127 /nfs/dbraw/zinc/96/21/27/474962127.db2.gz YOTFYIAHEIRNSB-INIZCTEOSA-N 1 1 340.431 2.687 40 0 EFABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)n3cc[nH]c3n2)c(C)n1 ZINC000257336502 474962133 /nfs/dbraw/zinc/96/21/33/474962133.db2.gz YOTFYIAHEIRNSB-INIZCTEOSA-N 1 1 340.431 2.687 40 0 EFABMO Cn1cc(CN2CC[N@@H+](C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343297 474965845 /nfs/dbraw/zinc/96/58/45/474965845.db2.gz ZSHSQAYDLQLHFS-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@@H+]2CCN(C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343297 474965848 /nfs/dbraw/zinc/96/58/48/474965848.db2.gz ZSHSQAYDLQLHFS-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@H+]2CCN(C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343297 474965855 /nfs/dbraw/zinc/96/58/55/474965855.db2.gz ZSHSQAYDLQLHFS-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO C[C@@H]1C[C@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000390835086 476806295 /nfs/dbraw/zinc/80/62/95/476806295.db2.gz CGRYFZYUAWPFHG-ZWNOBZJWSA-N 1 1 343.240 2.730 40 0 EFABMO CC1([NH+]2CCOCC2)CCN(c2ncc(C(F)(F)F)s2)CC1 ZINC000528189687 478675600 /nfs/dbraw/zinc/67/56/00/478675600.db2.gz NEMVOUVCELEYMN-UHFFFAOYSA-N 1 1 335.395 2.853 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@H+](C2CCCC2)[C@H]3C)cn1 ZINC000585096704 479279462 /nfs/dbraw/zinc/27/94/62/479279462.db2.gz ATVHGCWJNWZSBA-AWEZNQCLSA-N 1 1 327.432 2.880 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@@H+](C2CCCC2)[C@H]3C)cn1 ZINC000585096704 479279468 /nfs/dbraw/zinc/27/94/68/479279468.db2.gz ATVHGCWJNWZSBA-AWEZNQCLSA-N 1 1 327.432 2.880 40 0 EFABMO Cn1cnc2c1C[C@H](COCc1ccccn1)[N@@H+](C1CCCC1)C2 ZINC000585094730 479279960 /nfs/dbraw/zinc/27/99/60/479279960.db2.gz JONHBBOUFCPHMB-QGZVFWFLSA-N 1 1 326.444 2.701 40 0 EFABMO Cn1cnc2c1C[C@H](COCc1ccccn1)[N@H+](C1CCCC1)C2 ZINC000585094730 479279965 /nfs/dbraw/zinc/27/99/65/479279965.db2.gz JONHBBOUFCPHMB-QGZVFWFLSA-N 1 1 326.444 2.701 40 0 EFABMO C[C@@H]1c2nnc(COc3ccccn3)n2CC[N@H+]1CC1CCCC1 ZINC000585097383 479281419 /nfs/dbraw/zinc/28/14/19/479281419.db2.gz KNNJVWJWTDBGBP-CQSZACIVSA-N 1 1 327.432 2.819 40 0 EFABMO C[C@@H]1c2nnc(COc3ccccn3)n2CC[N@@H+]1CC1CCCC1 ZINC000585097383 479281425 /nfs/dbraw/zinc/28/14/25/479281425.db2.gz KNNJVWJWTDBGBP-CQSZACIVSA-N 1 1 327.432 2.819 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@H+](C2CCCC2)[C@@H]3C)cn1 ZINC000585096705 479281566 /nfs/dbraw/zinc/28/15/66/479281566.db2.gz ATVHGCWJNWZSBA-CQSZACIVSA-N 1 1 327.432 2.880 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@@H+](C2CCCC2)[C@@H]3C)cn1 ZINC000585096705 479281570 /nfs/dbraw/zinc/28/15/70/479281570.db2.gz ATVHGCWJNWZSBA-CQSZACIVSA-N 1 1 327.432 2.880 40 0 EFABMO C[C@@H]1c2nnc(COc3ncccc3F)n2CC[N@H+]1CC1CCC1 ZINC000585097636 479281674 /nfs/dbraw/zinc/28/16/74/479281674.db2.gz OLCNUIBKBWUSFP-GFCCVEGCSA-N 1 1 331.395 2.568 40 0 EFABMO C[C@@H]1c2nnc(COc3ncccc3F)n2CC[N@@H+]1CC1CCC1 ZINC000585097636 479281681 /nfs/dbraw/zinc/28/16/81/479281681.db2.gz OLCNUIBKBWUSFP-GFCCVEGCSA-N 1 1 331.395 2.568 40 0 EFABMO COCC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100285 479282593 /nfs/dbraw/zinc/28/25/93/479282593.db2.gz AKYUMNDQLQCHKT-IBGZPJMESA-N 1 1 334.435 2.819 40 0 EFABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1C1CCC1 ZINC000585098650 479282799 /nfs/dbraw/zinc/28/27/99/479282799.db2.gz ZZUNLNXFDXIUDI-LLVKDONJSA-N 1 1 333.823 2.835 40 0 EFABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1C1CCC1 ZINC000585098650 479282804 /nfs/dbraw/zinc/28/28/04/479282804.db2.gz ZZUNLNXFDXIUDI-LLVKDONJSA-N 1 1 333.823 2.835 40 0 EFABMO C[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC000585104323 479285995 /nfs/dbraw/zinc/28/59/95/479285995.db2.gz YTCMXLBXGUAKQO-GOSISDBHSA-N 1 1 332.488 2.550 40 0 EFABMO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC3)C[C@@H]21)c1ccncc1 ZINC000585109827 479287323 /nfs/dbraw/zinc/28/73/23/479287323.db2.gz YDMJVFVXOYNGAV-SLFFLAALSA-N 1 1 333.435 2.992 40 0 EFABMO Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CC[N@@H+]4CCC(C)C)cn2c1 ZINC000585108893 479287733 /nfs/dbraw/zinc/28/77/33/479287733.db2.gz CAEZOTRPUXVVRW-ROUUACIJSA-N 1 1 340.471 2.864 40 0 EFABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](C(C)C)C[C@@H]32)no1 ZINC000585109538 479288033 /nfs/dbraw/zinc/28/80/33/479288033.db2.gz AZKHIPUGPXMMMS-XYJFISCASA-N 1 1 325.412 2.892 40 0 EFABMO O=C(NCC[C@H]1C[N@@H+](CC2CCC2)Cc2ccnn21)c1ccsc1 ZINC000585111830 479289511 /nfs/dbraw/zinc/28/95/11/479289511.db2.gz CMVKRXNXMDWETB-INIZCTEOSA-N 1 1 344.484 2.922 40 0 EFABMO CO[C@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585275691 479304528 /nfs/dbraw/zinc/30/45/28/479304528.db2.gz DKLDSCFNBSBLMT-GOSISDBHSA-N 1 1 331.391 2.594 40 0 EFABMO CO[C@]1(COc2cccc(F)c2)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000585275447 479304826 /nfs/dbraw/zinc/30/48/26/479304826.db2.gz CHOQGXZWBQSDQK-GOSISDBHSA-N 1 1 331.391 2.594 40 0 EFABMO CO[C@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000585275447 479304833 /nfs/dbraw/zinc/30/48/33/479304833.db2.gz CHOQGXZWBQSDQK-GOSISDBHSA-N 1 1 331.391 2.594 40 0 EFABMO CO[C@@]1(COc2ccc(F)cc2)CCC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000585273124 479305268 /nfs/dbraw/zinc/30/52/68/479305268.db2.gz ASEYVYISYNDGPL-SFHVURJKSA-N 1 1 333.407 2.917 40 0 EFABMO CNc1ncccc1C[N@H+]1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 ZINC000585279503 479306820 /nfs/dbraw/zinc/30/68/20/479306820.db2.gz NHAALQPKOZPNBA-QAPCUYQASA-N 1 1 329.419 2.688 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@@](O)(COc3cccc(C)c3)C2)[nH]1 ZINC000585277843 479307146 /nfs/dbraw/zinc/30/71/46/479307146.db2.gz QAZZUKPHORINDD-IBGZPJMESA-N 1 1 329.444 2.605 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)[nH]1 ZINC000585278927 479307296 /nfs/dbraw/zinc/30/72/96/479307296.db2.gz IZGUOECRGIQZCR-CRAIPNDOSA-N 1 1 331.435 2.845 40 0 EFABMO O[C@@]1(COc2ccc(F)c(F)c2)COCC[N@H+](C2CCCCC2)C1 ZINC000585281122 479308009 /nfs/dbraw/zinc/30/80/09/479308009.db2.gz FFRLDMJNUJRECI-GOSISDBHSA-N 1 1 341.398 2.740 40 0 EFABMO Cc1ncoc1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1Cc1cccc(F)c1 ZINC000585280798 479308399 /nfs/dbraw/zinc/30/83/99/479308399.db2.gz PFBLCAXOCNJLRS-HOTGVXAUSA-N 1 1 331.391 2.557 40 0 EFABMO Cc1ncoc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1Cc1cccc(F)c1 ZINC000585280798 479308402 /nfs/dbraw/zinc/30/84/02/479308402.db2.gz PFBLCAXOCNJLRS-HOTGVXAUSA-N 1 1 331.391 2.557 40 0 EFABMO CC[NH+](CC)CCCN[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585288844 479309788 /nfs/dbraw/zinc/30/97/88/479309788.db2.gz KFAZYHXTGAGERC-DFQSSKMNSA-N 1 1 334.504 2.977 40 0 EFABMO CCCOc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292217 479310457 /nfs/dbraw/zinc/31/04/57/479310457.db2.gz GEKMFVUFZKVNBT-SFHLNBCPSA-N 1 1 341.451 2.797 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@H+]1Cc1ccc2ncccc2c1 ZINC000585292986 479310584 /nfs/dbraw/zinc/31/05/84/479310584.db2.gz QOVPNSQFDJCKAR-HMXCVIKNSA-N 1 1 334.419 2.556 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000585292761 479311136 /nfs/dbraw/zinc/31/11/36/479311136.db2.gz NQPXMWRSPCGCEB-MISYRCLQSA-N 1 1 340.398 2.628 40 0 EFABMO C[C@H](CO)C1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000624352555 480724686 /nfs/dbraw/zinc/72/46/86/480724686.db2.gz YOQJFZRKLLIKGU-OAHLLOKOSA-N 1 1 338.455 2.842 40 0 EFABMO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])COC)cc1 ZINC000218564313 536194896 /nfs/dbraw/zinc/19/48/96/536194896.db2.gz GPCJZZFTFGODSG-GBESFXJTSA-N 1 1 345.464 2.533 40 0 EFABMO C[N@H+]1CCC[C@H](c2cncc(C(=O)NCc3ccccc3Cl)n2)C1 ZINC000257211255 536388025 /nfs/dbraw/zinc/38/80/25/536388025.db2.gz BYDXABUNGSLVNS-AWEZNQCLSA-N 1 1 344.846 2.869 40 0 EFABMO CO[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CC[C@@]12CCCO2 ZINC000257273646 536767534 /nfs/dbraw/zinc/76/75/34/536767534.db2.gz NHOAQZZYPZOSEI-ICSRJNTNSA-N 1 1 339.439 2.914 40 0 EFABMO CCn1nncc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087351 546371534 /nfs/dbraw/zinc/37/15/34/546371534.db2.gz SIXQNRPVUQMNGQ-YSIASYRMSA-N 1 1 339.487 2.688 40 0 EFABMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000225586105 564149863 /nfs/dbraw/zinc/14/98/63/564149863.db2.gz NSYMQKMCAVPJLY-GFEQUFNTSA-N 1 1 338.536 2.917 40 0 EFABMO CCCC[N@@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)Cc2ccccc2)[C@@H]1CO ZINC001772595107 1249155219 /nfs/dbraw/zinc/15/52/19/1249155219.db2.gz YEJGGFMDVIJUCY-VAMGGRTRSA-N 1 1 346.515 2.807 40 0 EFABMO CCCC[N@@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)c2ccccc2)[C@@H]1CO ZINC001772595127 1249156678 /nfs/dbraw/zinc/15/66/78/1249156678.db2.gz ZVCGFFBNJMIWHK-BHIYHBOVSA-N 1 1 332.488 2.878 40 0 EFABMO C[N@@H+]1C[C@@H](C(=O)Nc2nccs2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595807 1249167091 /nfs/dbraw/zinc/16/70/91/1249167091.db2.gz LZRWXFDPKSHWCV-DYEKYZERSA-N 1 1 333.388 2.532 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)Nc2nccs2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595807 1249167096 /nfs/dbraw/zinc/16/70/96/1249167096.db2.gz LZRWXFDPKSHWCV-DYEKYZERSA-N 1 1 333.388 2.532 40 0 EFABMO CCc1c[nH]c2nc[nH+]c(N3CC4(CC(=O)N4Cc4ccccc4)C3)c12 ZINC000895006125 723047088 /nfs/dbraw/zinc/04/70/88/723047088.db2.gz MCAGLNSTEJKJLR-UHFFFAOYSA-N 1 1 347.422 2.512 40 0 EFABMO Cn1cc([C@@H]2OCC[C@H]2[NH2+]Cc2csc(C(F)(F)F)n2)cn1 ZINC000895013957 723050156 /nfs/dbraw/zinc/05/01/56/723050156.db2.gz OUNNTFOFONVAFQ-MNOVXSKESA-N 1 1 332.351 2.515 40 0 EFABMO COc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000028577241 1099454158 /nfs/dbraw/zinc/45/41/58/1099454158.db2.gz GBDCRSHMFHBKTK-UHFFFAOYSA-N 1 1 343.408 2.990 40 0 EFABMO c1cnn(CCCO[C@H]2C[N@@H+](Cc3cccs3)[C@@H]3CCCO[C@@H]32)c1 ZINC000097953594 219064757 /nfs/dbraw/zinc/06/47/57/219064757.db2.gz QYPZQDQUWPAWIM-SQNIBIBYSA-N 1 1 347.484 2.783 40 0 EFABMO Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4c(c3)OCO4)O2)o1 ZINC000097953581 219065036 /nfs/dbraw/zinc/06/50/36/219065036.db2.gz HXEGTICJPXRZFY-FMKPAKJESA-N 1 1 343.383 2.601 40 0 EFABMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C[C@@H](C)O1 ZINC000004429624 210192524 /nfs/dbraw/zinc/19/25/24/210192524.db2.gz VMXCZTWKHLYJMM-ZHALLVOQSA-N 1 1 330.472 2.577 40 0 EFABMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000004400291 210187822 /nfs/dbraw/zinc/18/78/22/210187822.db2.gz VOAAJCDJYIZNDF-MAUKXSAKSA-N 1 1 348.462 2.804 40 0 EFABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cncc(F)c1 ZINC000132472278 529970850 /nfs/dbraw/zinc/97/08/50/529970850.db2.gz FYDBFKMIIFDANU-MRXNPFEDSA-N 1 1 327.403 2.815 40 0 EFABMO Cc1nc(C(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cs1 ZINC000066732437 215073835 /nfs/dbraw/zinc/07/38/35/215073835.db2.gz LWMMPMBNDKPCDV-CYBMUJFWSA-N 1 1 332.429 2.684 40 0 EFABMO Cc1noc(C)c1C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000066732977 215074460 /nfs/dbraw/zinc/07/44/60/215074460.db2.gz DAECZVHSIUTTNG-AWEZNQCLSA-N 1 1 330.388 2.524 40 0 EFABMO C[C@H]1Cc2ccccc2N1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000068818713 215337646 /nfs/dbraw/zinc/33/76/46/215337646.db2.gz NYOODTVEUSYVSL-SFHVURJKSA-N 1 1 349.478 2.782 40 0 EFABMO CCNc1cc(NCCNC(=O)c2c[nH]c3ccccc32)[nH+]c(C)n1 ZINC000038670680 213218657 /nfs/dbraw/zinc/21/86/57/213218657.db2.gz KODQKOOMYHMWCM-UHFFFAOYSA-N 1 1 338.415 2.540 40 0 EFABMO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)CC2 ZINC000183546108 235134040 /nfs/dbraw/zinc/13/40/40/235134040.db2.gz HSDXDUXHIHCHGH-APWZRJJASA-N 1 1 337.402 2.815 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000036741277 213116342 /nfs/dbraw/zinc/11/63/42/213116342.db2.gz DWRRNDHXFIIYEN-ICSRJNTNSA-N 1 1 327.424 2.712 40 0 EFABMO O=C([C@H]1CCC[N@H+](C[C@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000036734365 213115219 /nfs/dbraw/zinc/11/52/19/213115219.db2.gz JNIBHYAJTCUVJN-HOTGVXAUSA-N 1 1 336.501 2.896 40 0 EFABMO C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1c(F)cccc1Cl ZINC000187267151 236163622 /nfs/dbraw/zinc/16/36/22/236163622.db2.gz IFUKSZMVNKRJKS-LBPRGKRZSA-N 1 1 343.830 2.562 40 0 EFABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2CC2CC2)n1 ZINC000035425031 213027258 /nfs/dbraw/zinc/02/72/58/213027258.db2.gz UWDRKRFSULGYRT-HNNXBMFYSA-N 1 1 344.415 2.704 40 0 biogenic,in-vitro EFABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000035425021 213027116 /nfs/dbraw/zinc/02/71/16/213027116.db2.gz MEYUKPWJHGXXSG-AWEZNQCLSA-N 1 1 332.404 2.702 40 0 biogenic,in-vitro EFABMO C[C@@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000035388652 213024685 /nfs/dbraw/zinc/02/46/85/213024685.db2.gz MZYWZPIRYJOWGQ-ZBFHGGJFSA-N 1 1 340.464 2.711 40 0 EFABMO CC(C)[C@H](c1nnnn1C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035310852 213020123 /nfs/dbraw/zinc/02/01/23/213020123.db2.gz ZSLVPIUHASNEHA-GOSISDBHSA-N 1 1 342.491 2.769 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000035075010 213007422 /nfs/dbraw/zinc/00/74/22/213007422.db2.gz UUJWJBPJLSKMCI-SJORKVTESA-N 1 1 349.471 2.825 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000072361796 216166789 /nfs/dbraw/zinc/16/67/89/216166789.db2.gz YLFDLZVFZFXKBM-OAHLLOKOSA-N 1 1 327.432 2.749 40 0 EFABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072353678 216162705 /nfs/dbraw/zinc/16/27/05/216162705.db2.gz DWWWKJKISCLECO-INIZCTEOSA-N 1 1 348.454 2.960 40 0 EFABMO Cc1cc(CCC(=O)Nc2nncs2)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000072360562 216167689 /nfs/dbraw/zinc/16/76/89/216167689.db2.gz LAJRBETZWGHTIK-CQSZACIVSA-N 1 1 331.445 2.580 40 0 EFABMO Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2C)n1 ZINC000072355510 216164480 /nfs/dbraw/zinc/16/44/80/216164480.db2.gz HNERAXXHPDBCMU-GOSISDBHSA-N 1 1 336.443 2.955 40 0 EFABMO c1ccc(Nc2nccnc2[C@@H]2CCC[N@H+]2C2CCOCC2)nc1 ZINC000072363638 216170368 /nfs/dbraw/zinc/17/03/68/216170368.db2.gz FRMYPSHFDLBDSV-HNNXBMFYSA-N 1 1 325.416 2.931 40 0 EFABMO NC(=O)CCc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072360446 216167963 /nfs/dbraw/zinc/16/79/63/216167963.db2.gz HDIWLCICVZEBJR-SFHVURJKSA-N 1 1 327.403 2.976 40 0 EFABMO Cc1nccc(C2(C)CCN(C(=O)[C@]3(C)CCCC[N@@H+]3C)CC2)n1 ZINC000072367338 216174958 /nfs/dbraw/zinc/17/49/58/216174958.db2.gz BFSHSFWPKRWPTD-IBGZPJMESA-N 1 1 330.476 2.540 40 0 EFABMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072383952 216185210 /nfs/dbraw/zinc/18/52/10/216185210.db2.gz ZREGKQFXUSXESI-OAHLLOKOSA-N 1 1 340.427 2.537 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072383952 216185211 /nfs/dbraw/zinc/18/52/11/216185211.db2.gz ZREGKQFXUSXESI-OAHLLOKOSA-N 1 1 340.427 2.537 40 0 EFABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389994 216189506 /nfs/dbraw/zinc/18/95/06/216189506.db2.gz CPMQRLNKUJFRME-OAHLLOKOSA-N 1 1 338.415 2.553 40 0 EFABMO Cn1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2nccnc21 ZINC000072393837 216192013 /nfs/dbraw/zinc/19/20/13/216192013.db2.gz VOTVNDFRZFIFDE-AWEZNQCLSA-N 1 1 325.391 2.882 40 0 EFABMO COC(=O)C[N@H+](Cc1cc(F)cc2cccnc21)C1CCOCC1 ZINC000072876246 216324059 /nfs/dbraw/zinc/32/40/59/216324059.db2.gz CUQYHUXMJCUIDB-UHFFFAOYSA-N 1 1 332.375 2.528 40 0 EFABMO COC(=O)C[N@@H+](Cc1cc(F)cc2cccnc21)C1CCOCC1 ZINC000072876246 216324062 /nfs/dbraw/zinc/32/40/62/216324062.db2.gz CUQYHUXMJCUIDB-UHFFFAOYSA-N 1 1 332.375 2.528 40 0 EFABMO Cc1ccc(F)cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000073306233 216375034 /nfs/dbraw/zinc/37/50/34/216375034.db2.gz GRMPZOGXVQJMIJ-UHFFFAOYSA-N 1 1 329.375 2.887 40 0 EFABMO CCC(CC)[C@@H](CNC(=O)c1ccc(Cl)o1)[NH+]1CCOCC1 ZINC000022899321 212333536 /nfs/dbraw/zinc/33/35/36/212333536.db2.gz QQPVRQGOLIHOEU-CYBMUJFWSA-N 1 1 328.840 2.800 40 0 EFABMO Cc1noc(C)c1CC(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257261932 240312219 /nfs/dbraw/zinc/31/22/19/240312219.db2.gz LJIZQMJUVNBDSZ-MRXNPFEDSA-N 1 1 342.443 2.665 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2c2nc(C)cc(C)n2)n1 ZINC000257338874 240313529 /nfs/dbraw/zinc/31/35/29/240313529.db2.gz YZGGNLQUPILWOX-INIZCTEOSA-N 1 1 335.415 2.719 40 0 EFABMO CC(C)(CNc1ncnc2c3ccccc3oc21)[NH+]1CCOCC1 ZINC000022226910 212282738 /nfs/dbraw/zinc/28/27/38/212282738.db2.gz SJXXCNDYPBXBDT-UHFFFAOYSA-N 1 1 326.400 2.899 40 0 EFABMO COC[C@@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480843 241327086 /nfs/dbraw/zinc/32/70/86/241327086.db2.gz KGAPFJODYSNZGE-CEXWTWQISA-N 1 1 345.464 2.587 40 0 EFABMO CCOC[C@@]1([NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052349 241292966 /nfs/dbraw/zinc/29/29/66/241292966.db2.gz YSNHSYXJKRXCSS-CEXWTWQISA-N 1 1 345.464 2.669 40 0 EFABMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000230104504 242231046 /nfs/dbraw/zinc/23/10/46/242231046.db2.gz LNUPTHQNWBYSRS-DLBZAZTESA-N 1 1 338.407 2.742 40 0 EFABMO CN1Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cc2C1=O ZINC000230104109 242231570 /nfs/dbraw/zinc/23/15/70/242231570.db2.gz LQCSGYIDAUROJJ-RBUKOAKNSA-N 1 1 349.434 2.556 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CC[N@H+](C3CCC3)C[C@@H]21 ZINC000096043493 284011359 /nfs/dbraw/zinc/01/13/59/284011359.db2.gz MNTNWQFPULQGSD-BRWVUGGUSA-N 1 1 334.485 2.644 40 0 EFABMO CN(C(=O)C[N@@H+]1CCC[C@@H](O)C1)C(c1ccccc1)c1ccccc1 ZINC000020941381 212191765 /nfs/dbraw/zinc/19/17/65/212191765.db2.gz SXEIEPVSAAKQMG-LJQANCHMSA-N 1 1 338.451 2.691 40 0 EFABMO CN(C(=O)C[N@H+]1CCC[C@@H](O)C1)C(c1ccccc1)c1ccccc1 ZINC000020941381 212191768 /nfs/dbraw/zinc/19/17/68/212191768.db2.gz SXEIEPVSAAKQMG-LJQANCHMSA-N 1 1 338.451 2.691 40 0 EFABMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ncnn2C(C)C)C1 ZINC000242140797 243009395 /nfs/dbraw/zinc/00/93/95/243009395.db2.gz WPIPQWWGVTWTLF-SJORKVTESA-N 1 1 342.443 2.638 40 0 EFABMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000242140797 243009400 /nfs/dbraw/zinc/00/94/00/243009400.db2.gz WPIPQWWGVTWTLF-SJORKVTESA-N 1 1 342.443 2.638 40 0 EFABMO C[C@@H]1[C@@H](CC(=O)N2CCCC2)COCC[N@H+]1Cc1cccc(F)c1 ZINC000249701217 243707702 /nfs/dbraw/zinc/70/77/02/243707702.db2.gz YGEZLTZGACGQGD-WBVHZDCISA-N 1 1 334.435 2.675 40 0 EFABMO C[C@@H]1c2nc(CC(=O)Nc3cccnc3)cn2CC[N@@H+]1C1CCCC1 ZINC000253591296 244028167 /nfs/dbraw/zinc/02/81/67/244028167.db2.gz LPCVSTZJJXMRIC-CQSZACIVSA-N 1 1 339.443 2.779 40 0 EFABMO C[C@@H]1c2nc(CC(=O)Nc3cccnc3)cn2CC[N@H+]1C1CCCC1 ZINC000253591296 244028172 /nfs/dbraw/zinc/02/81/72/244028172.db2.gz LPCVSTZJJXMRIC-CQSZACIVSA-N 1 1 339.443 2.779 40 0 EFABMO Cc1ccsc1C[NH+]1CC2(C1)CC[C@H](CNc1ncccn1)CO2 ZINC000253599918 244031602 /nfs/dbraw/zinc/03/16/02/244031602.db2.gz XPDSEGJHWYXTJT-OAHLLOKOSA-N 1 1 344.484 2.940 40 0 EFABMO c1coc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC000253613822 244038983 /nfs/dbraw/zinc/03/89/83/244038983.db2.gz OKIXGJGWTXGJOQ-YSVLISHTSA-N 1 1 334.441 2.932 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC000253613822 244038987 /nfs/dbraw/zinc/03/89/87/244038987.db2.gz OKIXGJGWTXGJOQ-YSVLISHTSA-N 1 1 334.441 2.932 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000253613821 244039613 /nfs/dbraw/zinc/03/96/13/244039613.db2.gz OKIXGJGWTXGJOQ-JLJPHGGASA-N 1 1 334.441 2.932 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000253613821 244039617 /nfs/dbraw/zinc/03/96/17/244039617.db2.gz OKIXGJGWTXGJOQ-JLJPHGGASA-N 1 1 334.441 2.932 40 0 EFABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCn3ccnc3)cc2)C1 ZINC000020456315 212131862 /nfs/dbraw/zinc/13/18/62/212131862.db2.gz IHXDDBTYLYCPTA-QGZVFWFLSA-N 1 1 340.471 2.935 40 0 EFABMO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)CC[C@]12CCCO2 ZINC000257199638 244114896 /nfs/dbraw/zinc/11/48/96/244114896.db2.gz AAFFKFMFWXOFOT-VQIMIIECSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)CC[C@]12CCCO2 ZINC000257199638 244114899 /nfs/dbraw/zinc/11/48/99/244114899.db2.gz AAFFKFMFWXOFOT-VQIMIIECSA-N 1 1 332.444 2.512 40 0 EFABMO CC(=O)N1CCC[C@@H]1c1cncc(C[N@@H+](C)CCc2ccccc2)n1 ZINC000257200641 244116838 /nfs/dbraw/zinc/11/68/38/244116838.db2.gz AEEOLYFEDKQPHY-HXUWFJFHSA-N 1 1 338.455 2.835 40 0 EFABMO CN(C)c1nc([C@@H]2CCC[N@@H+](Cc3cnccn3)C2)cn2cccc12 ZINC000257203730 244128463 /nfs/dbraw/zinc/12/84/63/244128463.db2.gz ARKCWYNJYBIRCQ-OAHLLOKOSA-N 1 1 336.443 2.570 40 0 EFABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257207850 244141170 /nfs/dbraw/zinc/14/11/70/244141170.db2.gz BJPKCWMXBYVKJZ-INIZCTEOSA-N 1 1 338.459 2.768 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257212501 244153738 /nfs/dbraw/zinc/15/37/38/244153738.db2.gz CDSJSJRLMWENSN-HNNXBMFYSA-N 1 1 329.448 2.747 40 0 EFABMO CCc1cc(C[C@H]2CCC[N@@H+](CC(=O)NC)CC2)c2cnccc2n1 ZINC000257222447 244189926 /nfs/dbraw/zinc/18/99/26/244189926.db2.gz DTIYCXLKCNYNLT-HNNXBMFYSA-N 1 1 340.471 2.583 40 0 EFABMO c1ccc2c(C[N@@H+]3CCOC[C@H](Cc4cnccn4)C3)ccnc2c1 ZINC000257230121 244209599 /nfs/dbraw/zinc/20/95/99/244209599.db2.gz GAXWDSWTKNCNKW-MRXNPFEDSA-N 1 1 334.423 2.716 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2[C@H](N(C)c3cccnn3)CC[C@@H]2C1 ZINC000257231631 244215531 /nfs/dbraw/zinc/21/55/31/244215531.db2.gz GHOHTXFQJUXSBS-QLFBSQMISA-N 1 1 329.473 2.588 40 0 EFABMO C[N@H+]1CCN(Cc2c[nH]cn2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257242889 244247990 /nfs/dbraw/zinc/24/79/90/244247990.db2.gz IEPXOBNOOPWWBC-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@@H+]1CCN(Cc2cnc[nH]2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257242889 244247994 /nfs/dbraw/zinc/24/79/94/244247994.db2.gz IEPXOBNOOPWWBC-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@H+]1CCN(Cc2cnc[nH]2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257242889 244247997 /nfs/dbraw/zinc/24/79/97/244247997.db2.gz IEPXOBNOOPWWBC-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO Cc1cccc(CN2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)n1 ZINC000257245430 244256515 /nfs/dbraw/zinc/25/65/15/244256515.db2.gz IPLRWRSUCFYRBQ-IBGZPJMESA-N 1 1 326.444 2.733 40 0 EFABMO Cn1cc(C[N@H+]2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)cn1 ZINC000257240641 244242931 /nfs/dbraw/zinc/24/29/31/244242931.db2.gz HUMLJQPVSOEDJM-BJLQDIEVSA-N 1 1 338.455 2.795 40 0 EFABMO Cc1nc(C)c(CC(=O)N[C@H]2CCCN(c3cccc(C)[nH+]3)C2)s1 ZINC000257247006 244260322 /nfs/dbraw/zinc/26/03/22/244260322.db2.gz IWYBZMKBRFWORO-HNNXBMFYSA-N 1 1 344.484 2.791 40 0 EFABMO Cc1ncc(CNC(=O)Cc2ccccc2F)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257253449 244276749 /nfs/dbraw/zinc/27/67/49/244276749.db2.gz JYYXAQRPDBCQCW-QGZVFWFLSA-N 1 1 342.418 2.550 40 0 EFABMO Cc1nc([C@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc(=O)[nH]1 ZINC000257255348 244277553 /nfs/dbraw/zinc/27/75/53/244277553.db2.gz KHCQBMLKZQMCQJ-GOSISDBHSA-N 1 1 336.395 2.612 40 0 EFABMO Cc1nc([C@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc(=O)[nH]1 ZINC000257255348 244277559 /nfs/dbraw/zinc/27/75/59/244277559.db2.gz KHCQBMLKZQMCQJ-GOSISDBHSA-N 1 1 336.395 2.612 40 0 EFABMO CO[C@H]1C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)CC[C@@]12CCCO2 ZINC000257260175 244292965 /nfs/dbraw/zinc/29/29/65/244292965.db2.gz LBQPAFXLFGMPEB-ICSRJNTNSA-N 1 1 344.455 2.583 40 0 EFABMO CCCOC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000257268394 244365785 /nfs/dbraw/zinc/36/57/85/244365785.db2.gz MLMCNGWZHSVYLJ-SFHVURJKSA-N 1 1 331.460 2.880 40 0 EFABMO Clc1cccc(C[NH+]2CC3(C2)CO[C@@H](Cc2cncnc2)C3)c1 ZINC000257270848 244376727 /nfs/dbraw/zinc/37/67/27/244376727.db2.gz MVWPSMHOLZBCRA-KRWDZBQOSA-N 1 1 329.831 2.964 40 0 EFABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257272328 244382488 /nfs/dbraw/zinc/38/24/88/244382488.db2.gz NCADJAOGMZTVGB-QGZVFWFLSA-N 1 1 327.428 2.536 40 0 EFABMO Cn1cnc(C[N@@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257273049 244383879 /nfs/dbraw/zinc/38/38/79/244383879.db2.gz NFANDWCHZNTLOG-INIZCTEOSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1cnc(C[N@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257273049 244383884 /nfs/dbraw/zinc/38/38/84/244383884.db2.gz NFANDWCHZNTLOG-INIZCTEOSA-N 1 1 325.412 2.857 40 0 EFABMO C[C@@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(-c2ccccc2)c1 ZINC000019719702 212057683 /nfs/dbraw/zinc/05/76/83/212057683.db2.gz PWGVHHPZYODNKY-INIZCTEOSA-N 1 1 337.427 2.629 40 0 EFABMO C[C@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(-c2ccccc2)c1 ZINC000019719703 212057210 /nfs/dbraw/zinc/05/72/10/212057210.db2.gz PWGVHHPZYODNKY-MRXNPFEDSA-N 1 1 337.427 2.629 40 0 EFABMO CCN1CCc2cc(-c3cncn3[C@H](C)C[NH+]3CCOCC3)ccc21 ZINC000019719382 212056527 /nfs/dbraw/zinc/05/65/27/212056527.db2.gz YJLKYRJSRUQUTE-MRXNPFEDSA-N 1 1 340.471 2.826 40 0 EFABMO CCCn1nc(C)c(-c2cncn2[C@H](C)C[NH+]2CCOCC2)c1C ZINC000019654462 212052884 /nfs/dbraw/zinc/05/28/84/212052884.db2.gz CBBBXJFCWNEUBY-CQSZACIVSA-N 1 1 331.464 2.667 40 0 EFABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)no1 ZINC000019593523 212049946 /nfs/dbraw/zinc/04/99/46/212049946.db2.gz CDUTVLAGOPRODB-MRXNPFEDSA-N 1 1 349.475 2.811 40 0 EFABMO COc1ccccc1C[NH2+]Cc1cc(N(C)C)nc(-c2cccnc2)n1 ZINC000019584540 212047566 /nfs/dbraw/zinc/04/75/66/212047566.db2.gz ZCPXGPVDPAUSSJ-UHFFFAOYSA-N 1 1 349.438 2.903 40 0 EFABMO COc1cccc(C[N@@H+]2CCN(C(=O)c3cc(C)[nH]c3C)[C@@H](C)C2)c1 ZINC000019566831 212043807 /nfs/dbraw/zinc/04/38/07/212043807.db2.gz JDWBRVYFTBBVBS-HNNXBMFYSA-N 1 1 341.455 2.987 40 0 EFABMO COc1cccc(C[N@H+]2CCN(C(=O)c3cc(C)[nH]c3C)[C@@H](C)C2)c1 ZINC000019566831 212043811 /nfs/dbraw/zinc/04/38/11/212043811.db2.gz JDWBRVYFTBBVBS-HNNXBMFYSA-N 1 1 341.455 2.987 40 0 EFABMO Cc1nonc1CN1CC[NH+](CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000019559170 212042142 /nfs/dbraw/zinc/04/21/42/212042142.db2.gz FSBSTJJXWIRYCE-UHFFFAOYSA-N 1 1 346.862 2.881 40 0 EFABMO CCc1cc(=O)[nH]c([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019522512 212037230 /nfs/dbraw/zinc/03/72/30/212037230.db2.gz NGCDRVRZZBNBSG-CYBMUJFWSA-N 1 1 333.382 2.990 40 0 EFABMO CCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019522512 212037233 /nfs/dbraw/zinc/03/72/33/212037233.db2.gz NGCDRVRZZBNBSG-CYBMUJFWSA-N 1 1 333.382 2.990 40 0 EFABMO O[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)[C@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372765 212023287 /nfs/dbraw/zinc/02/32/87/212023287.db2.gz MSWUIELLDOVATN-QHAWAJNXSA-N 1 1 340.442 2.688 40 0 EFABMO OCC[N@H+](Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000019331006 212017200 /nfs/dbraw/zinc/01/72/00/212017200.db2.gz FELIDTTVPMAQGR-UHFFFAOYSA-N 1 1 336.395 2.658 40 0 EFABMO OCC[N@@H+](Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000019331006 212017202 /nfs/dbraw/zinc/01/72/02/212017202.db2.gz FELIDTTVPMAQGR-UHFFFAOYSA-N 1 1 336.395 2.658 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n2c(n1)CCC2 ZINC000019292726 212013022 /nfs/dbraw/zinc/01/30/22/212013022.db2.gz XEEIRYVTLZEXMC-ZDUSSCGKSA-N 1 1 345.393 2.847 40 0 EFABMO O=c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)n2c(n1)CCC2 ZINC000019292726 212013023 /nfs/dbraw/zinc/01/30/23/212013023.db2.gz XEEIRYVTLZEXMC-ZDUSSCGKSA-N 1 1 345.393 2.847 40 0 EFABMO Cn1cc(C[N@@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)cn1 ZINC000019290686 212011530 /nfs/dbraw/zinc/01/15/30/212011530.db2.gz QKJAOLZPVSNODF-CQSZACIVSA-N 1 1 346.818 2.819 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)cn1 ZINC000019290686 212011531 /nfs/dbraw/zinc/01/15/31/212011531.db2.gz QKJAOLZPVSNODF-CQSZACIVSA-N 1 1 346.818 2.819 40 0 EFABMO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccc(C)o4)C3)cc(N)n2n1 ZINC000019216613 212005202 /nfs/dbraw/zinc/00/52/02/212005202.db2.gz IXPVNGILTFEYSO-AWEZNQCLSA-N 1 1 325.416 2.901 40 0 EFABMO O=S(=O)(c1cccc(C[NH2+]Cc2ccco2)c1)N1CCCCC1 ZINC000078394291 217046913 /nfs/dbraw/zinc/04/69/13/217046913.db2.gz RETSLNYLWLUKHA-UHFFFAOYSA-N 1 1 334.441 2.744 40 0 EFABMO C[C@H](c1ccc(NS(=O)(=O)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000078986306 217164745 /nfs/dbraw/zinc/16/47/45/217164745.db2.gz BRMQNCHOUFYTBQ-OAHLLOKOSA-N 1 1 346.452 2.881 40 0 EFABMO Cn1cc(CCC[N@@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cn1 ZINC000079097366 217191610 /nfs/dbraw/zinc/19/16/10/217191610.db2.gz OSBLBBJJMKEGQV-UHFFFAOYSA-N 1 1 340.471 2.589 40 0 EFABMO CC(=O)Nc1cccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1 ZINC000079311495 217207704 /nfs/dbraw/zinc/20/77/04/217207704.db2.gz FXQHZWQVAZEMDO-HXUWFJFHSA-N 1 1 342.439 2.655 40 0 EFABMO C[N@@H+](Cc1nc2c(cccc2F)[nH]1)C[C@@H](O)COCc1ccccc1 ZINC000079311515 217207446 /nfs/dbraw/zinc/20/74/46/217207446.db2.gz YMDOKIPEUNGUBT-OAHLLOKOSA-N 1 1 343.402 2.712 40 0 EFABMO C[N@H+](Cc1nc2c(cccc2F)[nH]1)C[C@@H](O)COCc1ccccc1 ZINC000079311515 217207451 /nfs/dbraw/zinc/20/74/51/217207451.db2.gz YMDOKIPEUNGUBT-OAHLLOKOSA-N 1 1 343.402 2.712 40 0 EFABMO CC(C)[N@H+](CCN)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391837 217219546 /nfs/dbraw/zinc/21/95/46/217219546.db2.gz VQHMNCFCSIYECI-GOSISDBHSA-N 1 1 333.476 2.847 40 0 EFABMO CC(C)[N@@H+](CCN)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391837 217219551 /nfs/dbraw/zinc/21/95/51/217219551.db2.gz VQHMNCFCSIYECI-GOSISDBHSA-N 1 1 333.476 2.847 40 0 EFABMO CC(C)[N@@H+](CCO)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391727 217218617 /nfs/dbraw/zinc/21/86/17/217218617.db2.gz XBJQBZOXZFLQJW-UHFFFAOYSA-N 1 1 334.460 2.927 40 0 EFABMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000079895680 217262142 /nfs/dbraw/zinc/26/21/42/217262142.db2.gz ICVPTNPAPOMJKF-LLVKDONJSA-N 1 1 348.340 2.685 40 0 EFABMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000012377834 211359925 /nfs/dbraw/zinc/35/99/25/211359925.db2.gz XOOKMKTWIXOUPA-GXTWGEPZSA-N 1 1 328.250 2.921 40 0 EFABMO CCCc1ncc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cn1 ZINC000012328633 211349946 /nfs/dbraw/zinc/34/99/46/211349946.db2.gz WIAOPMLWSOPUBA-UHFFFAOYSA-N 1 1 341.455 2.921 40 0 EFABMO COc1ccc(C[NH+]2CCC(O)(c3cccnc3F)CC2)cc1OC ZINC000012329205 211349455 /nfs/dbraw/zinc/34/94/55/211349455.db2.gz IDCDTQZPEKOGKY-UHFFFAOYSA-N 1 1 346.402 2.722 40 0 EFABMO COc1ccc(C[NH+]2CCC(O)(c3cccnc3F)CC2)c(OC)c1 ZINC000012328248 211349179 /nfs/dbraw/zinc/34/91/79/211349179.db2.gz UPDMZVAWGIDNBE-UHFFFAOYSA-N 1 1 346.402 2.722 40 0 EFABMO Cc1cc(C)c2cc(C[NH2+]Cc3ccco3)c3nn(C)c(=O)n3c2c1 ZINC000012325221 211348894 /nfs/dbraw/zinc/34/88/94/211348894.db2.gz WYTFKWWBJHBWAX-UHFFFAOYSA-N 1 1 336.395 2.686 40 0 EFABMO C[C@@H](C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012185062 211312522 /nfs/dbraw/zinc/31/25/22/211312522.db2.gz GWGNBJHBMASGSZ-HNNXBMFYSA-N 1 1 338.455 2.532 40 0 EFABMO C[C@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000012148643 211308276 /nfs/dbraw/zinc/30/82/76/211308276.db2.gz NNEGDVHHAAPLRP-HNNXBMFYSA-N 1 1 341.459 2.508 40 0 EFABMO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2cccnc2)n1 ZINC000012147978 211308215 /nfs/dbraw/zinc/30/82/15/211308215.db2.gz WZBOMAHHQZOCMY-SFHVURJKSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2cccnc2)n1 ZINC000012147978 211308219 /nfs/dbraw/zinc/30/82/19/211308219.db2.gz WZBOMAHHQZOCMY-SFHVURJKSA-N 1 1 340.427 2.551 40 0 EFABMO COc1ccccc1CN(Cc1c[nH+]c(C)n1C)C[C@H]1CCCO1 ZINC000012147109 211305801 /nfs/dbraw/zinc/30/58/01/211305801.db2.gz VDWKMBAJVMCNAD-GOSISDBHSA-N 1 1 329.444 2.918 40 0 EFABMO COCc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)o1 ZINC000091685372 218047254 /nfs/dbraw/zinc/04/72/54/218047254.db2.gz IQFDRMJZJWQJEM-HNNXBMFYSA-N 1 1 343.427 2.980 40 0 EFABMO CCC(=O)N1CCC[N@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000091734111 218055085 /nfs/dbraw/zinc/05/50/85/218055085.db2.gz CHJTUTLSBAXNQG-UHFFFAOYSA-N 1 1 328.815 2.802 40 0 EFABMO CCC(=O)N1CCC[N@@H+](CCOc2ccc(F)cc2Cl)CC1 ZINC000091734111 218055087 /nfs/dbraw/zinc/05/50/87/218055087.db2.gz CHJTUTLSBAXNQG-UHFFFAOYSA-N 1 1 328.815 2.802 40 0 EFABMO COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000092015691 218104135 /nfs/dbraw/zinc/10/41/35/218104135.db2.gz BIZUGPRMIRRGFA-CQSZACIVSA-N 1 1 349.324 2.590 40 0 EFABMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000092101603 218119913 /nfs/dbraw/zinc/11/99/13/218119913.db2.gz FSOBFVWJFOFZAS-QGZVFWFLSA-N 1 1 340.427 2.569 40 0 EFABMO COCC[N@@H+]1[C@H](C)CN(Cc2cnc(-c3cccnc3)s2)C[C@@H]1C ZINC000093478814 218227380 /nfs/dbraw/zinc/22/73/80/218227380.db2.gz WAXWLPIEPVZGOU-GASCZTMLSA-N 1 1 346.500 2.746 40 0 EFABMO COCCN1[C@H](C)C[N@@H+](Cc2cnc(-c3cccnc3)s2)C[C@@H]1C ZINC000093478814 218227386 /nfs/dbraw/zinc/22/73/86/218227386.db2.gz WAXWLPIEPVZGOU-GASCZTMLSA-N 1 1 346.500 2.746 40 0 EFABMO COCCN1[C@H](C)C[N@H+](Cc2cnc(-c3cccnc3)s2)C[C@@H]1C ZINC000093478814 218227388 /nfs/dbraw/zinc/22/73/88/218227388.db2.gz WAXWLPIEPVZGOU-GASCZTMLSA-N 1 1 346.500 2.746 40 0 EFABMO CCC[C@H](C(=O)OCC)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000095397397 218329834 /nfs/dbraw/zinc/32/98/34/218329834.db2.gz ISWKFZWRZQIEPN-OAHLLOKOSA-N 1 1 338.473 2.674 40 0 EFABMO Cc1ccc2c(CCNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)c[nH]c2c1 ZINC000095405305 218341368 /nfs/dbraw/zinc/34/13/68/218341368.db2.gz BVSNAHDOELSNLB-SJORKVTESA-N 1 1 340.471 2.897 40 0 EFABMO CCc1noc(CC)c1CC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000095410121 218347056 /nfs/dbraw/zinc/34/70/56/218347056.db2.gz RNJKMUVESKYHTI-UHFFFAOYSA-N 1 1 325.372 2.561 40 0 EFABMO O=C(c1ncncc1Cl)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000178610716 296307165 /nfs/dbraw/zinc/30/71/65/296307165.db2.gz ZTAYFVXRXRHLNY-ZDUSSCGKSA-N 1 1 328.803 2.755 40 0 EFABMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000007811990 210850758 /nfs/dbraw/zinc/85/07/58/210850758.db2.gz DGAWJMLENWNHCW-VXGBXAGGSA-N 1 1 349.500 2.642 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228954 218705905 /nfs/dbraw/zinc/70/59/05/218705905.db2.gz SSMQGJPYWPCXCI-HXUWFJFHSA-N 1 1 340.471 2.539 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228954 218705906 /nfs/dbraw/zinc/70/59/06/218705906.db2.gz SSMQGJPYWPCXCI-HXUWFJFHSA-N 1 1 340.471 2.539 40 0 EFABMO CSc1cncc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000132299428 533067180 /nfs/dbraw/zinc/06/71/80/533067180.db2.gz QTTPLQCQJRXXKO-HIFRSBDPSA-N 1 1 329.473 2.916 40 0 EFABMO COCc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000097378900 219020528 /nfs/dbraw/zinc/02/05/28/219020528.db2.gz XZAQIIMXNDFVMQ-CHWSQXEVSA-N 1 1 336.461 2.717 40 0 EFABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2([NH3+])COC)cc1 ZINC000242495743 257684113 /nfs/dbraw/zinc/68/41/13/257684113.db2.gz GPCJZZFTFGODSG-QYZOEREBSA-N 1 1 345.464 2.533 40 0 EFABMO CN(Cc1cnccn1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446796 257834421 /nfs/dbraw/zinc/83/44/21/257834421.db2.gz VTYWJHJTFAYYPA-SFHVURJKSA-N 1 1 342.418 2.629 40 0 EFABMO CN(Cc1cnccn1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446796 257834423 /nfs/dbraw/zinc/83/44/23/257834423.db2.gz VTYWJHJTFAYYPA-SFHVURJKSA-N 1 1 342.418 2.629 40 0 EFABMO CC[N@@H+](C)Cc1cccc(CNC(=O)CSc2ccncc2)c1 ZINC000096134048 257834709 /nfs/dbraw/zinc/83/47/09/257834709.db2.gz GVOBJMVRDVJWPD-UHFFFAOYSA-N 1 1 329.469 2.942 40 0 EFABMO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@H+]2CC1CC1 ZINC000306128517 257919009 /nfs/dbraw/zinc/91/90/09/257919009.db2.gz HCWSWOIDALXQKT-LZQZEXGQSA-N 1 1 346.515 2.772 40 0 EFABMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000096486918 544558834 /nfs/dbraw/zinc/55/88/34/544558834.db2.gz KPKDQJFCCUBMLL-GOEBONIOSA-N 1 1 344.484 2.868 40 0 EFABMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000096486918 544558837 /nfs/dbraw/zinc/55/88/37/544558837.db2.gz KPKDQJFCCUBMLL-GOEBONIOSA-N 1 1 344.484 2.868 40 0 EFABMO Cc1noc(C)c1CC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000165987487 544850177 /nfs/dbraw/zinc/85/01/77/544850177.db2.gz JUWPOKPFGZZUSL-HNNXBMFYSA-N 1 1 325.416 2.756 40 0 EFABMO CO[C@H]1CCN(Cc2ccsc2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109458 274080929 /nfs/dbraw/zinc/08/09/29/274080929.db2.gz KOCLSUVSOXBCNR-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109458 274080931 /nfs/dbraw/zinc/08/09/31/274080931.db2.gz KOCLSUVSOXBCNR-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109458 274080934 /nfs/dbraw/zinc/08/09/34/274080934.db2.gz KOCLSUVSOXBCNR-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO C[N@H+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)C2(CCCCC2)C1 ZINC000157762495 277099998 /nfs/dbraw/zinc/09/99/98/277099998.db2.gz FQCBZEWYLDKOQI-UHFFFAOYSA-N 1 1 342.365 2.586 40 0 EFABMO COc1cc2c(cc1C[NH2+][C@H](c1nccn1C)C1CC1)O[C@@H](C)C2 ZINC000127560981 277846436 /nfs/dbraw/zinc/84/64/36/277846436.db2.gz JMVJGYOMEVMVES-SGTLLEGYSA-N 1 1 327.428 2.993 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2ccsc2)C1 ZINC000096066929 279384277 /nfs/dbraw/zinc/38/42/77/279384277.db2.gz KRFZNEJUIOCBIL-AWEZNQCLSA-N 1 1 332.473 2.557 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1Cn2ccnc2CN(C(=O)c2cccs2)C1 ZINC000096188327 279384380 /nfs/dbraw/zinc/38/43/80/279384380.db2.gz QZGNJXGORDDHLG-AWEZNQCLSA-N 1 1 332.473 2.557 40 0 EFABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096070008 279396024 /nfs/dbraw/zinc/39/60/24/279396024.db2.gz HUKMMDZKCQJQPT-QRVBRYPASA-N 1 1 330.472 2.575 40 0 EFABMO COc1ccc(C[NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000069171316 295134910 /nfs/dbraw/zinc/13/49/10/295134910.db2.gz FEKOQCMLUZZJEJ-NRFANRHFSA-N 1 1 339.483 2.774 40 0 EFABMO Cc1nnc([C@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)o1 ZINC000329115888 311266096 /nfs/dbraw/zinc/26/60/96/311266096.db2.gz NAUBHFWNKLOUOF-DZGCQCFKSA-N 1 1 332.448 2.554 40 0 EFABMO CCN1CC[C@H]([NH2+]Cc2csnn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000097371238 323214253 /nfs/dbraw/zinc/21/42/53/323214253.db2.gz WYFIZOCEUQNUFB-ZFWWWQNUSA-N 1 1 342.390 2.881 40 0 EFABMO C[N@H+](CC(=O)Nc1nc(-c2ccccn2)cs1)[C@@H]1CCSC1 ZINC000095448681 473206775 /nfs/dbraw/zinc/20/67/75/473206775.db2.gz QNFYMOFLKQNPHU-LLVKDONJSA-N 1 1 334.470 2.581 40 0 EFABMO C[N@@H+](CC(=O)Nc1nc(-c2ccccn2)cs1)[C@@H]1CCSC1 ZINC000095448681 473206780 /nfs/dbraw/zinc/20/67/80/473206780.db2.gz QNFYMOFLKQNPHU-LLVKDONJSA-N 1 1 334.470 2.581 40 0 EFABMO CCC[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000095463280 473208954 /nfs/dbraw/zinc/20/89/54/473208954.db2.gz CXWXCXGTWTUWRM-GOSISDBHSA-N 1 1 339.439 2.502 40 0 EFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000095533723 473222647 /nfs/dbraw/zinc/22/26/47/473222647.db2.gz MDHOJRIWJFBMSV-MRXNPFEDSA-N 1 1 340.383 2.546 40 0 EFABMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000096432856 473411590 /nfs/dbraw/zinc/41/15/90/473411590.db2.gz YLPNSXBCUXWWLP-JTQLQIEISA-N 1 1 335.395 2.695 40 0 EFABMO CC[C@@H]1[N@@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2CCOC ZINC000096038508 473258218 /nfs/dbraw/zinc/25/82/18/473258218.db2.gz YLJARHDOFMXADX-HKUYNNGSSA-N 1 1 334.460 2.970 40 0 EFABMO Cc1cccc(C[N@@H+]2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040686 473261178 /nfs/dbraw/zinc/26/11/78/473261178.db2.gz JQMKLLNTBPENCV-HQRMLTQVSA-N 1 1 338.455 2.877 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040440 473262054 /nfs/dbraw/zinc/26/20/54/473262054.db2.gz CAKIHSVVOFRMSV-MJGOQNOKSA-N 1 1 332.444 2.511 40 0 EFABMO O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000190407347 473262841 /nfs/dbraw/zinc/26/28/41/473262841.db2.gz GXVUJKOROBPEGR-QYZOEREBSA-N 1 1 345.487 2.501 40 0 EFABMO Cc1ncsc1C[N@@H+]1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042624 473265809 /nfs/dbraw/zinc/26/58/09/473265809.db2.gz MMKPTZAKVLFINC-FMKPAKJESA-N 1 1 349.431 2.796 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042624 473265818 /nfs/dbraw/zinc/26/58/18/473265818.db2.gz MMKPTZAKVLFINC-FMKPAKJESA-N 1 1 349.431 2.796 40 0 EFABMO Cc1nc([C@@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)sc1C ZINC000096046309 473267250 /nfs/dbraw/zinc/26/72/50/473267250.db2.gz HPKSQBDZKNBFIL-HRCADAONSA-N 1 1 332.473 2.846 40 0 EFABMO Cc1nc([C@@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)sc1C ZINC000096046309 473267256 /nfs/dbraw/zinc/26/72/56/473267256.db2.gz HPKSQBDZKNBFIL-HRCADAONSA-N 1 1 332.473 2.846 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)s1 ZINC000096047420 473268203 /nfs/dbraw/zinc/26/82/03/473268203.db2.gz UZVQSBZWXJWAAV-MRXNPFEDSA-N 1 1 342.530 2.837 40 0 EFABMO Cn1cc(C[NH+]2CCC3(CCN(Cc4nccs4)CC3)CC2)cn1 ZINC000096047214 473268472 /nfs/dbraw/zinc/26/84/72/473268472.db2.gz YDQGGOUVSJLEKV-UHFFFAOYSA-N 1 1 345.516 2.755 40 0 EFABMO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096047110 473268677 /nfs/dbraw/zinc/26/86/77/473268677.db2.gz RMOPKOVTZUGEQC-FQEVSTJZSA-N 1 1 339.439 2.732 40 0 EFABMO CN(Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096047972 473268942 /nfs/dbraw/zinc/26/89/42/473268942.db2.gz GHFCZYCTCSUJHM-GOSISDBHSA-N 1 1 341.455 2.930 40 0 EFABMO CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096047412 473269710 /nfs/dbraw/zinc/26/97/10/473269710.db2.gz LDCJSHHFZZLVPE-HNNXBMFYSA-N 1 1 328.503 2.528 40 0 EFABMO Cn1cc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046974 473269868 /nfs/dbraw/zinc/26/98/68/473269868.db2.gz ZYLRBUYAAOTOQP-GOSISDBHSA-N 1 1 330.501 2.970 40 0 EFABMO COCCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000096047527 473270030 /nfs/dbraw/zinc/27/00/30/473270030.db2.gz MKTHOYTYHHMCNQ-FQEVSTJZSA-N 1 1 346.471 2.689 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096048346 473271273 /nfs/dbraw/zinc/27/12/73/473271273.db2.gz IVEJELFOAQESEA-YJBOKZPZSA-N 1 1 328.416 2.614 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096048621 473271376 /nfs/dbraw/zinc/27/13/76/473271376.db2.gz OSUUBLIAPKMCFK-HXUWFJFHSA-N 1 1 339.439 2.998 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096048620 473271655 /nfs/dbraw/zinc/27/16/55/473271655.db2.gz OSUUBLIAPKMCFK-FQEVSTJZSA-N 1 1 339.439 2.998 40 0 EFABMO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096048263 473272437 /nfs/dbraw/zinc/27/24/37/473272437.db2.gz FPHUCWOELQBEQG-RBUKOAKNSA-N 1 1 325.412 2.679 40 0 EFABMO c1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096049511 473273056 /nfs/dbraw/zinc/27/30/56/473273056.db2.gz DQNLYXXVROGSCG-SFHVURJKSA-N 1 1 344.484 2.657 40 0 EFABMO c1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cs1 ZINC000096049512 473273634 /nfs/dbraw/zinc/27/36/34/473273634.db2.gz DQNLYXXVROGSCG-GOSISDBHSA-N 1 1 344.484 2.657 40 0 EFABMO COc1ccc(C[N@@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)cc1 ZINC000096049134 473274223 /nfs/dbraw/zinc/27/42/23/473274223.db2.gz CAJOUUOFAQAKFO-HXUWFJFHSA-N 1 1 346.471 2.545 40 0 EFABMO COc1ccc(C[N@H+]2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)cc1 ZINC000096049134 473274226 /nfs/dbraw/zinc/27/42/26/473274226.db2.gz CAJOUUOFAQAKFO-HXUWFJFHSA-N 1 1 346.471 2.545 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2nncs2)C3)o1 ZINC000096049670 473274595 /nfs/dbraw/zinc/27/45/95/473274595.db2.gz RMJUTJRHBSQBQP-KRWDZBQOSA-N 1 1 348.472 2.559 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccccn3)C2)CN1c1cccc(F)c1 ZINC000096050730 473274621 /nfs/dbraw/zinc/27/46/21/473274621.db2.gz YRAZNFYEQXQQBX-LJQANCHMSA-N 1 1 325.387 2.850 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)NC(C)C)C3(C2)CCOCC3)s1 ZINC000096052100 473275380 /nfs/dbraw/zinc/27/53/80/473275380.db2.gz LIRDJNRXNAWALF-INIZCTEOSA-N 1 1 336.501 2.810 40 0 EFABMO O=C1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053710 473275650 /nfs/dbraw/zinc/27/56/50/473275650.db2.gz UVSMEYANHZOTJD-RDJZCZTQSA-N 1 1 330.428 2.978 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccco2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051173 473276586 /nfs/dbraw/zinc/27/65/86/473276586.db2.gz INSPKZCILPDKQD-MRXNPFEDSA-N 1 1 334.370 2.807 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)nc1 ZINC000096051905 473277000 /nfs/dbraw/zinc/27/70/00/473277000.db2.gz ABPSBVNSLZUUTJ-FXAWDEMLSA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@]3(CCC[C@H]3COc3cccnc3)C2)nc1 ZINC000096051905 473277006 /nfs/dbraw/zinc/27/70/06/473277006.db2.gz ABPSBVNSLZUUTJ-FXAWDEMLSA-N 1 1 339.439 2.927 40 0 EFABMO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4nccs4)CC[N@H+]3C2)c1 ZINC000096055146 473277693 /nfs/dbraw/zinc/27/76/93/473277693.db2.gz QGRWLWBWGURQKP-GOEBONIOSA-N 1 1 333.432 2.620 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055161 473277938 /nfs/dbraw/zinc/27/79/38/473277938.db2.gz IUORXDZPHVOVBO-IEBWSBKVSA-N 1 1 343.496 2.866 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096055161 473277943 /nfs/dbraw/zinc/27/79/43/473277943.db2.gz IUORXDZPHVOVBO-IEBWSBKVSA-N 1 1 343.496 2.866 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2ccncc2)s1 ZINC000096055680 473278128 /nfs/dbraw/zinc/27/81/28/473278128.db2.gz WUXAEHYHWVRROU-DLBZAZTESA-N 1 1 327.453 2.827 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000096055123 473278587 /nfs/dbraw/zinc/27/85/87/473278587.db2.gz SQXOYEIHHGXUSK-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000096055123 473278595 /nfs/dbraw/zinc/27/85/95/473278595.db2.gz SQXOYEIHHGXUSK-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000096055123 473278602 /nfs/dbraw/zinc/27/86/02/473278602.db2.gz SQXOYEIHHGXUSK-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4cccs4)CC[N@H+]3C2)n1 ZINC000096055069 473278795 /nfs/dbraw/zinc/27/87/95/473278795.db2.gz ALPOSNWRPHAPTP-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@H]3C[N@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055069 473278804 /nfs/dbraw/zinc/27/88/04/473278804.db2.gz ALPOSNWRPHAPTP-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@H]3C[N@@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055069 473278811 /nfs/dbraw/zinc/27/88/11/473278811.db2.gz ALPOSNWRPHAPTP-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000096054582 473279925 /nfs/dbraw/zinc/27/99/25/473279925.db2.gz YUYIWESOKHMODH-QILLFSRXSA-N 1 1 327.428 2.980 40 0 EFABMO c1cnn(CCCO[C@@H]2C[N@@H+](Cc3cccs3)[C@@H]3CCCO[C@H]23)c1 ZINC000096058164 473280570 /nfs/dbraw/zinc/28/05/70/473280570.db2.gz QYPZQDQUWPAWIM-KURKYZTESA-N 1 1 347.484 2.783 40 0 EFABMO COc1ccc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)cc1 ZINC000096058084 473281834 /nfs/dbraw/zinc/28/18/34/473281834.db2.gz LSLDXGVYJXWUKM-UFYCRDLUSA-N 1 1 340.423 2.901 40 0 EFABMO COc1ccc(C[N@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)cc1 ZINC000096058647 473282750 /nfs/dbraw/zinc/28/27/50/473282750.db2.gz UTAIDLCJUBJTBY-MRXNPFEDSA-N 1 1 339.439 2.590 40 0 EFABMO O=c1ccc2c(n1CC1CC1)CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096059351 473283024 /nfs/dbraw/zinc/28/30/24/473283024.db2.gz RIIMXGQIJZLXHN-UHFFFAOYSA-N 1 1 326.415 2.998 40 0 EFABMO COc1ccc(C[N@H+]2CCc3ncnc(OC(C)C)c3CC2)cc1 ZINC000096058784 473283056 /nfs/dbraw/zinc/28/30/56/473283056.db2.gz MJRPOALBRIFEMG-UHFFFAOYSA-N 1 1 327.428 2.873 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)s1 ZINC000096058640 473283545 /nfs/dbraw/zinc/28/35/45/473283545.db2.gz LZPJGVYOJOYGLH-AWEZNQCLSA-N 1 1 329.469 2.951 40 0 EFABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3nccs3)C[C@H]12 ZINC000096058457 473283932 /nfs/dbraw/zinc/28/39/32/473283932.db2.gz ODQIBWAKSHFJHS-PKOBYXMFSA-N 1 1 341.480 2.908 40 0 EFABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3nccs3)C[C@H]12 ZINC000096058457 473283938 /nfs/dbraw/zinc/28/39/38/473283938.db2.gz ODQIBWAKSHFJHS-PKOBYXMFSA-N 1 1 341.480 2.908 40 0 EFABMO Cc1oncc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccoc1)C2 ZINC000096062962 473286583 /nfs/dbraw/zinc/28/65/83/473286583.db2.gz UEOBEMSYZHPSAM-GOSISDBHSA-N 1 1 329.400 2.704 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1Cn2ccnc2CN(CCc2ccccc2)C1 ZINC000096066933 473286829 /nfs/dbraw/zinc/28/68/29/473286829.db2.gz ZYFHPBSTUWITQS-LJQANCHMSA-N 1 1 326.488 2.898 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096066303 473286907 /nfs/dbraw/zinc/28/69/07/473286907.db2.gz NJAYWYBTOBGUDC-UAGQMJEPSA-N 1 1 343.452 2.761 40 0 EFABMO Cc1ccc(C[N@H+]2CCCC3(CCN(C(=O)CN(C)C)CC3)C2)cc1 ZINC000096063023 473287278 /nfs/dbraw/zinc/28/72/78/473287278.db2.gz KUPZAGVVKYHDSQ-UHFFFAOYSA-N 1 1 343.515 2.761 40 0 EFABMO Cc1ccc(C[N@@H+]2CCCC3(CCN(C(=O)CN(C)C)CC3)C2)cc1 ZINC000096063023 473287287 /nfs/dbraw/zinc/28/72/87/473287287.db2.gz KUPZAGVVKYHDSQ-UHFFFAOYSA-N 1 1 343.515 2.761 40 0 EFABMO O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]2O1 ZINC000096066235 473287817 /nfs/dbraw/zinc/28/78/17/473287817.db2.gz ALRQYZZNVUXDRB-RRQGHBQHSA-N 1 1 343.452 2.761 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2ccsc2)C1 ZINC000096066928 473287960 /nfs/dbraw/zinc/28/79/60/473287960.db2.gz KRFZNEJUIOCBIL-CQSZACIVSA-N 1 1 332.473 2.557 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1Cn2ccnc2CN(CCc2ccccc2)C1 ZINC000096066932 473287984 /nfs/dbraw/zinc/28/79/84/473287984.db2.gz ZYFHPBSTUWITQS-IBGZPJMESA-N 1 1 326.488 2.898 40 0 EFABMO Cc1occc1C(=O)N1CCOC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096070378 473288643 /nfs/dbraw/zinc/28/86/43/473288643.db2.gz ISWKVIHZQUINLN-LJQANCHMSA-N 1 1 344.411 2.546 40 0 EFABMO c1csc(C[N@H+]2CCCC3(CCN(c4ncccn4)CC3)C2)n1 ZINC000096071876 473289216 /nfs/dbraw/zinc/28/92/16/473289216.db2.gz AZRQNNPINRJWRR-UHFFFAOYSA-N 1 1 329.473 2.816 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096073769 473289354 /nfs/dbraw/zinc/28/93/54/473289354.db2.gz NXQJJXWQEMDRAY-WMLDXEAASA-N 1 1 330.457 2.774 40 0 EFABMO Cc1nc(C[NH+]2CCC3(CC2)Cc2ccccc2CNC3=O)cs1 ZINC000096080008 473290918 /nfs/dbraw/zinc/29/09/18/473290918.db2.gz BZPXWSAJEBXZLT-UHFFFAOYSA-N 1 1 341.480 2.906 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)nc1 ZINC000096082874 473292443 /nfs/dbraw/zinc/29/24/43/473292443.db2.gz FXTISXKGGPLWQA-YSIASYRMSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@@H]32)nc1 ZINC000096082874 473292447 /nfs/dbraw/zinc/29/24/47/473292447.db2.gz FXTISXKGGPLWQA-YSIASYRMSA-N 1 1 339.439 2.673 40 0 EFABMO O=C(c1ccc2[nH]ccc2c1)N1Cc2nc(C[NH+]3CCCC3)oc2C1 ZINC000096086756 473293983 /nfs/dbraw/zinc/29/39/83/473293983.db2.gz GVVIELTZXUDVTC-UHFFFAOYSA-N 1 1 336.395 2.908 40 0 EFABMO O=C1C[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)CN1c1ccccn1 ZINC000096090380 473294023 /nfs/dbraw/zinc/29/40/23/473294023.db2.gz AGTJTKZPNAAYSI-IBGZPJMESA-N 1 1 325.387 2.850 40 0 EFABMO COCCC(=O)N1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071056 473290047 /nfs/dbraw/zinc/29/00/47/473290047.db2.gz WSZALTBSWHEWAK-GOSISDBHSA-N 1 1 336.863 2.943 40 0 EFABMO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000096107397 473299678 /nfs/dbraw/zinc/29/96/78/473299678.db2.gz KMQBBRYVJCYNBE-APWZRJJASA-N 1 1 343.402 2.818 40 0 EFABMO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096107626 473300680 /nfs/dbraw/zinc/30/06/80/473300680.db2.gz KXZNCQANKDQFDB-ROUUACIJSA-N 1 1 345.468 2.797 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096107660 473300993 /nfs/dbraw/zinc/30/09/93/473300993.db2.gz ANCCNKHWGCSPNM-YOEHRIQHSA-N 1 1 331.441 2.659 40 0 EFABMO c1ccc(CC[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cc1 ZINC000096108785 473301795 /nfs/dbraw/zinc/30/17/95/473301795.db2.gz RMLPTAMRHLEQCM-NHCUHLMSSA-N 1 1 345.483 2.621 40 0 EFABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cs1 ZINC000096108764 473301983 /nfs/dbraw/zinc/30/19/83/473301983.db2.gz SCLQMTZDFVSYLZ-QZTJIDSGSA-N 1 1 337.485 2.640 40 0 EFABMO Cc1nc(COC[C@]23COC[C@H]2C[N@@H+](Cc2cccnc2)C3)cs1 ZINC000096108910 473302219 /nfs/dbraw/zinc/30/22/19/473302219.db2.gz NLWIRERWUAOVMW-AEFFLSMTSA-N 1 1 345.468 2.512 40 0 EFABMO CO[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096108603 473302839 /nfs/dbraw/zinc/30/28/39/473302839.db2.gz JVFLOTWOXFFLDZ-GVDBMIGSSA-N 1 1 346.452 2.703 40 0 EFABMO Cc1cc2nc(CO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3F)[nH]c2cc1C ZINC000096112345 473304669 /nfs/dbraw/zinc/30/46/69/473304669.db2.gz HQCKRQLPEDGKQI-QAPCUYQASA-N 1 1 347.434 2.898 40 0 biogenic,in-vitro EFABMO Cc1occc1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096161694 473320019 /nfs/dbraw/zinc/32/00/19/473320019.db2.gz IIOQZNRNRVJOOW-IYBDPMFKSA-N 1 1 328.387 2.931 40 0 EFABMO Cc1noc(C)c1CN1C[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096161687 473320175 /nfs/dbraw/zinc/32/01/75/473320175.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 1 1 329.419 2.994 40 0 EFABMO O=C(c1cscn1)N1CCC[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096158119 473317842 /nfs/dbraw/zinc/31/78/42/473317842.db2.gz IVBPQFASJMTRLC-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO Cc1cccc(N2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)[nH+]1 ZINC000096158152 473317962 /nfs/dbraw/zinc/31/79/62/473317962.db2.gz TVSZZCDJAYXAET-HXUWFJFHSA-N 1 1 336.439 2.918 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161687 473320182 /nfs/dbraw/zinc/32/01/82/473320182.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 1 1 329.419 2.994 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161687 473320190 /nfs/dbraw/zinc/32/01/90/473320190.db2.gz LRFJJCAOFAPBML-CALCHBBNSA-N 1 1 329.419 2.994 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC000096159510 473320287 /nfs/dbraw/zinc/32/02/87/473320287.db2.gz UHSKLEZLIZCBET-FQEVSTJZSA-N 1 1 337.423 2.719 40 0 EFABMO Fc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC000096158829 473318701 /nfs/dbraw/zinc/31/87/01/473318701.db2.gz XONNGJVTVSPBAV-UHFFFAOYSA-N 1 1 348.447 2.549 40 0 EFABMO Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3nccs3)CC[N@H+]2C1 ZINC000096183565 473324610 /nfs/dbraw/zinc/32/46/10/473324610.db2.gz IBTJBHDFKUGYLG-JKSUJKDBSA-N 1 1 347.459 2.758 40 0 EFABMO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccncc4)CC[N@H+]3C2)c1 ZINC000096183540 473324829 /nfs/dbraw/zinc/32/48/29/473324829.db2.gz GYGBZFITHINBCW-PKOBYXMFSA-N 1 1 327.403 2.558 40 0 EFABMO Cc1ccc(CN2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C)C2)s1 ZINC000096185670 473326047 /nfs/dbraw/zinc/32/60/47/473326047.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 1 1 330.501 2.848 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C)C2)s1 ZINC000096185670 473326083 /nfs/dbraw/zinc/32/60/83/473326083.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 1 1 330.501 2.848 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)N3C)C2)s1 ZINC000096185670 473326090 /nfs/dbraw/zinc/32/60/90/473326090.db2.gz IJKGATOSEBLPIP-RYRKJORJSA-N 1 1 330.501 2.848 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)n1 ZINC000096186155 473326483 /nfs/dbraw/zinc/32/64/83/473326483.db2.gz VYVIRBVCUZDQQS-ULQDDVLXSA-N 1 1 345.468 2.877 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccncc4)CC[C@@H]32)n1 ZINC000096186155 473326489 /nfs/dbraw/zinc/32/64/89/473326489.db2.gz VYVIRBVCUZDQQS-ULQDDVLXSA-N 1 1 345.468 2.877 40 0 EFABMO Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccc(Cl)c2)cn1 ZINC000096184613 473327460 /nfs/dbraw/zinc/32/74/60/473327460.db2.gz TZMZTFCMIFXZTJ-DLBZAZTESA-N 1 1 344.846 2.563 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccc(Cl)c2)cn1 ZINC000096184613 473327464 /nfs/dbraw/zinc/32/74/64/473327464.db2.gz TZMZTFCMIFXZTJ-DLBZAZTESA-N 1 1 344.846 2.563 40 0 EFABMO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)c(C)o1 ZINC000096184465 473327860 /nfs/dbraw/zinc/32/78/60/473327860.db2.gz ARBQDOCJTQBGOM-ZWKOTPCHSA-N 1 1 332.444 2.612 40 0 EFABMO Cc1nc(CO[C@H]2C[N@H+](Cc3ccccn3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187141 473328859 /nfs/dbraw/zinc/32/88/59/473328859.db2.gz YKTQJBZKBCPFRK-SQNIBIBYSA-N 1 1 345.468 2.795 40 0 EFABMO Cc1nc(CO[C@H]2C[N@@H+](Cc3ccccn3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187141 473328860 /nfs/dbraw/zinc/32/88/60/473328860.db2.gz YKTQJBZKBCPFRK-SQNIBIBYSA-N 1 1 345.468 2.795 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3nc(C(=O)N(C)C)sc3CC2)s1 ZINC000096187574 473328951 /nfs/dbraw/zinc/32/89/51/473328951.db2.gz BMAZZQMHPBMIQF-UHFFFAOYSA-N 1 1 335.498 2.816 40 0 EFABMO Fc1cccc(-c2ncnc3c2CC[N@@H+](C[C@@H]2CCOC2)CC3)c1 ZINC000096187657 473329109 /nfs/dbraw/zinc/32/91/09/473329109.db2.gz WORYOOSRFHNXBW-AWEZNQCLSA-N 1 1 327.403 2.720 40 0 EFABMO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(F)c2)O1)N1CCCCO1 ZINC000096186996 473329640 /nfs/dbraw/zinc/32/96/40/473329640.db2.gz FPADHCGGSGVQQM-KURKYZTESA-N 1 1 348.418 2.502 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@@H+](Cc1ccoc1)C2 ZINC000096189149 473331310 /nfs/dbraw/zinc/33/13/10/473331310.db2.gz CNMMEGTUBRVJRE-GOSISDBHSA-N 1 1 338.411 2.720 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@H+](Cc1ccoc1)C2 ZINC000096189149 473331314 /nfs/dbraw/zinc/33/13/14/473331314.db2.gz CNMMEGTUBRVJRE-GOSISDBHSA-N 1 1 338.411 2.720 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000096189177 473331394 /nfs/dbraw/zinc/33/13/94/473331394.db2.gz IKEIUPAEIHJTRV-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@H+](Cc1cccnc1)C2 ZINC000096189177 473331397 /nfs/dbraw/zinc/33/13/97/473331397.db2.gz IKEIUPAEIHJTRV-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO Cc1cccc(Cn2c(=O)ccc3c2CC[N@@H+](Cc2ccco2)CC3)n1 ZINC000096196727 473332216 /nfs/dbraw/zinc/33/22/16/473332216.db2.gz VJXBXQCCQFGASM-UHFFFAOYSA-N 1 1 349.434 2.794 40 0 EFABMO CN(Cc1ccco1)Cc1cnc2n1CC[N@H+](Cc1ccco1)CC2 ZINC000096197089 473332319 /nfs/dbraw/zinc/33/23/19/473332319.db2.gz OXALRNRBDHYANR-UHFFFAOYSA-N 1 1 340.427 2.759 40 0 EFABMO COc1ccc(C[N@H+]2Cc3cnn(C)c3[C@H](COCC3CC3)C2)cc1 ZINC000096198274 473334353 /nfs/dbraw/zinc/33/43/53/473334353.db2.gz ORPJGQIHJYFYCS-SFHVURJKSA-N 1 1 341.455 2.955 40 0 EFABMO COc1ccc(C[N@@H+]2Cc3cnn(C)c3[C@H](COCC3CC3)C2)cc1 ZINC000096198274 473334355 /nfs/dbraw/zinc/33/43/55/473334355.db2.gz ORPJGQIHJYFYCS-SFHVURJKSA-N 1 1 341.455 2.955 40 0 EFABMO c1cncc(C[N@H+]2CCN(Cc3ccncc3)c3ncccc3C2)c1 ZINC000096198970 473335693 /nfs/dbraw/zinc/33/56/93/473335693.db2.gz MRCLHUWLBXBICG-UHFFFAOYSA-N 1 1 331.423 2.894 40 0 EFABMO c1cncc(C[N@@H+]2CCN(Cc3ccncc3)c3ncccc3C2)c1 ZINC000096198970 473335698 /nfs/dbraw/zinc/33/56/98/473335698.db2.gz MRCLHUWLBXBICG-UHFFFAOYSA-N 1 1 331.423 2.894 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200478 473335979 /nfs/dbraw/zinc/33/59/79/473335979.db2.gz ZRXBVOQJQVRTPQ-IRXDYDNUSA-N 1 1 326.396 2.642 40 0 EFABMO Cc1ccc2c([nH+]1)N(Cc1ccncc1)CCN(C(=O)NC(C)C)C2 ZINC000096199104 473335995 /nfs/dbraw/zinc/33/59/95/473335995.db2.gz AYAIPKIKSDEKNS-UHFFFAOYSA-N 1 1 339.443 2.725 40 0 EFABMO Cc1ccc2c([nH+]1)N(CC1CC1)CCN(C(=O)c1cscn1)C2 ZINC000096199073 473336136 /nfs/dbraw/zinc/33/61/36/473336136.db2.gz MXYSVVZCJFGTJP-UHFFFAOYSA-N 1 1 328.441 2.719 40 0 EFABMO COCCO[C@H]1CC[N@H+](Cc2csc(C)n2)[C@H]1Cc1cccnc1 ZINC000096200510 473336371 /nfs/dbraw/zinc/33/63/71/473336371.db2.gz PBUQFEGIFXEYLK-ROUUACIJSA-N 1 1 347.484 2.695 40 0 EFABMO COCCO[C@H]1CC[N@@H+](Cc2csc(C)n2)[C@H]1Cc1cccnc1 ZINC000096200510 473336377 /nfs/dbraw/zinc/33/63/77/473336377.db2.gz PBUQFEGIFXEYLK-ROUUACIJSA-N 1 1 347.484 2.695 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202175 473336954 /nfs/dbraw/zinc/33/69/54/473336954.db2.gz JHQLOCGHGWXDBY-IBGZPJMESA-N 1 1 343.496 2.868 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccco2)C[C@@]12COCCN(Cc1nccs1)C2 ZINC000096202393 473337370 /nfs/dbraw/zinc/33/73/70/473337370.db2.gz JICZHWVGYATKAY-YJBOKZPZSA-N 1 1 347.484 2.707 40 0 EFABMO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202178 473337854 /nfs/dbraw/zinc/33/78/54/473337854.db2.gz WZIFMGPUUPMFOC-LJQANCHMSA-N 1 1 343.496 2.868 40 0 EFABMO Cc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@@H](N1CCCC1=O)CCO2 ZINC000096207532 473343083 /nfs/dbraw/zinc/34/30/83/473343083.db2.gz TYVMBSVWTGPQIL-AZUAARDMSA-N 1 1 328.456 2.741 40 0 EFABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCC1 ZINC000096206925 473343357 /nfs/dbraw/zinc/34/33/57/473343357.db2.gz XLIFRYPYZXPAGC-UYAOXDASSA-N 1 1 343.471 2.616 40 0 EFABMO O=S(=O)(c1ccccc1)N1CCC2(C[NH+](Cc3ccccc3)C2)C1 ZINC000096202411 473339217 /nfs/dbraw/zinc/33/92/17/473339217.db2.gz OQXCYNZLJPYRPC-UHFFFAOYSA-N 1 1 342.464 2.583 40 0 EFABMO c1cc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cc2c1OCO2 ZINC000096205993 473340155 /nfs/dbraw/zinc/34/01/55/473340155.db2.gz NPAGPIPSDCGTKB-LPHOPBHVSA-N 1 1 331.412 2.575 40 0 EFABMO C[N@H+]1[C@@H](COCC2CC2)CCC12CCN(Cc1ccncc1)CC2 ZINC000096206778 473340549 /nfs/dbraw/zinc/34/05/49/473340549.db2.gz CDTOBHZCEGTWOH-LJQANCHMSA-N 1 1 329.488 2.937 40 0 EFABMO CO[C@H]1CCN(C(=O)c2ccoc2C)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096207930 473341750 /nfs/dbraw/zinc/34/17/50/473341750.db2.gz MYKPPNYEQNVDRR-KSZLIROESA-N 1 1 344.411 2.543 40 0 EFABMO CCOc1cccc(C(=O)N2CCC3(C[C@@H](COC)[N@@H+](C)C3)CC2)c1 ZINC000096207543 473341922 /nfs/dbraw/zinc/34/19/22/473341922.db2.gz ZTYHUPZHMLUIGN-KRWDZBQOSA-N 1 1 346.471 2.658 40 0 EFABMO CN(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](Cc3cccs3)C2)O1 ZINC000096207658 473342461 /nfs/dbraw/zinc/34/24/61/473342461.db2.gz ITZGCKDUCNAKIO-WMLDXEAASA-N 1 1 337.489 2.533 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000096208299 473344528 /nfs/dbraw/zinc/34/45/28/473344528.db2.gz JXPLPCAMSYHLHR-INIZCTEOSA-N 1 1 334.435 2.707 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000096208298 473344788 /nfs/dbraw/zinc/34/47/88/473344788.db2.gz JXPLPCAMSYHLHR-MRXNPFEDSA-N 1 1 334.435 2.707 40 0 EFABMO C[N@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)Cc1ccco1)CC2 ZINC000096208684 473345169 /nfs/dbraw/zinc/34/51/69/473345169.db2.gz DSLYXOICOTWLJV-KRWDZBQOSA-N 1 1 346.471 2.704 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(C2)C[C@H](N2CCCC2=O)CCO3)c1 ZINC000096209231 473345474 /nfs/dbraw/zinc/34/54/74/473345474.db2.gz HFQMLLOUQDROFV-UYAOXDASSA-N 1 1 328.456 2.741 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]12)N1CCCC1 ZINC000096208960 473345856 /nfs/dbraw/zinc/34/58/56/473345856.db2.gz JLCQVYPFVARFEZ-VAMGGRTRSA-N 1 1 342.483 2.579 40 0 EFABMO c1coc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)c1 ZINC000096215467 473346329 /nfs/dbraw/zinc/34/63/29/473346329.db2.gz KVGGEYVLIAGEQY-BMFZPTHFSA-N 1 1 329.400 2.620 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000096216089 473346972 /nfs/dbraw/zinc/34/69/72/473346972.db2.gz MOMZTCMMMHOYJH-LJQANCHMSA-N 1 1 331.460 2.906 40 0 EFABMO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215750 473347044 /nfs/dbraw/zinc/34/70/44/473347044.db2.gz CVAWWBTXPJHINP-KRWDZBQOSA-N 1 1 331.441 2.864 40 0 EFABMO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215750 473347051 /nfs/dbraw/zinc/34/70/51/473347051.db2.gz CVAWWBTXPJHINP-KRWDZBQOSA-N 1 1 331.441 2.864 40 0 EFABMO O=C(N1CCCC1)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215857 473347369 /nfs/dbraw/zinc/34/73/69/473347369.db2.gz FKECFTXUVMYZIF-QGZVFWFLSA-N 1 1 334.489 2.647 40 0 EFABMO O=C(N1CCCC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215857 473347374 /nfs/dbraw/zinc/34/73/74/473347374.db2.gz FKECFTXUVMYZIF-QGZVFWFLSA-N 1 1 334.489 2.647 40 0 EFABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000096215781 473347610 /nfs/dbraw/zinc/34/76/10/473347610.db2.gz AHYAYXFPUGXVNK-RHSMWYFYSA-N 1 1 326.843 2.879 40 0 EFABMO Cc1ccc(N2CCC[C@@]3(CC[N@@H+](CC4CCOCC4)C3)C2)nn1 ZINC000096217116 473349611 /nfs/dbraw/zinc/34/96/11/473349611.db2.gz WGMRRHXNMOMXSP-IBGZPJMESA-N 1 1 330.476 2.504 40 0 EFABMO CN(C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216492 473349799 /nfs/dbraw/zinc/34/97/99/473349799.db2.gz NFVRGRDFZLZWDN-LJQANCHMSA-N 1 1 331.460 2.535 40 0 EFABMO O=C(C[C@H]1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12)Nc1cccnc1 ZINC000096216852 473350328 /nfs/dbraw/zinc/35/03/28/473350328.db2.gz ZIEWPJMHAIPWEB-USXIJHARSA-N 1 1 343.452 2.619 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000096217879 473348904 /nfs/dbraw/zinc/34/89/04/473348904.db2.gz OYOOIUMKNXRHOP-QFBILLFUSA-N 1 1 348.512 2.877 40 0 EFABMO COc1ccc(C[N@H+]2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)cc1 ZINC000096220250 473354092 /nfs/dbraw/zinc/35/40/92/473354092.db2.gz WCIFCUNQLJVTMB-NSISKUIASA-N 1 1 340.423 2.616 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096220602 473354543 /nfs/dbraw/zinc/35/45/43/473354543.db2.gz JPFPAFMVCXCLNA-ICSRJNTNSA-N 1 1 329.488 2.570 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2nccn2C)C3)c1 ZINC000096222738 473355201 /nfs/dbraw/zinc/35/52/01/473355201.db2.gz BPTSRPAJHQKFID-QUCCMNQESA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2nccn2C)C3)c1 ZINC000096222738 473355206 /nfs/dbraw/zinc/35/52/06/473355206.db2.gz BPTSRPAJHQKFID-QUCCMNQESA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2nccn2C)C3)c1 ZINC000096222735 473355272 /nfs/dbraw/zinc/35/52/72/473355272.db2.gz BPTSRPAJHQKFID-AZUAARDMSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2nccn2C)C3)c1 ZINC000096222735 473355277 /nfs/dbraw/zinc/35/52/77/473355277.db2.gz BPTSRPAJHQKFID-AZUAARDMSA-N 1 1 340.471 2.964 40 0 EFABMO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096224435 473356313 /nfs/dbraw/zinc/35/63/13/473356313.db2.gz FYHYAVAXNCNVID-LJQANCHMSA-N 1 1 325.412 2.689 40 0 EFABMO O=C(NCc1ccco1)C1=NO[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC000096225880 473356760 /nfs/dbraw/zinc/35/67/60/473356760.db2.gz YYEMJPZYRCQFFJ-LJQANCHMSA-N 1 1 345.443 2.697 40 0 EFABMO Cc1cccc(N2CCC3(CCC(=O)N3Cc3ccncc3)CC2)[nH+]1 ZINC000096228200 473359798 /nfs/dbraw/zinc/35/97/98/473359798.db2.gz ZPVXVOMRQYJINZ-UHFFFAOYSA-N 1 1 336.439 2.947 40 0 EFABMO COC[C@H]1CC2(CN1Cc1nccs1)CC[NH+](CC1CC1)CC2 ZINC000096240342 473361862 /nfs/dbraw/zinc/36/18/62/473361862.db2.gz XYCRGGPYCUCEGF-MRXNPFEDSA-N 1 1 335.517 2.856 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)cc1 ZINC000096243981 473361970 /nfs/dbraw/zinc/36/19/70/473361970.db2.gz HCTCRCGJIQWVLP-FQEVSTJZSA-N 1 1 338.455 2.525 40 0 EFABMO FC1(F)CC[N@H+](C2CCOCC2)C[C@@]12CCN(c1cccnc1)C2 ZINC000096239601 473362081 /nfs/dbraw/zinc/36/20/81/473362081.db2.gz CLNJPPVBOFYZRL-QGZVFWFLSA-N 1 1 337.414 2.798 40 0 EFABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2=O)cs1 ZINC000096245104 473362111 /nfs/dbraw/zinc/36/21/11/473362111.db2.gz CVBPTDBRBHFXDZ-WFASDCNBSA-N 1 1 333.482 2.603 40 0 EFABMO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(N(C)C)nc12 ZINC000096244005 473362272 /nfs/dbraw/zinc/36/22/72/473362272.db2.gz NLGZXLKGCMGWNV-FQEVSTJZSA-N 1 1 338.455 2.525 40 0 EFABMO Cc1nc(N(C)C)nc2c1COC[C@]21CC[N@@H+](Cc2ccccc2)C1 ZINC000096244394 473362293 /nfs/dbraw/zinc/36/22/93/473362293.db2.gz UVVWBBUNEFBCRW-HXUWFJFHSA-N 1 1 338.455 2.525 40 0 EFABMO O=C(Cc1cccs1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259302 473367917 /nfs/dbraw/zinc/36/79/17/473367917.db2.gz NERLEYLOHQVLDC-UHFFFAOYSA-N 1 1 344.484 2.515 40 0 EFABMO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](CC1CC1)CC2 ZINC000096260520 473367570 /nfs/dbraw/zinc/36/75/70/473367570.db2.gz BKFMENKMQNMSGT-UHFFFAOYSA-N 1 1 344.503 2.662 40 0 EFABMO Cc1cccc(CN2CCO[C@H]3C[N@@H+](CCc4ccccc4)C[C@H]32)n1 ZINC000096248841 473363446 /nfs/dbraw/zinc/36/34/46/473363446.db2.gz ZCEQTZJJNSPSJU-RTWAWAEBSA-N 1 1 337.467 2.518 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](CNC(=O)c4ccsc4)O[C@H]3C2)o1 ZINC000096251664 473363541 /nfs/dbraw/zinc/36/35/41/473363541.db2.gz WTSWCCSNYZRZCA-OIISXLGYSA-N 1 1 346.452 2.669 40 0 EFABMO Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)c1 ZINC000096246151 473364383 /nfs/dbraw/zinc/36/43/83/473364383.db2.gz OZXDVJKMFLKAHS-OTWHNJEPSA-N 1 1 328.456 2.568 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC000096246162 473364868 /nfs/dbraw/zinc/36/48/68/473364868.db2.gz QVVJUSPVDSFRIG-ZWKOTPCHSA-N 1 1 339.439 2.886 40 0 EFABMO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)cs1 ZINC000096246029 473365242 /nfs/dbraw/zinc/36/52/42/473365242.db2.gz PVTRAGQALVEXJR-IRXDYDNUSA-N 1 1 342.468 2.530 40 0 EFABMO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)cs1 ZINC000096246029 473365252 /nfs/dbraw/zinc/36/52/52/473365252.db2.gz PVTRAGQALVEXJR-IRXDYDNUSA-N 1 1 342.468 2.530 40 0 EFABMO CCc1ccc(C[N@H+]2CCc3ncnc(-c4cnn(C)c4)c3CC2)o1 ZINC000096255192 473366179 /nfs/dbraw/zinc/36/61/79/473366179.db2.gz IOZFUHIKVIMOKE-UHFFFAOYSA-N 1 1 337.427 2.633 40 0 EFABMO COc1ncccc1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255238 473366282 /nfs/dbraw/zinc/36/62/82/473366282.db2.gz FRNODGMCYMAYJD-UHFFFAOYSA-N 1 1 347.422 2.543 40 0 EFABMO Cn1cc(-c2ncnc3c2CC[N@@H+](Cc2ccc(F)cc2)CC3)cn1 ZINC000096255195 473366835 /nfs/dbraw/zinc/36/68/35/473366835.db2.gz GAFQQAGYOODWQH-UHFFFAOYSA-N 1 1 337.402 2.617 40 0 EFABMO O=C(c1cccs1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259287 473368256 /nfs/dbraw/zinc/36/82/56/473368256.db2.gz YXBGWGXJKJEODN-UHFFFAOYSA-N 1 1 330.457 2.587 40 0 EFABMO COc1ccc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1F ZINC000096404179 473381389 /nfs/dbraw/zinc/38/13/89/473381389.db2.gz QBYBMEIHVNAGEZ-DZGCQCFKSA-N 1 1 335.423 2.775 40 0 EFABMO CCC(=O)Nc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000096404169 473380424 /nfs/dbraw/zinc/38/04/24/473380424.db2.gz PUSJZIAQBJSMRJ-INIZCTEOSA-N 1 1 330.432 2.737 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CSC(C)(C)C ZINC000096407627 473385819 /nfs/dbraw/zinc/38/58/19/473385819.db2.gz AAFSRAINGCPTQI-HOCLYGCPSA-N 1 1 335.517 2.940 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)NCCc1c[nH]c2ccc(F)cc12 ZINC000096408759 473387090 /nfs/dbraw/zinc/38/70/90/473387090.db2.gz LFKMCUGLKFNVJW-UHFFFAOYSA-N 1 1 343.406 2.744 40 0 EFABMO CSCc1cccc(NC(=O)NC[C@H](c2cnn(C)c2)[NH+](C)C)c1 ZINC000096410653 473389278 /nfs/dbraw/zinc/38/92/78/473389278.db2.gz VXKKUGZECWLICB-MRXNPFEDSA-N 1 1 347.488 2.708 40 0 EFABMO Cc1cc(C)n2cc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)nc2n1 ZINC000096412980 473391420 /nfs/dbraw/zinc/39/14/20/473391420.db2.gz GLWCJUMSCNDUKL-UHFFFAOYSA-N 1 1 347.463 2.693 40 0 EFABMO C[NH+](C)[C@H](CNC(=O)COc1ccc2c(c1)CCC2)c1ccco1 ZINC000006588916 471552349 /nfs/dbraw/zinc/55/23/49/471552349.db2.gz HOZYYNGMPIMDPY-QGZVFWFLSA-N 1 1 328.412 2.566 40 0 EFABMO COC(=O)[C@@H]1C[C@@]23CCC[N@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@@H]43 ZINC000006896912 471577473 /nfs/dbraw/zinc/57/74/73/471577473.db2.gz CZLWGXKWXLVFJU-SBTGKJMVSA-N 1 1 338.451 2.786 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000007436761 471614266 /nfs/dbraw/zinc/61/42/66/471614266.db2.gz NAWGOABQFTUZPP-CYBMUJFWSA-N 1 1 345.395 2.582 40 0 EFABMO Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2-c2ccc(C)o2)on1 ZINC000012186002 471768207 /nfs/dbraw/zinc/76/82/07/471768207.db2.gz NZIOOCMWQVIONX-UHFFFAOYSA-N 1 1 339.399 2.760 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000012292071 471770267 /nfs/dbraw/zinc/77/02/67/471770267.db2.gz DWRRNDHXFIIYEN-QUCCMNQESA-N 1 1 327.424 2.712 40 0 EFABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000012292070 471771038 /nfs/dbraw/zinc/77/10/38/471771038.db2.gz DWRRNDHXFIIYEN-UYAOXDASSA-N 1 1 327.424 2.712 40 0 EFABMO COc1cc(OC)cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000013673433 471837649 /nfs/dbraw/zinc/83/76/49/471837649.db2.gz NOHYCXLNEVFIOY-GASCZTMLSA-N 1 1 334.460 2.802 40 0 EFABMO O=C(CSc1ccccc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014228477 471863113 /nfs/dbraw/zinc/86/31/13/471863113.db2.gz MZOVSMGNTWXKEF-UHFFFAOYSA-N 1 1 348.512 2.930 40 0 EFABMO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](CC2CCCCC2)C1 ZINC000015674490 471914483 /nfs/dbraw/zinc/91/44/83/471914483.db2.gz QBPSLLOTANDTFZ-CVEARBPZSA-N 1 1 328.416 2.820 40 0 biogenic,in-vitro EFABMO COC(=O)c1ccc2nc(NC(=O)C[NH+]3CCCCCC3)sc2c1 ZINC000016740497 471948535 /nfs/dbraw/zinc/94/85/35/471948535.db2.gz SOONTRKPWVMZRX-UHFFFAOYSA-N 1 1 347.440 2.897 40 0 EFABMO Cc1cccc(OC[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)c1C ZINC000016779365 471949418 /nfs/dbraw/zinc/94/94/18/471949418.db2.gz GJJXZNMFSGVZOB-IBGZPJMESA-N 1 1 329.440 2.538 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)cn1 ZINC000019688573 471982704 /nfs/dbraw/zinc/98/27/04/471982704.db2.gz SOKJNMKGGXHZOF-QGZVFWFLSA-N 1 1 336.443 2.595 40 0 EFABMO Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713234 471983922 /nfs/dbraw/zinc/98/39/22/471983922.db2.gz UDGCMHWCEMZJKE-JKSUJKDBSA-N 1 1 326.444 2.584 40 0 EFABMO CCN1CCc2cc(C[N@H+]3CC[C@@H](C(=O)NC4CCCC4)C3)ccc21 ZINC000019750379 471984131 /nfs/dbraw/zinc/98/41/31/471984131.db2.gz UZJRGPRKWHFMLL-GOSISDBHSA-N 1 1 341.499 2.950 40 0 EFABMO O=C(NC1CC1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000034684067 471990751 /nfs/dbraw/zinc/99/07/51/471990751.db2.gz UOGBKSVAYYTKMW-UHFFFAOYSA-N 1 1 349.478 2.897 40 0 EFABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COCCOc1ccc(F)cc1 ZINC000041690224 472079246 /nfs/dbraw/zinc/07/92/46/472079246.db2.gz LGEBOWPOLKLAJM-UXLLHSPISA-N 1 1 325.424 2.845 40 0 EFABMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccccc1F ZINC000025368722 472093437 /nfs/dbraw/zinc/09/34/37/472093437.db2.gz HJGYNJXFGSIDCR-INIZCTEOSA-N 1 1 347.386 2.564 40 0 EFABMO CCN1CC[NH+](C[C@@H](O)COc2ccc(C)cc2C(C)(C)C)CC1 ZINC000026781107 472147981 /nfs/dbraw/zinc/14/79/81/472147981.db2.gz IZINOHBVYPAOQF-QGZVFWFLSA-N 1 1 334.504 2.670 40 0 EFABMO CCOc1ccccc1OCCN1CCC[N@H+](C2CCOCC2)CC1 ZINC000075752406 472193881 /nfs/dbraw/zinc/19/38/81/472193881.db2.gz VXYPLTNHHRWKHK-UHFFFAOYSA-N 1 1 348.487 2.651 40 0 EFABMO COc1cccc([C@H](C)CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000084578495 472194706 /nfs/dbraw/zinc/19/47/06/472194706.db2.gz YZKYUJSSIZDCMI-APWZRJJASA-N 1 1 346.471 2.512 40 0 EFABMO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccs1 ZINC000028288319 472221103 /nfs/dbraw/zinc/22/11/03/472221103.db2.gz DRSALNZMLJJQED-CYBMUJFWSA-N 1 1 342.420 2.887 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000028295290 472221421 /nfs/dbraw/zinc/22/14/21/472221421.db2.gz UUJWJBPJLSKMCI-DLBZAZTESA-N 1 1 349.471 2.825 40 0 EFABMO Cc1[nH+]ccn1CC1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000085436368 472247956 /nfs/dbraw/zinc/24/79/56/472247956.db2.gz HMZWOPZGHKUBCM-UHFFFAOYSA-N 1 1 342.399 2.864 40 0 EFABMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000085468208 472251301 /nfs/dbraw/zinc/25/13/01/472251301.db2.gz DMLDHVYMILRXSZ-HNNXBMFYSA-N 1 1 349.906 2.828 40 0 EFABMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000085468136 472252313 /nfs/dbraw/zinc/25/23/13/472252313.db2.gz GVZSAKIGLXLHSH-KRWDZBQOSA-N 1 1 335.536 2.831 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 ZINC000044901060 472350907 /nfs/dbraw/zinc/35/09/07/472350907.db2.gz XZGCUQPOCGCVCN-UHFFFAOYSA-N 1 1 341.436 2.800 40 0 EFABMO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000044998260 472362749 /nfs/dbraw/zinc/36/27/49/472362749.db2.gz QLYPRJGEEQTYCK-MRXNPFEDSA-N 1 1 348.487 2.590 40 0 EFABMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1nccs1 ZINC000076952355 472432209 /nfs/dbraw/zinc/43/22/09/472432209.db2.gz DSVDIIPRDWHLBA-CQSZACIVSA-N 1 1 330.457 2.559 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1nccs1 ZINC000076952355 472432217 /nfs/dbraw/zinc/43/22/17/472432217.db2.gz DSVDIIPRDWHLBA-CQSZACIVSA-N 1 1 330.457 2.559 40 0 EFABMO O=C(Nc1ccc(Cl)c(F)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000097101160 472447739 /nfs/dbraw/zinc/44/77/39/472447739.db2.gz GGEIHVAGMQBHTC-LBPRGKRZSA-N 1 1 341.814 2.665 40 0 EFABMO Cc1[nH+]ccn1-c1cncc(NCc2ccccc2-n2ccnc2)n1 ZINC000097104667 472448410 /nfs/dbraw/zinc/44/84/10/472448410.db2.gz YTJXGFNMOUMBNA-UHFFFAOYSA-N 1 1 331.383 2.769 40 0 EFABMO C[C@@H](C[N@H+]1CCCN(CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103880 472448875 /nfs/dbraw/zinc/44/88/75/472448875.db2.gz ACHHXTRQFJWOEW-HNNXBMFYSA-N 1 1 337.895 2.539 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000032929491 472482783 /nfs/dbraw/zinc/48/27/83/472482783.db2.gz JCHHVVABLIMIRB-OAHLLOKOSA-N 1 1 332.469 2.850 40 0 EFABMO CC(C)[NH+]1CCC(N[C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000097238275 472486445 /nfs/dbraw/zinc/48/64/45/472486445.db2.gz RKDGXXAFGLHXLF-MAUKXSAKSA-N 1 1 335.517 2.872 40 0 EFABMO CC(C)N1CCC([NH2+][C@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000097238275 472486452 /nfs/dbraw/zinc/48/64/52/472486452.db2.gz RKDGXXAFGLHXLF-MAUKXSAKSA-N 1 1 335.517 2.872 40 0 EFABMO CC(C)c1cccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)n1 ZINC000097370639 472491810 /nfs/dbraw/zinc/49/18/10/472491810.db2.gz FPLFBBVHJGGJMD-CYBMUJFWSA-N 1 1 333.457 2.703 40 0 EFABMO COC(=O)[C@H](c1ccccc1F)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004182 472577950 /nfs/dbraw/zinc/57/79/50/472577950.db2.gz RPDBQORYDZWVDK-KSSFIOAISA-N 1 1 345.418 2.728 40 0 EFABMO COC(=O)[C@H](c1ccccc1F)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004183 472578989 /nfs/dbraw/zinc/57/89/89/472578989.db2.gz RPDBQORYDZWVDK-KDOFPFPSSA-N 1 1 345.418 2.728 40 0 EFABMO Cc1ncsc1CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000071897782 472607525 /nfs/dbraw/zinc/60/75/25/472607525.db2.gz HVZAPPGCEZYXIO-CQSZACIVSA-N 1 1 344.484 2.867 40 0 EFABMO Cc1ncsc1CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000071897782 472607530 /nfs/dbraw/zinc/60/75/30/472607530.db2.gz HVZAPPGCEZYXIO-CQSZACIVSA-N 1 1 344.484 2.867 40 0 EFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000072227698 472635072 /nfs/dbraw/zinc/63/50/72/472635072.db2.gz PIMJTRDBCKDLPU-JKSUJKDBSA-N 1 1 330.771 2.526 40 0 EFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000072227085 472635103 /nfs/dbraw/zinc/63/51/03/472635103.db2.gz NTSVLSVJOQNZKH-IRXDYDNUSA-N 1 1 346.814 2.768 40 0 EFABMO COc1cccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)c1 ZINC000072227735 472635213 /nfs/dbraw/zinc/63/52/13/472635213.db2.gz CQQJLMVZNQWKEK-GJZGRUSLSA-N 1 1 347.212 2.873 40 0 EFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N)cc2C)cc1 ZINC000072218509 472635248 /nfs/dbraw/zinc/63/52/48/472635248.db2.gz HNYROTYHFSZLHX-MRXNPFEDSA-N 1 1 331.441 2.806 40 0 EFABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000072228128 472636476 /nfs/dbraw/zinc/63/64/76/472636476.db2.gz NAWXXPUESKEHTB-HUUCEWRRSA-N 1 1 331.213 2.860 40 0 EFABMO Cn1cc(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000156217679 472678472 /nfs/dbraw/zinc/67/84/72/472678472.db2.gz NALKGIBYIXBWKL-GOSISDBHSA-N 1 1 327.432 2.596 40 0 EFABMO C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000091166121 472722246 /nfs/dbraw/zinc/72/22/46/472722246.db2.gz DJCWGFWVSBTFRZ-SFHVURJKSA-N 1 1 326.396 2.535 40 0 EFABMO C[N@H+]1CCO[C@H](C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000091166121 472722251 /nfs/dbraw/zinc/72/22/51/472722251.db2.gz DJCWGFWVSBTFRZ-SFHVURJKSA-N 1 1 326.396 2.535 40 0 EFABMO Cc1[nH+]ccn1CC1CCN(C(=O)COc2ccccc2C)CC1 ZINC000062017561 472727714 /nfs/dbraw/zinc/72/77/14/472727714.db2.gz PNDWVGHWDRUUCW-UHFFFAOYSA-N 1 1 327.428 2.818 40 0 EFABMO COc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000062090654 472728357 /nfs/dbraw/zinc/72/83/57/472728357.db2.gz PQZUVNNOQJWYRH-GOSISDBHSA-N 1 1 328.412 2.623 40 0 EFABMO CCc1[nH+]ccn1CC1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000062129812 472729849 /nfs/dbraw/zinc/72/98/49/472729849.db2.gz JCXRDNDXDPKXAS-UHFFFAOYSA-N 1 1 345.418 2.902 40 0 EFABMO O[C@@H](C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000091630549 472787407 /nfs/dbraw/zinc/78/74/07/472787407.db2.gz YPNQCGZQYMBYRB-YOEHRIQHSA-N 1 1 330.407 2.665 40 0 EFABMO C[N@@H+](CCCc1ccccc1)CC(=O)NC(=O)Nc1ccccc1 ZINC000048367520 472867500 /nfs/dbraw/zinc/86/75/00/472867500.db2.gz YGQHYKBMKRQCMZ-UHFFFAOYSA-N 1 1 325.412 2.899 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000107207621 472933888 /nfs/dbraw/zinc/93/38/88/472933888.db2.gz NJADOERGYDHRNC-RYRKJORJSA-N 1 1 345.468 2.795 40 0 EFABMO COc1ccccc1-c1nnc([C@H]2CC[N@H+](C3CCOCC3)C2)o1 ZINC000049170049 472933868 /nfs/dbraw/zinc/93/38/68/472933868.db2.gz YCWWVPRUQQNQRC-ZDUSSCGKSA-N 1 1 329.400 2.714 40 0 biogenic,in-vitro EFABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000107229004 472934541 /nfs/dbraw/zinc/93/45/41/472934541.db2.gz DBIIQEDIFLRMMA-UXHICEINSA-N 1 1 339.439 2.988 40 0 EFABMO Fc1cccnc1N[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000107228463 472935666 /nfs/dbraw/zinc/93/56/66/472935666.db2.gz GSSPPWWXHLZPLB-APWZRJJASA-N 1 1 342.418 2.851 40 0 EFABMO Fc1cccnc1N[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000107228456 472935770 /nfs/dbraw/zinc/93/57/70/472935770.db2.gz GSSPPWWXHLZPLB-VQIMIIECSA-N 1 1 342.418 2.851 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107730861 472978574 /nfs/dbraw/zinc/97/85/74/472978574.db2.gz IVEJELFOAQESEA-QAPCUYQASA-N 1 1 328.416 2.614 40 0 EFABMO c1cc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COc2ncccn2)cs1 ZINC000107747249 472979658 /nfs/dbraw/zinc/97/96/58/472979658.db2.gz MEMMVXVCBHUVHQ-XHSDSOJGSA-N 1 1 331.441 2.597 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COc2ncccn2)cs1 ZINC000107747249 472979660 /nfs/dbraw/zinc/97/96/60/472979660.db2.gz MEMMVXVCBHUVHQ-XHSDSOJGSA-N 1 1 331.441 2.597 40 0 EFABMO CN1CC[NH+](Cc2cccc(NCc3cn4ccccc4n3)c2)CC1 ZINC000080196277 472995041 /nfs/dbraw/zinc/99/50/41/472995041.db2.gz ZJYJUDIDPNSNRJ-UHFFFAOYSA-N 1 1 335.455 2.694 40 0 EFABMO COCCNC(=O)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000108528754 473035526 /nfs/dbraw/zinc/03/55/26/473035526.db2.gz HCMCOVBFOGMSKY-APWZRJJASA-N 1 1 334.435 2.581 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108526618 473035802 /nfs/dbraw/zinc/03/58/02/473035802.db2.gz YKCLXSDABQWLJA-YLJYHZDGSA-N 1 1 343.471 2.936 40 0 EFABMO COCCN1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3C)CC2)C1=O ZINC000108526372 473036307 /nfs/dbraw/zinc/03/63/07/473036307.db2.gz WZOJPPACCGVSIT-FQEVSTJZSA-N 1 1 348.462 2.985 40 0 EFABMO O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)c1ccoc1 ZINC000051420295 473047240 /nfs/dbraw/zinc/04/72/40/473047240.db2.gz DQASRIPUAMTYNC-UHFFFAOYSA-N 1 1 339.395 2.819 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000108973003 473071910 /nfs/dbraw/zinc/07/19/10/473071910.db2.gz MNZZOMKZJVSRPQ-KGLIPLIRSA-N 1 1 336.407 2.736 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000108973003 473071916 /nfs/dbraw/zinc/07/19/16/473071916.db2.gz MNZZOMKZJVSRPQ-KGLIPLIRSA-N 1 1 336.407 2.736 40 0 EFABMO O=C(N[C@H]1C[C@@H]1C1CCCCC1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000095405365 473198469 /nfs/dbraw/zinc/19/84/69/473198469.db2.gz DYDQLEBLACJIKA-MOPGFXCFSA-N 1 1 349.519 2.852 40 0 EFABMO COc1ccc([C@H]2C[C@H](C)[N@@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414888 473394238 /nfs/dbraw/zinc/39/42/38/473394238.db2.gz GBWPDXUUCNYZKI-RDJZCZTQSA-N 1 1 339.439 2.584 40 0 EFABMO OC1(CNc2cc[nH+]c3cc(Br)ccc23)CCOCC1 ZINC000096419425 473397885 /nfs/dbraw/zinc/39/78/85/473397885.db2.gz UFBUOJHYKJPJRJ-UHFFFAOYSA-N 1 1 337.217 2.951 40 0 EFABMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C)nn(C)c2C)C12CCCC2 ZINC000096419715 473398577 /nfs/dbraw/zinc/39/85/77/473398577.db2.gz PFWALTLLWHESNK-JKSUJKDBSA-N 1 1 348.491 2.645 40 0 EFABMO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1C ZINC000096421880 473400098 /nfs/dbraw/zinc/40/00/98/473400098.db2.gz SOOXHWNJAZNHBM-USXIJHARSA-N 1 1 329.444 2.952 40 0 EFABMO COc1cccc(CCC[NH+]2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000096424143 473402168 /nfs/dbraw/zinc/40/21/68/473402168.db2.gz XCQYMUJCTHDDHG-UHFFFAOYSA-N 1 1 328.412 2.679 40 0 EFABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCOC1 ZINC000096423835 473403126 /nfs/dbraw/zinc/40/31/26/473403126.db2.gz CLJJHANCPVSLAZ-GOSISDBHSA-N 1 1 342.439 2.954 40 0 EFABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCOC1 ZINC000096423835 473403129 /nfs/dbraw/zinc/40/31/29/473403129.db2.gz CLJJHANCPVSLAZ-GOSISDBHSA-N 1 1 342.439 2.954 40 0 EFABMO CC(C)CC(=O)Nc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000096426436 473404911 /nfs/dbraw/zinc/40/49/11/473404911.db2.gz ZJQNWCKUFJVASA-AWEZNQCLSA-N 1 1 335.423 2.634 40 0 EFABMO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccsc1 ZINC000096427141 473406337 /nfs/dbraw/zinc/40/63/37/473406337.db2.gz VSURNPTUQOYOFT-QGZVFWFLSA-N 1 1 330.453 2.655 40 0 EFABMO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccsc1 ZINC000096427141 473406340 /nfs/dbraw/zinc/40/63/40/473406340.db2.gz VSURNPTUQOYOFT-QGZVFWFLSA-N 1 1 330.453 2.655 40 0 EFABMO CCc1ocnc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1CC ZINC000096431768 473410741 /nfs/dbraw/zinc/41/07/41/473410741.db2.gz AYQDCDPIJRRPOE-MRXNPFEDSA-N 1 1 327.428 2.974 40 0 EFABMO CCc1ocnc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1CC ZINC000096431768 473410749 /nfs/dbraw/zinc/41/07/49/473410749.db2.gz AYQDCDPIJRRPOE-MRXNPFEDSA-N 1 1 327.428 2.974 40 0 EFABMO C[C@@H]1CCN(C(=O)CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000096433126 473411919 /nfs/dbraw/zinc/41/19/19/473411919.db2.gz RNBTYKOFADXXDY-QGZVFWFLSA-N 1 1 330.472 2.926 40 0 EFABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cn[nH]c1 ZINC000096435673 473415412 /nfs/dbraw/zinc/41/54/12/473415412.db2.gz XJMXNSGBNDSLKH-MRXNPFEDSA-N 1 1 327.432 2.786 40 0 EFABMO C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435888 473415761 /nfs/dbraw/zinc/41/57/61/473415761.db2.gz FALIYFLAPBQPSU-APWZRJJASA-N 1 1 339.439 2.550 40 0 EFABMO C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435888 473415766 /nfs/dbraw/zinc/41/57/66/473415766.db2.gz FALIYFLAPBQPSU-APWZRJJASA-N 1 1 339.439 2.550 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000096439217 473417725 /nfs/dbraw/zinc/41/77/25/473417725.db2.gz REVWFZSYORTXPG-GOSISDBHSA-N 1 1 326.444 2.856 40 0 EFABMO CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000096439888 473418473 /nfs/dbraw/zinc/41/84/73/473418473.db2.gz GYXGQRAMSJKWEF-OAHLLOKOSA-N 1 1 329.448 2.573 40 0 EFABMO COC(C)(C)C[C@H](C)NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000096440382 473418502 /nfs/dbraw/zinc/41/85/02/473418502.db2.gz LSQFHCZKMKLBFW-HNNXBMFYSA-N 1 1 348.491 2.862 40 0 EFABMO CSCC[C@@H](C)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000096440500 473418546 /nfs/dbraw/zinc/41/85/46/473418546.db2.gz WYGGACHRRKGJQM-CQSZACIVSA-N 1 1 336.505 2.800 40 0 EFABMO CCN1CC[NH+](CCC(=O)NC2CC(c3cccc(Cl)c3)C2)CC1 ZINC000096440926 473419360 /nfs/dbraw/zinc/41/93/60/473419360.db2.gz TUYDCYPUKGBINR-UHFFFAOYSA-N 1 1 349.906 2.730 40 0 EFABMO C[N@@H+](CC(=O)Nc1ccc(Br)cc1O)[C@H]1CCSC1 ZINC000096486451 473444740 /nfs/dbraw/zinc/44/47/40/473444740.db2.gz DVXUNRDBYVQYPC-JTQLQIEISA-N 1 1 345.262 2.531 40 0 EFABMO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000096455480 473430903 /nfs/dbraw/zinc/43/09/03/473430903.db2.gz OEGFVGWWLLLPIV-AWEZNQCLSA-N 1 1 335.473 2.566 40 0 EFABMO CC(C)S(=O)(=O)CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000096455480 473430910 /nfs/dbraw/zinc/43/09/10/473430910.db2.gz OEGFVGWWLLLPIV-AWEZNQCLSA-N 1 1 335.473 2.566 40 0 EFABMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000096461937 473434312 /nfs/dbraw/zinc/43/43/12/473434312.db2.gz DAXGSWATMUXOHS-KDOFPFPSSA-N 1 1 336.863 2.972 40 0 EFABMO C[N@H+](CC(=O)Nc1ccc(Br)cc1O)[C@H]1CCSC1 ZINC000096486451 473444736 /nfs/dbraw/zinc/44/47/36/473444736.db2.gz DVXUNRDBYVQYPC-JTQLQIEISA-N 1 1 345.262 2.531 40 0 EFABMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(-c3cccnc3)s2)C1 ZINC000096489775 473445811 /nfs/dbraw/zinc/44/58/11/473445811.db2.gz HSFNFFMEVPEHIF-AWEZNQCLSA-N 1 1 346.456 2.916 40 0 EFABMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(-c3cccnc3)s2)C1 ZINC000096489775 473445816 /nfs/dbraw/zinc/44/58/16/473445816.db2.gz HSFNFFMEVPEHIF-AWEZNQCLSA-N 1 1 346.456 2.916 40 0 EFABMO CC[N@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000096489459 473446527 /nfs/dbraw/zinc/44/65/27/473446527.db2.gz UPJPURLQJWTPRD-SFHVURJKSA-N 1 1 330.453 2.758 40 0 EFABMO CC[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000096489459 473446532 /nfs/dbraw/zinc/44/65/32/473446532.db2.gz UPJPURLQJWTPRD-SFHVURJKSA-N 1 1 330.453 2.758 40 0 EFABMO O=C([C@H]1CCC[N@@H+](Cc2coc3ccccc23)C1)N1CCOCC1 ZINC000096489561 473446622 /nfs/dbraw/zinc/44/66/22/473446622.db2.gz DFIFRVXFIOXWPL-HNNXBMFYSA-N 1 1 328.412 2.504 40 0 EFABMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499587 473451357 /nfs/dbraw/zinc/45/13/57/473451357.db2.gz AIVDXXROGHJLOH-WMZOPIPTSA-N 1 1 348.397 2.571 40 0 EFABMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499587 473451360 /nfs/dbraw/zinc/45/13/60/473451360.db2.gz AIVDXXROGHJLOH-WMZOPIPTSA-N 1 1 348.397 2.571 40 0 EFABMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000096499770 473451441 /nfs/dbraw/zinc/45/14/41/473451441.db2.gz KJZIICMAGKMOKZ-LZLYRXPVSA-N 1 1 343.471 2.678 40 0 EFABMO COc1ccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)c(OC)c1 ZINC000096501825 473454262 /nfs/dbraw/zinc/45/42/62/473454262.db2.gz UREQAMQDCNNYBR-LLVKDONJSA-N 1 1 326.356 2.680 40 0 EFABMO COC[C@H](O)C[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000126504713 473522157 /nfs/dbraw/zinc/52/21/57/473522157.db2.gz UJFPOXGMMZKHLS-OCCSQVGLSA-N 1 1 344.249 2.602 40 0 EFABMO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1F ZINC000126676099 473536511 /nfs/dbraw/zinc/53/65/11/473536511.db2.gz GKFOQBYFEZDCGA-SECBINFHSA-N 1 1 338.242 2.674 40 0 EFABMO CCc1ncc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cn1 ZINC000127336133 473600730 /nfs/dbraw/zinc/60/07/30/473600730.db2.gz YLZNLOPQPBMRNC-UHFFFAOYSA-N 1 1 345.472 2.655 40 0 EFABMO Fc1cccnc1N1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000127653076 473637575 /nfs/dbraw/zinc/63/75/75/473637575.db2.gz BEUMSVYVPZQWGF-DOTOQJQBSA-N 1 1 337.402 2.902 40 0 EFABMO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000192615380 473696966 /nfs/dbraw/zinc/69/69/66/473696966.db2.gz QLOGYUWZTZYOHR-GOEBONIOSA-N 1 1 335.448 2.602 40 0 EFABMO O=C1[C@H]([NH2+][C@H](CCO)c2ccco2)CCCN1c1ccccc1F ZINC000192788113 473725701 /nfs/dbraw/zinc/72/57/01/473725701.db2.gz BNMQCYKVKFCWQO-HUUCEWRRSA-N 1 1 332.375 2.627 40 0 EFABMO Cc1cc([C@H](C)NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(C)s1 ZINC000245860026 473752580 /nfs/dbraw/zinc/75/25/80/473752580.db2.gz IFHOXYBHQNZMTC-DYEKYZERSA-N 1 1 339.505 2.522 40 0 EFABMO O=C(NC[C@@H](O)c1ccsc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000195535528 474090414 /nfs/dbraw/zinc/09/04/14/474090414.db2.gz WPGRGNZQFFGDCS-DLBZAZTESA-N 1 1 348.443 2.701 40 0 EFABMO O=C(NC[C@@H](O)c1ccsc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000195535528 474090420 /nfs/dbraw/zinc/09/04/20/474090420.db2.gz WPGRGNZQFFGDCS-DLBZAZTESA-N 1 1 348.443 2.701 40 0 EFABMO Cc1ccc(C)c([C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000195531471 474090451 /nfs/dbraw/zinc/09/04/51/474090451.db2.gz JULYSHLLHHODDO-IEBWSBKVSA-N 1 1 330.472 2.671 40 0 EFABMO COc1ccc(C2(CNC(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000195539953 474091370 /nfs/dbraw/zinc/09/13/70/474091370.db2.gz CFXVUTXQYGJIPI-SJORKVTESA-N 1 1 343.471 2.605 40 0 EFABMO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000195554505 474094925 /nfs/dbraw/zinc/09/49/25/474094925.db2.gz JSPOWVULJIRHAV-SJORKVTESA-N 1 1 331.460 2.629 40 0 EFABMO COC1CCC([NH2+][C@@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000195560447 474095643 /nfs/dbraw/zinc/09/56/43/474095643.db2.gz QQLDRFKPOZDKAC-MHJFOBGBSA-N 1 1 331.504 2.522 40 0 EFABMO CCC[N@H+]1CCC[C@@H]1c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000195569955 474097461 /nfs/dbraw/zinc/09/74/61/474097461.db2.gz AGNBXKGMVCNJNB-CQSZACIVSA-N 1 1 326.404 2.943 40 0 EFABMO COc1ccc(CCC[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1F ZINC000195573083 474099303 /nfs/dbraw/zinc/09/93/03/474099303.db2.gz ZDILYBXXQLEIEZ-IBGZPJMESA-N 1 1 347.434 2.748 40 0 EFABMO COc1ccc(CCC[N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1F ZINC000195573083 474099310 /nfs/dbraw/zinc/09/93/10/474099310.db2.gz ZDILYBXXQLEIEZ-IBGZPJMESA-N 1 1 347.434 2.748 40 0 EFABMO COC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218481093 474145587 /nfs/dbraw/zinc/14/55/87/474145587.db2.gz KGAPFJODYSNZGE-FHWLQOOXSA-N 1 1 345.464 2.587 40 0 EFABMO O=C(NCCc1cccs1)[C@@H]1C[N@@H+](C2CCCC2)Cc2ccnn21 ZINC000247480117 474159189 /nfs/dbraw/zinc/15/91/89/474159189.db2.gz IOBSOVULNPPQRT-KRWDZBQOSA-N 1 1 344.484 2.603 40 0 EFABMO O=C(NCCc1cccs1)[C@@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000247480117 474159192 /nfs/dbraw/zinc/15/91/92/474159192.db2.gz IOBSOVULNPPQRT-KRWDZBQOSA-N 1 1 344.484 2.603 40 0 EFABMO O=C(NCc1nnc(C2CC2)o1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000188687679 474166323 /nfs/dbraw/zinc/16/63/23/474166323.db2.gz RGEHVGWBAAYISF-INIZCTEOSA-N 1 1 340.427 2.618 40 0 EFABMO O=C(NCc1nnc(C2CC2)o1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000188687679 474166334 /nfs/dbraw/zinc/16/63/34/474166334.db2.gz RGEHVGWBAAYISF-INIZCTEOSA-N 1 1 340.427 2.618 40 0 EFABMO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CC[NH+](CC)CC1 ZINC000222806878 474174004 /nfs/dbraw/zinc/17/40/04/474174004.db2.gz UTUNGMQFCNKFKT-IBGZPJMESA-N 1 1 330.472 2.887 40 0 EFABMO C[NH+]1CCN(c2ncc(NC(=O)c3ccc4ccccc4c3)cn2)CC1 ZINC000224253001 474196859 /nfs/dbraw/zinc/19/68/59/474196859.db2.gz HKJWNZNTTWSJOD-UHFFFAOYSA-N 1 1 347.422 2.634 40 0 EFABMO CCCOc1cccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282802051 474200274 /nfs/dbraw/zinc/20/02/74/474200274.db2.gz SWYYDSFFVNPHFY-UHFFFAOYSA-N 1 1 348.491 2.623 40 0 EFABMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccco1 ZINC000275483735 474203499 /nfs/dbraw/zinc/20/34/99/474203499.db2.gz OATGHKWLXVUWDB-HOCLYGCPSA-N 1 1 332.425 2.585 40 0 EFABMO COCCO[C@@H]1CC[N@@H+](Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000247826292 474214184 /nfs/dbraw/zinc/21/41/84/474214184.db2.gz FZFZHVFIHFJOAS-ZWKOTPCHSA-N 1 1 332.469 2.992 40 0 EFABMO c1ccc(CO[C@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000247833995 474214868 /nfs/dbraw/zinc/21/48/68/474214868.db2.gz MSBZWSHTPRZHOE-QGZVFWFLSA-N 1 1 327.453 2.753 40 0 EFABMO Cc1cccc(C[N@@H+]2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@H]32)n1 ZINC000247856360 474216779 /nfs/dbraw/zinc/21/67/79/474216779.db2.gz CTHCQHOETHRXHR-NSISKUIASA-N 1 1 338.455 2.877 40 0 EFABMO Cc1cccc(C[N@H+]2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@H]32)n1 ZINC000247856360 474216786 /nfs/dbraw/zinc/21/67/86/474216786.db2.gz CTHCQHOETHRXHR-NSISKUIASA-N 1 1 338.455 2.877 40 0 EFABMO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNc2cccnc2)n1 ZINC000247856364 474217323 /nfs/dbraw/zinc/21/73/23/474217323.db2.gz CTHCQHOETHRXHR-PWIZWCRZSA-N 1 1 338.455 2.877 40 0 EFABMO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNc2cccnc2)n1 ZINC000247856364 474217332 /nfs/dbraw/zinc/21/73/32/474217332.db2.gz CTHCQHOETHRXHR-PWIZWCRZSA-N 1 1 338.455 2.877 40 0 EFABMO CN1c2cccnc2C[N@@H+](Cc2ccccc2Cl)CC[C@H]1CO ZINC000225495739 474217776 /nfs/dbraw/zinc/21/77/76/474217776.db2.gz IRPOJGCGHZXWEE-HNNXBMFYSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CN1c2cccnc2C[N@H+](Cc2ccccc2Cl)CC[C@H]1CO ZINC000225495739 474217782 /nfs/dbraw/zinc/21/77/82/474217782.db2.gz IRPOJGCGHZXWEE-HNNXBMFYSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO Cc1cccc(COC[C@@H]2C[N@@H+](CC3CCC3)Cc3ccnn32)n1 ZINC000247867378 474218426 /nfs/dbraw/zinc/21/84/26/474218426.db2.gz JSAGUWRDUNUIDZ-IBGZPJMESA-N 1 1 326.444 2.960 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)nc1 ZINC000247879492 474220138 /nfs/dbraw/zinc/22/01/38/474220138.db2.gz PLZZMIGDWZRXFH-MISYRCLQSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)nc1 ZINC000247879492 474220144 /nfs/dbraw/zinc/22/01/44/474220144.db2.gz PLZZMIGDWZRXFH-MISYRCLQSA-N 1 1 339.439 2.673 40 0 EFABMO C[C@@H](c1ccccn1)[NH+]1CCN(c2nc3c(cccc3F)n2C)CC1 ZINC000225574219 474226561 /nfs/dbraw/zinc/22/65/61/474226561.db2.gz OZASNHGPLUESJJ-AWEZNQCLSA-N 1 1 339.418 2.991 40 0 EFABMO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)no1 ZINC000247926064 474227121 /nfs/dbraw/zinc/22/71/21/474227121.db2.gz PMKBKFMWSLJBHL-MOPGFXCFSA-N 1 1 343.427 2.828 40 0 EFABMO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)no1 ZINC000247926064 474227131 /nfs/dbraw/zinc/22/71/31/474227131.db2.gz PMKBKFMWSLJBHL-MOPGFXCFSA-N 1 1 343.427 2.828 40 0 EFABMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1nnc(-c2ccccn2)s1 ZINC000225596984 474228266 /nfs/dbraw/zinc/22/82/66/474228266.db2.gz OGLCMXIPMLOJQO-ZDUSSCGKSA-N 1 1 326.429 2.774 40 0 EFABMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2nc(C)cnc2C)C1 ZINC000225603452 474229559 /nfs/dbraw/zinc/22/95/59/474229559.db2.gz SRISPMLQGMOWBZ-HNNXBMFYSA-N 1 1 331.489 2.817 40 0 EFABMO Nc1cc(C[NH+]2CCN(c3cccc(OC(F)F)c3)CC2)ccn1 ZINC000225616742 474231274 /nfs/dbraw/zinc/23/12/74/474231274.db2.gz GWZBEPMJDBIWSH-UHFFFAOYSA-N 1 1 334.370 2.587 40 0 EFABMO COc1cccc2c(N3CC[N@H+](C4CCOCC4)C[C@H]3C)ccnc12 ZINC000225644597 474232535 /nfs/dbraw/zinc/23/25/35/474232535.db2.gz BVCXKMRVYNXTSL-OAHLLOKOSA-N 1 1 341.455 2.933 40 0 EFABMO Cc1nc(CO[C@H]2Cn3nccc3C[N@H+](C3CCCC3)C2)cs1 ZINC000248033872 474248556 /nfs/dbraw/zinc/24/85/56/474248556.db2.gz MOHVSRRXCYWAKT-QGZVFWFLSA-N 1 1 332.473 2.992 40 0 EFABMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000248080119 474257178 /nfs/dbraw/zinc/25/71/78/474257178.db2.gz AIJAPGWTKHTUHH-HNNXBMFYSA-N 1 1 334.435 2.565 40 0 EFABMO c1nc2n(n1)CCC[C@H]2N[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230463196 474261052 /nfs/dbraw/zinc/26/10/52/474261052.db2.gz FLESUZALCHSUTR-ZSYWTGECSA-N 1 1 337.471 2.613 40 0 EFABMO COc1ccc(C2(NC(=O)[C@H](C)C[NH+]3CCOCC3)CCCC2)cc1 ZINC000270907646 474316279 /nfs/dbraw/zinc/31/62/79/474316279.db2.gz GULCRSDIRBJMFD-MRXNPFEDSA-N 1 1 346.471 2.549 40 0 EFABMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[C@H]2C1 ZINC000248711252 474410510 /nfs/dbraw/zinc/41/05/10/474410510.db2.gz COWPMABXBYXKIK-FHWLQOOXSA-N 1 1 327.472 2.950 40 0 EFABMO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176281415 474429874 /nfs/dbraw/zinc/42/98/74/474429874.db2.gz IJJYOVOROGMEQO-LRDDRELGSA-N 1 1 345.447 2.602 40 0 EFABMO C[C@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000249289767 474552429 /nfs/dbraw/zinc/55/24/29/474552429.db2.gz VFGWUMDRYMDIQI-QWFCFKBJSA-N 1 1 345.487 2.644 40 0 EFABMO NCC[N@@H+](C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242614895 474561143 /nfs/dbraw/zinc/56/11/43/474561143.db2.gz PLGLNKBBQXNZGL-QAQDUYKDSA-N 1 1 331.460 2.647 40 0 EFABMO [NH3+]CCN(C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242614895 474561149 /nfs/dbraw/zinc/56/11/49/474561149.db2.gz PLGLNKBBQXNZGL-QAQDUYKDSA-N 1 1 331.460 2.647 40 0 EFABMO COc1ccc(CCNC(=S)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000245224823 474571766 /nfs/dbraw/zinc/57/17/66/474571766.db2.gz FWSQFPQSUBOLNV-HZPDHXFCSA-N 1 1 349.544 2.965 40 0 EFABMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000245344191 474574915 /nfs/dbraw/zinc/57/49/15/474574915.db2.gz XZYATIYBAAKDJK-LSDHHAIUSA-N 1 1 344.377 2.514 40 0 EFABMO C[C@@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272996424 474661243 /nfs/dbraw/zinc/66/12/43/474661243.db2.gz QRYKBHSRFDPKCB-OAHLLOKOSA-N 1 1 344.455 2.625 40 0 EFABMO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1c(C)nn(C)c1C ZINC000252488492 474675577 /nfs/dbraw/zinc/67/55/77/474675577.db2.gz ITCFEBISMOOIJO-NSHDSACASA-N 1 1 333.432 2.914 40 0 EFABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000252514121 474690737 /nfs/dbraw/zinc/69/07/37/474690737.db2.gz BHXZWXOURZWQRN-QRVBRYPASA-N 1 1 345.464 2.669 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(CCO)cc1 ZINC000252584917 474697783 /nfs/dbraw/zinc/69/77/83/474697783.db2.gz DTYQXVLCKIQUCK-OXJNMPFZSA-N 1 1 325.456 2.939 40 0 EFABMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H](O)C(F)(F)F ZINC000252585081 474699721 /nfs/dbraw/zinc/69/97/21/474699721.db2.gz FXWDRVDOODGFDE-CLWVCHIJSA-N 1 1 330.394 2.656 40 0 EFABMO CCN1CC[C@H](NC2CC[NH+](C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370729 474727705 /nfs/dbraw/zinc/72/77/05/474727705.db2.gz VGCPTLVXNDXEMQ-FUHWJXTLSA-N 1 1 341.421 2.923 40 0 EFABMO c1snnc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000253370136 474727771 /nfs/dbraw/zinc/72/77/71/474727771.db2.gz MOODXJKMMJJRAQ-CGTJXYLNSA-N 1 1 328.485 2.928 40 0 EFABMO C[N@H+]1CCCN(C(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)CC1 ZINC000253419239 474747961 /nfs/dbraw/zinc/74/79/61/474747961.db2.gz KXZXPGCOJUPTGT-HNNXBMFYSA-N 1 1 343.393 2.897 40 0 EFABMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000253428498 474754919 /nfs/dbraw/zinc/75/49/19/474754919.db2.gz LDPQJFGTOAESDK-DYVFJYSZSA-N 1 1 334.441 2.747 40 0 EFABMO c1cc2n(n1)C[C@@H](OCC1CCCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253478345 474761268 /nfs/dbraw/zinc/76/12/68/474761268.db2.gz KMNYWFOVSMRGAP-IBGZPJMESA-N 1 1 333.476 2.701 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](CC2CC2)C2(CN(C(=O)c3occc3C)C2)C1 ZINC000306128594 474806232 /nfs/dbraw/zinc/80/62/32/474806232.db2.gz HFSILBHQIPNYLY-QGZVFWFLSA-N 1 1 346.471 2.941 40 0 EFABMO C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@H+]2CC1CC1 ZINC000306128518 474807483 /nfs/dbraw/zinc/80/74/83/474807483.db2.gz HCWSWOIDALXQKT-MNEFBYGVSA-N 1 1 346.515 2.772 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2N1CC1CC1 ZINC000306123873 474807911 /nfs/dbraw/zinc/80/79/11/474807911.db2.gz AZGIQLPHIQRAHG-RTBURBONSA-N 1 1 339.414 2.919 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1CC1CC1 ZINC000306127709 474807998 /nfs/dbraw/zinc/80/79/98/474807998.db2.gz GFGOEDLLSCGTQG-SJORKVTESA-N 1 1 327.453 2.841 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]2N1Cc1ccccn1 ZINC000306131443 474808864 /nfs/dbraw/zinc/80/88/64/474808864.db2.gz KELMZXSFABIMMJ-RTBURBONSA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]2N1Cc1ccccn1 ZINC000306131443 474808873 /nfs/dbraw/zinc/80/88/73/474808873.db2.gz KELMZXSFABIMMJ-RTBURBONSA-N 1 1 348.406 2.558 40 0 EFABMO c1cc(N2CCCC2)cn2nc([C@@H]3CCC[N@H+](CC4CC4)C3)nc12 ZINC000306133088 474809799 /nfs/dbraw/zinc/80/97/99/474809799.db2.gz MBKOFMLBRMRHPG-MRXNPFEDSA-N 1 1 325.460 2.919 40 0 EFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](CC4CC4)C[C@H]32)cs1 ZINC000306132908 474810117 /nfs/dbraw/zinc/81/01/17/474810117.db2.gz LVWYOHUSXZWGLP-IAGOWNOFSA-N 1 1 342.468 2.544 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137197 474810295 /nfs/dbraw/zinc/81/02/95/474810295.db2.gz QOLSYEQQKSEEJX-FUHWJXTLSA-N 1 1 349.425 2.860 40 0 EFABMO Cc1ccc(C)c(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)CC4CC4)[C@H]3C2)c1 ZINC000306135114 474810544 /nfs/dbraw/zinc/81/05/44/474810544.db2.gz OIGIICYRKHRWGT-VAMGGRTRSA-N 1 1 342.483 2.667 40 0 EFABMO CCC[N@H+]1CCC[C@H](c2ccnc3c(C(=O)NCC(C)C)cnn32)C1 ZINC000306132585 474810715 /nfs/dbraw/zinc/81/07/15/474810715.db2.gz LMYPFOFTKAHFPP-HNNXBMFYSA-N 1 1 343.475 2.705 40 0 EFABMO Cc1cnc(N2CC[C@H](F)[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)nc1 ZINC000306143171 474810976 /nfs/dbraw/zinc/81/09/76/474810976.db2.gz XUYSOBWSOWHXHL-FUHWJXTLSA-N 1 1 330.407 2.819 40 0 EFABMO Cc1cc(NC2CC3(C2)CC[N@@H+](Cc2ncccc2F)C3)ncn1 ZINC000257280411 474930623 /nfs/dbraw/zinc/93/06/23/474930623.db2.gz OKSQWYRXHJQISI-UHFFFAOYSA-N 1 1 327.407 2.786 40 0 EFABMO O=C(N1CCCC1)[C@@]1(c2cnccn2)CCC[N@H+]1C1CCCCC1 ZINC000257288940 474934753 /nfs/dbraw/zinc/93/47/53/474934753.db2.gz PWIPBROEAAUGQQ-IBGZPJMESA-N 1 1 328.460 2.723 40 0 EFABMO COc1ccccc1[C@@H]1CN(Cc2nccn2C(C)C)CC[N@@H+]1C ZINC000257287798 474934933 /nfs/dbraw/zinc/93/49/33/474934933.db2.gz PROAGTJBQPKWMX-KRWDZBQOSA-N 1 1 328.460 2.961 40 0 EFABMO COc1ccccc1[C@@H]1CN(Cc2nccn2C(C)C)CC[N@H+]1C ZINC000257287798 474934942 /nfs/dbraw/zinc/93/49/42/474934942.db2.gz PROAGTJBQPKWMX-KRWDZBQOSA-N 1 1 328.460 2.961 40 0 EFABMO Cc1nc(C[N@@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)cs1 ZINC000257298023 474939016 /nfs/dbraw/zinc/93/90/16/474939016.db2.gz RJUJWRGZDUJOGA-IRXDYDNUSA-N 1 1 336.432 2.995 40 0 EFABMO Cc1nc(C[N@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)cs1 ZINC000257298023 474939024 /nfs/dbraw/zinc/93/90/24/474939024.db2.gz RJUJWRGZDUJOGA-IRXDYDNUSA-N 1 1 336.432 2.995 40 0 EFABMO Cc1cnn(C)c1C[NH+]1CC2(C1)CO[C@@H](Cc1ccc(F)cc1)C2 ZINC000257300443 474941042 /nfs/dbraw/zinc/94/10/42/474941042.db2.gz RUHIHPXFECCOQY-KRWDZBQOSA-N 1 1 329.419 2.701 40 0 EFABMO CNC(=O)c1sc2nc([C@@H]3CCC[N@H+]3CC3CC3)ccc2c1N ZINC000257306065 474942156 /nfs/dbraw/zinc/94/21/56/474942156.db2.gz SSTOLYULGADIAH-ZDUSSCGKSA-N 1 1 330.457 2.785 40 0 EFABMO Cn1cc(C[N@H+]2CCOC[C@H](Cc3cccc4occc43)C2)cn1 ZINC000257307844 474945401 /nfs/dbraw/zinc/94/54/01/474945401.db2.gz TUJGQOGTIXCVSK-OAHLLOKOSA-N 1 1 325.412 2.857 40 0 EFABMO c1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257309795 474947276 /nfs/dbraw/zinc/94/72/76/474947276.db2.gz UCKPVARWGGIYBU-GFCCVEGCSA-N 1 1 326.429 2.703 40 0 EFABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[NH2+]2)nc1C ZINC000257315046 474949966 /nfs/dbraw/zinc/94/99/66/474949966.db2.gz UZRQPQXGKBRKPG-OAHLLOKOSA-N 1 1 326.400 2.861 40 0 EFABMO Cc1cc(N(C)C)cc([C@H]2CN(Cc3ncccc3C)CCO2)[nH+]1 ZINC000257322739 474953004 /nfs/dbraw/zinc/95/30/04/474953004.db2.gz WHEOADQWXCHLHX-LJQANCHMSA-N 1 1 326.444 2.733 40 0 EFABMO CN(C)c1cc(CC[C@H]2CN(C(=O)c3cccs3)CCO2)cc[nH+]1 ZINC000257322364 474953349 /nfs/dbraw/zinc/95/33/49/474953349.db2.gz WFSCSHFUUMSBTJ-HNNXBMFYSA-N 1 1 345.468 2.683 40 0 EFABMO Cc1cc(N)cc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)[nH+]1 ZINC000257323548 474953426 /nfs/dbraw/zinc/95/34/26/474953426.db2.gz WKUZFSSSPTYREO-IBGZPJMESA-N 1 1 349.438 2.936 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257326800 474954674 /nfs/dbraw/zinc/95/46/74/474954674.db2.gz WYPVDPOTVJYVCE-MRXNPFEDSA-N 1 1 334.427 2.950 40 0 EFABMO NC(=O)c1cc(C[C@H]2CCC[N@@H+](Cc3ccccc3F)CC2)ncn1 ZINC000257324132 474954870 /nfs/dbraw/zinc/95/48/70/474954870.db2.gz WNHNVONYVNMAQN-AWEZNQCLSA-N 1 1 342.418 2.559 40 0 EFABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2scnc2C)ccn1 ZINC000257325116 474954998 /nfs/dbraw/zinc/95/49/98/474954998.db2.gz WRNOVQJEZNOBTL-INIZCTEOSA-N 1 1 330.457 2.820 40 0 EFABMO COc1ccccc1[C@H]1C[N@@H+](CC2(O)CCCCC2)CCN1C(C)=O ZINC000257324209 474955070 /nfs/dbraw/zinc/95/50/70/474955070.db2.gz WNRRLMHFPFJOGI-GOSISDBHSA-N 1 1 346.471 2.596 40 0 EFABMO COc1ncccc1C(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257324398 474955617 /nfs/dbraw/zinc/95/56/17/474955617.db2.gz WOMWMFNACZFHOY-HNNXBMFYSA-N 1 1 340.427 2.535 40 0 EFABMO COc1ccc([C@@H]2C[N@@H+](CC3(O)CCCCC3)CCN2C(C)=O)cc1 ZINC000257332710 474959003 /nfs/dbraw/zinc/95/90/03/474959003.db2.gz XYIVQRDUCCBWTN-IBGZPJMESA-N 1 1 346.471 2.596 40 0 EFABMO Cc1cccnc1C[N@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257333484 474959263 /nfs/dbraw/zinc/95/92/63/474959263.db2.gz YBSSJAZQTQXJRN-KRWDZBQOSA-N 1 1 336.439 2.729 40 0 EFABMO COCCN1C(=O)CCC[C@H]2C[N@H+](Cc3ccc(OC)cc3)CC[C@H]21 ZINC000257334742 474959988 /nfs/dbraw/zinc/95/99/88/474959988.db2.gz YHEVYRXCIVNMOE-PKOBYXMFSA-N 1 1 346.471 2.545 40 0 EFABMO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000257337589 474960826 /nfs/dbraw/zinc/96/08/26/474960826.db2.gz YTKTZGSCNXUISI-INIZCTEOSA-N 1 1 340.475 2.563 40 0 EFABMO C[N@H+](CCOc1ccccc1)Cc1ccnc([C@@H]2CCCOC2)n1 ZINC000257336952 474961575 /nfs/dbraw/zinc/96/15/75/474961575.db2.gz YQTSQALLBXFPHH-MRXNPFEDSA-N 1 1 327.428 2.881 40 0 EFABMO C[N@@H+](CCOc1ccccc1)Cc1ccnc([C@@H]2CCCOC2)n1 ZINC000257336952 474961584 /nfs/dbraw/zinc/96/15/84/474961584.db2.gz YQTSQALLBXFPHH-MRXNPFEDSA-N 1 1 327.428 2.881 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CCCC[C@@H](N(C)C(=O)Cc2ccsc2)[C@H]1O ZINC000257342653 474962831 /nfs/dbraw/zinc/96/28/31/474962831.db2.gz ZPOFNQVQDANRMZ-JFIYKMOQSA-N 1 1 347.484 2.799 40 0 EFABMO Cc1cncc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000257338055 474963646 /nfs/dbraw/zinc/96/36/46/474963646.db2.gz YVPDIZXOEBMNEK-KRWDZBQOSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1nccc(C[N@H+](C)[C@@H]2CCC[C@H](Oc3cccc(F)c3)[C@H]2O)n1 ZINC000257344791 474965295 /nfs/dbraw/zinc/96/52/95/474965295.db2.gz ZYRKPFXAVLPHQS-QYZOEREBSA-N 1 1 345.418 2.717 40 0 EFABMO Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2cncs2)C3)ncn1 ZINC000257343435 474965509 /nfs/dbraw/zinc/96/55/09/474965509.db2.gz ZTAXLVJNAAPKRH-UHFFFAOYSA-N 1 1 329.473 2.732 40 0 EFABMO C[N@H+](CCS(=O)(=O)Cc1ccccc1)C1Cc2ccccc2C1 ZINC000279348858 474971435 /nfs/dbraw/zinc/97/14/35/474971435.db2.gz JFUJNIOMEJMBOI-UHFFFAOYSA-N 1 1 329.465 2.701 40 0 EFABMO C[N@@H+](CCS(=O)(=O)Cc1ccccc1)C1Cc2ccccc2C1 ZINC000279348858 474971442 /nfs/dbraw/zinc/97/14/42/474971442.db2.gz JFUJNIOMEJMBOI-UHFFFAOYSA-N 1 1 329.465 2.701 40 0 EFABMO CSc1ccccc1C[N@@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000280388574 475021271 /nfs/dbraw/zinc/02/12/71/475021271.db2.gz KGJIQXYJRVQNFF-CQSZACIVSA-N 1 1 342.530 2.512 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000331810990 475421553 /nfs/dbraw/zinc/42/15/53/475421553.db2.gz SQGUUIQTRPQABO-MRXNPFEDSA-N 1 1 334.441 2.531 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000331810990 475421561 /nfs/dbraw/zinc/42/15/61/475421561.db2.gz SQGUUIQTRPQABO-MRXNPFEDSA-N 1 1 334.441 2.531 40 0 EFABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](CC2CCCC2)CC[C@@]1(C)O ZINC000514289585 479020052 /nfs/dbraw/zinc/02/00/52/479020052.db2.gz LIDWNYAWOKDMLQ-SLFFLAALSA-N 1 1 330.472 2.879 40 0 biogenic,in-vitro EFABMO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514288605 479021250 /nfs/dbraw/zinc/02/12/50/479021250.db2.gz GMPQLMDNZXBREZ-AEFFLSMTSA-N 1 1 326.371 2.543 40 0 biogenic,in-vitro EFABMO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000514288605 479021253 /nfs/dbraw/zinc/02/12/53/479021253.db2.gz GMPQLMDNZXBREZ-AEFFLSMTSA-N 1 1 326.371 2.543 40 0 biogenic,in-vitro EFABMO Cn1cnc2c1C[C@H](COCc1ccncc1)[N@H+](C1CCCC1)C2 ZINC000585094692 479279865 /nfs/dbraw/zinc/27/98/65/479279865.db2.gz HTSVTIQAWZFIEY-QGZVFWFLSA-N 1 1 326.444 2.701 40 0 EFABMO OCc1ccc(C[N@@H+]2Cc3ccnn3CC[C@@H]2COCC2CC2)cc1 ZINC000585098087 479281627 /nfs/dbraw/zinc/28/16/27/479281627.db2.gz TYZCGTUXLGGORR-HXUWFJFHSA-N 1 1 341.455 2.577 40 0 EFABMO OCc1ccc(C[N@H+]2Cc3ccnn3CC[C@@H]2COCC2CC2)cc1 ZINC000585098087 479281633 /nfs/dbraw/zinc/28/16/33/479281633.db2.gz TYZCGTUXLGGORR-HXUWFJFHSA-N 1 1 341.455 2.577 40 0 EFABMO COCC[N@H+]1CC[C@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585102022 479283583 /nfs/dbraw/zinc/28/35/83/479283583.db2.gz OBCYPYPHBJERHZ-KRWDZBQOSA-N 1 1 340.826 2.806 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)C1(F)CCC1)C2 ZINC000585102330 479284080 /nfs/dbraw/zinc/28/40/80/479284080.db2.gz XDIJXRMQPODJOU-QGZVFWFLSA-N 1 1 335.423 2.751 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)C1(F)CCC1)C2 ZINC000585102330 479284085 /nfs/dbraw/zinc/28/40/85/479284085.db2.gz XDIJXRMQPODJOU-QGZVFWFLSA-N 1 1 335.423 2.751 40 0 EFABMO CC(C)C[N@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102387 479284155 /nfs/dbraw/zinc/28/41/55/479284155.db2.gz YWQAUYQAPTWUPF-KRWDZBQOSA-N 1 1 334.489 2.752 40 0 EFABMO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585103731 479284374 /nfs/dbraw/zinc/28/43/74/479284374.db2.gz FNYXVIYOFPNUEI-YLJYHZDGSA-N 1 1 330.472 2.955 40 0 EFABMO CC[N@@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000585103146 479284652 /nfs/dbraw/zinc/28/46/52/479284652.db2.gz DNVQRVWQFKOOCU-SFHVURJKSA-N 1 1 330.472 2.958 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccoc3)C2)OC1 ZINC000585103460 479285031 /nfs/dbraw/zinc/28/50/31/479285031.db2.gz BHVYMCAUAVFSBY-SFHVURJKSA-N 1 1 341.455 2.788 40 0 EFABMO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(Cc1ccco1)C2 ZINC000585102763 479285132 /nfs/dbraw/zinc/28/51/32/479285132.db2.gz GVFHGMLCKBXKIA-GOSISDBHSA-N 1 1 341.455 2.788 40 0 EFABMO CCn1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)cn1 ZINC000585104436 479285868 /nfs/dbraw/zinc/28/58/68/479285868.db2.gz INSBNGPOYPVVLK-QGZVFWFLSA-N 1 1 344.484 2.575 40 0 EFABMO CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C(=O)N(C)C)C[C@H]2OCC[C@H]21 ZINC000585108730 479286953 /nfs/dbraw/zinc/28/69/53/479286953.db2.gz NEIRJJMEWJNDLN-YQVWRLOYSA-N 1 1 346.471 2.541 40 0 EFABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@@H+]2CCC(C)C)C1 ZINC000585107915 479287814 /nfs/dbraw/zinc/28/78/14/479287814.db2.gz FOHHLIJOUQITCQ-DLBZAZTESA-N 1 1 336.501 2.736 40 0 EFABMO Cc1ccccc1C(=O)N1CC[C@@H]2C[N@@H+](CC3CC3)CCO[C@@H]2C1 ZINC000585108290 479287935 /nfs/dbraw/zinc/28/79/35/479287935.db2.gz RFQILTURZPEKQT-IEBWSBKVSA-N 1 1 328.456 2.568 40 0 EFABMO COCc1cnc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000585140267 479297060 /nfs/dbraw/zinc/29/70/60/479297060.db2.gz BFJGTXAGQLBQLN-HUUCEWRRSA-N 1 1 331.441 2.921 40 0 EFABMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)Cc3ccn(C)n3)cc2)C[C@H](C)O1 ZINC000585142262 479299836 /nfs/dbraw/zinc/29/98/36/479299836.db2.gz RXSJWYSTDPAQHM-CALCHBBNSA-N 1 1 342.487 2.661 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269483 479304197 /nfs/dbraw/zinc/30/41/97/479304197.db2.gz WHCWITOJBNIZCA-LJQANCHMSA-N 1 1 327.428 2.529 40 0 EFABMO O[C@]1(COc2ccc(F)cc2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585275216 479305155 /nfs/dbraw/zinc/30/51/55/479305155.db2.gz ALOVZYOYKPSQOH-IBGZPJMESA-N 1 1 337.435 2.991 40 0 EFABMO CO[C@@]1(COc2ccc(C)cc2)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000585275924 479305612 /nfs/dbraw/zinc/30/56/12/479305612.db2.gz GSWZDFWUMADNFJ-IBGZPJMESA-N 1 1 327.428 2.763 40 0 EFABMO CO[C@@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000585275924 479305613 /nfs/dbraw/zinc/30/56/13/479305613.db2.gz GSWZDFWUMADNFJ-IBGZPJMESA-N 1 1 327.428 2.763 40 0 EFABMO COc1ccccc1C[N@@H+]1CCC[C@H](OC)[C@@H]1CCC(=O)N(C)C ZINC000585279386 479306905 /nfs/dbraw/zinc/30/69/05/479306905.db2.gz YRXNNGINEJVNPC-WMZOPIPTSA-N 1 1 334.460 2.543 40 0 EFABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C[C@H]1Cc1ccccc1 ZINC000585277852 479307518 /nfs/dbraw/zinc/30/75/18/479307518.db2.gz WUFHSHORUZHBJD-MSOLQXFVSA-N 1 1 339.439 2.600 40 0 EFABMO O[C@@]1(COc2cc(F)cc(F)c2)COCC[N@H+](C2CCCCC2)C1 ZINC000585281864 479308631 /nfs/dbraw/zinc/30/86/31/479308631.db2.gz CZFSZWQBBBMFKU-GOSISDBHSA-N 1 1 341.398 2.740 40 0 EFABMO CC(C)N1CCC([NH2+][C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585289556 479309531 /nfs/dbraw/zinc/30/95/31/479309531.db2.gz ROXRPDAJLKDSKW-XUVXKRRUSA-N 1 1 332.488 2.810 40 0 EFABMO CC[NH+](CC)CCCN[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585288616 479309954 /nfs/dbraw/zinc/30/99/54/479309954.db2.gz FQXOIDSGYAOMJE-IPMKNSEASA-N 1 1 338.467 2.808 40 0 EFABMO COCc1ccc(C[N@@H+]2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)o1 ZINC000585291670 479310671 /nfs/dbraw/zinc/31/06/71/479310671.db2.gz RHZWXIYZYHCKEI-PWIZWCRZSA-N 1 1 343.423 2.545 40 0 EFABMO COCc1ccc(C[N@H+]2C[C@@H](O)[C@@]3(C[C@H](c4ccccc4)CO3)C2)o1 ZINC000585291670 479310674 /nfs/dbraw/zinc/31/06/74/479310674.db2.gz RHZWXIYZYHCKEI-PWIZWCRZSA-N 1 1 343.423 2.545 40 0 EFABMO C[N@@H+](CCN1CCCCC1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290085 479310770 /nfs/dbraw/zinc/31/07/70/479310770.db2.gz ZTUJETOZNJYHAQ-XUVXKRRUSA-N 1 1 332.488 2.765 40 0 EFABMO CN(CC[NH+]1CCCCC1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290085 479310775 /nfs/dbraw/zinc/31/07/75/479310775.db2.gz ZTUJETOZNJYHAQ-XUVXKRRUSA-N 1 1 332.488 2.765 40 0 EFABMO CN1CCC[N@H+]([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290323 479310815 /nfs/dbraw/zinc/31/08/15/479310815.db2.gz UZNJCNYNOIITND-RCCFBDPRSA-N 1 1 338.879 2.638 40 0 EFABMO C[N@@H+]1CCCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290323 479310818 /nfs/dbraw/zinc/31/08/18/479310818.db2.gz UZNJCNYNOIITND-RCCFBDPRSA-N 1 1 338.879 2.638 40 0 EFABMO C[N@H+]1CCCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290323 479310825 /nfs/dbraw/zinc/31/08/25/479310825.db2.gz UZNJCNYNOIITND-RCCFBDPRSA-N 1 1 338.879 2.638 40 0 EFABMO O=C(NC1CCCCC1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575609011 479452745 /nfs/dbraw/zinc/45/27/45/479452745.db2.gz XJFIUNXJNRLDSC-UHFFFAOYSA-N 1 1 325.522 2.932 40 0 EFABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cccs2)CC[C@@]1(C)O ZINC000604382405 479509371 /nfs/dbraw/zinc/50/93/71/479509371.db2.gz QYODLZTZORKQPW-GBESFXJTSA-N 1 1 344.480 2.951 40 0 biogenic,in-vitro EFABMO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Br)cc1F ZINC000129628540 533820621 /nfs/dbraw/zinc/82/06/21/533820621.db2.gz DCFXWGZVGRFHQD-VIFPVBQESA-N 1 1 329.213 2.765 40 0 EFABMO Cn1ccc(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)n1 ZINC000158821341 534772119 /nfs/dbraw/zinc/77/21/19/534772119.db2.gz CBFRZRIUBHJSBC-UHFFFAOYSA-N 1 1 331.445 2.613 40 0 EFABMO C[C@H](CNC(=O)N[C@H](C)c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000048069266 524428128 /nfs/dbraw/zinc/42/81/28/524428128.db2.gz KEGBZQNPBPUPRN-HZPDHXFCSA-N 1 1 338.455 2.889 40 0 EFABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)n1 ZINC000679770322 549196717 /nfs/dbraw/zinc/19/67/17/549196717.db2.gz NMEGMVZNDKPXNP-OAHLLOKOSA-N 1 1 341.459 2.624 40 0 EFABMO CCNC(=O)N1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000252500628 564119824 /nfs/dbraw/zinc/11/98/24/564119824.db2.gz SZLULNDEEXMDIB-WMZOPIPTSA-N 1 1 342.418 2.704 40 0 EFABMO O=S(=O)(NC[C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1)C1CC1 ZINC000585084661 564133917 /nfs/dbraw/zinc/13/39/17/564133917.db2.gz JDHCMIRYIXKAPH-HNNXBMFYSA-N 1 1 348.512 2.858 40 0 EFABMO Cc1nc(N2CCN(c3ncccn3)CC2)cc(Nc2ccccc2)[nH+]1 ZINC000244400195 716314051 /nfs/dbraw/zinc/31/40/51/716314051.db2.gz YJWFHRXFLFPPGJ-UHFFFAOYSA-N 1 1 347.426 2.645 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 ZINC000028240938 1099451234 /nfs/dbraw/zinc/45/12/34/1099451234.db2.gz MKKNNBLTHZIGJU-UHFFFAOYSA-N 1 1 332.367 2.564 40 0 EFABMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cnccn1 ZINC000022619230 295659162 /nfs/dbraw/zinc/65/91/62/295659162.db2.gz SYLVHKMTZXDLGB-INIZCTEOSA-N 1 1 330.819 2.697 40 0 EFABMO O=C(N[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]2CCCO[C@H]12)C1CCC1 ZINC000097953470 219064079 /nfs/dbraw/zinc/06/40/79/219064079.db2.gz BEKKCZOYJUTPHF-UAGQMJEPSA-N 1 1 334.485 2.644 40 0 EFABMO FC(F)(F)c1ccc(N2CCC([NH2+]Cc3ccn[nH]3)CC2)nc1 ZINC000066973009 215100174 /nfs/dbraw/zinc/10/01/74/215100174.db2.gz XSYWRRLJPRGBQE-UHFFFAOYSA-N 1 1 325.338 2.582 40 0 EFABMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000040466317 213309216 /nfs/dbraw/zinc/30/92/16/213309216.db2.gz CIEJDPNWWKMIOK-MRXNPFEDSA-N 1 1 341.411 2.572 40 0 EFABMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000040466317 213309219 /nfs/dbraw/zinc/30/92/19/213309219.db2.gz CIEJDPNWWKMIOK-MRXNPFEDSA-N 1 1 341.411 2.572 40 0 EFABMO CN1CC[NH+](Cc2ccccc2CNC(=O)c2cccc(F)c2)CC1 ZINC000040089769 213261180 /nfs/dbraw/zinc/26/11/80/213261180.db2.gz YFHIJVKNBMJDSP-UHFFFAOYSA-N 1 1 341.430 2.503 40 0 EFABMO C[N@@H+](CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)C1CCCC1 ZINC000040019917 213251724 /nfs/dbraw/zinc/25/17/24/213251724.db2.gz QWAQMFBJLRLMMG-FQEVSTJZSA-N 1 1 341.455 2.992 40 0 EFABMO Cc1cc(CN2CC[NH+](CCOc3cccc(Cl)c3)CC2)no1 ZINC000039987627 213248986 /nfs/dbraw/zinc/24/89/86/213248986.db2.gz JMIBFZUWTSJUQJ-UHFFFAOYSA-N 1 1 335.835 2.833 40 0 EFABMO COCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832991 213227202 /nfs/dbraw/zinc/22/72/02/213227202.db2.gz FXEFTSGJURLEBR-LBPRGKRZSA-N 1 1 345.270 2.968 40 0 EFABMO COCCNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832991 213227200 /nfs/dbraw/zinc/22/72/00/213227200.db2.gz FXEFTSGJURLEBR-LBPRGKRZSA-N 1 1 345.270 2.968 40 0 EFABMO C=Cn1cc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)c(C)n1 ZINC000036740665 213115951 /nfs/dbraw/zinc/11/59/51/213115951.db2.gz DYXBJPUJNMXQIG-SFHVURJKSA-N 1 1 338.455 2.728 40 0 EFABMO O=C(Cc1cccs1)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036699944 213111194 /nfs/dbraw/zinc/11/11/94/213111194.db2.gz ULHBTATZZGEBHF-GOSISDBHSA-N 1 1 344.480 2.870 40 0 EFABMO O=C(Cc1cccs1)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000036699944 213111198 /nfs/dbraw/zinc/11/11/98/213111198.db2.gz ULHBTATZZGEBHF-GOSISDBHSA-N 1 1 344.480 2.870 40 0 EFABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CCC2)n1 ZINC000035424945 213027654 /nfs/dbraw/zinc/02/76/54/213027654.db2.gz ARPKEFKQKVKXMX-HNNXBMFYSA-N 1 1 343.431 2.879 40 0 biogenic,in-vitro EFABMO Cc1cc(C)n2nc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2n1 ZINC000035315307 213021210 /nfs/dbraw/zinc/02/12/10/213021210.db2.gz XCWLHIZRQUWULN-GASCZTMLSA-N 1 1 343.475 2.729 40 0 EFABMO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355434 216165102 /nfs/dbraw/zinc/16/51/02/216165102.db2.gz XHEFFTNOTGMBAR-KRWDZBQOSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1cc(Nc2ncccn2)nc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360060 216165513 /nfs/dbraw/zinc/16/55/13/216165513.db2.gz SCSKRRIZBGPHDC-OAHLLOKOSA-N 1 1 340.431 2.635 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2cccc(OC)c2)C1 ZINC000072358501 216166487 /nfs/dbraw/zinc/16/64/87/216166487.db2.gz BAWOPUSIHODOTI-INIZCTEOSA-N 1 1 327.428 2.978 40 0 EFABMO CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340189 216158504 /nfs/dbraw/zinc/15/85/04/216158504.db2.gz PNPDDXLMSPLHIB-ALKREAHSSA-N 1 1 331.412 2.570 40 0 EFABMO CCc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350558 216162917 /nfs/dbraw/zinc/16/29/17/216162917.db2.gz FUQDPRGPTWJRAU-KRWDZBQOSA-N 1 1 348.454 2.999 40 0 EFABMO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000072379608 216180872 /nfs/dbraw/zinc/18/08/72/216180872.db2.gz YEBGHTZNFCOEFP-LJQANCHMSA-N 1 1 342.418 2.631 40 0 EFABMO COCC[N@@H+]1CCC[C@@H]1c1nc(C)cc(Nc2nc(C)cc(C)n2)n1 ZINC000072382445 216182505 /nfs/dbraw/zinc/18/25/05/216182505.db2.gz DSQSJBAWOFMZFB-OAHLLOKOSA-N 1 1 342.447 2.719 40 0 EFABMO COCC[N@H+]1CCC[C@@H]1c1nc(C)cc(Nc2nc(C)cc(C)n2)n1 ZINC000072382445 216182508 /nfs/dbraw/zinc/18/25/08/216182508.db2.gz DSQSJBAWOFMZFB-OAHLLOKOSA-N 1 1 342.447 2.719 40 0 EFABMO Cc1nc([C@H]2CC[N@H+]2CCc2ccccc2)cc(N2CCOCC2)n1 ZINC000072387528 216186870 /nfs/dbraw/zinc/18/68/70/216186870.db2.gz DVYDVRVDZHALMQ-LJQANCHMSA-N 1 1 338.455 2.611 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392934 216190509 /nfs/dbraw/zinc/19/05/09/216190509.db2.gz MNUZZJFPOVMYNQ-INIZCTEOSA-N 1 1 347.422 2.607 40 0 EFABMO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc2ncccc2c1 ZINC000072392142 216191272 /nfs/dbraw/zinc/19/12/72/216191272.db2.gz AOQMSRWFMSTNDY-KRWDZBQOSA-N 1 1 335.411 2.534 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392936 216191718 /nfs/dbraw/zinc/19/17/18/216191718.db2.gz FYPICXCXTQULML-MRXNPFEDSA-N 1 1 336.395 2.805 40 0 EFABMO Cc1nc(C(C)(C)[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)sc1C ZINC000072865598 216322899 /nfs/dbraw/zinc/32/28/99/216322899.db2.gz LSHHUYBEJFHUKR-JTQLQIEISA-N 1 1 335.395 2.748 40 0 EFABMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)on1 ZINC000073303042 216375819 /nfs/dbraw/zinc/37/58/19/216375819.db2.gz FBCDUWQGOXUFNE-ZDUSSCGKSA-N 1 1 329.400 2.956 40 0 EFABMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cnccn1 ZINC000022619228 212311248 /nfs/dbraw/zinc/31/12/48/212311248.db2.gz SYLVHKMTZXDLGB-MRXNPFEDSA-N 1 1 330.819 2.697 40 0 EFABMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000195530980 240984755 /nfs/dbraw/zinc/98/47/55/240984755.db2.gz SWBYJJDDYXSHNL-WMLDXEAASA-N 1 1 347.484 2.586 40 0 EFABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000021822164 212254928 /nfs/dbraw/zinc/25/49/28/212254928.db2.gz OJMQPMCTQRQSBI-UHFFFAOYSA-N 1 1 345.393 2.721 40 0 EFABMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000225718894 242002260 /nfs/dbraw/zinc/00/22/60/242002260.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000225718894 242002264 /nfs/dbraw/zinc/00/22/64/242002264.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC000225718894 242002268 /nfs/dbraw/zinc/00/22/68/242002268.db2.gz WBYZORUJUFCYPI-HUUCEWRRSA-N 1 1 331.489 2.756 40 0 EFABMO CCc1nc(N2CCN(C(=O)c3ccc(C)s3)CC2)cc(C)[nH+]1 ZINC000225818078 242050444 /nfs/dbraw/zinc/05/04/44/242050444.db2.gz BULQXVWAMHQTGK-UHFFFAOYSA-N 1 1 330.457 2.680 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000230082184 242226281 /nfs/dbraw/zinc/22/62/81/242226281.db2.gz FTKNIZLWTDTSCA-QZTJIDSGSA-N 1 1 327.428 2.752 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000230082184 242226287 /nfs/dbraw/zinc/22/62/87/242226287.db2.gz FTKNIZLWTDTSCA-QZTJIDSGSA-N 1 1 327.428 2.752 40 0 EFABMO CC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000230104195 242230850 /nfs/dbraw/zinc/23/08/50/242230850.db2.gz KGTLYBBHWIXHSZ-RBUKOAKNSA-N 1 1 337.423 2.929 40 0 EFABMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)NCCc2ccccc2F)C1 ZINC000230104489 242231155 /nfs/dbraw/zinc/23/11/55/242231155.db2.gz QCHFRUNUBBOCPV-ZWKOTPCHSA-N 1 1 326.415 2.830 40 0 EFABMO C[N@H+]1C[C@H](C(=O)Nc2nnc(C3CC3)s2)[C@H](c2ccccc2)C1 ZINC000230104056 242231172 /nfs/dbraw/zinc/23/11/72/242231172.db2.gz XRIYYAKHQNIHSG-KBPBESRZSA-N 1 1 328.441 2.699 40 0 EFABMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1Cc2ccccc2O1 ZINC000029897704 283989887 /nfs/dbraw/zinc/98/98/87/283989887.db2.gz TYRRMCAHGPYUKT-APWZRJJASA-N 1 1 340.423 2.927 40 0 EFABMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc2C1 ZINC000021294194 212219131 /nfs/dbraw/zinc/21/91/31/212219131.db2.gz NPPACWARHVWIEL-UHFFFAOYSA-N 1 1 345.424 2.560 40 0 EFABMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C(=O)OC)cc3)sc2C1 ZINC000021294194 212219128 /nfs/dbraw/zinc/21/91/28/212219128.db2.gz NPPACWARHVWIEL-UHFFFAOYSA-N 1 1 345.424 2.560 40 0 EFABMO c1cc2n(c1)C[C@@H](OCc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253588480 244025407 /nfs/dbraw/zinc/02/54/07/244025407.db2.gz FERCLAANGGFDCA-FQEVSTJZSA-N 1 1 341.455 2.711 40 0 EFABMO c1cc2n(c1)C[C@H](Oc1cccnc1)C[N@H+](CC1CCOCC1)C2 ZINC000253588733 244026292 /nfs/dbraw/zinc/02/62/92/244026292.db2.gz QCWLEARSAIQIRU-LJQANCHMSA-N 1 1 327.428 2.573 40 0 EFABMO Cc1ccsc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)C)CO2 ZINC000253599934 244031577 /nfs/dbraw/zinc/03/15/77/244031577.db2.gz YHTQDVDOSIFLLY-HNNXBMFYSA-N 1 1 336.501 2.810 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC000253613820 244038816 /nfs/dbraw/zinc/03/88/16/244038816.db2.gz OKIXGJGWTXGJOQ-FRFSOERESA-N 1 1 334.441 2.932 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC000253613820 244038825 /nfs/dbraw/zinc/03/88/25/244038825.db2.gz OKIXGJGWTXGJOQ-FRFSOERESA-N 1 1 334.441 2.932 40 0 EFABMO O=C(CC1CC[NH2+]CC1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000257197967 244113926 /nfs/dbraw/zinc/11/39/26/244113926.db2.gz OVOBJTMRCMAXSU-UHFFFAOYSA-N 1 1 326.322 2.910 40 0 EFABMO CCN(Cc1ccccc1)C(=O)c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000257200448 244118879 /nfs/dbraw/zinc/11/88/79/244118879.db2.gz ADJKAJZVKNOGQF-QGZVFWFLSA-N 1 1 338.455 2.948 40 0 EFABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2ccnn2C(C)C)n1 ZINC000257203029 244123140 /nfs/dbraw/zinc/12/31/40/244123140.db2.gz AOIOKFSLJOKPMB-LJQANCHMSA-N 1 1 341.459 2.832 40 0 EFABMO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)n1 ZINC000257203029 244123149 /nfs/dbraw/zinc/12/31/49/244123149.db2.gz AOIOKFSLJOKPMB-LJQANCHMSA-N 1 1 341.459 2.832 40 0 EFABMO CN(C)c1nc([C@H]2CCC[N@@H+](Cc3cnccn3)C2)cn2cccc12 ZINC000257203729 244126951 /nfs/dbraw/zinc/12/69/51/244126951.db2.gz ARKCWYNJYBIRCQ-HNNXBMFYSA-N 1 1 336.443 2.570 40 0 EFABMO C[C@]1(COc2cccnc2)C[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]2O1 ZINC000257208209 244140164 /nfs/dbraw/zinc/14/01/64/244140164.db2.gz BLDWAPGDMPGWOG-YZGWKJHDSA-N 1 1 339.439 2.925 40 0 EFABMO Cn1cncc1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257210964 244150283 /nfs/dbraw/zinc/15/02/83/244150283.db2.gz BWWXOYVQQLWCRG-INIZCTEOSA-N 1 1 335.415 2.686 40 0 EFABMO Cn1cncc1C[N@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257210964 244150289 /nfs/dbraw/zinc/15/02/89/244150289.db2.gz BWWXOYVQQLWCRG-INIZCTEOSA-N 1 1 335.415 2.686 40 0 EFABMO Cc1nc[nH]c1C[N@H+]1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257221645 244185599 /nfs/dbraw/zinc/18/55/99/244185599.db2.gz DPZQXJOFBYMHPR-AYOQOUSVSA-N 1 1 342.443 2.562 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@H](Cc3cc[nH]n3)C2)cc1CO ZINC000257221537 244186474 /nfs/dbraw/zinc/18/64/74/244186474.db2.gz DPMIWJCHCQIHNU-OAHLLOKOSA-N 1 1 329.444 2.755 40 0 EFABMO CCOc1ccc(C[N@@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cc1CO ZINC000257221537 244186479 /nfs/dbraw/zinc/18/64/79/244186479.db2.gz DPMIWJCHCQIHNU-OAHLLOKOSA-N 1 1 329.444 2.755 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@H](Cc3ccn[nH]3)C2)cc1CO ZINC000257221537 244186485 /nfs/dbraw/zinc/18/64/85/244186485.db2.gz DPMIWJCHCQIHNU-OAHLLOKOSA-N 1 1 329.444 2.755 40 0 EFABMO Cc1ccncc1C[N@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257225844 244202515 /nfs/dbraw/zinc/20/25/15/244202515.db2.gz FIDCKZSGABMPML-QGZVFWFLSA-N 1 1 336.439 2.729 40 0 EFABMO CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]3[C@H]2CCCC[N@@H+]3C)cc1 ZINC000257228126 244207450 /nfs/dbraw/zinc/20/74/50/244207450.db2.gz FSKGCLNRKAPINK-QZTJIDSGSA-N 1 1 329.444 2.734 40 0 EFABMO Cc1cccc(C(=O)N2CCC[C@H]2c2nc(C)ncc2C[NH+](C)C)n1 ZINC000257229930 244211297 /nfs/dbraw/zinc/21/12/97/244211297.db2.gz GAAUQXZEDKDGIH-KRWDZBQOSA-N 1 1 339.443 2.527 40 0 EFABMO Cc1cccc(CN2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)n1 ZINC000257245431 244256098 /nfs/dbraw/zinc/25/60/98/244256098.db2.gz IPLRWRSUCFYRBQ-LJQANCHMSA-N 1 1 326.444 2.733 40 0 EFABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)nc(C)n1 ZINC000257231847 244217993 /nfs/dbraw/zinc/21/79/93/244217993.db2.gz GIJMAMMODICKCM-SFHVURJKSA-N 1 1 342.443 2.535 40 0 EFABMO Cc1cccnc1CN1CCO[C@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257235235 244226163 /nfs/dbraw/zinc/22/61/63/244226163.db2.gz GWZWCDSIAMLVKH-GOSISDBHSA-N 1 1 340.471 2.685 40 0 EFABMO COc1cc(C[N@@H+]2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)ccc1F ZINC000257236742 244232937 /nfs/dbraw/zinc/23/29/37/244232937.db2.gz HDOCWKPHNSHSFI-HLLBOEOZSA-N 1 1 342.418 2.947 40 0 EFABMO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H](Oc3cccc(F)c3)[C@H]2O)no1 ZINC000257238007 244235056 /nfs/dbraw/zinc/23/50/56/244235056.db2.gz HJEHHYNYOMDBSG-SQNIBIBYSA-N 1 1 334.391 2.915 40 0 EFABMO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H](Oc3cccc(F)c3)[C@H]2O)no1 ZINC000257238007 244235059 /nfs/dbraw/zinc/23/50/59/244235059.db2.gz HJEHHYNYOMDBSG-SQNIBIBYSA-N 1 1 334.391 2.915 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cn1 ZINC000257239339 244238125 /nfs/dbraw/zinc/23/81/25/244238125.db2.gz HOVNQNVWQUGGAB-PMACEKPBSA-N 1 1 341.455 2.760 40 0 EFABMO CCCn1ccnc1CN1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257242593 244247234 /nfs/dbraw/zinc/24/72/34/244247234.db2.gz IDGOXKDWWWWBJL-SFHVURJKSA-N 1 1 343.475 2.636 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257258426 244289875 /nfs/dbraw/zinc/28/98/75/244289875.db2.gz KTUQOWCBXSUNTM-CYBMUJFWSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1cccc(C[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257270726 244376850 /nfs/dbraw/zinc/37/68/50/244376850.db2.gz MVKYDYCRRVTPLM-INIZCTEOSA-N 1 1 325.460 2.701 40 0 EFABMO Cc1cccc(C[C@H]2CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)n1 ZINC000257270727 244376902 /nfs/dbraw/zinc/37/69/02/244376902.db2.gz MVKYDYCRRVTPLM-MRXNPFEDSA-N 1 1 325.460 2.701 40 0 EFABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2scnc2C)n1 ZINC000257265084 244358743 /nfs/dbraw/zinc/35/87/43/244358743.db2.gz LXGWQFVVCQGPPF-MRXNPFEDSA-N 1 1 330.457 2.820 40 0 EFABMO COc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)cc1 ZINC000257271825 244380120 /nfs/dbraw/zinc/38/01/20/244380120.db2.gz MZXWXXPWDDVKIH-ICSRJNTNSA-N 1 1 346.471 2.939 40 0 EFABMO Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)n1 ZINC000257272477 244383009 /nfs/dbraw/zinc/38/30/09/244383009.db2.gz NCOCSTKKIDZWEQ-OAHLLOKOSA-N 1 1 334.427 2.950 40 0 EFABMO Cc1c[nH]c(-c2cncc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)n1 ZINC000257272476 244383752 /nfs/dbraw/zinc/38/37/52/244383752.db2.gz NCOCSTKKIDZWEQ-HNNXBMFYSA-N 1 1 334.427 2.950 40 0 EFABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257272327 244384133 /nfs/dbraw/zinc/38/41/33/244384133.db2.gz NCADJAOGMZTVGB-KRWDZBQOSA-N 1 1 327.428 2.536 40 0 EFABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](c4ccnc(C)n4)C3)c2n1 ZINC000257277525 244397814 /nfs/dbraw/zinc/39/78/14/244397814.db2.gz NYHDKQFXYSLENU-INIZCTEOSA-N 1 1 336.443 2.824 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746721 212061068 /nfs/dbraw/zinc/06/10/68/212061068.db2.gz BTPICVFFJRDOSP-IBGZPJMESA-N 1 1 330.476 2.784 40 0 EFABMO CCN1CCc2cc(-c3cncn3[C@@H](C)C[NH+]3CCOCC3)ccc21 ZINC000019719381 212057463 /nfs/dbraw/zinc/05/74/63/212057463.db2.gz YJLKYRJSRUQUTE-INIZCTEOSA-N 1 1 340.471 2.826 40 0 EFABMO CCn1cncc1CN(Cc1ccccn1)C[C@@H]1CCC[N@H+]1CC ZINC000019578566 212047179 /nfs/dbraw/zinc/04/71/79/212047179.db2.gz VRODXLXMQPMBSJ-SFHVURJKSA-N 1 1 327.476 2.785 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590369 212049567 /nfs/dbraw/zinc/04/95/67/212049567.db2.gz OMHVTJPWKDYGGY-INIZCTEOSA-N 1 1 342.487 2.751 40 0 EFABMO COCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2C ZINC000019590808 212048219 /nfs/dbraw/zinc/04/82/19/212048219.db2.gz DZWXGGZIWCQZRA-SCTDSRPQSA-N 1 1 334.435 2.641 40 0 EFABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575280 212045618 /nfs/dbraw/zinc/04/56/18/212045618.db2.gz ZKMWMTWZZGIFCD-KBAYOESNSA-N 1 1 349.478 2.971 40 0 EFABMO COc1ccccc1C[N@H+]1CCC[C@H](c2nc(C)c(C)c(=O)[nH]2)C1 ZINC000019555419 212040326 /nfs/dbraw/zinc/04/03/26/212040326.db2.gz UDLXPAQTRWQGLT-INIZCTEOSA-N 1 1 327.428 2.775 40 0 EFABMO CC[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500573 212034102 /nfs/dbraw/zinc/03/41/02/212034102.db2.gz KLWPIXRMPDDCJE-QGZVFWFLSA-N 1 1 342.491 2.697 40 0 EFABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2cccnc2)nc(-c2cccnc2)[nH]1 ZINC000019339149 212018654 /nfs/dbraw/zinc/01/86/54/212018654.db2.gz ZDVJAZFDRIBSIS-GOSISDBHSA-N 1 1 347.422 2.954 40 0 EFABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2cccnc2)nc(-c2cccnc2)[nH]1 ZINC000019339149 212018658 /nfs/dbraw/zinc/01/86/58/212018658.db2.gz ZDVJAZFDRIBSIS-GOSISDBHSA-N 1 1 347.422 2.954 40 0 EFABMO OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000019338744 212017986 /nfs/dbraw/zinc/01/79/86/212017986.db2.gz GHIAPJZHPTYJCS-PMSBKCLSSA-N 1 1 348.450 2.989 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)cc1 ZINC000019334176 212017192 /nfs/dbraw/zinc/01/71/92/212017192.db2.gz QGFQTSUMQAUSNB-QGZVFWFLSA-N 1 1 338.390 2.539 40 0 EFABMO Cc1ccsc1C[N@@H+]1CCc2nc3ccccc3c(=O)n2CC1 ZINC000019238710 212008160 /nfs/dbraw/zinc/00/81/60/212008160.db2.gz ZEMRPLWBGCZDJY-UHFFFAOYSA-N 1 1 325.437 2.825 40 0 EFABMO C[N@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019082707 212000244 /nfs/dbraw/zinc/00/02/44/212000244.db2.gz FTYXQYDGLFPITN-CQSZACIVSA-N 1 1 330.476 2.607 40 0 EFABMO CN(CC1CC[NH+](CN2CCSC2=O)CC1)C(=O)OC(C)(C)C ZINC000078440735 217052169 /nfs/dbraw/zinc/05/21/69/217052169.db2.gz FNKPEXGHKDBLOP-UHFFFAOYSA-N 1 1 343.493 2.692 40 0 EFABMO Cc1csc(CCCNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000078928796 217150075 /nfs/dbraw/zinc/15/00/75/217150075.db2.gz QCUKRFCZPUNOIB-HNNXBMFYSA-N 1 1 343.496 2.947 40 0 EFABMO Cc1csc(CCCNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n1 ZINC000078928796 217150079 /nfs/dbraw/zinc/15/00/79/217150079.db2.gz QCUKRFCZPUNOIB-HNNXBMFYSA-N 1 1 343.496 2.947 40 0 EFABMO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000078996647 217169781 /nfs/dbraw/zinc/16/97/81/217169781.db2.gz GEYZLARRRKXHFC-RDTXWAMCSA-N 1 1 340.471 2.879 40 0 EFABMO CC(C)[N@H+](CCN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391849 217219390 /nfs/dbraw/zinc/21/93/90/217219390.db2.gz NSNJJHAYNYRHKN-ZWKOTPCHSA-N 1 1 333.476 2.893 40 0 EFABMO CC(C)[N@@H+](CCN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391849 217219393 /nfs/dbraw/zinc/21/93/93/217219393.db2.gz NSNJJHAYNYRHKN-ZWKOTPCHSA-N 1 1 333.476 2.893 40 0 EFABMO CC(C)N(C[C@@H]1CCCC[N@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411163 217221473 /nfs/dbraw/zinc/22/14/73/217221473.db2.gz GAVLVXZZRTYWJM-SFHVURJKSA-N 1 1 334.460 2.880 40 0 EFABMO C[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C[C@@H]1CCOC1 ZINC000079498180 217234856 /nfs/dbraw/zinc/23/48/56/217234856.db2.gz BSSCCCZPQIRHNS-AWEZNQCLSA-N 1 1 345.468 2.541 40 0 EFABMO C[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C[C@@H]1CCOC1 ZINC000079498180 217234858 /nfs/dbraw/zinc/23/48/58/217234858.db2.gz BSSCCCZPQIRHNS-AWEZNQCLSA-N 1 1 345.468 2.541 40 0 EFABMO Cc1cc(C[N@@H+](CCO)Cc2cccnc2)c(C)n1-c1cccnc1 ZINC000012144445 211304602 /nfs/dbraw/zinc/30/46/02/211304602.db2.gz WLMQNZFHXJQXML-UHFFFAOYSA-N 1 1 336.439 2.879 40 0 EFABMO Cc1cccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)n1 ZINC000012121693 211300514 /nfs/dbraw/zinc/30/05/14/211300514.db2.gz HNANTFAKHMSQRS-UHFFFAOYSA-N 1 1 333.395 2.506 40 0 EFABMO Cc1cccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)n1 ZINC000012121693 211300516 /nfs/dbraw/zinc/30/05/16/211300516.db2.gz HNANTFAKHMSQRS-UHFFFAOYSA-N 1 1 333.395 2.506 40 0 EFABMO COCC(=O)N1CCC[C@@H](c2[nH+]c3ccccn3c2NC(C)(C)C)C1 ZINC000012128067 211299447 /nfs/dbraw/zinc/29/94/47/211299447.db2.gz ZMHKTAPDOWIAIA-CQSZACIVSA-N 1 1 344.459 2.897 40 0 EFABMO COc1ccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(OC)c1 ZINC000093413080 218222325 /nfs/dbraw/zinc/22/23/25/218222325.db2.gz FTNRFENDMXPXHZ-INIZCTEOSA-N 1 1 341.455 2.978 40 0 EFABMO COc1ccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c(OC)c1 ZINC000093413081 218223338 /nfs/dbraw/zinc/22/33/38/218223338.db2.gz FTNRFENDMXPXHZ-MRXNPFEDSA-N 1 1 341.455 2.978 40 0 EFABMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3N3CCOCC3)CCO2)o1 ZINC000093865033 218254191 /nfs/dbraw/zinc/25/41/91/218254191.db2.gz SYLBKUJFUJWSMR-FQEVSTJZSA-N 1 1 342.439 2.998 40 0 EFABMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3N3CCOCC3)CCO2)o1 ZINC000093865033 218254194 /nfs/dbraw/zinc/25/41/94/218254194.db2.gz SYLBKUJFUJWSMR-FQEVSTJZSA-N 1 1 342.439 2.998 40 0 EFABMO COc1cc(C[N@@H+](C)C[C@@H]2CCOC2)c(Br)cc1O ZINC000093840416 218252714 /nfs/dbraw/zinc/25/27/14/218252714.db2.gz JIGLTPDLBYPQNM-JTQLQIEISA-N 1 1 330.222 2.632 40 0 EFABMO C[C@H](O)C[N@@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101101 218282081 /nfs/dbraw/zinc/28/20/81/218282081.db2.gz IVMIZRRGJJXTJM-SFHVURJKSA-N 1 1 343.467 2.873 40 0 EFABMO COC[C@@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccco1 ZINC000095423551 218366399 /nfs/dbraw/zinc/36/63/99/218366399.db2.gz SRKCGJMDJFGFCG-IUODEOHRSA-N 1 1 338.429 2.689 40 0 EFABMO C[C@H](C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)[NH+]1CCSCC1 ZINC000095435616 218377497 /nfs/dbraw/zinc/37/74/97/218377497.db2.gz CKAAUSZZOWAVHS-SOLBZPMBSA-N 1 1 348.512 2.708 40 0 EFABMO O=C([C@@H]1CC1(Cl)Cl)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437767 218381525 /nfs/dbraw/zinc/38/15/25/218381525.db2.gz ZHDZHVBYVPXKCK-VIFPVBQESA-N 1 1 334.634 2.577 40 0 EFABMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000007486671 210806441 /nfs/dbraw/zinc/80/64/41/210806441.db2.gz QQNWTMRFLHDRLZ-NSHDSACASA-N 1 1 335.473 2.539 40 0 EFABMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000007486671 210806443 /nfs/dbraw/zinc/80/64/43/210806443.db2.gz QQNWTMRFLHDRLZ-NSHDSACASA-N 1 1 335.473 2.539 40 0 EFABMO CCOC[C@H]1CCC2(CCN(C(=O)C3CCSCC3)CC2)[N@H+]1C ZINC000096208346 218684671 /nfs/dbraw/zinc/68/46/71/218684671.db2.gz CLWNXHXHBBLNST-MRXNPFEDSA-N 1 1 340.533 2.622 40 0 EFABMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000096489794 218866751 /nfs/dbraw/zinc/86/67/51/218866751.db2.gz DURYIIGDEGSBGQ-ZDUSSCGKSA-N 1 1 346.456 2.916 40 0 EFABMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000096489794 218866753 /nfs/dbraw/zinc/86/67/53/218866753.db2.gz DURYIIGDEGSBGQ-ZDUSSCGKSA-N 1 1 346.456 2.916 40 0 EFABMO CSc1cncc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000132299620 533067232 /nfs/dbraw/zinc/06/72/32/533067232.db2.gz QTTPLQCQJRXXKO-ZFWWWQNUSA-N 1 1 329.473 2.916 40 0 EFABMO O=C(O[C@@H]1CC[N@H+]2CCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 ZINC000005063843 210380271 /nfs/dbraw/zinc/38/02/71/210380271.db2.gz ITNRFSFKGBWFIP-RTBURBONSA-N 1 1 337.419 2.702 40 0 EFABMO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([N@H+](C)C3CCCCC3)C2=O)cc1 ZINC000005043862 210372408 /nfs/dbraw/zinc/37/24/08/210372408.db2.gz XUQLWSMKJRNVJF-QGZVFWFLSA-N 1 1 343.427 2.541 40 0 EFABMO O=C(Nc1cc(Cl)ccc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000119772847 221398002 /nfs/dbraw/zinc/39/80/02/221398002.db2.gz RYNYNEYDOKZJLU-GFCCVEGCSA-N 1 1 341.814 2.665 40 0 EFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000072227090 258064539 /nfs/dbraw/zinc/06/45/39/258064539.db2.gz LTHALKTUKXCXQS-IAGOWNOFSA-N 1 1 346.814 2.768 40 0 EFABMO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000036389773 292124022 /nfs/dbraw/zinc/12/40/22/292124022.db2.gz DIQJGOVLBDMMOU-UONOGXRCSA-N 1 1 328.453 2.675 40 0 EFABMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCSCC1 ZINC000171364611 227042630 /nfs/dbraw/zinc/04/26/30/227042630.db2.gz RFRRGTDSFPGSFP-QGZVFWFLSA-N 1 1 347.528 2.746 40 0 EFABMO C[N@@H+](CCC1OCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000123912750 222351365 /nfs/dbraw/zinc/35/13/65/222351365.db2.gz UDUITLRQYCVITD-DZGCQCFKSA-N 1 1 332.227 2.646 40 0 EFABMO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1ccncc1O ZINC000096486856 544558878 /nfs/dbraw/zinc/55/88/78/544558878.db2.gz YQTJHENKMHWDGR-QGZVFWFLSA-N 1 1 339.439 2.771 40 0 EFABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccncc1O ZINC000096486856 544558883 /nfs/dbraw/zinc/55/88/83/544558883.db2.gz YQTJHENKMHWDGR-QGZVFWFLSA-N 1 1 339.439 2.771 40 0 EFABMO Cc1cc(N2CCC([N@@H+](C)CCn3ccnc3)CC2)nc(C(C)C)n1 ZINC000096487479 544559379 /nfs/dbraw/zinc/55/93/79/544559379.db2.gz WURDGDDOCVBHEH-UHFFFAOYSA-N 1 1 342.491 2.706 40 0 EFABMO COc1cc2cccnc2c(NC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c1 ZINC000004522434 274102988 /nfs/dbraw/zinc/10/29/88/274102988.db2.gz YCWCNAAVGPTVAY-GOEBONIOSA-N 1 1 329.444 2.891 40 0 EFABMO COc1ccc(C[N@H+]2CCc3ncnc(N4CCCC4)c3CC2)cc1 ZINC000096255442 274109993 /nfs/dbraw/zinc/10/99/93/274109993.db2.gz IDCVZXYFAWUUJV-UHFFFAOYSA-N 1 1 338.455 2.686 40 0 EFABMO O=C(c1nc2c(s1)CC[N@@H+](CC1CCCC1)CC2)N1CCCC1 ZINC000096187589 275016204 /nfs/dbraw/zinc/01/62/04/275016204.db2.gz JLKJPFBEWSNGEL-UHFFFAOYSA-N 1 1 333.501 2.970 40 0 EFABMO c1ccc(O[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096107352 275068026 /nfs/dbraw/zinc/06/80/26/275068026.db2.gz DZOAMVYRYYSCCL-MJGOQNOKSA-N 1 1 325.412 2.679 40 0 EFABMO c1ccc(O[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096107353 275068137 /nfs/dbraw/zinc/06/81/37/275068137.db2.gz LGLCLGZYKHELCR-MJGOQNOKSA-N 1 1 325.412 2.679 40 0 EFABMO CN1C(=O)CCC[C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CC[C@H]21 ZINC000257289470 277006358 /nfs/dbraw/zinc/00/63/58/277006358.db2.gz PYTNUJANHKKCDG-ZWKOTPCHSA-N 1 1 326.440 2.795 40 0 EFABMO COc1cc2cc[nH+]c3c2c(c1OC)C[C@@H]1C[C@@H](O)[C@@H](OC)C[C@H]31 ZINC000005883212 277857092 /nfs/dbraw/zinc/85/70/92/277857092.db2.gz AEGFKXRLKDOCNT-OSRDXIQISA-N 1 1 329.396 2.678 40 0 EFABMO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@@H+](CC3CC3)C2)C1 ZINC000012365388 278073889 /nfs/dbraw/zinc/07/38/89/278073889.db2.gz IELQPLVYUSWBSW-FQEVSTJZSA-N 1 1 328.456 2.981 40 0 EFABMO CC(=O)N[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000195531456 278145392 /nfs/dbraw/zinc/14/53/92/278145392.db2.gz QZKUYGNCPTZHDT-CZUORRHYSA-N 1 1 344.377 2.513 40 0 EFABMO CC(=O)N[C@@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000195531456 278145394 /nfs/dbraw/zinc/14/53/94/278145394.db2.gz QZKUYGNCPTZHDT-CZUORRHYSA-N 1 1 344.377 2.513 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)N2CCCCCC2)[C@]2(C1)CCc1ccccc1C2=O ZINC000019590821 290261270 /nfs/dbraw/zinc/26/12/70/290261270.db2.gz SPTWJGWUTKFZQK-GHTZIAJQSA-N 1 1 340.467 2.766 40 0 EFABMO COC[C@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480924 293296348 /nfs/dbraw/zinc/29/63/48/293296348.db2.gz KGAPFJODYSNZGE-QYZOEREBSA-N 1 1 345.464 2.587 40 0 EFABMO CCc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000097101357 323213817 /nfs/dbraw/zinc/21/38/17/323213817.db2.gz NZIQRMDPJHDAEQ-CQSZACIVSA-N 1 1 335.423 2.574 40 0 EFABMO O[C@@H](C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)C(F)(F)F ZINC000122009443 323216176 /nfs/dbraw/zinc/21/61/76/323216176.db2.gz LHROOZIYABIULX-STQMWFEESA-N 1 1 340.349 2.574 40 0 EFABMO CCN1CC[C@H](NC2CC[NH+](C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123696474 323216486 /nfs/dbraw/zinc/21/64/86/323216486.db2.gz VGCPTLVXNDXEMQ-WMZOPIPTSA-N 1 1 341.421 2.923 40 0 EFABMO CCC[C@H]1CN(C(=O)c2cc[nH]c(=O)c2)CC[N@H+]1Cc1ccccc1 ZINC000095463281 473208900 /nfs/dbraw/zinc/20/89/00/473208900.db2.gz CXWXCXGTWTUWRM-SFHVURJKSA-N 1 1 339.439 2.502 40 0 EFABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3cccs3)n[nH]2)cc1OC ZINC000095534299 473223162 /nfs/dbraw/zinc/22/31/62/473223162.db2.gz VKZBUNWFLDHBEK-CQSZACIVSA-N 1 1 330.413 2.989 40 0 EFABMO CCOc1cc([C@H]([NH3+])c2nc(-c3ccoc3C)n[nH]2)ccc1OC ZINC000095534390 473223647 /nfs/dbraw/zinc/22/36/47/473223647.db2.gz JCBLNZDPFCHFNT-HNNXBMFYSA-N 1 1 328.372 2.829 40 0 EFABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccco3)n[nH]2)cc1OCC ZINC000095534503 473224175 /nfs/dbraw/zinc/22/41/75/473224175.db2.gz KXPPNFILYNWTRS-OAHLLOKOSA-N 1 1 328.372 2.910 40 0 EFABMO O=C(Cc1cccs1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096038567 473258678 /nfs/dbraw/zinc/25/86/78/473258678.db2.gz RGBWDKHDGVTFEF-DLBZAZTESA-N 1 1 327.453 2.561 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCCC3)C2)s1 ZINC000096038865 473258920 /nfs/dbraw/zinc/25/89/20/473258920.db2.gz SJMULVMVLQLBMI-GVDBMIGSSA-N 1 1 334.485 2.516 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cn1 ZINC000096039953 473259657 /nfs/dbraw/zinc/25/96/57/473259657.db2.gz ADQWHPHVUMRGFK-VQTJNVASSA-N 1 1 347.503 2.998 40 0 EFABMO c1cncc(OC[C@]23CCCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096039993 473260438 /nfs/dbraw/zinc/26/04/38/473260438.db2.gz HVRVWFYCULTIII-WOJBJXKFSA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(COC[C@@]23CCCO[C@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040256 473260865 /nfs/dbraw/zinc/26/08/65/473260865.db2.gz KFKDUGIPYWWTAH-PMACEKPBSA-N 1 1 346.471 2.648 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CCC3)C2)cn1 ZINC000096040282 473261962 /nfs/dbraw/zinc/26/19/62/473261962.db2.gz NPZVKGKWKHXSNQ-RTBURBONSA-N 1 1 333.476 2.608 40 0 EFABMO O=C(NCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccco2)C1 ZINC000096041285 473262222 /nfs/dbraw/zinc/26/22/22/473262222.db2.gz JWAYOTIJDABOJV-IAOVAPTHSA-N 1 1 346.452 2.637 40 0 EFABMO O=C(NCc1ccco1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096043248 473264532 /nfs/dbraw/zinc/26/45/32/473264532.db2.gz QTEFTTNHWRFLSB-UAGQMJEPSA-N 1 1 346.452 2.637 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)o1 ZINC000096043062 473265010 /nfs/dbraw/zinc/26/50/10/473265010.db2.gz HCLIESAMVZWNJW-JCGIZDLHSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@@H]3C2)o1 ZINC000096043062 473265014 /nfs/dbraw/zinc/26/50/14/473265014.db2.gz HCLIESAMVZWNJW-JCGIZDLHSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000096046356 473267439 /nfs/dbraw/zinc/26/74/39/473267439.db2.gz OJBQEPDZUAFZMT-JCGIZDLHSA-N 1 1 328.416 2.742 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)n1 ZINC000096045979 473267701 /nfs/dbraw/zinc/26/77/01/473267701.db2.gz HYTVCGDBCXWPRF-RWMBFGLXSA-N 1 1 332.429 2.756 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)n1 ZINC000096045979 473267707 /nfs/dbraw/zinc/26/77/07/473267707.db2.gz HYTVCGDBCXWPRF-RWMBFGLXSA-N 1 1 332.429 2.756 40 0 EFABMO O=C1N(Cc2ccccn2)CCC12CC[NH+](Cc1nccs1)CC2 ZINC000096046898 473268574 /nfs/dbraw/zinc/26/85/74/473268574.db2.gz ZKTINUPDUIETMS-UHFFFAOYSA-N 1 1 342.468 2.553 40 0 EFABMO CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096047408 473270017 /nfs/dbraw/zinc/27/00/17/473270017.db2.gz YVUFSBUBWBJENE-HNNXBMFYSA-N 1 1 328.503 2.528 40 0 EFABMO Cn1cc(CN2CCC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cn1 ZINC000096046978 473270160 /nfs/dbraw/zinc/27/01/60/473270160.db2.gz XCPBOJIXTOAVRZ-GOSISDBHSA-N 1 1 330.501 2.970 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096048619 473271087 /nfs/dbraw/zinc/27/10/87/473271087.db2.gz ITPMRASWTIXKQB-GOSISDBHSA-N 1 1 342.468 2.553 40 0 EFABMO c1cncc(O[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096048265 473272026 /nfs/dbraw/zinc/27/20/26/473272026.db2.gz FPHUCWOELQBEQG-OALUTQOASA-N 1 1 325.412 2.679 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 ZINC000096048178 473272537 /nfs/dbraw/zinc/27/25/37/473272537.db2.gz LJPPRQLPFMBQDS-HKUYNNGSSA-N 1 1 344.434 2.795 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 ZINC000096048178 473272543 /nfs/dbraw/zinc/27/25/43/473272543.db2.gz LJPPRQLPFMBQDS-HKUYNNGSSA-N 1 1 344.434 2.795 40 0 EFABMO Cc1nc(CN2C[C@@]3(CC[N@@H+](Cc4ccoc4)C3)CC2=O)cs1 ZINC000096050898 473273127 /nfs/dbraw/zinc/27/31/27/473273127.db2.gz KZVAXJMAOTZCKC-KRWDZBQOSA-N 1 1 331.441 2.669 40 0 EFABMO O=C(NCC1CC1)[C@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052135 473275194 /nfs/dbraw/zinc/27/51/94/473275194.db2.gz LKXKMDISYSVDPV-GOSISDBHSA-N 1 1 346.446 2.581 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3ccncc3)C2)CN1c1cccc(F)c1 ZINC000096050733 473273722 /nfs/dbraw/zinc/27/37/22/473273722.db2.gz MMFCQBTUOMEUQQ-IBGZPJMESA-N 1 1 325.387 2.850 40 0 EFABMO Cc1nc(CN2C[C@]3(CC[N@@H+](Cc4ccoc4)C3)CC2=O)cs1 ZINC000096050899 473274197 /nfs/dbraw/zinc/27/41/97/473274197.db2.gz KZVAXJMAOTZCKC-QGZVFWFLSA-N 1 1 331.441 2.669 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096050499 473274377 /nfs/dbraw/zinc/27/43/77/473274377.db2.gz YGMOTNAAZOLNDH-SFHVURJKSA-N 1 1 327.453 2.768 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](CC3CCOCC3)C2)CN1c1cccc(F)c1 ZINC000096050753 473274511 /nfs/dbraw/zinc/27/45/11/473274511.db2.gz XRDFXTRDRAEUFY-IBGZPJMESA-N 1 1 332.419 2.681 40 0 EFABMO CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096051980 473275242 /nfs/dbraw/zinc/27/52/42/473275242.db2.gz JIPAKPKOORNZOM-MSOLQXFVSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096051980 473275248 /nfs/dbraw/zinc/27/52/48/473275248.db2.gz JIPAKPKOORNZOM-MSOLQXFVSA-N 1 1 338.517 2.696 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)s1 ZINC000096053931 473275929 /nfs/dbraw/zinc/27/59/29/473275929.db2.gz GEXLIMJDIPTMLO-BETUJISGSA-N 1 1 333.482 2.717 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)o1 ZINC000096055085 473278315 /nfs/dbraw/zinc/27/83/15/473278315.db2.gz GJNBJGJWLCNZOD-ICSRJNTNSA-N 1 1 341.455 2.767 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)o1 ZINC000096055083 473278771 /nfs/dbraw/zinc/27/87/71/473278771.db2.gz GJNBJGJWLCNZOD-QUCCMNQESA-N 1 1 341.455 2.767 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4cccnc4)C(=O)[C@H]3C2)s1 ZINC000096054635 473278920 /nfs/dbraw/zinc/27/89/20/473278920.db2.gz QZRYCWRUUPXBCV-WMZOPIPTSA-N 1 1 341.480 2.932 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)o1 ZINC000096055082 473279454 /nfs/dbraw/zinc/27/94/54/473279454.db2.gz GJNBJGJWLCNZOD-UYAOXDASSA-N 1 1 341.455 2.767 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096057138 473280590 /nfs/dbraw/zinc/28/05/90/473280590.db2.gz ABWPSZBYSIHGNF-IPELMVKDSA-N 1 1 330.428 2.984 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3ccncc3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096058128 473280767 /nfs/dbraw/zinc/28/07/67/473280767.db2.gz NWAAVQSRBRPVHH-IPMKNSEASA-N 1 1 328.412 2.932 40 0 EFABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccncc1)C2 ZINC000096059948 473282913 /nfs/dbraw/zinc/28/29/13/473282913.db2.gz ZCFUGCRLSDACJD-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccncc1)C2 ZINC000096059948 473282921 /nfs/dbraw/zinc/28/29/21/473282921.db2.gz ZCFUGCRLSDACJD-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[N@@H+](C)Cc1cccnc1 ZINC000096063720 473287335 /nfs/dbraw/zinc/28/73/35/473287335.db2.gz PSMGYCXHCXOEDX-DBDQLMEASA-N 1 1 327.472 2.797 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096065531 473287392 /nfs/dbraw/zinc/28/73/92/473287392.db2.gz JROKTLQZIXEWNB-BRWVUGGUSA-N 1 1 343.452 2.904 40 0 EFABMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc4c(c3)OCO4)O2)n1 ZINC000096065515 473287451 /nfs/dbraw/zinc/28/74/51/473287451.db2.gz PTMKBLQUXJAPKM-IIAWOOMASA-N 1 1 343.383 2.601 40 0 EFABMO Cc1cccc(COCc2cncc3c2CC[N@@H+]([C@@H]2CCOC2)C3)n1 ZINC000096067387 473288074 /nfs/dbraw/zinc/28/80/74/473288074.db2.gz AMXKJGRWJXJDNL-LJQANCHMSA-N 1 1 339.439 2.649 40 0 EFABMO Cc1cccc(COCc2cncc3c2CC[N@H+]([C@@H]2CCOC2)C3)n1 ZINC000096067387 473288078 /nfs/dbraw/zinc/28/80/78/473288078.db2.gz AMXKJGRWJXJDNL-LJQANCHMSA-N 1 1 339.439 2.649 40 0 EFABMO COCCO[C@H]1CC[N@@H+](Cc2ccc(C)s2)[C@H]1Cc1cnn(C)c1 ZINC000096061641 473285442 /nfs/dbraw/zinc/28/54/42/473285442.db2.gz OVBFLGAHHBCJEM-ROUUACIJSA-N 1 1 349.500 2.639 40 0 EFABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076255 473290440 /nfs/dbraw/zinc/29/04/40/473290440.db2.gz AWZLXMTXKQSXHK-HXUWFJFHSA-N 1 1 330.472 2.579 40 0 EFABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096076486 473290721 /nfs/dbraw/zinc/29/07/21/473290721.db2.gz IWSNRABRJOUOJT-FQEVSTJZSA-N 1 1 341.455 2.742 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291371 /nfs/dbraw/zinc/29/13/71/473291371.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 1 1 346.450 2.758 40 0 EFABMO Cc1ccc(CN2CC[C@H](F)[C@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291372 /nfs/dbraw/zinc/29/13/72/473291372.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 1 1 346.450 2.758 40 0 EFABMO Cc1ccc(CN2CC[C@H](F)[C@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078740 473291381 /nfs/dbraw/zinc/29/13/81/473291381.db2.gz OQAPZIMNYAKCNM-RBUKOAKNSA-N 1 1 346.450 2.758 40 0 EFABMO Cn1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)Nc1ccccc1)C2 ZINC000096084517 473292428 /nfs/dbraw/zinc/29/24/28/473292428.db2.gz JYFCMXBSNAMKFA-UHFFFAOYSA-N 1 1 339.443 2.954 40 0 EFABMO O=C(c1ccncc1)N1C[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2C1 ZINC000096081018 473293001 /nfs/dbraw/zinc/29/30/01/473293001.db2.gz DVNPBLBFYUDMJF-BGYRXZFFSA-N 1 1 335.451 2.718 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096093130 473293133 /nfs/dbraw/zinc/29/31/33/473293133.db2.gz WGBMNJFLCDDFLK-YOEHRIQHSA-N 1 1 348.447 2.831 40 0 EFABMO O=C(c1ccncc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096100629 473295898 /nfs/dbraw/zinc/29/58/98/473295898.db2.gz BWBWBXDAQQUCDI-FQEVSTJZSA-N 1 1 336.439 2.605 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CC[N@@H+](CC3CCC3)C[C@@H]21 ZINC000096100079 473296661 /nfs/dbraw/zinc/29/66/61/473296661.db2.gz ICYGWVPFWZJNAX-KZNAEPCWSA-N 1 1 348.512 2.891 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)o1 ZINC000096107609 473300254 /nfs/dbraw/zinc/30/02/54/473300254.db2.gz TUWWBKHNUBEHGN-OALUTQOASA-N 1 1 328.412 2.933 40 0 EFABMO c1ccc(O[C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)nc1 ZINC000096107549 473300861 /nfs/dbraw/zinc/30/08/61/473300861.db2.gz BZYKETGCWGIXIO-HKUYNNGSSA-N 1 1 332.444 2.511 40 0 EFABMO c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)c1 ZINC000096108946 473302196 /nfs/dbraw/zinc/30/21/96/473302196.db2.gz DCFQBGSDXLPDJY-SJLPKXTDSA-N 1 1 330.453 2.808 40 0 EFABMO Cc1occc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096110938 473303296 /nfs/dbraw/zinc/30/32/96/473303296.db2.gz IWIRKJPIJFGMQW-DOTOQJQBSA-N 1 1 346.452 2.623 40 0 EFABMO Cn1cc(-c2cc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccco3)on2)cn1 ZINC000185023998 473303980 /nfs/dbraw/zinc/30/39/80/473303980.db2.gz MZIYYOPIOIVPCF-YOEHRIQHSA-N 1 1 342.399 2.756 40 0 EFABMO O=C1[C@@H]2C[C@@H](C[N@@H+]2CC2CC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111860 473305905 /nfs/dbraw/zinc/30/59/05/473305905.db2.gz HTHLLDWYTHQZOO-HKUYNNGSSA-N 1 1 349.434 2.860 40 0 biogenic,in-vitro EFABMO O=C1[C@@H]2C[C@@H](C[N@H+]2CC2CC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111860 473305908 /nfs/dbraw/zinc/30/59/08/473305908.db2.gz HTHLLDWYTHQZOO-HKUYNNGSSA-N 1 1 349.434 2.860 40 0 biogenic,in-vitro EFABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096159653 473319753 /nfs/dbraw/zinc/31/97/53/473319753.db2.gz ILUXHUALXHTBBI-FQEVSTJZSA-N 1 1 339.414 2.845 40 0 EFABMO O=C(c1ccnnc1)N1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000096157443 473315957 /nfs/dbraw/zinc/31/59/57/473315957.db2.gz CHWITKOIELCEFO-UHFFFAOYSA-N 1 1 342.468 2.666 40 0 EFABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccn1C)CC2 ZINC000096158675 473318181 /nfs/dbraw/zinc/31/81/81/473318181.db2.gz RFBWHFHTJMMWPG-SFHVURJKSA-N 1 1 343.471 2.874 40 0 EFABMO O=C(c1ccoc1)N1CC[N@H+]2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000096183579 473324273 /nfs/dbraw/zinc/32/42/73/473324273.db2.gz PLIVAQIUDTYBAI-DLBZAZTESA-N 1 1 344.386 2.534 40 0 EFABMO Cn1cc(CN2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@@H+](C)Cc2ccncc2)cn1 ZINC000096183082 473324395 /nfs/dbraw/zinc/32/43/95/473324395.db2.gz ADHYITZDOBGGLQ-AABGKKOBSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096183082 473324433 /nfs/dbraw/zinc/32/44/33/473324433.db2.gz ADHYITZDOBGGLQ-AABGKKOBSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096183082 473324438 /nfs/dbraw/zinc/32/44/38/473324438.db2.gz ADHYITZDOBGGLQ-AABGKKOBSA-N 1 1 339.487 2.548 40 0 EFABMO Cn1cc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2ccncc2)cn1 ZINC000096183085 473325004 /nfs/dbraw/zinc/32/50/04/473325004.db2.gz ADHYITZDOBGGLQ-HSALFYBXSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096183085 473325023 /nfs/dbraw/zinc/32/50/23/473325023.db2.gz ADHYITZDOBGGLQ-HSALFYBXSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096183085 473325024 /nfs/dbraw/zinc/32/50/24/473325024.db2.gz ADHYITZDOBGGLQ-HSALFYBXSA-N 1 1 339.487 2.548 40 0 EFABMO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4ccccn4)CC[N@H+]3C2)c1 ZINC000096183537 473325088 /nfs/dbraw/zinc/32/50/88/473325088.db2.gz DSUWTUWTDJPZJT-PKOBYXMFSA-N 1 1 327.403 2.558 40 0 EFABMO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]21)c1ccsc1 ZINC000096185476 473325576 /nfs/dbraw/zinc/32/55/76/473325576.db2.gz XBODSJALCYWQEE-RRQGHBQHSA-N 1 1 346.452 2.608 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccc(C)n2)o1 ZINC000096184688 473326396 /nfs/dbraw/zinc/32/63/96/473326396.db2.gz AHLIFOHKVOHUIZ-ZWKOTPCHSA-N 1 1 325.412 2.780 40 0 EFABMO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c(C)o1 ZINC000096184654 473326452 /nfs/dbraw/zinc/32/64/52/473326452.db2.gz ZCILQIZYSOFGBR-ZWKOTPCHSA-N 1 1 325.412 2.780 40 0 EFABMO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(C)o1 ZINC000096184654 473326455 /nfs/dbraw/zinc/32/64/55/473326455.db2.gz ZCILQIZYSOFGBR-ZWKOTPCHSA-N 1 1 325.412 2.780 40 0 EFABMO CCc1cnc(N2C[C@H]([N@H+](C)Cc3ccco3)[C@@H]3OCCC[C@@H]32)nc1 ZINC000096185978 473326748 /nfs/dbraw/zinc/32/67/48/473326748.db2.gz FHVHHPRZMYWPCT-OKZBNKHCSA-N 1 1 342.443 2.500 40 0 EFABMO CCc1cnc(N2C[C@H]([N@@H+](C)Cc3ccco3)[C@@H]3OCCC[C@@H]32)nc1 ZINC000096185978 473326754 /nfs/dbraw/zinc/32/67/54/473326754.db2.gz FHVHHPRZMYWPCT-OKZBNKHCSA-N 1 1 342.443 2.500 40 0 EFABMO O=C(NC[C@@H]1OC[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21)c1ccco1 ZINC000096185310 473327906 /nfs/dbraw/zinc/32/79/06/473327906.db2.gz WPXAEYYBBHJBFQ-UNEWFSDZSA-N 1 1 346.452 2.608 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)n1 ZINC000096186781 473329214 /nfs/dbraw/zinc/32/92/14/473329214.db2.gz VYVIRBVCUZDQQS-IKGGRYGDSA-N 1 1 345.468 2.877 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccncc4)CC[C@@H]32)n1 ZINC000096186781 473329218 /nfs/dbraw/zinc/32/92/18/473329218.db2.gz VYVIRBVCUZDQQS-IKGGRYGDSA-N 1 1 345.468 2.877 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC000096186795 473329523 /nfs/dbraw/zinc/32/95/23/473329523.db2.gz AFUVCZBNVZUJFI-IKGGRYGDSA-N 1 1 345.468 2.877 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC000096186795 473329527 /nfs/dbraw/zinc/32/95/27/473329527.db2.gz AFUVCZBNVZUJFI-IKGGRYGDSA-N 1 1 345.468 2.877 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@@H+](Cc1ccncc1)C2 ZINC000096189178 473330632 /nfs/dbraw/zinc/33/06/32/473330632.db2.gz VJLPPLGOCYSIIK-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@H+](Cc1ccncc1)C2 ZINC000096189178 473330636 /nfs/dbraw/zinc/33/06/36/473330636.db2.gz VJLPPLGOCYSIIK-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc(CC[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccn1 ZINC000124980805 473336082 /nfs/dbraw/zinc/33/60/82/473336082.db2.gz CUUVZYSXIXRRJS-KRWDZBQOSA-N 1 1 325.460 2.822 40 0 EFABMO Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(C(=O)C1CCC1)C2 ZINC000096199092 473336093 /nfs/dbraw/zinc/33/60/93/473336093.db2.gz JNEONMSNYQHHSP-UHFFFAOYSA-N 1 1 336.439 2.934 40 0 EFABMO c1cc(C[N@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)cs1 ZINC000096202239 473336828 /nfs/dbraw/zinc/33/68/28/473336828.db2.gz CFGUUHJPVMDXRR-SFHVURJKSA-N 1 1 329.469 2.872 40 0 EFABMO COc1ccc(CN2CCn3c(C[N@@H+](C)C(C)C)cnc3C2)cc1 ZINC000096201058 473337747 /nfs/dbraw/zinc/33/77/47/473337747.db2.gz QOZVYTBVEBQCDV-UHFFFAOYSA-N 1 1 328.460 2.748 40 0 EFABMO c1csc(C[N@@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)c1 ZINC000096202202 473339323 /nfs/dbraw/zinc/33/93/23/473339323.db2.gz AAGZFMOUTLSMBO-QGZVFWFLSA-N 1 1 349.525 2.929 40 0 EFABMO COc1cc(OC)cc([C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)c1 ZINC000083249869 473339419 /nfs/dbraw/zinc/33/94/19/473339419.db2.gz QOPJUWQDWGQKGW-BEFAXECRSA-N 1 1 340.423 2.720 40 0 EFABMO COc1cc(OC)cc([C@H]2CC[N@H+]([C@H](C(N)=O)c3ccccc3)C2)c1 ZINC000083249870 473340445 /nfs/dbraw/zinc/34/04/45/473340445.db2.gz QOPJUWQDWGQKGW-KXBFYZLASA-N 1 1 340.423 2.720 40 0 EFABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)c1ccco1 ZINC000096205959 473341299 /nfs/dbraw/zinc/34/12/99/473341299.db2.gz PIACLUGHOJPHJY-CRAIPNDOSA-N 1 1 346.452 2.895 40 0 EFABMO Cc1cc(CN2CCC3(C[C@@H](COCC4CC4)[N@@H+](C)C3)CC2)no1 ZINC000096206397 473341405 /nfs/dbraw/zinc/34/14/05/473341405.db2.gz ULOCGRWIRWZIGG-SFHVURJKSA-N 1 1 333.476 2.696 40 0 EFABMO O=C(COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccoc1)C2)N1CCCC1 ZINC000096207090 473343747 /nfs/dbraw/zinc/34/37/47/473343747.db2.gz GHNCEQVPBFABGI-MJGOQNOKSA-N 1 1 332.444 2.521 40 0 EFABMO COC[C@@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@H+]1CC1CC1 ZINC000096207351 473341965 /nfs/dbraw/zinc/34/19/65/473341965.db2.gz DACRIBDLQZOVCK-SFHVURJKSA-N 1 1 332.488 2.835 40 0 EFABMO COC[C@H]1CCC2(CCN(C(=O)C3CC=CC3)CC2)[N@H+]1CC1CC1 ZINC000096207352 473342666 /nfs/dbraw/zinc/34/26/66/473342666.db2.gz DACRIBDLQZOVCK-GOSISDBHSA-N 1 1 332.488 2.835 40 0 EFABMO c1csc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)n1 ZINC000096209222 473345314 /nfs/dbraw/zinc/34/53/14/473345314.db2.gz ATZIIQXYDBEOOZ-RHSMWYFYSA-N 1 1 330.457 2.774 40 0 EFABMO c1csc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)n1 ZINC000096209222 473345322 /nfs/dbraw/zinc/34/53/22/473345322.db2.gz ATZIIQXYDBEOOZ-RHSMWYFYSA-N 1 1 330.457 2.774 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21)NCc1cccs1 ZINC000096208634 473345453 /nfs/dbraw/zinc/34/54/53/473345453.db2.gz AKGKPJKZWHJWPF-OIISXLGYSA-N 1 1 334.485 2.501 40 0 EFABMO O=C(C1CCC1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC000096216309 473347569 /nfs/dbraw/zinc/34/75/69/473347569.db2.gz VXHUYHLXWZAGOU-PZJWPPBQSA-N 1 1 346.515 2.774 40 0 EFABMO Cn1cccc1C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2cccnc2)C1 ZINC000096214902 473347868 /nfs/dbraw/zinc/34/78/68/473347868.db2.gz VRQWZIQBWLJYRX-HXUWFJFHSA-N 1 1 338.455 2.691 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@H]2OC[C@@H](COc3ccncc3)[C@H]2C1 ZINC000096216559 473349008 /nfs/dbraw/zinc/34/90/08/473349008.db2.gz ZFNCDBKVEXEACW-DJIMGWMZSA-N 1 1 330.453 2.977 40 0 EFABMO CC[N@H+]1C[C@H](COC)[C@]2(CCN(C(=O)c3cc4ccccc4o3)C2)C1 ZINC000096217841 473350305 /nfs/dbraw/zinc/35/03/05/473350305.db2.gz ZNODPPWYLOXEJV-OXQOHEQNSA-N 1 1 342.439 2.863 40 0 EFABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(Cc1ccc3ccccc3n1)C2 ZINC000096217919 473350494 /nfs/dbraw/zinc/35/04/94/473350494.db2.gz QCIHNZJPPNJGQP-FXAWDEMLSA-N 1 1 325.456 2.635 40 0 EFABMO COc1cc(N2CCC[C@]3(CC[N@@H+](Cc4ccoc4)C3)C2)ncn1 ZINC000096216500 473350619 /nfs/dbraw/zinc/35/06/19/473350619.db2.gz ITCAQMSCZCLZRM-GOSISDBHSA-N 1 1 328.416 2.571 40 0 EFABMO O=C(C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]12)Nc1cccnc1 ZINC000096218920 473350965 /nfs/dbraw/zinc/35/09/65/473350965.db2.gz BODVDXAFIMPQCW-KBRIMQKVSA-N 1 1 343.452 2.619 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)o1 ZINC000096219302 473351833 /nfs/dbraw/zinc/35/18/33/473351833.db2.gz AWUXNYMOXHREEV-OTWHNJEPSA-N 1 1 328.412 2.932 40 0 EFABMO Fc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096219659 473352121 /nfs/dbraw/zinc/35/21/21/473352121.db2.gz FLEVCERPNJKUPS-FUHWJXTLSA-N 1 1 346.381 2.600 40 0 EFABMO Cc1nnc(N2CCC3(C[C@H](COCC4CC4)[N@@H+](C)C3)CC2)s1 ZINC000096220784 473353462 /nfs/dbraw/zinc/35/34/62/473353462.db2.gz HVHZKCOPSHQRFX-OAHLLOKOSA-N 1 1 336.505 2.564 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccccc1)C2 ZINC000096219912 473353565 /nfs/dbraw/zinc/35/35/65/473353565.db2.gz ZVMUGAHXQGWYKI-UYAOXDASSA-N 1 1 328.456 2.507 40 0 EFABMO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096224437 473355225 /nfs/dbraw/zinc/35/52/25/473355225.db2.gz RBJUKRQIBOUTGU-LJQANCHMSA-N 1 1 325.412 2.689 40 0 EFABMO Fc1cccnc1N[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000096223003 473355605 /nfs/dbraw/zinc/35/56/05/473355605.db2.gz QPMYOHBLITWRLZ-QFBILLFUSA-N 1 1 342.418 2.851 40 0 EFABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)s1 ZINC000096224635 473355627 /nfs/dbraw/zinc/35/56/27/473355627.db2.gz YLZPALMURUOYER-GOSISDBHSA-N 1 1 344.484 2.809 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096224525 473356036 /nfs/dbraw/zinc/35/60/36/473356036.db2.gz FUSXUWQQOPAMDV-HXUWFJFHSA-N 1 1 336.439 2.804 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@]2(C[C@H](Nc3ccccc3)CO2)C1 ZINC000096222695 473356210 /nfs/dbraw/zinc/35/62/10/473356210.db2.gz QVYJAAIUHHELSC-HKUYNNGSSA-N 1 1 326.444 2.656 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@]2(C[C@H](Nc3ccccc3)CO2)C1 ZINC000096222695 473356218 /nfs/dbraw/zinc/35/62/18/473356218.db2.gz QVYJAAIUHHELSC-HKUYNNGSSA-N 1 1 326.444 2.656 40 0 EFABMO Fc1cnc(N2CCC[C@]3(C2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC000096226578 473356962 /nfs/dbraw/zinc/35/69/62/473356962.db2.gz YQHPBGCSJBNRLM-QGZVFWFLSA-N 1 1 348.447 2.549 40 0 EFABMO Fc1cnc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC000096226578 473356969 /nfs/dbraw/zinc/35/69/69/473356969.db2.gz YQHPBGCSJBNRLM-QGZVFWFLSA-N 1 1 348.447 2.549 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1CCC2(CCN(C(=O)c3cccnc3)CC2)CO1 ZINC000096224948 473357298 /nfs/dbraw/zinc/35/72/98/473357298.db2.gz FQZRRQFOEMBVDK-SFHVURJKSA-N 1 1 345.487 2.823 40 0 EFABMO O=C(Nc1cccnc1)C1=NO[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC000096226046 473357588 /nfs/dbraw/zinc/35/75/88/473357588.db2.gz DSPZUUUFGCXVBM-LJQANCHMSA-N 1 1 342.443 2.821 40 0 EFABMO c1csc(N2CCOC[C@]3(CCC[N@H+](Cc4cccnc4)C3)C2)n1 ZINC000096229235 473358821 /nfs/dbraw/zinc/35/88/21/473358821.db2.gz DFBFNUDYBGWTEC-SFHVURJKSA-N 1 1 344.484 2.657 40 0 EFABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228753 473359349 /nfs/dbraw/zinc/35/93/49/473359349.db2.gz YUDPOOJHOYTQKR-SFHVURJKSA-N 1 1 336.501 2.640 40 0 EFABMO O=C(c1ccc(F)cc1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228817 473359386 /nfs/dbraw/zinc/35/93/86/473359386.db2.gz GKBHLEQJIIVECJ-HXUWFJFHSA-N 1 1 346.446 2.790 40 0 EFABMO Cc1cnc(N2CC[C@H](F)[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)nc1 ZINC000096241253 473362177 /nfs/dbraw/zinc/36/21/77/473362177.db2.gz XUYSOBWSOWHXHL-WMZOPIPTSA-N 1 1 330.407 2.819 40 0 EFABMO CNC(=O)c1cc2c(nc1NC(C)C)CC[N@@H+](CCC(C)C)CC2 ZINC000096260421 473367321 /nfs/dbraw/zinc/36/73/21/473367321.db2.gz ZTPZOWMAWWXBDC-UHFFFAOYSA-N 1 1 332.492 2.708 40 0 EFABMO CC(C)C[N@H+]1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 ZINC000096260583 473367592 /nfs/dbraw/zinc/36/75/92/473367592.db2.gz AMRUAMABMRNZQC-UHFFFAOYSA-N 1 1 344.503 2.662 40 0 EFABMO c1coc(C[N@@H+]2CC[C@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249374 473363563 /nfs/dbraw/zinc/36/35/63/473363563.db2.gz PNQTYYMGKCOXSE-RBUKOAKNSA-N 1 1 327.428 2.540 40 0 EFABMO Cc1ccc(CN2CCO[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]32)o1 ZINC000096248790 473364183 /nfs/dbraw/zinc/36/41/83/473364183.db2.gz BDSAPHSJUKECJZ-MOPGFXCFSA-N 1 1 330.403 2.812 40 0 EFABMO Cc1ccc(CN2CCO[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)o1 ZINC000096248790 473364193 /nfs/dbraw/zinc/36/41/93/473364193.db2.gz BDSAPHSJUKECJZ-MOPGFXCFSA-N 1 1 330.403 2.812 40 0 EFABMO Cc1nc(C[N@@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cs1 ZINC000096255315 473365866 /nfs/dbraw/zinc/36/58/66/473365866.db2.gz NZDDCPHVLFHWKH-UHFFFAOYSA-N 1 1 337.452 2.904 40 0 EFABMO Cc1nc(C[N@H+]2CCc3ncnc(-c4cccnc4)c3CC2)cs1 ZINC000096255315 473365871 /nfs/dbraw/zinc/36/58/71/473365871.db2.gz NZDDCPHVLFHWKH-UHFFFAOYSA-N 1 1 337.452 2.904 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255273 473366141 /nfs/dbraw/zinc/36/61/41/473366141.db2.gz PLZVKQCTQVCTSV-UHFFFAOYSA-N 1 1 337.402 2.617 40 0 EFABMO Cn1ccnc1C[N@H+]1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255273 473366147 /nfs/dbraw/zinc/36/61/47/473366147.db2.gz PLZVKQCTQVCTSV-UHFFFAOYSA-N 1 1 337.402 2.617 40 0 EFABMO Cc1nc(C[N@@H+]2CCc3nc(N4CCCC4)nc(C)c3CC2)cs1 ZINC000096254728 473366644 /nfs/dbraw/zinc/36/66/44/473366644.db2.gz OBQMHZLDGQCGOE-UHFFFAOYSA-N 1 1 343.500 2.751 40 0 EFABMO Cc1nc(C[N@H+]2CCc3nc(N4CCCC4)nc(C)c3CC2)cs1 ZINC000096254728 473366654 /nfs/dbraw/zinc/36/66/54/473366654.db2.gz OBQMHZLDGQCGOE-UHFFFAOYSA-N 1 1 343.500 2.751 40 0 EFABMO Cc1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)s1 ZINC000096258981 473368169 /nfs/dbraw/zinc/36/81/69/473368169.db2.gz MSGIDSAMYTZYKS-UHFFFAOYSA-N 1 1 332.473 2.981 40 0 EFABMO Cc1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)s1 ZINC000096258981 473368177 /nfs/dbraw/zinc/36/81/77/473368177.db2.gz MSGIDSAMYTZYKS-UHFFFAOYSA-N 1 1 332.473 2.981 40 0 EFABMO COc1ccc([C@@H](C)NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1F ZINC000096404180 473381443 /nfs/dbraw/zinc/38/14/43/473381443.db2.gz QBYBMEIHVNAGEZ-UKRRQHHQSA-N 1 1 335.423 2.775 40 0 EFABMO CCOC(=O)Nc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000096404170 473380236 /nfs/dbraw/zinc/38/02/36/473380236.db2.gz WITMHNFXCVBMCE-MRXNPFEDSA-N 1 1 346.431 2.957 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1cccnc1 ZINC000096407621 473385489 /nfs/dbraw/zinc/38/54/89/473385489.db2.gz QHPXNKXRGHIMAE-WHJOBHEISA-N 1 1 336.439 2.517 40 0 EFABMO O[C@H](Cn1cccn1)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407688 473386121 /nfs/dbraw/zinc/38/61/21/473386121.db2.gz CNCVKLULJJGXTR-JKSUJKDBSA-N 1 1 337.876 2.688 40 0 EFABMO O[C@H](Cn1cccn1)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407688 473386128 /nfs/dbraw/zinc/38/61/28/473386128.db2.gz CNCVKLULJJGXTR-JKSUJKDBSA-N 1 1 337.876 2.688 40 0 EFABMO CC(=O)N(C)c1ccc(NC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000096410620 473389097 /nfs/dbraw/zinc/38/90/97/473389097.db2.gz UYVORVGCEMBVKZ-UHFFFAOYSA-N 1 1 332.448 2.665 40 0 EFABMO CSc1nc2ncn(Cc3cn4c(cccc4C)[nH+]3)c(=O)c2s1 ZINC000096410870 473389568 /nfs/dbraw/zinc/38/95/68/473389568.db2.gz QPRSSYLUDIUBEJ-UHFFFAOYSA-N 1 1 343.437 2.579 40 0 EFABMO C[C@@H]1SCC[N@H+](CC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000096411378 473390711 /nfs/dbraw/zinc/39/07/11/473390711.db2.gz HPSMFKJRMXIOAS-KXBFYZLASA-N 1 1 341.480 2.876 40 0 EFABMO C[C@@H]1SCC[N@@H+](CC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000096411378 473390715 /nfs/dbraw/zinc/39/07/15/473390715.db2.gz HPSMFKJRMXIOAS-KXBFYZLASA-N 1 1 341.480 2.876 40 0 EFABMO C[C@H]1SCC[N@H+](CC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000096411377 473390876 /nfs/dbraw/zinc/39/08/76/473390876.db2.gz HPSMFKJRMXIOAS-BEFAXECRSA-N 1 1 341.480 2.876 40 0 EFABMO C[C@H]1SCC[N@@H+](CC(=O)NCc2ccccn2)[C@@H]1c1ccccc1 ZINC000096411377 473390885 /nfs/dbraw/zinc/39/08/85/473390885.db2.gz HPSMFKJRMXIOAS-BEFAXECRSA-N 1 1 341.480 2.876 40 0 EFABMO c1ccc(-n2nnnc2SCCNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000001807215 471398123 /nfs/dbraw/zinc/39/81/23/471398123.db2.gz CGVITWMYEGHADS-UHFFFAOYSA-N 1 1 337.412 2.743 40 0 EFABMO COC(=O)[C@H]1C[C@]23CCC[N@H+]4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 ZINC000005393820 471503225 /nfs/dbraw/zinc/50/32/25/471503225.db2.gz IYLRRIUNGGQRTN-JUHPOPGZSA-N 1 1 338.451 2.930 40 0 biogenic,in-vitro EFABMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000007436765 471614525 /nfs/dbraw/zinc/61/45/25/471614525.db2.gz NAWGOABQFTUZPP-ZDUSSCGKSA-N 1 1 345.395 2.582 40 0 EFABMO CO[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@@H+]2C)C1 ZINC000012142306 471766580 /nfs/dbraw/zinc/76/65/80/471766580.db2.gz HVSGHHYDGVBSCP-CIQGVGRVSA-N 1 1 335.473 2.978 40 0 EFABMO CO[C@@H]1CCC[C@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@H+]2C)C1 ZINC000012142306 471766587 /nfs/dbraw/zinc/76/65/87/471766587.db2.gz HVSGHHYDGVBSCP-CIQGVGRVSA-N 1 1 335.473 2.978 40 0 EFABMO Cc1c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cnn1C ZINC000012187391 471768282 /nfs/dbraw/zinc/76/82/82/471768282.db2.gz JMASTMXWYRRLNN-QGZVFWFLSA-N 1 1 343.427 2.638 40 0 EFABMO Cc1c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)cnn1C ZINC000012187391 471768285 /nfs/dbraw/zinc/76/82/85/471768285.db2.gz JMASTMXWYRRLNN-QGZVFWFLSA-N 1 1 343.427 2.638 40 0 EFABMO c1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cs1 ZINC000013268344 471823849 /nfs/dbraw/zinc/82/38/49/471823849.db2.gz HIDIVRVCPMDIBL-WMLDXEAASA-N 1 1 342.468 2.637 40 0 EFABMO c1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cs1 ZINC000013268344 471823856 /nfs/dbraw/zinc/82/38/56/471823856.db2.gz HIDIVRVCPMDIBL-WMLDXEAASA-N 1 1 342.468 2.637 40 0 EFABMO c1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000013569028 471833980 /nfs/dbraw/zinc/83/39/80/471833980.db2.gz DDWLFKKECFIRTK-UHFFFAOYSA-N 1 1 325.456 2.806 40 0 EFABMO CC(C)c1ccc(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000017067555 471954639 /nfs/dbraw/zinc/95/46/39/471954639.db2.gz DVFBSNHJPJFBLZ-ULQDDVLXSA-N 1 1 329.444 2.538 40 0 EFABMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000019079190 471976563 /nfs/dbraw/zinc/97/65/63/471976563.db2.gz XXZZFTWLJBTBND-XJKSGUPXSA-N 1 1 332.835 2.613 40 0 EFABMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000019079190 471976566 /nfs/dbraw/zinc/97/65/66/471976566.db2.gz XXZZFTWLJBTBND-XJKSGUPXSA-N 1 1 332.835 2.613 40 0 EFABMO CC(C)n1cc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)c2ccccc21 ZINC000019575997 471981898 /nfs/dbraw/zinc/98/18/98/471981898.db2.gz JXEUDKUXUWNLLD-CGTJXYLNSA-N 1 1 327.472 2.862 40 0 EFABMO Cn1nccc1CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000019658618 471983078 /nfs/dbraw/zinc/98/30/78/471983078.db2.gz NYWPEGDCTNAFTD-UHFFFAOYSA-N 1 1 341.846 2.944 40 0 EFABMO CNc1nc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)nc2c1CCNC2 ZINC000019711337 471983577 /nfs/dbraw/zinc/98/35/77/471983577.db2.gz QZOHRZTUMPEVEC-OAHLLOKOSA-N 1 1 341.503 2.700 40 0 EFABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2Cc1c(C)nc2sccn12 ZINC000019712543 471984037 /nfs/dbraw/zinc/98/40/37/471984037.db2.gz NFJRJBBDZPNGSU-HUUCEWRRSA-N 1 1 332.473 2.680 40 0 EFABMO C[C@H](C[NH+]1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C ZINC000019719945 471984672 /nfs/dbraw/zinc/98/46/72/471984672.db2.gz MQOJIJPCRNXALD-MRXNPFEDSA-N 1 1 340.471 2.826 40 0 EFABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnc(C(C)C)nc1 ZINC000019712484 471984842 /nfs/dbraw/zinc/98/48/42/471984842.db2.gz WZHJWYOXAAQLEK-MSOLQXFVSA-N 1 1 330.476 2.965 40 0 EFABMO CC[NH+]1CCN([C@@H](c2cccs2)c2nnnn2C(C)(C)CC)CC1 ZINC000035310862 471995121 /nfs/dbraw/zinc/99/51/21/471995121.db2.gz AHUVTIIOAFOFCO-HNNXBMFYSA-N 1 1 348.520 2.607 40 0 EFABMO S=C(N[C@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021841829 472005231 /nfs/dbraw/zinc/00/52/31/472005231.db2.gz OLJIXRUQZWVEGB-KSZLIROESA-N 1 1 329.513 2.867 40 0 EFABMO CC1(C)OC[C@H]([C@@H]2[C@H]3OC(C)(C)O[C@H]3C[N@H+]2Cc2ccccc2)O1 ZINC000022012644 472009066 /nfs/dbraw/zinc/00/90/66/472009066.db2.gz FPPCQSGAIOZMJL-HZMVEIRTSA-N 1 1 333.428 2.542 40 0 EFABMO C[N@H+](CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000022757960 472020370 /nfs/dbraw/zinc/02/03/70/472020370.db2.gz XRMJRGPJYFLGJN-MRXNPFEDSA-N 1 1 327.428 2.818 40 0 EFABMO C[N@@H+](CN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000022757960 472020375 /nfs/dbraw/zinc/02/03/75/472020375.db2.gz XRMJRGPJYFLGJN-MRXNPFEDSA-N 1 1 327.428 2.818 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCCOc2ccc(F)cc2)C1 ZINC000041690206 472078943 /nfs/dbraw/zinc/07/89/43/472078943.db2.gz VFTHHKBDAZXHKY-UXLLHSPISA-N 1 1 325.424 2.560 40 0 EFABMO COc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000025217265 472084858 /nfs/dbraw/zinc/08/48/58/472084858.db2.gz DMFCANPKOPWISN-GOSISDBHSA-N 1 1 330.403 2.690 40 0 EFABMO O[C@H](COc1ccc(F)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000026781200 472147946 /nfs/dbraw/zinc/14/79/46/472147946.db2.gz LWUXYBCYDPOVBW-SFHVURJKSA-N 1 1 348.393 2.527 40 0 EFABMO CCOc1ccccc1OCC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000075738288 472191978 /nfs/dbraw/zinc/19/19/78/472191978.db2.gz OLMGAPVXNDGHGC-MRXNPFEDSA-N 1 1 332.444 2.551 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000028295288 472220897 /nfs/dbraw/zinc/22/08/97/472220897.db2.gz UUJWJBPJLSKMCI-IAGOWNOFSA-N 1 1 349.471 2.825 40 0 EFABMO Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCCOc2ccc(F)cc2)on1 ZINC000030268758 472321617 /nfs/dbraw/zinc/32/16/17/472321617.db2.gz QMXRTIVETAUIMI-CYBMUJFWSA-N 1 1 335.379 2.850 40 0 EFABMO Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCCOc2ccc(F)cc2)on1 ZINC000030268758 472321622 /nfs/dbraw/zinc/32/16/22/472321622.db2.gz QMXRTIVETAUIMI-CYBMUJFWSA-N 1 1 335.379 2.850 40 0 EFABMO CC(C)n1nccc1NC(=O)C[N@H+](C)CCOc1ccccc1F ZINC000044892750 472348459 /nfs/dbraw/zinc/34/84/59/472348459.db2.gz JERJZPRGUGCDLA-UHFFFAOYSA-N 1 1 334.395 2.552 40 0 EFABMO CC(C)n1nccc1NC(=O)C[N@@H+](C)CCOc1ccccc1F ZINC000044892750 472348462 /nfs/dbraw/zinc/34/84/62/472348462.db2.gz JERJZPRGUGCDLA-UHFFFAOYSA-N 1 1 334.395 2.552 40 0 EFABMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)CCCO)cc1F ZINC000088614223 472378109 /nfs/dbraw/zinc/37/81/09/472378109.db2.gz JMGVCICEMRQRHQ-CHWSQXEVSA-N 1 1 348.422 2.841 40 0 EFABMO Cc1cccc(NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000097096534 472444534 /nfs/dbraw/zinc/44/45/34/472444534.db2.gz GTWMWGDNWGAMFG-SFHVURJKSA-N 1 1 338.455 2.699 40 0 EFABMO Cc1cc(C)n(-c2ccc(-c3noc(C[N@@H+]4CCC[C@H]4C)n3)cn2)n1 ZINC000097104551 472448203 /nfs/dbraw/zinc/44/82/03/472448203.db2.gz GSZJDJLGBRMMSF-CYBMUJFWSA-N 1 1 338.415 2.918 40 0 EFABMO COc1ccc(CCC[NH+]2CCN(C(=O)c3ccco3)CC2)cc1F ZINC000097103894 472448757 /nfs/dbraw/zinc/44/87/57/472448757.db2.gz LOUGTIFHPKKAAA-UHFFFAOYSA-N 1 1 346.402 2.818 40 0 EFABMO c1cc(-c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cc2c1OCC2 ZINC000097103455 472448857 /nfs/dbraw/zinc/44/88/57/472448857.db2.gz SATJHKJSRFJXMF-MRXNPFEDSA-N 1 1 341.411 2.987 40 0 EFABMO Cc1[nH+]ccn1-c1cncc(N[C@H](C)[C@@H](O)c2ccc(F)cc2)n1 ZINC000097104624 472449080 /nfs/dbraw/zinc/44/90/80/472449080.db2.gz XAUKJTGHBUDJAI-PIGZYNQJSA-N 1 1 327.363 2.644 40 0 EFABMO COc1ccc2cc(CN(C)C[C@H]3CC[N@@H+](C)C3)c(OC)nc2c1 ZINC000057811498 472477842 /nfs/dbraw/zinc/47/78/42/472477842.db2.gz HUKWIGPYICQGLU-AWEZNQCLSA-N 1 1 329.444 2.636 40 0 EFABMO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000097230944 472483417 /nfs/dbraw/zinc/48/34/17/472483417.db2.gz MCMBWJBODYWTIW-MRXNPFEDSA-N 1 1 345.468 2.568 40 0 EFABMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234344 472484948 /nfs/dbraw/zinc/48/49/48/472484948.db2.gz BQKIJFBCRAWMNP-WBVHZDCISA-N 1 1 331.464 2.663 40 0 EFABMO CC(C)[NH+]1CCC(N[C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000097238270 472486579 /nfs/dbraw/zinc/48/65/79/472486579.db2.gz RKDGXXAFGLHXLF-QAPCUYQASA-N 1 1 335.517 2.872 40 0 EFABMO CC(C)N1CCC([NH2+][C@@H]2CCC(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000097238270 472486583 /nfs/dbraw/zinc/48/65/83/472486583.db2.gz RKDGXXAFGLHXLF-QAPCUYQASA-N 1 1 335.517 2.872 40 0 EFABMO COc1cccc(C[N@@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)c1 ZINC000077266484 472490443 /nfs/dbraw/zinc/49/04/43/472490443.db2.gz CCCIBGWKOJBBCL-GOSISDBHSA-N 1 1 337.423 2.822 40 0 biogenic,in-vitro EFABMO COc1cccc(C[N@H+]2CCN3C(=O)N(c4ccccc4)C[C@H]3C2)c1 ZINC000077266484 472490450 /nfs/dbraw/zinc/49/04/50/472490450.db2.gz CCCIBGWKOJBBCL-GOSISDBHSA-N 1 1 337.423 2.822 40 0 biogenic,in-vitro EFABMO C[C@H](NC(=O)CC[NH+]1CCN(c2nccs2)CC1)c1ccccc1 ZINC000057919477 472491133 /nfs/dbraw/zinc/49/11/33/472491133.db2.gz ZAZMBBABBSMSMI-HNNXBMFYSA-N 1 1 344.484 2.533 40 0 EFABMO CC(=O)N1CC[NH+](Cc2ccc(N[C@@H]3CCCSC3)cc2)CC1 ZINC000097371108 472492490 /nfs/dbraw/zinc/49/24/90/472492490.db2.gz VBTXYBBDXUVYKY-GOSISDBHSA-N 1 1 333.501 2.658 40 0 EFABMO CC1([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)OCCO1 ZINC000097373159 472493456 /nfs/dbraw/zinc/49/34/56/472493456.db2.gz KEEILDOLBXFEQV-KRWDZBQOSA-N 1 1 331.460 2.657 40 0 EFABMO CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000058439165 472570128 /nfs/dbraw/zinc/57/01/28/472570128.db2.gz VNGIVLTWZQTNCN-CYBMUJFWSA-N 1 1 346.443 2.898 40 0 EFABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)c1 ZINC000072227737 472634626 /nfs/dbraw/zinc/63/46/26/472634626.db2.gz CQQJLMVZNQWKEK-CABCVRRESA-N 1 1 347.212 2.873 40 0 EFABMO C[N@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216387 472634733 /nfs/dbraw/zinc/63/47/33/472634733.db2.gz IJRFQNKSNXWOPR-INIZCTEOSA-N 1 1 346.475 2.905 40 0 EFABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000072227143 472634851 /nfs/dbraw/zinc/63/48/51/472634851.db2.gz HXQJMUKTDNARAQ-GJZGRUSLSA-N 1 1 347.212 2.873 40 0 EFABMO COc1cccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)c1 ZINC000072227296 472634957 /nfs/dbraw/zinc/63/49/57/472634957.db2.gz MLOAGBAMFDTZOU-HUUCEWRRSA-N 1 1 347.212 2.873 40 0 EFABMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc2cc(F)c(F)cc21 ZINC000060368134 472647827 /nfs/dbraw/zinc/64/78/27/472647827.db2.gz GDYFPOYNPWIMSN-CQSZACIVSA-N 1 1 331.366 2.807 40 0 EFABMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cnc2cc(F)c(F)cc21 ZINC000060368133 472648707 /nfs/dbraw/zinc/64/87/07/472648707.db2.gz GDYFPOYNPWIMSN-AWEZNQCLSA-N 1 1 331.366 2.807 40 0 EFABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000072390889 472663934 /nfs/dbraw/zinc/66/39/34/472663934.db2.gz PTSAUMVBWAZQIV-OAHLLOKOSA-N 1 1 328.460 2.503 40 0 EFABMO Cc1cccc(NC(=O)[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000047254415 472676969 /nfs/dbraw/zinc/67/69/69/472676969.db2.gz ICJRDWQTAMIFHG-OAHLLOKOSA-N 1 1 325.416 2.652 40 0 EFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccccc1 ZINC000047320463 472689182 /nfs/dbraw/zinc/68/91/82/472689182.db2.gz ARPNXGHQRKFDFB-UHFFFAOYSA-N 1 1 325.412 2.841 40 0 EFABMO Cc1nc(CC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000120476562 472695961 /nfs/dbraw/zinc/69/59/61/472695961.db2.gz XNYDSMYMPFUSHB-GASCZTMLSA-N 1 1 337.533 2.815 40 0 EFABMO C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000091166122 472722435 /nfs/dbraw/zinc/72/24/35/472722435.db2.gz DJCWGFWVSBTFRZ-GOSISDBHSA-N 1 1 326.396 2.535 40 0 EFABMO C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(COc3ccccc3)cc2)C1 ZINC000091166122 472722438 /nfs/dbraw/zinc/72/24/38/472722438.db2.gz DJCWGFWVSBTFRZ-GOSISDBHSA-N 1 1 326.396 2.535 40 0 EFABMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@H]1CCOC1 ZINC000047717341 472759804 /nfs/dbraw/zinc/75/98/04/472759804.db2.gz ICLAVARHRZCILB-GFCCVEGCSA-N 1 1 341.249 2.664 40 0 EFABMO CCOC(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000048331812 472858696 /nfs/dbraw/zinc/85/86/96/472858696.db2.gz GJOOBJQOJQNYKF-AWEZNQCLSA-N 1 1 333.432 2.859 40 0 EFABMO CN(Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]21 ZINC000107197531 472932526 /nfs/dbraw/zinc/93/25/26/472932526.db2.gz YOYZGQQPDOCDEE-HOJAQTOUSA-N 1 1 329.488 2.793 40 0 EFABMO CN(Cc1ccncc1)[C@H]1CCC[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]21 ZINC000107197531 472932530 /nfs/dbraw/zinc/93/25/30/472932530.db2.gz YOYZGQQPDOCDEE-HOJAQTOUSA-N 1 1 329.488 2.793 40 0 EFABMO CN1CCC([N@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)CC1 ZINC000049169845 472934437 /nfs/dbraw/zinc/93/44/37/472934437.db2.gz ILXHSKMPTRPIEZ-INIZCTEOSA-N 1 1 326.444 2.544 40 0 biogenic,in-vitro EFABMO C[NH+]1CCC(N2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)CC1 ZINC000049169845 472934443 /nfs/dbraw/zinc/93/44/43/472934443.db2.gz ILXHSKMPTRPIEZ-INIZCTEOSA-N 1 1 326.444 2.544 40 0 biogenic,in-vitro EFABMO O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CCN1Cc1ccncc1 ZINC000107254384 472936396 /nfs/dbraw/zinc/93/63/96/472936396.db2.gz RYNLUJVHOCQDOL-RDJZCZTQSA-N 1 1 327.453 2.624 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000107730603 472978500 /nfs/dbraw/zinc/97/85/00/472978500.db2.gz MJCZYAHKRRAABW-RTBURBONSA-N 1 1 325.412 2.679 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](Cn4ccnc4)CO3)C2)s1 ZINC000107738961 472979490 /nfs/dbraw/zinc/97/94/90/472979490.db2.gz CWWDOTJNCULINI-WMZOPIPTSA-N 1 1 347.484 2.561 40 0 EFABMO CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000107738641 472980026 /nfs/dbraw/zinc/98/00/26/472980026.db2.gz JIPAKPKOORNZOM-QZTJIDSGSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000107738641 472980032 /nfs/dbraw/zinc/98/00/32/472980032.db2.gz JIPAKPKOORNZOM-QZTJIDSGSA-N 1 1 338.517 2.696 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)o1 ZINC000107738658 472980801 /nfs/dbraw/zinc/98/08/01/472980801.db2.gz YIMMSJKPSSVFQZ-PKOBYXMFSA-N 1 1 336.476 2.536 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000107738658 472980805 /nfs/dbraw/zinc/98/08/05/472980805.db2.gz YIMMSJKPSSVFQZ-PKOBYXMFSA-N 1 1 336.476 2.536 40 0 EFABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)NCc4ccco4)[C@@H]3C2)cc1 ZINC000107745967 472980819 /nfs/dbraw/zinc/98/08/19/472980819.db2.gz FTNBYZPKBLBBEZ-REPLKXPHSA-N 1 1 340.423 2.673 40 0 EFABMO Cc1ncsc1C[N@H+]1CCC2(CC(NC(=O)c3cccnc3)C2)C1 ZINC000108524414 473033929 /nfs/dbraw/zinc/03/39/29/473033929.db2.gz XRTOXQHRWFGBEG-UHFFFAOYSA-N 1 1 342.468 2.631 40 0 EFABMO Cc1nn(C)cc1C[N@H+]1CCC2(CC(NC(=O)c3ccsc3)C2)C1 ZINC000108524454 473034549 /nfs/dbraw/zinc/03/45/49/473034549.db2.gz RFWPBDQTQXHMPG-UHFFFAOYSA-N 1 1 344.484 2.575 40 0 EFABMO Cc1cccc(C[N@H+]2CCC3(CC(NC(=O)c4cccnc4)C3)C2)n1 ZINC000108528037 473035697 /nfs/dbraw/zinc/03/56/97/473035697.db2.gz HCSLLCAVQQSXDE-UHFFFAOYSA-N 1 1 336.439 2.570 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108526621 473036324 /nfs/dbraw/zinc/03/63/24/473036324.db2.gz YKCLXSDABQWLJA-PXNSSMCTSA-N 1 1 343.471 2.936 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108534816 473037670 /nfs/dbraw/zinc/03/76/70/473037670.db2.gz DMIYSAKEXNHGTC-QAPCUYQASA-N 1 1 333.501 2.970 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108536442 473037856 /nfs/dbraw/zinc/03/78/56/473037856.db2.gz WWUUJCWGUKIEBL-YJBOKZPZSA-N 1 1 349.500 2.998 40 0 EFABMO Cc1cccnc1C[N@H+]1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108534852 473037893 /nfs/dbraw/zinc/03/78/93/473037893.db2.gz WATWTNJSQPHBRH-UHFFFAOYSA-N 1 1 342.468 2.631 40 0 EFABMO Cc1cc(NC(=O)C[N@H+](C)Cc2cccc(C(F)(F)F)c2)n(C)n1 ZINC000052048323 473084363 /nfs/dbraw/zinc/08/43/63/473084363.db2.gz DNFRUJYVVIBHPS-UHFFFAOYSA-N 1 1 340.349 2.818 40 0 EFABMO Cc1cc(NC(=O)C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)n(C)n1 ZINC000052048323 473084365 /nfs/dbraw/zinc/08/43/65/473084365.db2.gz DNFRUJYVVIBHPS-UHFFFAOYSA-N 1 1 340.349 2.818 40 0 EFABMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000136194622 473142605 /nfs/dbraw/zinc/14/26/05/473142605.db2.gz WXTQRJPLKUFUDE-UHFFFAOYSA-N 1 1 344.908 2.894 40 0 EFABMO C[C@H]1C[N@@H+](CC2(O)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000110691864 473171493 /nfs/dbraw/zinc/17/14/93/473171493.db2.gz LJTKZLYXNPAXOS-LSDHHAIUSA-N 1 1 326.481 2.917 40 0 EFABMO CC[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000110698438 473172959 /nfs/dbraw/zinc/17/29/59/473172959.db2.gz HOKCWPGYZLFBIT-QWHCGFSZSA-N 1 1 332.473 2.568 40 0 EFABMO NS(=O)(=O)CC[N@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000096419566 473397808 /nfs/dbraw/zinc/39/78/08/473397808.db2.gz VJQVJEGYRPNTGK-ZDUSSCGKSA-N 1 1 336.379 2.521 40 0 EFABMO Cc1ccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000096418702 473398125 /nfs/dbraw/zinc/39/81/25/473398125.db2.gz XPIOZIGQBVOOHE-AWEZNQCLSA-N 1 1 338.883 2.653 40 0 EFABMO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419726 473398310 /nfs/dbraw/zinc/39/83/10/473398310.db2.gz FJFLKEUPDJBBDT-KGLIPLIRSA-N 1 1 337.489 2.776 40 0 EFABMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419726 473398314 /nfs/dbraw/zinc/39/83/14/473398314.db2.gz FJFLKEUPDJBBDT-KGLIPLIRSA-N 1 1 337.489 2.776 40 0 EFABMO COc1c(C)c[nH+]c(CN2CCN([C@@H](C)c3cccnc3)CC2)c1C ZINC000096424280 473402874 /nfs/dbraw/zinc/40/28/74/473402874.db2.gz HBFQNUUYYOYAPI-KRWDZBQOSA-N 1 1 340.471 2.981 40 0 EFABMO CCc1ocnc1C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC ZINC000096431767 473410650 /nfs/dbraw/zinc/41/06/50/473410650.db2.gz AYQDCDPIJRRPOE-INIZCTEOSA-N 1 1 327.428 2.974 40 0 EFABMO CCc1ocnc1C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1CC ZINC000096431767 473410656 /nfs/dbraw/zinc/41/06/56/473410656.db2.gz AYQDCDPIJRRPOE-INIZCTEOSA-N 1 1 327.428 2.974 40 0 EFABMO CCn1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000096431358 473410830 /nfs/dbraw/zinc/41/08/30/473410830.db2.gz RBVQGGJSZOSGKD-KRWDZBQOSA-N 1 1 341.459 2.889 40 0 EFABMO C[C@H]1CCN(C(=O)c2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000096433123 473411477 /nfs/dbraw/zinc/41/14/77/473411477.db2.gz CIAZBVFXNJFUDE-HNNXBMFYSA-N 1 1 327.403 2.957 40 0 EFABMO CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn(C)n1 ZINC000096434409 473413073 /nfs/dbraw/zinc/41/30/73/473413073.db2.gz OXJRCYYEWBNWFK-MRXNPFEDSA-N 1 1 327.432 2.548 40 0 EFABMO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn(C)n1 ZINC000096434409 473413078 /nfs/dbraw/zinc/41/30/78/473413078.db2.gz OXJRCYYEWBNWFK-MRXNPFEDSA-N 1 1 327.432 2.548 40 0 EFABMO CN(Cc1ccsc1)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096435916 473414729 /nfs/dbraw/zinc/41/47/29/473414729.db2.gz CCIDUJOGFIBZRX-SFHVURJKSA-N 1 1 344.480 2.998 40 0 EFABMO CN(Cc1ccsc1)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096435916 473414733 /nfs/dbraw/zinc/41/47/33/473414733.db2.gz CCIDUJOGFIBZRX-SFHVURJKSA-N 1 1 344.480 2.998 40 0 EFABMO C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435912 473415283 /nfs/dbraw/zinc/41/52/83/473415283.db2.gz ZRQISMOAUXSXKM-VQIMIIECSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435912 473415284 /nfs/dbraw/zinc/41/52/84/473415284.db2.gz ZRQISMOAUXSXKM-VQIMIIECSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@@H]1C[C@H](NCc2ccccc2C[N@@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437125 473416465 /nfs/dbraw/zinc/41/64/65/473416465.db2.gz DBXJAZGNDQBWLM-KDOFPFPSSA-N 1 1 328.412 2.705 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)N3CCS[C@H](C)[C@H]3C)CC2)[nH+]c1 ZINC000096440810 473418582 /nfs/dbraw/zinc/41/85/82/473418582.db2.gz JHNLMRNXWWKNRW-HUUCEWRRSA-N 1 1 348.516 2.894 40 0 EFABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOC1 ZINC000096440557 473418765 /nfs/dbraw/zinc/41/87/65/473418765.db2.gz ZWFPFPABFVXBPP-RBUKOAKNSA-N 1 1 345.487 2.719 40 0 EFABMO Cc1nn(C)cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000096443924 473420920 /nfs/dbraw/zinc/42/09/20/473420920.db2.gz RXDAMEUXQNVSLB-CQSZACIVSA-N 1 1 342.443 2.701 40 0 EFABMO O=C(NCC(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000096445739 473423541 /nfs/dbraw/zinc/42/35/41/473423541.db2.gz ZATBOMPPHZHRCW-NSHDSACASA-N 1 1 335.757 2.626 40 0 EFABMO Cn1cc(C[C@H]2CC[N@H+](Cc3nnc(-c4cccs4)o3)C2)cn1 ZINC000096447072 473424702 /nfs/dbraw/zinc/42/47/02/473424702.db2.gz LEBAMTLWBZBXMU-GFCCVEGCSA-N 1 1 329.429 2.596 40 0 EFABMO Cn1cc(C[C@H]2CC[N@@H+](Cc3nnc(-c4cccs4)o3)C2)cn1 ZINC000096447072 473424711 /nfs/dbraw/zinc/42/47/11/473424711.db2.gz LEBAMTLWBZBXMU-GFCCVEGCSA-N 1 1 329.429 2.596 40 0 EFABMO NC(=O)c1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1F ZINC000096454188 473429637 /nfs/dbraw/zinc/42/96/37/473429637.db2.gz GAEQWJOOKOHHBE-GFCCVEGCSA-N 1 1 333.407 2.518 40 0 EFABMO CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000096455481 473431013 /nfs/dbraw/zinc/43/10/13/473431013.db2.gz OEGFVGWWLLLPIV-CQSZACIVSA-N 1 1 335.473 2.566 40 0 EFABMO CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000096455481 473431020 /nfs/dbraw/zinc/43/10/20/473431020.db2.gz OEGFVGWWLLLPIV-CQSZACIVSA-N 1 1 335.473 2.566 40 0 EFABMO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1C(=O)N(C)C ZINC000096476006 473439553 /nfs/dbraw/zinc/43/95/53/473439553.db2.gz SNPZSEBPSANLSW-WMLDXEAASA-N 1 1 346.475 2.501 40 0 EFABMO C[C@H](NC(=O)CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000096483372 473442155 /nfs/dbraw/zinc/44/21/55/473442155.db2.gz QLPDOFARRJGHJC-WQCNXYOZSA-N 1 1 330.472 2.999 40 0 EFABMO CO[C@@H]1CC[C@H]2OCC[N@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484547 473443422 /nfs/dbraw/zinc/44/34/22/473443422.db2.gz AUJAZJPXEWMURD-WCXIOVBPSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@H]2OCC[N@@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484547 473443429 /nfs/dbraw/zinc/44/34/29/473443429.db2.gz AUJAZJPXEWMURD-WCXIOVBPSA-N 1 1 325.836 2.642 40 0 EFABMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000096490640 473446566 /nfs/dbraw/zinc/44/65/66/473446566.db2.gz JZVVMKUCLPCLNV-RDTXWAMCSA-N 1 1 338.455 2.814 40 0 EFABMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000096490640 473446573 /nfs/dbraw/zinc/44/65/73/473446573.db2.gz JZVVMKUCLPCLNV-RDTXWAMCSA-N 1 1 338.455 2.814 40 0 EFABMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000096490640 473446576 /nfs/dbraw/zinc/44/65/76/473446576.db2.gz JZVVMKUCLPCLNV-RDTXWAMCSA-N 1 1 338.455 2.814 40 0 EFABMO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000192615343 473696767 /nfs/dbraw/zinc/69/67/67/473696767.db2.gz QLOGYUWZTZYOHR-ZBFHGGJFSA-N 1 1 335.448 2.602 40 0 EFABMO O=C1[C@@H]([NH2+][C@H](CCO)c2ccco2)CCCN1c1ccccc1F ZINC000192788099 473726890 /nfs/dbraw/zinc/72/68/90/473726890.db2.gz BNMQCYKVKFCWQO-CABCVRRESA-N 1 1 332.375 2.627 40 0 EFABMO CC[C@H](C)Oc1cc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)ccn1 ZINC000274147752 473743911 /nfs/dbraw/zinc/74/39/11/473743911.db2.gz YQFCJDDNAKUCMV-AEGPPILISA-N 1 1 344.415 2.845 40 0 EFABMO O=C(C[N@H+]1CCCN(Cc2cc(Cl)cs2)CC1)N1CCCC1 ZINC000194326982 473880181 /nfs/dbraw/zinc/88/01/81/473880181.db2.gz KCIRSLKBSYTGQO-UHFFFAOYSA-N 1 1 341.908 2.532 40 0 EFABMO O=C(C[N@@H+]1CCCN(Cc2cc(Cl)cs2)CC1)N1CCCC1 ZINC000194326982 473880187 /nfs/dbraw/zinc/88/01/87/473880187.db2.gz KCIRSLKBSYTGQO-UHFFFAOYSA-N 1 1 341.908 2.532 40 0 EFABMO C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000195530607 474089724 /nfs/dbraw/zinc/08/97/24/474089724.db2.gz NKDBVGAVCOFFDP-GOEBONIOSA-N 1 1 332.419 2.731 40 0 EFABMO C[C@@H](C(=O)N1CCCC1)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000195530607 474089731 /nfs/dbraw/zinc/08/97/31/474089731.db2.gz NKDBVGAVCOFFDP-GOEBONIOSA-N 1 1 332.419 2.731 40 0 EFABMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000195530324 474090300 /nfs/dbraw/zinc/09/03/00/474090300.db2.gz MRZNTBPLLSWREB-QFBILLFUSA-N 1 1 347.503 2.619 40 0 EFABMO Cc1cc[nH+]c(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000195539170 474091716 /nfs/dbraw/zinc/09/17/16/474091716.db2.gz PZSSGYHHHGIPMP-UHFFFAOYSA-N 1 1 334.441 2.699 40 0 EFABMO CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000195539851 474091973 /nfs/dbraw/zinc/09/19/73/474091973.db2.gz DPGVMIAPVMTGTQ-OLMNPRSZSA-N 1 1 332.444 2.533 40 0 EFABMO CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000195539846 474092166 /nfs/dbraw/zinc/09/21/66/474092166.db2.gz DPGVMIAPVMTGTQ-JLSDUUJJSA-N 1 1 332.444 2.533 40 0 EFABMO CO[C@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545661 474092679 /nfs/dbraw/zinc/09/26/79/474092679.db2.gz AUJAZJPXEWMURD-HZMVEIRTSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545661 474092686 /nfs/dbraw/zinc/09/26/86/474092686.db2.gz AUJAZJPXEWMURD-HZMVEIRTSA-N 1 1 325.836 2.642 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C1=COCC1 ZINC000195547783 474092937 /nfs/dbraw/zinc/09/29/37/474092937.db2.gz IXPXCEWWDKYHOB-QGZVFWFLSA-N 1 1 330.428 2.509 40 0 EFABMO c1snnc1CN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195560532 474096008 /nfs/dbraw/zinc/09/60/08/474096008.db2.gz MOODXJKMMJJRAQ-SZMVWBNQSA-N 1 1 328.485 2.928 40 0 EFABMO O=C(NCCc1cccs1)[C@H]1C[N@@H+](C2CCCC2)Cc2ccnn21 ZINC000247480124 474158603 /nfs/dbraw/zinc/15/86/03/474158603.db2.gz IOBSOVULNPPQRT-QGZVFWFLSA-N 1 1 344.484 2.603 40 0 EFABMO O=C(NCCc1cccs1)[C@H]1C[N@H+](C2CCCC2)Cc2ccnn21 ZINC000247480124 474158609 /nfs/dbraw/zinc/15/86/09/474158609.db2.gz IOBSOVULNPPQRT-QGZVFWFLSA-N 1 1 344.484 2.603 40 0 EFABMO Fc1cccnc1O[C@H]1Cn2cccc2C[N@@H+](CC2CCOCC2)C1 ZINC000247550869 474179900 /nfs/dbraw/zinc/17/99/00/474179900.db2.gz VZAGPVSLJJHIEW-QGZVFWFLSA-N 1 1 345.418 2.712 40 0 EFABMO CCc1[nH+]ccn1C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000225484727 474216614 /nfs/dbraw/zinc/21/66/14/474216614.db2.gz AIKRGHNEUXAOSW-GFCCVEGCSA-N 1 1 343.196 2.787 40 0 EFABMO COc1ccc2c(c1)C[N@@H+](Cc1ccccn1)CC[C@H]1COC(=O)N21 ZINC000225490700 474217551 /nfs/dbraw/zinc/21/75/51/474217551.db2.gz RHEUNCUOXWKLOW-INIZCTEOSA-N 1 1 339.395 2.821 40 0 biogenic,in-vitro EFABMO COc1ccc2c(c1)C[N@H+](Cc1ccccn1)CC[C@H]1COC(=O)N21 ZINC000225490700 474217557 /nfs/dbraw/zinc/21/75/57/474217557.db2.gz RHEUNCUOXWKLOW-INIZCTEOSA-N 1 1 339.395 2.821 40 0 biogenic,in-vitro EFABMO CN1c2ncccc2C[N@@H+](Cc2ccccc2Cl)CC[C@H]1CO ZINC000225492346 474217748 /nfs/dbraw/zinc/21/77/48/474217748.db2.gz LHQBSJTYBOYSFS-INIZCTEOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CN1c2ncccc2C[N@H+](Cc2ccccc2Cl)CC[C@H]1CO ZINC000225492346 474217750 /nfs/dbraw/zinc/21/77/50/474217750.db2.gz LHQBSJTYBOYSFS-INIZCTEOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@H+]2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)cc1 ZINC000225493214 474218405 /nfs/dbraw/zinc/21/84/05/474218405.db2.gz SXRUGWBHJJKBOP-SFHVURJKSA-N 1 1 341.455 2.602 40 0 biogenic,in-vitro EFABMO CN1c2ncccc2C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1CO ZINC000225492399 474218436 /nfs/dbraw/zinc/21/84/36/474218436.db2.gz CJVRJHVDFHUHTD-KRWDZBQOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CN1c2ncccc2C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1CO ZINC000225492399 474218445 /nfs/dbraw/zinc/21/84/45/474218445.db2.gz CJVRJHVDFHUHTD-KRWDZBQOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CC[C@@]1(C)CN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CCO1 ZINC000225504360 474219675 /nfs/dbraw/zinc/21/96/75/474219675.db2.gz YESWXSRKZZANAT-IBGZPJMESA-N 1 1 346.475 2.701 40 0 EFABMO O=C([C@@H]1CCc2[nH]cnc2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510366 474220054 /nfs/dbraw/zinc/22/00/54/474220054.db2.gz LTHIDGVGALNVOZ-CYBMUJFWSA-N 1 1 344.846 2.517 40 0 EFABMO CCS(=O)(=O)c1ccccc1N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000225518103 474220481 /nfs/dbraw/zinc/22/04/81/474220481.db2.gz VQZOYMIRZLIRMG-UHFFFAOYSA-N 1 1 347.484 2.673 40 0 EFABMO c1cncc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)c1 ZINC000247885477 474222802 /nfs/dbraw/zinc/22/28/02/474222802.db2.gz RLQPCGNWSFUARG-QGZVFWFLSA-N 1 1 334.485 2.585 40 0 EFABMO c1coc(C[N@@H+]2CC[C@H]3OCCN(Cc4cccnc4)[C@@H]3CC2)c1 ZINC000247926117 474227097 /nfs/dbraw/zinc/22/70/97/474227097.db2.gz PNQTYYMGKCOXSE-RTBURBONSA-N 1 1 327.428 2.540 40 0 EFABMO CCOC(=O)c1sc(N2CCC[C@H]2Cn2cc[nH+]c2C)nc1C ZINC000225596268 474227991 /nfs/dbraw/zinc/22/79/91/474227991.db2.gz MABMHSHUZZHFCY-ZDUSSCGKSA-N 1 1 334.445 2.802 40 0 EFABMO Cc1nc(CN2CCO[C@H]3CC[N@@H+](Cc4ccoc4)CC[C@H]32)cs1 ZINC000247997418 474242872 /nfs/dbraw/zinc/24/28/72/474242872.db2.gz AQIJKKNHIMJDJT-MSOLQXFVSA-N 1 1 347.484 2.910 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]21 ZINC000248025239 474246612 /nfs/dbraw/zinc/24/66/12/474246612.db2.gz JILHQMTWRIDWPC-ZAAXVRCTSA-N 1 1 341.455 2.548 40 0 EFABMO CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC000248047969 474251488 /nfs/dbraw/zinc/25/14/88/474251488.db2.gz MTCGWDNPIHAOMY-WMZOPIPTSA-N 1 1 344.484 2.798 40 0 EFABMO C[NH+]1CCC[C@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260179 /nfs/dbraw/zinc/26/01/79/474260179.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 1 1 349.563 2.685 40 0 EFABMO COc1ccc(C[N@@H+](C[C@H]2CCOC2)C[C@H]2CCCO2)c(OC)c1 ZINC000248138221 474265728 /nfs/dbraw/zinc/26/57/28/474265728.db2.gz ODTFRTHVZFTDRK-CRAIPNDOSA-N 1 1 335.444 2.721 40 0 EFABMO CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@H]1CCOC1)C2 ZINC000248149992 474269915 /nfs/dbraw/zinc/26/99/15/474269915.db2.gz XDDLQKUWWCZACQ-MRXNPFEDSA-N 1 1 341.455 2.701 40 0 EFABMO Cc1ccoc1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@H+]2C ZINC000248161244 474274009 /nfs/dbraw/zinc/27/40/09/474274009.db2.gz XRQCFEOEBCRIIW-MRXNPFEDSA-N 1 1 332.444 2.551 40 0 EFABMO Cc1ccoc1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@@H+]2C ZINC000248161244 474274018 /nfs/dbraw/zinc/27/40/18/474274018.db2.gz XRQCFEOEBCRIIW-MRXNPFEDSA-N 1 1 332.444 2.551 40 0 EFABMO Cc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)CC1CC1 ZINC000248169642 474275358 /nfs/dbraw/zinc/27/53/58/474275358.db2.gz UWSMHYHRNYLDJA-IBGZPJMESA-N 1 1 342.483 2.892 40 0 EFABMO CCn1nccc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248578982 474365287 /nfs/dbraw/zinc/36/52/87/474365287.db2.gz FCAAIRZFWYLOPY-BPUTZDHNSA-N 1 1 334.464 2.638 40 0 EFABMO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176281397 474430307 /nfs/dbraw/zinc/43/03/07/474430307.db2.gz IJJYOVOROGMEQO-WBMJQRKESA-N 1 1 345.447 2.602 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@@H]1CCOC1=O ZINC000189955689 474517470 /nfs/dbraw/zinc/51/74/70/474517470.db2.gz NSUPBLUQZXBJMS-JFIYKMOQSA-N 1 1 330.472 2.686 40 0 EFABMO CCc1nnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000249115702 474529799 /nfs/dbraw/zinc/52/97/99/474529799.db2.gz YOSOSPQLBLGYPD-JSGCOSHPSA-N 1 1 331.445 2.667 40 0 EFABMO CCc1nsc(N2CCC[N@H+](Cc3cn(C(C)C)nc3C)CC2)n1 ZINC000241644171 474557500 /nfs/dbraw/zinc/55/75/00/474557500.db2.gz POWKSZUMNGOYKW-UHFFFAOYSA-N 1 1 348.520 2.899 40 0 EFABMO CCc1nsc(N2CCC[N@@H+](Cc3cn(C(C)C)nc3C)CC2)n1 ZINC000241644171 474557506 /nfs/dbraw/zinc/55/75/06/474557506.db2.gz POWKSZUMNGOYKW-UHFFFAOYSA-N 1 1 348.520 2.899 40 0 EFABMO CC(C)[N@@H+](CCO)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242554607 474559664 /nfs/dbraw/zinc/55/96/64/474559664.db2.gz MOIGCKVAHGYLNA-MSOLQXFVSA-N 1 1 334.460 2.927 40 0 EFABMO CC(C)[N@H+](CCN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242575122 474561479 /nfs/dbraw/zinc/56/14/79/474561479.db2.gz NSNJJHAYNYRHKN-QZTJIDSGSA-N 1 1 333.476 2.893 40 0 EFABMO CC(C)[N@@H+](CCN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242575122 474561486 /nfs/dbraw/zinc/56/14/86/474561486.db2.gz NSNJJHAYNYRHKN-QZTJIDSGSA-N 1 1 333.476 2.893 40 0 EFABMO COC(=O)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000245265756 474572465 /nfs/dbraw/zinc/57/24/65/474572465.db2.gz HRPBXLQVYZVWKH-WMZOPIPTSA-N 1 1 344.455 2.602 40 0 EFABMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000245358610 474574131 /nfs/dbraw/zinc/57/41/31/474574131.db2.gz ZTLMMPOBYKKATA-MSOLQXFVSA-N 1 1 343.471 2.941 40 0 EFABMO C[C@H](NC(=O)CC[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000245339105 474574327 /nfs/dbraw/zinc/57/43/27/474574327.db2.gz QLPDOFARRJGHJC-WLWJZTKJSA-N 1 1 330.472 2.999 40 0 EFABMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000245344178 474574984 /nfs/dbraw/zinc/57/49/84/474574984.db2.gz XXXYRKXRNONTEG-DOMZBBRYSA-N 1 1 343.393 2.957 40 0 EFABMO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000245344178 474574989 /nfs/dbraw/zinc/57/49/89/474574989.db2.gz XXXYRKXRNONTEG-DOMZBBRYSA-N 1 1 343.393 2.957 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H](O)CC(F)(F)F ZINC000249507338 474581854 /nfs/dbraw/zinc/58/18/54/474581854.db2.gz YTHGPEYGYJCQAC-ZBFHGGJFSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000249507338 474581858 /nfs/dbraw/zinc/58/18/58/474581858.db2.gz YTHGPEYGYJCQAC-ZBFHGGJFSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000249507338 474581861 /nfs/dbraw/zinc/58/18/61/474581861.db2.gz YTHGPEYGYJCQAC-ZBFHGGJFSA-N 1 1 330.394 2.896 40 0 EFABMO CS(=O)(=O)CC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000252496904 474679923 /nfs/dbraw/zinc/67/99/23/474679923.db2.gz PUONTDHHBWQDPX-UHFFFAOYSA-N 1 1 346.290 2.673 40 0 EFABMO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000252003817 474654245 /nfs/dbraw/zinc/65/42/45/474654245.db2.gz NONRBTSBGKEJEK-MRXNPFEDSA-N 1 1 345.468 2.963 40 0 EFABMO C[N@@H+](CCCCCF)CC(=O)Nc1ccc(Br)cn1 ZINC000252478076 474664351 /nfs/dbraw/zinc/66/43/51/474664351.db2.gz ACECLFBCJWHAIV-UHFFFAOYSA-N 1 1 332.217 2.854 40 0 EFABMO CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252484697 474669842 /nfs/dbraw/zinc/66/98/42/474669842.db2.gz GEYZLWLMUAZWTP-MSOLQXFVSA-N 1 1 345.487 2.908 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)[C@H]2C1 ZINC000252485828 474670693 /nfs/dbraw/zinc/67/06/93/474670693.db2.gz AUJAZJPXEWMURD-TWMKSMIVSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)[C@H]2C1 ZINC000252485828 474670700 /nfs/dbraw/zinc/67/07/00/474670700.db2.gz AUJAZJPXEWMURD-TWMKSMIVSA-N 1 1 325.836 2.642 40 0 EFABMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000252486432 474673347 /nfs/dbraw/zinc/67/33/47/474673347.db2.gz JZVVMKUCLPCLNV-KSSFIOAISA-N 1 1 338.455 2.814 40 0 EFABMO Cc1cc(C(=O)N(C)[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000252492110 474677012 /nfs/dbraw/zinc/67/70/12/474677012.db2.gz MDAADYIZLWBMLX-QFBILLFUSA-N 1 1 342.439 2.950 40 0 EFABMO Cc1cc(C(=O)N(C)[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000252492110 474677021 /nfs/dbraw/zinc/67/70/21/474677021.db2.gz MDAADYIZLWBMLX-QFBILLFUSA-N 1 1 342.439 2.950 40 0 EFABMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000253406047 474738890 /nfs/dbraw/zinc/73/88/90/474738890.db2.gz VGMZUZCYRHDPQX-INIZCTEOSA-N 1 1 341.459 2.724 40 0 EFABMO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000253417429 474745514 /nfs/dbraw/zinc/74/55/14/474745514.db2.gz KCPOPRIAZRSKDK-ZBFHGGJFSA-N 1 1 325.474 2.903 40 0 EFABMO CCS(=O)(=O)CC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000253417429 474745521 /nfs/dbraw/zinc/74/55/21/474745521.db2.gz KCPOPRIAZRSKDK-ZBFHGGJFSA-N 1 1 325.474 2.903 40 0 EFABMO Cn1nccc1CC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000253420640 474747160 /nfs/dbraw/zinc/74/71/60/474747160.db2.gz KMFTXNFFHVNMQL-INIZCTEOSA-N 1 1 337.370 2.638 40 0 EFABMO Cn1nccc1CC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000253420640 474747171 /nfs/dbraw/zinc/74/71/71/474747171.db2.gz KMFTXNFFHVNMQL-INIZCTEOSA-N 1 1 337.370 2.638 40 0 EFABMO Cn1nccc1CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000253420653 474749040 /nfs/dbraw/zinc/74/90/40/474749040.db2.gz KMFTXNFFHVNMQL-MRXNPFEDSA-N 1 1 337.370 2.638 40 0 EFABMO Cn1nccc1CC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000253420653 474749051 /nfs/dbraw/zinc/74/90/51/474749051.db2.gz KMFTXNFFHVNMQL-MRXNPFEDSA-N 1 1 337.370 2.638 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3cscn3)[C@H](C)C2)s1 ZINC000253425403 474751825 /nfs/dbraw/zinc/75/18/25/474751825.db2.gz IXZMLPORRTXYGG-MFKMUULPSA-N 1 1 336.486 2.548 40 0 EFABMO Cc1ccc2nc([C@H]3CCCN(c4nccn5cnnc45)C3)[nH]c2c1 ZINC000253428446 474753453 /nfs/dbraw/zinc/75/34/53/474753453.db2.gz JXKQRHVRGJDVAR-ZDUSSCGKSA-N 1 1 333.399 2.693 40 0 EFABMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2ncnn2C(C)C)C1 ZINC000253433414 474757379 /nfs/dbraw/zinc/75/73/79/474757379.db2.gz WPIPQWWGVTWTLF-IAGOWNOFSA-N 1 1 342.443 2.638 40 0 EFABMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000253433414 474757386 /nfs/dbraw/zinc/75/73/86/474757386.db2.gz WPIPQWWGVTWTLF-IAGOWNOFSA-N 1 1 342.443 2.638 40 0 EFABMO CCc1cnc(CCNC(=O)N2CCC(c3cnc[nH]3)CC2)s1 ZINC000253433320 474758377 /nfs/dbraw/zinc/75/83/77/474758377.db2.gz VPMPTFDWWCUXES-UHFFFAOYSA-N 1 1 333.461 2.560 40 0 EFABMO Cn1nccc1[C@H]1[C@H](CNc2ncnc3ccsc32)CCC[N@H+]1C ZINC000284836534 474790164 /nfs/dbraw/zinc/79/01/64/474790164.db2.gz KUNLMDYSHLMJOA-SWLSCSKDSA-N 1 1 342.472 2.920 40 0 EFABMO CCOC[C@H]1CC[N@@H+](CC2CC2)C2(CN(C(=O)c3occc3C)C2)C1 ZINC000306128593 474807360 /nfs/dbraw/zinc/80/73/60/474807360.db2.gz HFSILBHQIPNYLY-KRWDZBQOSA-N 1 1 346.471 2.941 40 0 EFABMO c1cncc(COCc2cncc3c2CC[N@H+](C2CCOCC2)C3)c1 ZINC000306131643 474809843 /nfs/dbraw/zinc/80/98/43/474809843.db2.gz KKYQGRCYMQWYGW-UHFFFAOYSA-N 1 1 339.439 2.731 40 0 EFABMO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000306137636 474811172 /nfs/dbraw/zinc/81/11/72/474811172.db2.gz RBZXFKBPRNAVRJ-IEBWSBKVSA-N 1 1 340.448 2.856 40 0 EFABMO c1cc2n(n1)C[C@H](CCNc1ncccn1)C[N@H+](CC1CCCC1)C2 ZINC000306142908 474811899 /nfs/dbraw/zinc/81/18/99/474811899.db2.gz XNYILMWYHCJOCL-QGZVFWFLSA-N 1 1 340.475 2.797 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137198 474812488 /nfs/dbraw/zinc/81/24/88/474812488.db2.gz QOLSYEQQKSEEJX-WMZOPIPTSA-N 1 1 349.425 2.860 40 0 EFABMO CC(C)C[N@H+]1CC[C@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257210589 474925463 /nfs/dbraw/zinc/92/54/63/474925463.db2.gz BVGYULSEHHKQNZ-LBPRGKRZSA-N 1 1 332.473 2.838 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc12 ZINC000257278891 474927495 /nfs/dbraw/zinc/92/74/95/474927495.db2.gz OECHLVHYBHOOPY-PMACEKPBSA-N 1 1 327.424 2.964 40 0 EFABMO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257281245 474930389 /nfs/dbraw/zinc/93/03/89/474930389.db2.gz OOHKNLROSMRDBT-ZDUSSCGKSA-N 1 1 340.456 2.778 40 0 EFABMO CC(C)[C@H]1C[C@@H]2C[N@@H+](CC(N)=O)CC[C@@H]2O[C@@H]1c1ccc(F)cc1 ZINC000257286583 474931564 /nfs/dbraw/zinc/93/15/64/474931564.db2.gz PMDCGRYZVRRBRA-VYCZESIESA-N 1 1 334.435 2.735 40 0 EFABMO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](CCO)C3)n2)sc1C ZINC000257283766 474931689 /nfs/dbraw/zinc/93/16/89/474931689.db2.gz OZUCNBZPIWJXRB-CQSZACIVSA-N 1 1 347.488 2.774 40 0 EFABMO Cc1ccc(CN2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cn1 ZINC000257284622 474933322 /nfs/dbraw/zinc/93/33/22/474933322.db2.gz PDNMOHZSANYRAP-IBGZPJMESA-N 1 1 326.444 2.733 40 0 EFABMO Cc1cc(C[C@H]2CCC[C@@H]3C[N@H+](Cc4nccn4C)C[C@@H]32)ncn1 ZINC000257288722 474934058 /nfs/dbraw/zinc/93/40/58/474934058.db2.gz PVHXAXXFWHZKKF-JFIYKMOQSA-N 1 1 325.460 2.609 40 0 EFABMO CCc1n[nH]cc1C(=O)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccccc1)C[N@H+]2C ZINC000257290068 474934864 /nfs/dbraw/zinc/93/48/64/474934864.db2.gz QBLJZGWGUQBMIM-ZHALLVOQSA-N 1 1 338.455 2.532 40 0 EFABMO Cn1c(C[NH+]2CCC(c3ccnc4ccnn43)CC2)nc2ccccc21 ZINC000257288506 474934988 /nfs/dbraw/zinc/93/49/88/474934988.db2.gz PUKJHSVNGQALGX-UHFFFAOYSA-N 1 1 346.438 2.996 40 0 EFABMO Cc1nc(-c2cncnc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)no1 ZINC000257298094 474937619 /nfs/dbraw/zinc/93/76/19/474937619.db2.gz RKCPNFQYERUDRM-AWEZNQCLSA-N 1 1 336.399 2.610 40 0 EFABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000257295733 474938008 /nfs/dbraw/zinc/93/80/08/474938008.db2.gz QZQBMPBENKBVGS-HXUWFJFHSA-N 1 1 337.423 2.969 40 0 EFABMO O[C@]1(COc2ccccc2)CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000257295733 474938017 /nfs/dbraw/zinc/93/80/17/474938017.db2.gz QZQBMPBENKBVGS-HXUWFJFHSA-N 1 1 337.423 2.969 40 0 EFABMO O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000257295733 474938023 /nfs/dbraw/zinc/93/80/23/474938023.db2.gz QZQBMPBENKBVGS-HXUWFJFHSA-N 1 1 337.423 2.969 40 0 EFABMO Cn1cnc(C[N@H+]2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)c1 ZINC000257297072 474938078 /nfs/dbraw/zinc/93/80/78/474938078.db2.gz RFRDGJDRZNSWHD-LSTHTHJFSA-N 1 1 341.455 2.869 40 0 EFABMO Cc1cccc(C[N@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)n1 ZINC000257296248 474938988 /nfs/dbraw/zinc/93/89/88/474938988.db2.gz RBXCFFJZLGWZOU-KRWDZBQOSA-N 1 1 336.439 2.957 40 0 EFABMO Cc1cnn(C)c1C[NH+]1CC2(C1)CO[C@H](Cc1ccc(F)cc1)C2 ZINC000257300444 474941236 /nfs/dbraw/zinc/94/12/36/474941236.db2.gz RUHIHPXFECCOQY-QGZVFWFLSA-N 1 1 329.419 2.701 40 0 EFABMO Cc1ccsc1C[N@H+]1CCC[C@@H](Cc2cc(C(N)=O)nc(C)n2)C1 ZINC000257300582 474941627 /nfs/dbraw/zinc/94/16/27/474941627.db2.gz RUWNWALRKTVCOQ-AWEZNQCLSA-N 1 1 344.484 2.709 40 0 EFABMO Cc1noc(C)c1C(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257305298 474943943 /nfs/dbraw/zinc/94/39/43/474943943.db2.gz SPICYBMKUOYTGX-OAHLLOKOSA-N 1 1 328.416 2.736 40 0 EFABMO Cn1cc(C[N@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)cn1 ZINC000257307843 474944831 /nfs/dbraw/zinc/94/48/31/474944831.db2.gz TUJGQOGTIXCVSK-HNNXBMFYSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1nccc1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257308841 474944864 /nfs/dbraw/zinc/94/48/64/474944864.db2.gz TYIKLUJPTSBFSU-PMACEKPBSA-N 1 1 341.455 2.760 40 0 EFABMO Cn1cncc1C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257319361 474951497 /nfs/dbraw/zinc/95/14/97/474951497.db2.gz VSBIRKQOZWNRGD-MRXNPFEDSA-N 1 1 325.412 2.857 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257326799 474955411 /nfs/dbraw/zinc/95/54/11/474955411.db2.gz WYPVDPOTVJYVCE-INIZCTEOSA-N 1 1 334.427 2.950 40 0 EFABMO Cc1c[nH]c(-c2cnc(C[C@@H]3CC[N@@H+](Cc4cncs4)C3)cn2)n1 ZINC000257330197 474957405 /nfs/dbraw/zinc/95/74/05/474957405.db2.gz XNHGPYRVVPKERR-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO Cn1ccnc1C[N@@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 ZINC000257335092 474959203 /nfs/dbraw/zinc/95/92/03/474959203.db2.gz YIQNTKJGHFMGST-PXNSSMCTSA-N 1 1 338.455 2.576 40 0 EFABMO Cn1ccnc1C[N@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 ZINC000257335092 474959209 /nfs/dbraw/zinc/95/92/09/474959209.db2.gz YIQNTKJGHFMGST-PXNSSMCTSA-N 1 1 338.455 2.576 40 0 EFABMO CCn1ccnc1C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257334311 474959225 /nfs/dbraw/zinc/95/92/25/474959225.db2.gz YFJWTOKGZRGTJX-FXAWDEMLSA-N 1 1 338.455 2.541 40 0 EFABMO CCn1ccnc1C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257334311 474959233 /nfs/dbraw/zinc/95/92/33/474959233.db2.gz YFJWTOKGZRGTJX-FXAWDEMLSA-N 1 1 338.455 2.541 40 0 EFABMO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)cn1 ZINC000257332399 474959467 /nfs/dbraw/zinc/95/94/67/474959467.db2.gz XXDVIFUQAOCUNS-LJQANCHMSA-N 1 1 341.459 2.661 40 0 EFABMO CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(CNC(C)=O)cn2)cn1 ZINC000257332399 474959475 /nfs/dbraw/zinc/95/94/75/474959475.db2.gz XXDVIFUQAOCUNS-LJQANCHMSA-N 1 1 341.459 2.661 40 0 EFABMO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257331421 474959937 /nfs/dbraw/zinc/95/99/37/474959937.db2.gz XSUCFUURZGTCLJ-FQEVSTJZSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257331421 474959944 /nfs/dbraw/zinc/95/99/44/474959944.db2.gz XSUCFUURZGTCLJ-FQEVSTJZSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1nccc(C[N@H+](C)[C@@H]2CCC[C@H](Oc3ccccc3)[C@H]2O)n1 ZINC000257331938 474959961 /nfs/dbraw/zinc/95/99/61/474959961.db2.gz XUZBDEFVTDBOTR-QYZOEREBSA-N 1 1 327.428 2.578 40 0 EFABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](Cc3[nH]cnc3C)CC[C@H]21 ZINC000257331444 474960135 /nfs/dbraw/zinc/96/01/35/474960135.db2.gz XSWIZBFRDSSUAH-QWFCFKBJSA-N 1 1 338.455 2.555 40 0 EFABMO Cc1c[nH]nc1C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000257335294 474960684 /nfs/dbraw/zinc/96/06/84/474960684.db2.gz YJNWQQAHKUDWDA-MRXNPFEDSA-N 1 1 343.475 2.909 40 0 EFABMO Cn1ccnc1-c1cnc([C@H]2CCC[N@@H+]2Cc2cncs2)cn1 ZINC000257340458 474963584 /nfs/dbraw/zinc/96/35/84/474963584.db2.gz ZGFUEHNVTYFRMR-OAHLLOKOSA-N 1 1 326.429 2.671 40 0 EFABMO Cn1ccnc1-c1cnc([C@H]2CCC[N@H+]2Cc2cncs2)cn1 ZINC000257340458 474963594 /nfs/dbraw/zinc/96/35/94/474963594.db2.gz ZGFUEHNVTYFRMR-OAHLLOKOSA-N 1 1 326.429 2.671 40 0 EFABMO Cc1cnc(N(C)[C@@H]2CC[C@@H]3C[N@@H+](Cc4cncs4)C[C@H]23)cn1 ZINC000257338161 474964364 /nfs/dbraw/zinc/96/43/64/474964364.db2.gz YWFFEALDBJVVJM-VNQPRFMTSA-N 1 1 329.473 2.588 40 0 EFABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 ZINC000257344758 474965100 /nfs/dbraw/zinc/96/51/00/474965100.db2.gz ZYOZVMBAESOUFC-INIZCTEOSA-N 1 1 341.459 2.660 40 0 EFABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cc1cccc(F)c1 ZINC000261675802 475019265 /nfs/dbraw/zinc/01/92/65/475019265.db2.gz BOVBSHOPYZBAQZ-QGZVFWFLSA-N 1 1 328.387 2.550 40 0 EFABMO O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(n2cccn2)CC1 ZINC000363347633 476660941 /nfs/dbraw/zinc/66/09/41/476660941.db2.gz KHWZCAUIKNQMQD-INIZCTEOSA-N 1 1 330.476 2.701 40 0 EFABMO CC(C)(C)n1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cn1 ZINC000449418435 477563805 /nfs/dbraw/zinc/56/38/05/477563805.db2.gz CWKJJEWQNUCWET-IEBWSBKVSA-N 1 1 331.435 2.938 40 0 EFABMO CC(C)(C)n1cc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cn1 ZINC000449418435 477563809 /nfs/dbraw/zinc/56/38/09/477563809.db2.gz CWKJJEWQNUCWET-IEBWSBKVSA-N 1 1 331.435 2.938 40 0 EFABMO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000514288651 479020243 /nfs/dbraw/zinc/02/02/43/479020243.db2.gz MJCMXBIETUQVNZ-HIFRSBDPSA-N 1 1 340.345 2.775 40 0 biogenic,in-vitro EFABMO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000514289795 479022624 /nfs/dbraw/zinc/02/26/24/479022624.db2.gz ORRKSYVBCUHDNN-QUCCMNQESA-N 1 1 349.434 2.676 40 0 biogenic,in-vitro EFABMO Cn1cnc2c1C[C@@H](COCc1ccncc1)[N@H+](C1CCCC1)C2 ZINC000585094691 479280080 /nfs/dbraw/zinc/28/00/80/479280080.db2.gz HTSVTIQAWZFIEY-KRWDZBQOSA-N 1 1 326.444 2.701 40 0 EFABMO C[C@H]1Cc2nnc(COc3ncccc3F)n2CC[N@H+]1C1CCCC1 ZINC000585098177 479280731 /nfs/dbraw/zinc/28/07/31/479280731.db2.gz QTRRBFIFGPDMAC-ZDUSSCGKSA-N 1 1 345.422 2.580 40 0 EFABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1CC1CC1 ZINC000585096733 479281020 /nfs/dbraw/zinc/28/10/20/479281020.db2.gz BNMFFRNNCYSFBI-NSHDSACASA-N 1 1 333.823 2.692 40 0 EFABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1CC1CC1 ZINC000585096733 479281028 /nfs/dbraw/zinc/28/10/28/479281028.db2.gz BNMFFRNNCYSFBI-NSHDSACASA-N 1 1 333.823 2.692 40 0 EFABMO C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1C1CCC1 ZINC000585097514 479281312 /nfs/dbraw/zinc/28/13/12/479281312.db2.gz KVQYZEPADMHJAO-LBPRGKRZSA-N 1 1 347.850 2.705 40 0 EFABMO CCOCc1nnc2n1CC[N@H+](Cc1cccc3[nH]ccc31)[C@@H](C)C2 ZINC000585097113 479281327 /nfs/dbraw/zinc/28/13/27/479281327.db2.gz FWJUPKYYTLYILF-AWEZNQCLSA-N 1 1 339.443 2.743 40 0 EFABMO COCC[N@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100839 479283341 /nfs/dbraw/zinc/28/33/41/479283341.db2.gz YNAAEQAYVRWFDP-LJQANCHMSA-N 1 1 334.435 2.819 40 0 EFABMO O=C1N(Cc2cncs2)C[C@@]12CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000585099703 479283465 /nfs/dbraw/zinc/28/34/65/479283465.db2.gz YTFXQPOCQWWYJF-HNNXBMFYSA-N 1 1 341.427 2.613 40 0 EFABMO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585103728 479284060 /nfs/dbraw/zinc/28/40/60/479284060.db2.gz FNYXVIYOFPNUEI-PXNSSMCTSA-N 1 1 330.472 2.955 40 0 EFABMO C[N@@H+]1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCC1)C2 ZINC000585102664 479284274 /nfs/dbraw/zinc/28/42/74/479284274.db2.gz FFZPIUZWMAYPRI-LJQANCHMSA-N 1 1 329.488 2.795 40 0 EFABMO C[N@H+]1CC[C@@H](COCc2ccncc2)CC12CN(CC1CCC1)C2 ZINC000585102664 479284277 /nfs/dbraw/zinc/28/42/77/479284277.db2.gz FFZPIUZWMAYPRI-LJQANCHMSA-N 1 1 329.488 2.795 40 0 EFABMO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585103729 479284454 /nfs/dbraw/zinc/28/44/54/479284454.db2.gz FNYXVIYOFPNUEI-XLIONFOSSA-N 1 1 330.472 2.955 40 0 EFABMO Cc1ccccc1C[N@@H+]1CCOC[C@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585104361 479286309 /nfs/dbraw/zinc/28/63/09/479286309.db2.gz LCMDMFXSHBOPAJ-HXUWFJFHSA-N 1 1 330.472 2.702 40 0 EFABMO C[N@H+]1CCN(Cc2c[nH]cn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585182504 479302995 /nfs/dbraw/zinc/30/29/95/479302995.db2.gz NYQTWIJLNUQBEA-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@@H+]1CCN(Cc2cnc[nH]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585182504 479302999 /nfs/dbraw/zinc/30/29/99/479302999.db2.gz NYQTWIJLNUQBEA-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@H+]1CCN(Cc2cnc[nH]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585182504 479303003 /nfs/dbraw/zinc/30/30/03/479303003.db2.gz NYQTWIJLNUQBEA-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO CC(C)n1nccc1C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269248 479303127 /nfs/dbraw/zinc/30/31/27/479303127.db2.gz MUQMHAOLYOPMRU-IBGZPJMESA-N 1 1 329.444 2.870 40 0 EFABMO CC(C)n1nccc1C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269248 479303135 /nfs/dbraw/zinc/30/31/35/479303135.db2.gz MUQMHAOLYOPMRU-IBGZPJMESA-N 1 1 329.444 2.870 40 0 EFABMO COCCOc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OC ZINC000585270378 479304079 /nfs/dbraw/zinc/30/40/79/479304079.db2.gz VPTOKBBZWMZDFV-SFHVURJKSA-N 1 1 345.439 2.886 40 0 EFABMO O[C@]1(COc2cccc(F)c2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585275350 479304608 /nfs/dbraw/zinc/30/46/08/479304608.db2.gz CWGAOKCSBHSXAD-IBGZPJMESA-N 1 1 337.435 2.991 40 0 EFABMO CO[C@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585276500 479305948 /nfs/dbraw/zinc/30/59/48/479305948.db2.gz KIQAAZLZYPGTJH-LJQANCHMSA-N 1 1 327.428 2.763 40 0 EFABMO CO[C@@]1(COc2ccccc2C)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585278363 479307608 /nfs/dbraw/zinc/30/76/08/479307608.db2.gz RMGUPCWCKXKSRF-IBGZPJMESA-N 1 1 327.428 2.763 40 0 EFABMO C[C@@]1(C(N)=O)CCC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282270 479307776 /nfs/dbraw/zinc/30/77/76/479307776.db2.gz COFJVRHHJKXIDU-RLLQIKCJSA-N 1 1 330.472 2.663 40 0 EFABMO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@H+](C3CCCC3)C2)c1 ZINC000585281599 479308248 /nfs/dbraw/zinc/30/82/48/479308248.db2.gz MKTOZBMBSMBPBN-HXUWFJFHSA-N 1 1 333.472 2.997 40 0 EFABMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC[C@@H](Oc2ccc(C)cc2)[C@@H]1O ZINC000585287357 479309490 /nfs/dbraw/zinc/30/94/90/479309490.db2.gz YPIVQSVCCIGVJP-ATZDWAIDSA-N 1 1 329.444 2.725 40 0 EFABMO Cc1ccccc1O[C@@H]1CCC[C@H](N2CC[NH+](C(C)C)CC2)[C@H]1O ZINC000585289996 479310734 /nfs/dbraw/zinc/31/07/34/479310734.db2.gz YVDBRIJHSJRCIJ-DFQSSKMNSA-N 1 1 332.488 2.682 40 0 EFABMO CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cc1 ZINC000585293994 479311104 /nfs/dbraw/zinc/31/11/04/479311104.db2.gz CNIOYEKEBKOKEL-NJDAHSKKSA-N 1 1 341.451 2.715 40 0 EFABMO COC1CC[NH+](C2CN(C(=O)c3cc4cc(F)ccc4s3)C2)CC1 ZINC000575611060 479453333 /nfs/dbraw/zinc/45/33/33/479453333.db2.gz SCZVSZOLZDTRMT-UHFFFAOYSA-N 1 1 348.443 2.976 40 0 EFABMO CS(=O)(=O)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000649443842 482076317 /nfs/dbraw/zinc/07/63/17/482076317.db2.gz OMSHOWDRCJKPJG-UHFFFAOYSA-N 1 1 331.437 2.589 40 0 EFABMO COc1ccc2c(c1)[C@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)CCC2 ZINC000655000643 482125755 /nfs/dbraw/zinc/12/57/55/482125755.db2.gz YNUHWFCZRRGRKR-GOSISDBHSA-N 1 1 328.456 2.883 40 0 EFABMO CCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000244390870 519912726 /nfs/dbraw/zinc/91/27/26/519912726.db2.gz YFMCTGHYVZPMHK-UHFFFAOYSA-N 1 1 337.467 2.857 40 0 EFABMO COC[C@H]1CCC2(CCN(C(=O)CCOc3ccccc3)CC2)[N@H+]1C ZINC000096209541 522811343 /nfs/dbraw/zinc/81/13/43/522811343.db2.gz FCLMSBMIOLUVOV-QGZVFWFLSA-N 1 1 346.471 2.557 40 0 EFABMO CNC(=O)c1cnc(C2(C)CC[NH+](Cc3cncs3)CC2)s1 ZINC000257278857 536438514 /nfs/dbraw/zinc/43/85/14/536438514.db2.gz ODYHONSWQUPVEB-UHFFFAOYSA-N 1 1 336.486 2.513 40 0 EFABMO C[NH+](C)Cc1c[nH]c([C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)n1 ZINC000257238711 536058920 /nfs/dbraw/zinc/05/89/20/536058920.db2.gz HMEULUBOYHDKOQ-CYBMUJFWSA-N 1 1 332.835 2.754 40 0 EFABMO C[NH+](C)Cc1cnc([C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)[nH]1 ZINC000257238711 536058924 /nfs/dbraw/zinc/05/89/24/536058924.db2.gz HMEULUBOYHDKOQ-CYBMUJFWSA-N 1 1 332.835 2.754 40 0 EFABMO CCc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)on1 ZINC000257267365 536099968 /nfs/dbraw/zinc/09/99/68/536099968.db2.gz MGZFYSYKKBOHOQ-OAHLLOKOSA-N 1 1 328.416 2.681 40 0 EFABMO COC[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289793 536828299 /nfs/dbraw/zinc/82/82/99/536828299.db2.gz FEPMXSHENAYPHZ-GHJWDPDVSA-N 1 1 342.842 2.871 40 0 EFABMO COc1ccccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257262708 537089054 /nfs/dbraw/zinc/08/90/54/537089054.db2.gz LMMRUENIXOCWPQ-ICSRJNTNSA-N 1 1 346.471 2.939 40 0 EFABMO CCn1nncc1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000585087352 546371325 /nfs/dbraw/zinc/37/13/25/546371325.db2.gz SIXQNRPVUQMNGQ-YZGWKJHDSA-N 1 1 339.487 2.688 40 0 EFABMO CC(C)(C)OC(=O)N1CCC[C@@H]1C1([NH2+]Cc2ccccc2)COC1 ZINC000575624152 564131384 /nfs/dbraw/zinc/13/13/84/564131384.db2.gz NXBIRYCVTLLUME-MRXNPFEDSA-N 1 1 332.444 2.945 40 0 EFABMO O=C(NC1CCC1)[C@@H]1C[N@@H+](CC2CC2)[C@H]2c3cc(F)ccc3OC[C@H]21 ZINC001772595887 1249167189 /nfs/dbraw/zinc/16/71/89/1249167189.db2.gz QRFXHUZODSMINX-AOIWGVFYSA-N 1 1 344.430 2.886 40 0 EFABMO Cc1c[nH+]c(C2CCN(C(=O)c3ccc(C)cc3C)CC2)n1CCO ZINC000675021005 1099657196 /nfs/dbraw/zinc/65/71/96/1099657196.db2.gz JXEHHJPKCNGQMH-UHFFFAOYSA-N 1 1 341.455 2.820 40 0 EFABMO Cc1ncc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012337513 282152337 /nfs/dbraw/zinc/15/23/37/282152337.db2.gz IDXCSEPCVWETIS-UHFFFAOYSA-N 1 1 325.412 2.729 40 0 EFABMO Cc1ncc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012337513 282152345 /nfs/dbraw/zinc/15/23/45/282152345.db2.gz IDXCSEPCVWETIS-UHFFFAOYSA-N 1 1 325.412 2.729 40 0 EFABMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000191871494 529840620 /nfs/dbraw/zinc/84/06/20/529840620.db2.gz KRMPZTUKKPMKGS-UHFFFAOYSA-N 1 1 347.459 2.956 40 0 EFABMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000191871494 529840621 /nfs/dbraw/zinc/84/06/21/529840621.db2.gz KRMPZTUKKPMKGS-UHFFFAOYSA-N 1 1 347.459 2.956 40 0 EFABMO COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cnn(C)c2)cc1 ZINC000012408128 201844780 /nfs/dbraw/zinc/84/47/80/201844780.db2.gz VXGSXMCODLSMLB-FCEWJHQRSA-N 1 1 327.428 2.861 40 0 EFABMO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)s1 ZINC000019217257 202001169 /nfs/dbraw/zinc/00/11/69/202001169.db2.gz BISIZDJDHNJZBH-GBESFXJTSA-N 1 1 342.508 2.919 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)s1 ZINC000019217257 202001174 /nfs/dbraw/zinc/00/11/74/202001174.db2.gz BISIZDJDHNJZBH-GBESFXJTSA-N 1 1 342.508 2.919 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)s1 ZINC000019217257 202001178 /nfs/dbraw/zinc/00/11/78/202001178.db2.gz BISIZDJDHNJZBH-GBESFXJTSA-N 1 1 342.508 2.919 40 0 EFABMO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291395 202002067 /nfs/dbraw/zinc/00/20/67/202002067.db2.gz KGZMVCMNMYCUAM-XEWABKELSA-N 1 1 341.455 2.548 40 0 EFABMO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1cccc(F)c1)CC2 ZINC000019293889 202002107 /nfs/dbraw/zinc/00/21/07/202002107.db2.gz CCKRSOOMHGFMQD-UHFFFAOYSA-N 1 1 336.370 2.529 40 0 EFABMO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000019293889 202002110 /nfs/dbraw/zinc/00/21/10/202002110.db2.gz CCKRSOOMHGFMQD-UHFFFAOYSA-N 1 1 336.370 2.529 40 0 EFABMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)cc(=O)[nH]1 ZINC000019285246 202003083 /nfs/dbraw/zinc/00/30/83/202003083.db2.gz SNWYSCRLSBXFFJ-MRXNPFEDSA-N 1 1 327.428 2.855 40 0 EFABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1CO ZINC000019287484 202003324 /nfs/dbraw/zinc/00/33/24/202003324.db2.gz XGRPNHXPPQICPU-MAUKXSAKSA-N 1 1 325.412 2.548 40 0 EFABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1CO ZINC000019287484 202003326 /nfs/dbraw/zinc/00/33/26/202003326.db2.gz XGRPNHXPPQICPU-MAUKXSAKSA-N 1 1 325.412 2.548 40 0 EFABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccn1-c1ccccc1F ZINC000019368479 202005661 /nfs/dbraw/zinc/00/56/61/202005661.db2.gz CWJOIYNGCMPPAY-SJORKVTESA-N 1 1 343.446 2.647 40 0 EFABMO Fc1ccccc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019348697 202006304 /nfs/dbraw/zinc/00/63/04/202006304.db2.gz AEPOWGQISKNRTF-UHFFFAOYSA-N 1 1 343.446 2.945 40 0 EFABMO Fc1ccccc1C[N@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019348697 202006308 /nfs/dbraw/zinc/00/63/08/202006308.db2.gz AEPOWGQISKNRTF-UHFFFAOYSA-N 1 1 343.446 2.945 40 0 EFABMO Fc1ccccc1C[N@@H+](CCCN1CCOCC1)Cc1cccnc1 ZINC000019348697 202006309 /nfs/dbraw/zinc/00/63/09/202006309.db2.gz AEPOWGQISKNRTF-UHFFFAOYSA-N 1 1 343.446 2.945 40 0 EFABMO O=c1cc([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402855 202006806 /nfs/dbraw/zinc/00/68/06/202006806.db2.gz KWSCHPBLUXFIHA-JKSUJKDBSA-N 1 1 336.439 2.978 40 0 EFABMO COc1ccc2ccccc2c1CN1C[C@H]2CCC[N@H+]2C[C@@H]1CCO ZINC000019564033 202010969 /nfs/dbraw/zinc/01/09/69/202010969.db2.gz SMYBPMHPKGPSBL-MSOLQXFVSA-N 1 1 340.467 2.879 40 0 EFABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C)c(C)c(=O)[nH]2)C1 ZINC000019555416 202011682 /nfs/dbraw/zinc/01/16/82/202011682.db2.gz UDLXPAQTRWQGLT-MRXNPFEDSA-N 1 1 327.428 2.775 40 0 EFABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019591930 202012357 /nfs/dbraw/zinc/01/23/57/202012357.db2.gz XITTYVVJNZFZCY-QZTJIDSGSA-N 1 1 340.398 2.503 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c(C)c1C ZINC000019577276 202013462 /nfs/dbraw/zinc/01/34/62/202013462.db2.gz ANTKICJGFGMMLM-INIZCTEOSA-N 1 1 327.428 2.693 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C3CCCCC3)ncc2C1 ZINC000019590496 202013817 /nfs/dbraw/zinc/01/38/17/202013817.db2.gz OWNMTGYKSWQOMF-KRWDZBQOSA-N 1 1 328.460 2.708 40 0 EFABMO CN(C(=O)C[N@@H+]1CCC[C@H](O)C1)C(c1ccccc1)c1ccccc1 ZINC000020941386 202059448 /nfs/dbraw/zinc/05/94/48/202059448.db2.gz SXEIEPVSAAKQMG-IBGZPJMESA-N 1 1 338.451 2.691 40 0 EFABMO CN(C(=O)C[N@H+]1CCC[C@H](O)C1)C(c1ccccc1)c1ccccc1 ZINC000020941386 202059453 /nfs/dbraw/zinc/05/94/53/202059453.db2.gz SXEIEPVSAAKQMG-IBGZPJMESA-N 1 1 338.451 2.691 40 0 EFABMO CCOc1ccc(CCC(=O)N2CC[NH+](CC)CC2)cc1OCC ZINC000022532181 202087188 /nfs/dbraw/zinc/08/71/88/202087188.db2.gz HNBLZBXXKRRDSK-UHFFFAOYSA-N 1 1 334.460 2.581 40 0 EFABMO CC[N@@H+]1CCC[C@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029793 202078010 /nfs/dbraw/zinc/07/80/10/202078010.db2.gz VHZCEHVYTHWFHP-ZDUSSCGKSA-N 1 1 345.365 2.598 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029793 202078011 /nfs/dbraw/zinc/07/80/11/202078011.db2.gz VHZCEHVYTHWFHP-ZDUSSCGKSA-N 1 1 345.365 2.598 40 0 EFABMO Cc1ccc(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023674522 202107722 /nfs/dbraw/zinc/10/77/22/202107722.db2.gz GQAXRDYXUJNOIH-UHFFFAOYSA-N 1 1 338.451 2.686 40 0 EFABMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000040002694 202166687 /nfs/dbraw/zinc/16/66/87/202166687.db2.gz MREGOWINVGCUHI-SFHVURJKSA-N 1 1 330.403 2.966 40 0 EFABMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000040002694 202166691 /nfs/dbraw/zinc/16/66/91/202166691.db2.gz MREGOWINVGCUHI-SFHVURJKSA-N 1 1 330.403 2.966 40 0 EFABMO O=C(Cc1ccc(F)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882119 202191180 /nfs/dbraw/zinc/19/11/80/202191180.db2.gz OBQBWEJABFOKDP-UHFFFAOYSA-N 1 1 342.414 2.517 40 0 EFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000030946007 202201977 /nfs/dbraw/zinc/20/19/77/202201977.db2.gz BBJISOVSXGIBGS-UHFFFAOYSA-N 1 1 334.379 2.591 40 0 EFABMO C=Cn1cc(CN2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)c(C)n1 ZINC000036740666 202330750 /nfs/dbraw/zinc/33/07/50/202330750.db2.gz DYXBJPUJNMXQIG-GOSISDBHSA-N 1 1 338.455 2.728 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000036741287 202331046 /nfs/dbraw/zinc/33/10/46/202331046.db2.gz IEXJXWCUJQTYAV-ICSRJNTNSA-N 1 1 345.414 2.851 40 0 EFABMO O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632559 202364873 /nfs/dbraw/zinc/36/48/73/202364873.db2.gz ACWDXHUNXBWLAQ-OAHLLOKOSA-N 1 1 343.452 2.724 40 0 EFABMO O=C(Nc1nccs1)[C@H]1CCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000072632559 202364876 /nfs/dbraw/zinc/36/48/76/202364876.db2.gz ACWDXHUNXBWLAQ-OAHLLOKOSA-N 1 1 343.452 2.724 40 0 EFABMO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075839148 202377695 /nfs/dbraw/zinc/37/76/95/202377695.db2.gz XXXYRKXRNONTEG-IUODEOHRSA-N 1 1 343.393 2.957 40 0 EFABMO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075839148 202377699 /nfs/dbraw/zinc/37/76/99/202377699.db2.gz XXXYRKXRNONTEG-IUODEOHRSA-N 1 1 343.393 2.957 40 0 EFABMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000075714698 202382850 /nfs/dbraw/zinc/38/28/50/202382850.db2.gz YYMWIOAPRCKAOB-CYBMUJFWSA-N 1 1 330.350 2.858 40 0 EFABMO CC[C@H]1c2ccccc2CCN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000073678760 202370938 /nfs/dbraw/zinc/37/09/38/202370938.db2.gz ZJVWMGYQYIOMGK-IBGZPJMESA-N 1 1 329.488 2.550 40 0 EFABMO CS(=O)(=O)c1ccc(OCC[NH2+]Cc2c(F)cccc2F)cc1 ZINC000078602412 202397396 /nfs/dbraw/zinc/39/73/96/202397396.db2.gz FCRVKQRSCDFYMY-UHFFFAOYSA-N 1 1 341.379 2.537 40 0 EFABMO Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000076981448 202388461 /nfs/dbraw/zinc/38/84/61/202388461.db2.gz OEZHILIETPXKMN-IUODEOHRSA-N 1 1 336.505 2.947 40 0 EFABMO Fc1cc2ncnc(N3CCC[N@H+](C4CCOCC4)CC3)c2cc1F ZINC000078294916 202390733 /nfs/dbraw/zinc/39/07/33/202390733.db2.gz YVGCGDHMEBTVBD-UHFFFAOYSA-N 1 1 348.397 2.599 40 0 EFABMO CSCC[C@@H](C)NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000077666674 202392939 /nfs/dbraw/zinc/39/29/39/202392939.db2.gz KVMTXARYVKUYCX-CQSZACIVSA-N 1 1 336.505 2.800 40 0 EFABMO CC[NH+]1CCN(C(=O)c2cc(C)cc(Br)c2OC)CC1 ZINC000057339300 201139458 /nfs/dbraw/zinc/13/94/58/201139458.db2.gz CRFPUYAQAFHFRK-UHFFFAOYSA-N 1 1 341.249 2.544 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343963 201152398 /nfs/dbraw/zinc/15/23/98/201152398.db2.gz WQHOGAYPOLSXLI-DAXOMENPSA-N 1 1 340.826 2.767 40 0 EFABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)nn1 ZINC000283227329 201329401 /nfs/dbraw/zinc/32/94/01/201329401.db2.gz TYUVCSSWBHVCSL-HZPDHXFCSA-N 1 1 331.416 2.947 40 0 EFABMO COc1ccc(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000023235085 212361715 /nfs/dbraw/zinc/36/17/15/212361715.db2.gz UEIJMMSAZVGPDP-OKILXGFUSA-N 1 1 335.448 2.705 40 0 EFABMO COc1ccc(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000023235085 212361718 /nfs/dbraw/zinc/36/17/18/212361718.db2.gz UEIJMMSAZVGPDP-OKILXGFUSA-N 1 1 335.448 2.705 40 0 EFABMO CCC(CC)[C@H](CNC(=O)c1ccc(Cl)o1)[NH+]1CCOCC1 ZINC000022899323 212333336 /nfs/dbraw/zinc/33/33/36/212333336.db2.gz QQPVRQGOLIHOEU-ZDUSSCGKSA-N 1 1 328.840 2.800 40 0 EFABMO Cc1ccc(C[N@H+]2CCCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022832022 212326852 /nfs/dbraw/zinc/32/68/52/212326852.db2.gz HKKATMXDCMOYPH-UHFFFAOYSA-N 1 1 337.467 2.802 40 0 EFABMO Cc1ccc(CN2CCC[N@H+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022832022 212326856 /nfs/dbraw/zinc/32/68/56/212326856.db2.gz HKKATMXDCMOYPH-UHFFFAOYSA-N 1 1 337.467 2.802 40 0 EFABMO Cc1ccc(CN2CCC[N@@H+](Cc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000022832022 212326858 /nfs/dbraw/zinc/32/68/58/212326858.db2.gz HKKATMXDCMOYPH-UHFFFAOYSA-N 1 1 337.467 2.802 40 0 EFABMO O=C(C[N@H+]1CC[C@H](CO)C1)N1c2ccccc2CCc2ccccc21 ZINC000193379249 240139821 /nfs/dbraw/zinc/13/98/21/240139821.db2.gz YPOLLBFMPPOMGK-INIZCTEOSA-N 1 1 336.435 2.764 40 0 EFABMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1c2ccccc2CCc2ccccc21 ZINC000193379249 240139826 /nfs/dbraw/zinc/13/98/26/240139826.db2.gz YPOLLBFMPPOMGK-INIZCTEOSA-N 1 1 336.435 2.764 40 0 EFABMO Nc1cc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)ccn1 ZINC000193544419 240208566 /nfs/dbraw/zinc/20/85/66/240208566.db2.gz ZYHUEJABEVBHKS-GFCCVEGCSA-N 1 1 325.338 2.716 40 0 EFABMO CCc1ncc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000193852547 240335484 /nfs/dbraw/zinc/33/54/84/240335484.db2.gz OVQFRQYAYDHEOO-INIZCTEOSA-N 1 1 339.443 2.683 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)n1 ZINC000257341274 240313223 /nfs/dbraw/zinc/31/32/23/240313223.db2.gz ZJPPOYKFCRCDOA-OALUTQOASA-N 1 1 330.403 2.933 40 0 EFABMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(NC)n2)cc1CO ZINC000257339713 240313305 /nfs/dbraw/zinc/31/33/05/240313305.db2.gz ZCWPMXGRMVQSHN-QGZVFWFLSA-N 1 1 342.443 2.746 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(NC)n2)cc1CO ZINC000257339713 240313313 /nfs/dbraw/zinc/31/33/13/240313313.db2.gz ZCWPMXGRMVQSHN-QGZVFWFLSA-N 1 1 342.443 2.746 40 0 EFABMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN([C@H](C)c2cnccn2)C1 ZINC000225718864 242002730 /nfs/dbraw/zinc/00/27/30/242002730.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000225718864 242002741 /nfs/dbraw/zinc/00/27/41/242002741.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+]([C@H](C)c2cnccn2)C1 ZINC000225718864 242002746 /nfs/dbraw/zinc/00/27/46/242002746.db2.gz WBYZORUJUFCYPI-CABCVRRESA-N 1 1 331.489 2.756 40 0 EFABMO Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCOCC(C)C)CC1 ZINC000225719748 242002905 /nfs/dbraw/zinc/00/29/05/242002905.db2.gz RKPLFCCNIOHMBU-UHFFFAOYSA-N 1 1 347.503 2.532 40 0 EFABMO COc1ccccc1N1CC[C@H]([N@H+](C)[C@H](C)c2ccncc2)C1=O ZINC000225726465 242005806 /nfs/dbraw/zinc/00/58/06/242005806.db2.gz ASZIWCSFJUBEGO-PBHICJAKSA-N 1 1 325.412 2.889 40 0 EFABMO COc1ccccc1N1CC[C@H]([N@@H+](C)[C@H](C)c2ccncc2)C1=O ZINC000225726465 242005813 /nfs/dbraw/zinc/00/58/13/242005813.db2.gz ASZIWCSFJUBEGO-PBHICJAKSA-N 1 1 325.412 2.889 40 0 EFABMO CCc1nc2c(C)nn(CC)c2c(NCCCn2cc[nH+]c2C)n1 ZINC000226688129 242109531 /nfs/dbraw/zinc/10/95/31/242109531.db2.gz HCHBCVIHGDSMDJ-UHFFFAOYSA-N 1 1 327.436 2.724 40 0 EFABMO C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CC(c2cccs2)=NO1)c1ccco1 ZINC000226749558 242112554 /nfs/dbraw/zinc/11/25/54/242112554.db2.gz YDUGHNFRXLYYEF-GUYCJALGSA-N 1 1 347.440 2.643 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000230082190 242227393 /nfs/dbraw/zinc/22/73/93/242227393.db2.gz FTKNIZLWTDTSCA-MSOLQXFVSA-N 1 1 327.428 2.752 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000230082190 242227400 /nfs/dbraw/zinc/22/74/00/242227400.db2.gz FTKNIZLWTDTSCA-MSOLQXFVSA-N 1 1 327.428 2.752 40 0 EFABMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cccc3cccnc32)C[C@H](C)O1 ZINC000021058388 212204217 /nfs/dbraw/zinc/20/42/17/212204217.db2.gz QNCATBYGQMOBLS-GJZGRUSLSA-N 1 1 341.455 2.852 40 0 EFABMO Cn1ccc(CN[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000242191450 243013531 /nfs/dbraw/zinc/01/35/31/243013531.db2.gz XFPBVVPQXKOPMB-INIZCTEOSA-N 1 1 338.377 2.803 40 0 EFABMO Cn1ccc(CN[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000242191450 243013537 /nfs/dbraw/zinc/01/35/37/243013537.db2.gz XFPBVVPQXKOPMB-INIZCTEOSA-N 1 1 338.377 2.803 40 0 EFABMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H](O)CN1CCCC1=O ZINC000241775892 243001218 /nfs/dbraw/zinc/00/12/18/243001218.db2.gz RPZLUEYMCCULTN-SOLBZPMBSA-N 1 1 346.471 2.594 40 0 EFABMO c1nnc([C@@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)n1C1CC1 ZINC000091630669 203075726 /nfs/dbraw/zinc/07/57/26/203075726.db2.gz LFASCYHFVVUECD-QGZVFWFLSA-N 1 1 338.455 2.970 40 0 EFABMO c1cc2n(n1)C[C@H](OCc1ccncc1)C[N@H+](CC1CCCC1)C2 ZINC000253588544 244026992 /nfs/dbraw/zinc/02/69/92/244026992.db2.gz HFJISJMGGRHTOT-LJQANCHMSA-N 1 1 326.444 2.869 40 0 EFABMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC2CCSCC2)C1 ZINC000092160967 203078805 /nfs/dbraw/zinc/07/88/05/203078805.db2.gz LUHUZKCCHGYWJR-OAHLLOKOSA-N 1 1 333.501 2.691 40 0 EFABMO Cn1ccnc1-c1nccnc1C1CC[NH+](Cc2cscn2)CC1 ZINC000257199974 244115171 /nfs/dbraw/zinc/11/51/71/244115171.db2.gz ABMORHAHHCXLEM-UHFFFAOYSA-N 1 1 340.456 2.713 40 0 EFABMO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@@H+]1CC1(O)CCCCC1 ZINC000257200196 244117306 /nfs/dbraw/zinc/11/73/06/244117306.db2.gz ACJDJPDUIXWJEW-SFHVURJKSA-N 1 1 346.471 2.596 40 0 EFABMO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@H+]1CC1(O)CCCCC1 ZINC000257200196 244117312 /nfs/dbraw/zinc/11/73/12/244117312.db2.gz ACJDJPDUIXWJEW-SFHVURJKSA-N 1 1 346.471 2.596 40 0 EFABMO Cc1cccc(N2CCC[C@H](NC(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257206329 244137380 /nfs/dbraw/zinc/13/73/80/244137380.db2.gz BCXBLQKSSDYQJN-HNNXBMFYSA-N 1 1 335.411 2.665 40 0 EFABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccnn2C(C)C)nc1 ZINC000257203810 244128358 /nfs/dbraw/zinc/12/83/58/244128358.db2.gz ARSLEXYEQVTBKD-IBGZPJMESA-N 1 1 341.459 2.832 40 0 EFABMO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)nc1 ZINC000257203810 244128361 /nfs/dbraw/zinc/12/83/61/244128361.db2.gz ARSLEXYEQVTBKD-IBGZPJMESA-N 1 1 341.459 2.832 40 0 EFABMO Cc1cc(C(F)F)n(CC(=O)N2CCC[C@@H]3[N@@H+](C)CCC[C@@]32C)n1 ZINC000257207823 244140980 /nfs/dbraw/zinc/14/09/80/244140980.db2.gz BJLGRWFKZJGXHZ-YOEHRIQHSA-N 1 1 340.418 2.604 40 0 EFABMO Cc1c[nH]c(-c2cc([C@@H]3CC[N@H+](Cc4cscn4)C3)nc(C)n2)n1 ZINC000257209230 244142474 /nfs/dbraw/zinc/14/24/74/244142474.db2.gz BPMSHRCNXKTQNH-CYBMUJFWSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1c[nH]c(-c2cc([C@@H]3CC[N@@H+](Cc4cscn4)C3)nc(C)n2)n1 ZINC000257209230 244142485 /nfs/dbraw/zinc/14/24/85/244142485.db2.gz BPMSHRCNXKTQNH-CYBMUJFWSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257210238 244147748 /nfs/dbraw/zinc/14/77/48/244147748.db2.gz BTTFCHIWEWRXGG-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257210238 244147751 /nfs/dbraw/zinc/14/77/51/244147751.db2.gz BTTFCHIWEWRXGG-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO OCCOc1cccc(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)c1 ZINC000257210871 244149336 /nfs/dbraw/zinc/14/93/36/244149336.db2.gz BWMQKOICGGFOJX-GOSISDBHSA-N 1 1 326.440 2.907 40 0 EFABMO Cc1cc(-c2nccn2C)nc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257211196 244149582 /nfs/dbraw/zinc/14/95/82/244149582.db2.gz BXWAXMIICHGLME-MRXNPFEDSA-N 1 1 334.427 2.570 40 0 EFABMO Cn1ccnc1-c1cncc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257215215 244163881 /nfs/dbraw/zinc/16/38/81/244163881.db2.gz CPECFYWKCGWRTO-CYBMUJFWSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1ccnc1-c1cncc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257215215 244163889 /nfs/dbraw/zinc/16/38/89/244163889.db2.gz CPECFYWKCGWRTO-CYBMUJFWSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1cncc1CN1CC[N@@H+](C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257222647 244187301 /nfs/dbraw/zinc/18/73/01/244187301.db2.gz DUEHPGXCKLVJED-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO CCc1cc(C[C@@H]2CCC[N@@H+](CC(=O)NC)CC2)c2cnccc2n1 ZINC000257222448 244189512 /nfs/dbraw/zinc/18/95/12/244189512.db2.gz DTIYCXLKCNYNLT-OAHLLOKOSA-N 1 1 340.471 2.583 40 0 EFABMO CC(C)Oc1ccc([C@@H]2CN(Cc3cncn3C)CC[N@@H+]2C)cc1 ZINC000257229429 244206709 /nfs/dbraw/zinc/20/67/09/244206709.db2.gz FYCNVFBYXZQSRO-IBGZPJMESA-N 1 1 328.460 2.696 40 0 EFABMO CC(C)Oc1ccc([C@@H]2CN(Cc3cncn3C)CC[N@H+]2C)cc1 ZINC000257229429 244206716 /nfs/dbraw/zinc/20/67/16/244206716.db2.gz FYCNVFBYXZQSRO-IBGZPJMESA-N 1 1 328.460 2.696 40 0 EFABMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000093360814 203185087 /nfs/dbraw/zinc/18/50/87/203185087.db2.gz FSVIGSSOAACHJS-QGZVFWFLSA-N 1 1 339.439 2.619 40 0 EFABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072378870 203210560 /nfs/dbraw/zinc/21/05/60/203210560.db2.gz MITOHCQLFDHKQV-KRWDZBQOSA-N 1 1 347.422 2.991 40 0 EFABMO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072383951 203210578 /nfs/dbraw/zinc/21/05/78/203210578.db2.gz ZREGKQFXUSXESI-HNNXBMFYSA-N 1 1 340.427 2.537 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000072383951 203210581 /nfs/dbraw/zinc/21/05/81/203210581.db2.gz ZREGKQFXUSXESI-HNNXBMFYSA-N 1 1 340.427 2.537 40 0 EFABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072378869 203211339 /nfs/dbraw/zinc/21/13/39/203211339.db2.gz MITOHCQLFDHKQV-QGZVFWFLSA-N 1 1 347.422 2.991 40 0 EFABMO c1c[nH]c(-c2nccnc2C[C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257245228 244256673 /nfs/dbraw/zinc/25/66/73/244256673.db2.gz IOOQOMHVRLKOAB-ZDUSSCGKSA-N 1 1 340.456 2.778 40 0 EFABMO c1c[nH]c(-c2nccnc2C[C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257245228 244256676 /nfs/dbraw/zinc/25/66/76/244256676.db2.gz IOOQOMHVRLKOAB-ZDUSSCGKSA-N 1 1 340.456 2.778 40 0 EFABMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)c1C ZINC000257237283 244233304 /nfs/dbraw/zinc/23/33/04/244233304.db2.gz HFVWHIUKWOQLFJ-AMVTXUCVSA-N 1 1 330.476 2.758 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349516 203203769 /nfs/dbraw/zinc/20/37/69/203203769.db2.gz GHSPZYDRMAANJQ-SFHVURJKSA-N 1 1 337.467 2.940 40 0 EFABMO Cc1nc([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)cc(=O)[nH]1 ZINC000257239471 244238415 /nfs/dbraw/zinc/23/84/15/244238415.db2.gz HPJXEPCFODHTFW-SFHVURJKSA-N 1 1 336.395 2.612 40 0 EFABMO Cc1nc([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)cc(=O)[nH]1 ZINC000257239471 244238422 /nfs/dbraw/zinc/23/84/22/244238422.db2.gz HPJXEPCFODHTFW-SFHVURJKSA-N 1 1 336.395 2.612 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072355329 203204203 /nfs/dbraw/zinc/20/42/03/203204203.db2.gz QSGFXNGFKVKJAZ-KRWDZBQOSA-N 1 1 347.422 2.991 40 0 EFABMO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350567 203204238 /nfs/dbraw/zinc/20/42/38/203204238.db2.gz VUAQAYPUXALVGN-MRXNPFEDSA-N 1 1 348.454 2.999 40 0 EFABMO Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360361 203204922 /nfs/dbraw/zinc/20/49/22/203204922.db2.gz PXVQTDXPOATXCT-INIZCTEOSA-N 1 1 340.431 2.635 40 0 EFABMO CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ccccc3)CCO2)cc[nH+]1 ZINC000257240786 244240784 /nfs/dbraw/zinc/24/07/84/244240784.db2.gz HVFKRGYKKGFVAP-GOSISDBHSA-N 1 1 339.439 2.621 40 0 EFABMO Clc1ccccc1C[NH+]1CC2(C1)CO[C@@H](Cc1cncnc1)C2 ZINC000257240594 244241173 /nfs/dbraw/zinc/24/11/73/244241173.db2.gz HUGGVNUOEAXHMB-INIZCTEOSA-N 1 1 329.831 2.964 40 0 EFABMO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@H+]2Cc2cccnc2)c1 ZINC000072360467 203205892 /nfs/dbraw/zinc/20/58/92/203205892.db2.gz UDUIGRLPBMEDAO-IBGZPJMESA-N 1 1 338.455 2.801 40 0 EFABMO CO[C@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@]12CCCO2 ZINC000257242004 244243935 /nfs/dbraw/zinc/24/39/35/244243935.db2.gz IAPJBPLBAPGYLM-PKOBYXMFSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@]12CCCO2 ZINC000257242004 244243939 /nfs/dbraw/zinc/24/39/39/244243939.db2.gz IAPJBPLBAPGYLM-PKOBYXMFSA-N 1 1 332.444 2.512 40 0 EFABMO c1c[nH]c(C[N@H+]2CCN(c3ccccc3)C[C@@H](Cc3ccccn3)C2)n1 ZINC000072374457 203208785 /nfs/dbraw/zinc/20/87/85/203208785.db2.gz PKSVTFBFMUZNPB-SFHVURJKSA-N 1 1 347.466 2.986 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCN(c3ccccc3)C[C@@H](Cc3ccccn3)C2)n1 ZINC000072374457 203208788 /nfs/dbraw/zinc/20/87/88/203208788.db2.gz PKSVTFBFMUZNPB-SFHVURJKSA-N 1 1 347.466 2.986 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)ncn1 ZINC000257247029 244260575 /nfs/dbraw/zinc/26/05/75/244260575.db2.gz IXBVPMYUJVTCEN-AWEZNQCLSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257247029 244260582 /nfs/dbraw/zinc/26/05/82/244260582.db2.gz IXBVPMYUJVTCEN-AWEZNQCLSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)ncn1 ZINC000257247029 244260585 /nfs/dbraw/zinc/26/05/85/244260585.db2.gz IXBVPMYUJVTCEN-AWEZNQCLSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@@H+](Cc4cnccn4)C3)ccc12 ZINC000257248143 244264081 /nfs/dbraw/zinc/26/40/81/244264081.db2.gz JCHOBYYAXISMRH-IBGZPJMESA-N 1 1 336.443 2.620 40 0 EFABMO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc3ccccc32)C[C@]12CCCO2 ZINC000257249531 244266137 /nfs/dbraw/zinc/26/61/37/244266137.db2.gz JIUKQOPAMMDSNX-UYAOXDASSA-N 1 1 340.423 2.658 40 0 EFABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc3ccccc32)C[C@]12CCCO2 ZINC000257249531 244266143 /nfs/dbraw/zinc/26/61/43/244266143.db2.gz JIUKQOPAMMDSNX-UYAOXDASSA-N 1 1 340.423 2.658 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392916 203213529 /nfs/dbraw/zinc/21/35/29/203213529.db2.gz VTEXRHLRWGMJFA-KRWDZBQOSA-N 1 1 347.422 2.607 40 0 EFABMO Cc1ncc(CNC(=O)Cc2ccccc2F)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257253448 244275183 /nfs/dbraw/zinc/27/51/83/244275183.db2.gz JYYXAQRPDBCQCW-KRWDZBQOSA-N 1 1 342.418 2.550 40 0 EFABMO c1csc([C@@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257253664 244276986 /nfs/dbraw/zinc/27/69/86/244276986.db2.gz JZUDZCIHKSLECP-CQSZACIVSA-N 1 1 329.473 2.913 40 0 EFABMO CCCn1ccnc1CN1CC[N@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000257259645 244293373 /nfs/dbraw/zinc/29/33/73/244293373.db2.gz KZHXARNWQWJJFJ-QGZVFWFLSA-N 1 1 328.460 2.790 40 0 EFABMO CCCn1ccnc1CN1CC[N@@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000257259645 244293377 /nfs/dbraw/zinc/29/33/77/244293377.db2.gz KZHXARNWQWJJFJ-QGZVFWFLSA-N 1 1 328.460 2.790 40 0 EFABMO C[C@]1(COc2ccccc2)C[C@@H]2C[N@@H+](Cc3cnccn3)CC[C@@H]2O1 ZINC000257266815 244364530 /nfs/dbraw/zinc/36/45/30/244364530.db2.gz MEQJFUQNJSSGIG-LSTHTHJFSA-N 1 1 339.439 2.925 40 0 EFABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257271036 244375881 /nfs/dbraw/zinc/37/58/81/244375881.db2.gz MWOCZAZITIRQHF-INIZCTEOSA-N 1 1 338.459 2.555 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000257265336 244358678 /nfs/dbraw/zinc/35/86/78/244358678.db2.gz LYGXNVGGHHZBCC-OAHLLOKOSA-N 1 1 334.427 2.950 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000257272298 244381942 /nfs/dbraw/zinc/38/19/42/244381942.db2.gz NBWHRNNFKKMVCB-QGZVFWFLSA-N 1 1 334.427 2.745 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1CCC(C)(c2ncc(C)s2)CC1 ZINC000257273422 244386612 /nfs/dbraw/zinc/38/66/12/244386612.db2.gz NGMNMEZPSAMGLF-UHFFFAOYSA-N 1 1 332.473 2.791 40 0 EFABMO Fc1ccc(C[N@@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)nc1 ZINC000257275432 244391306 /nfs/dbraw/zinc/39/13/06/244391306.db2.gz NPJYGSVAZKHCHO-HNNXBMFYSA-N 1 1 340.402 2.560 40 0 EFABMO Fc1ccc(C[N@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)nc1 ZINC000257275432 244391313 /nfs/dbraw/zinc/39/13/13/244391313.db2.gz NPJYGSVAZKHCHO-HNNXBMFYSA-N 1 1 340.402 2.560 40 0 EFABMO CCc1nnsc1C(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257275348 244391824 /nfs/dbraw/zinc/39/18/24/244391824.db2.gz NOYVGTDBAHRZOL-ZDUSSCGKSA-N 1 1 345.472 2.545 40 0 EFABMO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)n1 ZINC000257278223 244399150 /nfs/dbraw/zinc/39/91/50/244399150.db2.gz OBITZBOBDOSXTH-OAHLLOKOSA-N 1 1 329.448 2.834 40 0 EFABMO O=C([C@@H]1C[N@@H+](Cc2ccsc2)CC12CCOCC2)N1CCCC1 ZINC000096052176 203810052 /nfs/dbraw/zinc/81/00/52/203810052.db2.gz RBCDPEFFEJKYEF-INIZCTEOSA-N 1 1 334.485 2.599 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096224524 203875676 /nfs/dbraw/zinc/87/56/76/203875676.db2.gz FUSXUWQQOPAMDV-FQEVSTJZSA-N 1 1 336.439 2.804 40 0 EFABMO Cc1nnc(N2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)s1 ZINC000097953500 203974961 /nfs/dbraw/zinc/97/49/61/203974961.db2.gz XPBVHPVHNIWTPL-IMJJTQAJSA-N 1 1 348.472 2.555 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107730800 204245348 /nfs/dbraw/zinc/24/53/48/204245348.db2.gz GYXAQIDRUQQLRO-RHSMWYFYSA-N 1 1 330.457 2.774 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000107712182 204245752 /nfs/dbraw/zinc/24/57/52/204245752.db2.gz TUKOXHNVZJMZNW-UXHICEINSA-N 1 1 339.439 2.927 40 0 EFABMO O=C(Cc1cccs1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000107709552 204246200 /nfs/dbraw/zinc/24/62/00/204246200.db2.gz RGBWDKHDGVTFEF-IAGOWNOFSA-N 1 1 327.453 2.561 40 0 EFABMO Cc1ncsc1C[N@H+]1CCC2(CC(NC(=O)c3cscn3)C2)C1 ZINC000108525041 204265129 /nfs/dbraw/zinc/26/51/29/204265129.db2.gz ZOHLQZWJORVQGB-UHFFFAOYSA-N 1 1 348.497 2.693 40 0 EFABMO O=C([C@H]1CCC[C@]12CC[N@H+](Cc1ccccc1F)C2)N1CCOCC1 ZINC000108527998 204265568 /nfs/dbraw/zinc/26/55/68/204265568.db2.gz MHQKNBGFFWMCAK-YLJYHZDGSA-N 1 1 346.446 2.677 40 0 EFABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3C)CC2)C1=O ZINC000108525171 204266495 /nfs/dbraw/zinc/26/64/95/204266495.db2.gz HRLGFJBIPWBGQQ-HXUWFJFHSA-N 1 1 348.462 2.985 40 0 EFABMO CC(C)[C@@H](CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)[NH+]1CCOCC1 ZINC000109008638 204274166 /nfs/dbraw/zinc/27/41/66/204274166.db2.gz FUPUAMLDLIVEPR-JCPCKNIKSA-N 1 1 346.471 2.889 40 0 EFABMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889918 204309502 /nfs/dbraw/zinc/30/95/02/204309502.db2.gz QRHFJKHGFIPJSN-SFHVURJKSA-N 1 1 349.434 2.576 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2)C1 ZINC000048303120 204346322 /nfs/dbraw/zinc/34/63/22/204346322.db2.gz SYBFTQSYUZTMNH-FCEWJHQRSA-N 1 1 330.472 2.960 40 0 EFABMO Cc1cc([C@H](C)NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)s1 ZINC000245860042 205161888 /nfs/dbraw/zinc/16/18/88/205161888.db2.gz IFHOXYBHQNZMTC-SCRDCRAPSA-N 1 1 339.505 2.522 40 0 EFABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000091856122 218076765 /nfs/dbraw/zinc/07/67/65/218076765.db2.gz WOEMIQJUIFOVNN-CYBMUJFWSA-N 1 1 347.850 2.628 40 0 EFABMO C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000010051220 211144243 /nfs/dbraw/zinc/14/42/43/211144243.db2.gz YDPIQYTZCXDZFZ-UHFFFAOYSA-N 1 1 325.412 2.535 40 0 EFABMO CNC(=O)Cc1ccccc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000095407872 218343927 /nfs/dbraw/zinc/34/39/27/218343927.db2.gz BLLBVYLAHBQMHP-MRXNPFEDSA-N 1 1 343.471 2.568 40 0 EFABMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(-n3cncn3)cc2)o1 ZINC000095421546 218363613 /nfs/dbraw/zinc/36/36/13/218363613.db2.gz WKSNAVLYNITDQI-UONOGXRCSA-N 1 1 339.399 2.847 40 0 EFABMO COC[C@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccco1 ZINC000095423549 218365739 /nfs/dbraw/zinc/36/57/39/218365739.db2.gz SRKCGJMDJFGFCG-DOMZBBRYSA-N 1 1 338.429 2.689 40 0 EFABMO O=C([C@H]1CC1(Cl)Cl)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437768 218380947 /nfs/dbraw/zinc/38/09/47/218380947.db2.gz ZHDZHVBYVPXKCK-SECBINFHSA-N 1 1 334.634 2.577 40 0 EFABMO C[N@@H+]1CC[C@H](CNC(=O)c2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447597 218392228 /nfs/dbraw/zinc/39/22/28/218392228.db2.gz WLAKFWOHVRZTBK-ABAIWWIYSA-N 1 1 337.782 2.890 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)c2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447597 218392231 /nfs/dbraw/zinc/39/22/31/218392231.db2.gz WLAKFWOHVRZTBK-ABAIWWIYSA-N 1 1 337.782 2.890 40 0 EFABMO Cc1[nH+]ccn1CCCN1c2cccc3cccc(c23)S1(=O)=O ZINC000095449571 218394148 /nfs/dbraw/zinc/39/41/48/218394148.db2.gz NDNLPGKPBJBRDR-UHFFFAOYSA-N 1 1 327.409 2.944 40 0 EFABMO Cc1[nH+]ccn1CCCn1c(=O)oc2cc(Br)ccc21 ZINC000095455426 218398427 /nfs/dbraw/zinc/39/84/27/218398427.db2.gz MSVUVUWYGYRWIO-UHFFFAOYSA-N 1 1 336.189 2.952 40 0 EFABMO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)[N@H+]2Cc2ncc[nH]2)N1 ZINC000257249193 296318150 /nfs/dbraw/zinc/31/81/50/296318150.db2.gz JHFQGWZHQDKINV-FGTMMUONSA-N 1 1 338.455 2.654 40 0 EFABMO CCn1cc[nH+]c1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000012444567 207146884 /nfs/dbraw/zinc/14/68/84/207146884.db2.gz UKNFRAJSYWQUSK-UHFFFAOYSA-N 1 1 336.798 2.658 40 0 EFABMO Clc1c[nH+]ccc1N1CCN(Cc2noc(-c3ccoc3)n2)CC1 ZINC000096487492 218864286 /nfs/dbraw/zinc/86/42/86/218864286.db2.gz KMOLWAOAKKIIDL-UHFFFAOYSA-N 1 1 345.790 2.700 40 0 EFABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227891 257685865 /nfs/dbraw/zinc/68/58/65/257685865.db2.gz RBBYGEUSYVMVKH-HOTGVXAUSA-N 1 1 332.787 2.772 40 0 EFABMO C[C@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000035093015 132389395 /nfs/dbraw/zinc/38/93/95/132389395.db2.gz MNBQTFCXJCVEKS-FCEWJHQRSA-N 1 1 336.451 2.514 40 0 EFABMO CO[C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@@H+]2C)C1 ZINC000072325653 286044218 /nfs/dbraw/zinc/04/42/18/286044218.db2.gz HVSGHHYDGVBSCP-OWTLIXCDSA-N 1 1 335.473 2.978 40 0 EFABMO CO[C@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@H+]2C)C1 ZINC000072325653 286044219 /nfs/dbraw/zinc/04/42/19/286044219.db2.gz HVSGHHYDGVBSCP-OWTLIXCDSA-N 1 1 335.473 2.978 40 0 EFABMO COc1ncccc1C[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159540 274170373 /nfs/dbraw/zinc/17/03/73/274170373.db2.gz NKRCUQZKMWFTOO-SFHVURJKSA-N 1 1 343.452 2.781 40 0 EFABMO C[C@@H](CCNC(=O)N1CCOCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000096490531 274209945 /nfs/dbraw/zinc/20/99/45/274209945.db2.gz KTNMVUBAXXZAAG-DLBZAZTESA-N 1 1 333.476 2.717 40 0 EFABMO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](CC1CCCCC1)CC2 ZINC000019403137 275042304 /nfs/dbraw/zinc/04/23/04/275042304.db2.gz IGGQTFRZEYYZOW-UHFFFAOYSA-N 1 1 338.455 2.813 40 0 EFABMO O[C@@H](Cn1cccn1)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407687 275052706 /nfs/dbraw/zinc/05/27/06/275052706.db2.gz CNCVKLULJJGXTR-HZPDHXFCSA-N 1 1 337.876 2.688 40 0 EFABMO O[C@@H](Cn1cccn1)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407687 275052707 /nfs/dbraw/zinc/05/27/07/275052707.db2.gz CNCVKLULJJGXTR-HZPDHXFCSA-N 1 1 337.876 2.688 40 0 EFABMO O[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000096495464 275053370 /nfs/dbraw/zinc/05/33/70/275053370.db2.gz KWWOLGAVLRECMF-GFCCVEGCSA-N 1 1 342.233 2.567 40 0 EFABMO O[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000096495464 275053371 /nfs/dbraw/zinc/05/33/71/275053371.db2.gz KWWOLGAVLRECMF-GFCCVEGCSA-N 1 1 342.233 2.567 40 0 EFABMO c1coc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229314 275074538 /nfs/dbraw/zinc/07/45/38/275074538.db2.gz BIHSHVPOSCPDEF-FQEVSTJZSA-N 1 1 341.455 2.789 40 0 EFABMO CCN1CC[C@]2(C[N@@H+](Cc3nccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201871 276236302 /nfs/dbraw/zinc/23/63/02/276236302.db2.gz MIMSUVCWRWOXRU-QFBILLFUSA-N 1 1 341.480 2.981 40 0 EFABMO CN1C[C@@H](COCC2CC2)[C@H]2CC[N@@H+](Cc3ccoc3)CC[C@H]2C1=O ZINC000096043537 277192393 /nfs/dbraw/zinc/19/23/93/277192393.db2.gz LFLFPUZIGYORTH-IPMKNSEASA-N 1 1 346.471 2.623 40 0 EFABMO CNC(=O)[C@@]1(CCCc2ccncc2)CCC[N@H+]1Cc1ccccn1 ZINC000072367252 277247609 /nfs/dbraw/zinc/24/76/09/277247609.db2.gz ZNLBHXIBBRQIAV-HXUWFJFHSA-N 1 1 338.455 2.580 40 0 EFABMO CO[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489977 277278449 /nfs/dbraw/zinc/27/84/49/277278449.db2.gz KGPAQTQHSRUBCN-KSSFIOAISA-N 1 1 348.468 2.715 40 0 EFABMO COc1cccc(C[N@H+]2CC[C@@H](CO)N(C)c3nc(C)ccc3C2)c1 ZINC000225494354 278011007 /nfs/dbraw/zinc/01/10/07/278011007.db2.gz UMWRALQJKVFGCL-SFHVURJKSA-N 1 1 341.455 2.602 40 0 biogenic,in-vitro EFABMO CC(=O)N[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000075640002 278145368 /nfs/dbraw/zinc/14/53/68/278145368.db2.gz QZKUYGNCPTZHDT-CJNGLKHVSA-N 1 1 344.377 2.513 40 0 EFABMO CC(=O)N[C@@H]1CCC[N@@H+](C[C@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000075640002 278145370 /nfs/dbraw/zinc/14/53/70/278145370.db2.gz QZKUYGNCPTZHDT-CJNGLKHVSA-N 1 1 344.377 2.513 40 0 EFABMO CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC000007460061 279085158 /nfs/dbraw/zinc/08/51/58/279085158.db2.gz HNNAWIBHSXCGMY-UHFFFAOYSA-N 1 1 331.460 2.839 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CCCCC[C@@H]2c2ccncc2)CC1 ZINC000096427143 279354622 /nfs/dbraw/zinc/35/46/22/279354622.db2.gz IQMQUXRRXOBYKJ-LJQANCHMSA-N 1 1 344.503 2.553 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@H+]3C3CCN(C)CC3)n2)n1 ZINC000257282644 280278745 /nfs/dbraw/zinc/27/87/45/280278745.db2.gz OUPZMXZHERBBSX-KRWDZBQOSA-N 1 1 340.475 2.715 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCC[N@@H+]3C3CCN(C)CC3)n2)n1 ZINC000257282644 280278747 /nfs/dbraw/zinc/27/87/47/280278747.db2.gz OUPZMXZHERBBSX-KRWDZBQOSA-N 1 1 340.475 2.715 40 0 EFABMO Cc1ccccc1C[N@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108529299 281342957 /nfs/dbraw/zinc/34/29/57/281342957.db2.gz GNEWESFWWBBJDI-SFTDATJTSA-N 1 1 337.467 2.865 40 0 EFABMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000295247904 295287628 /nfs/dbraw/zinc/28/76/28/295287628.db2.gz FQVDCQSVUJSTSJ-UHFFFAOYSA-N 1 1 327.384 2.939 40 0 EFABMO Cc1nnc([C@@H](C)[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)o1 ZINC000329115890 311266140 /nfs/dbraw/zinc/26/61/40/311266140.db2.gz NAUBHFWNKLOUOF-UKRRQHHQSA-N 1 1 332.448 2.554 40 0 EFABMO Cc1nnc([C@@H](C)[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)o1 ZINC000329115889 311266167 /nfs/dbraw/zinc/26/61/67/311266167.db2.gz NAUBHFWNKLOUOF-HIFRSBDPSA-N 1 1 332.448 2.554 40 0 EFABMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000329876451 311296046 /nfs/dbraw/zinc/29/60/46/311296046.db2.gz IALZZPHNXWBICJ-MRXNPFEDSA-N 1 1 332.492 2.845 40 0 EFABMO NC(=O)C[C@@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000181940362 323256545 /nfs/dbraw/zinc/25/65/45/323256545.db2.gz QQLFAIOHXZNEPT-ZDUSSCGKSA-N 1 1 339.277 2.969 40 0 EFABMO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@H](C)c3ccccn3)C2=O)c1 ZINC000090180091 472607592 /nfs/dbraw/zinc/60/75/92/472607592.db2.gz FXZJCDMGOJCMOL-ACJLOTCBSA-N 1 1 341.411 2.555 40 0 EFABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3OC)n[nH]2)cc1OC ZINC000095533856 473222259 /nfs/dbraw/zinc/22/22/59/473222259.db2.gz VWBDCZDWFIWACR-MRXNPFEDSA-N 1 1 340.383 2.546 40 0 EFABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccoc3C)n[nH]2)cc1OC ZINC000095534246 473223365 /nfs/dbraw/zinc/22/33/65/473223365.db2.gz VZASEPNWHNJMJD-HNNXBMFYSA-N 1 1 328.372 2.829 40 0 EFABMO CCOc1cc([C@H]([NH3+])c2nc(-c3ccccc3O)n[nH]2)ccc1OC ZINC000095534366 473223490 /nfs/dbraw/zinc/22/34/90/473223490.db2.gz MHADHZVXMFYYHY-INIZCTEOSA-N 1 1 340.383 2.633 40 0 EFABMO Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)cc1F ZINC000096038560 473258482 /nfs/dbraw/zinc/25/84/82/473258482.db2.gz ZFNPKJYWXDCWQL-RBUKOAKNSA-N 1 1 346.446 2.850 40 0 EFABMO O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccco1)C2 ZINC000096038796 473258524 /nfs/dbraw/zinc/25/85/24/473258524.db2.gz GLQPAMCXSVUHBA-SJLPKXTDSA-N 1 1 346.452 2.639 40 0 EFABMO COC[C@]12CCCO[C@H]1CC[N@@H+](CCc1ccc(OC)c(OC)c1)C2 ZINC000096039151 473259950 /nfs/dbraw/zinc/25/99/50/473259950.db2.gz LVPJSJSMPHZSRT-VQTJNVASSA-N 1 1 349.471 2.764 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC2)O1 ZINC000096040897 473261929 /nfs/dbraw/zinc/26/19/29/473261929.db2.gz BOILGZOGLUJDIU-ZACQAIPSSA-N 1 1 334.485 2.786 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040443 473262142 /nfs/dbraw/zinc/26/21/42/473262142.db2.gz CAKIHSVVOFRMSV-PKOBYXMFSA-N 1 1 332.444 2.511 40 0 EFABMO COC[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044557 473265547 /nfs/dbraw/zinc/26/55/47/473265547.db2.gz SMMYPLZCNKMNOR-CYBMUJFWSA-N 1 1 335.835 2.698 40 0 EFABMO COC[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044557 473265553 /nfs/dbraw/zinc/26/55/53/473265553.db2.gz SMMYPLZCNKMNOR-CYBMUJFWSA-N 1 1 335.835 2.698 40 0 EFABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cs1 ZINC000096041638 473262344 /nfs/dbraw/zinc/26/23/44/473262344.db2.gz SRKWHOJRGBHFIZ-RCCFBDPRSA-N 1 1 337.485 2.923 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cs1 ZINC000096041638 473262351 /nfs/dbraw/zinc/26/23/51/473262351.db2.gz SRKWHOJRGBHFIZ-RCCFBDPRSA-N 1 1 337.485 2.923 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042445 473263844 /nfs/dbraw/zinc/26/38/44/473263844.db2.gz OXOGDDNTBGRWRG-INMHGKMJSA-N 1 1 331.441 2.657 40 0 EFABMO c1cnn(CCCO[C@@H]2C[N@@H+](Cc3ccsc3)[C@@H]3CCCO[C@H]23)c1 ZINC000096042565 473264481 /nfs/dbraw/zinc/26/44/81/473264481.db2.gz HDXBUSZDJVJVPB-KURKYZTESA-N 1 1 347.484 2.783 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1CCO[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]21 ZINC000096043491 473265264 /nfs/dbraw/zinc/26/52/64/473265264.db2.gz CKNCKMYWNFJYAA-BRWVUGGUSA-N 1 1 334.485 2.501 40 0 EFABMO O=C(c1ccoc1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096046515 473266737 /nfs/dbraw/zinc/26/67/37/473266737.db2.gz OKFSCTRFLLTKFM-UHFFFAOYSA-N 1 1 325.412 2.803 40 0 EFABMO O=C(c1cccnc1)N1CCC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096046565 473267038 /nfs/dbraw/zinc/26/70/38/473267038.db2.gz FNLWUNMDWGGKEA-UHFFFAOYSA-N 1 1 342.468 2.666 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1CC[C@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096046286 473267867 /nfs/dbraw/zinc/26/78/67/473267867.db2.gz LNBKRIIUTIXOIQ-CWRNSKLLSA-N 1 1 344.415 2.904 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096046286 473267874 /nfs/dbraw/zinc/26/78/74/473267874.db2.gz LNBKRIIUTIXOIQ-CWRNSKLLSA-N 1 1 344.415 2.904 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cn1 ZINC000096046996 473268230 /nfs/dbraw/zinc/26/82/30/473268230.db2.gz FNLKNYKIXFRNRR-GOSISDBHSA-N 1 1 344.484 2.610 40 0 EFABMO CN(Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096047977 473268494 /nfs/dbraw/zinc/26/84/94/473268494.db2.gz CZBFXMSDEOILCT-IBGZPJMESA-N 1 1 341.455 2.930 40 0 EFABMO CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096047423 473268718 /nfs/dbraw/zinc/26/87/18/473268718.db2.gz PMQWFVXLGHYRPF-QGZVFWFLSA-N 1 1 340.464 2.606 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096047052 473268741 /nfs/dbraw/zinc/26/87/41/473268741.db2.gz SUZAUJYHXFGXDB-FQEVSTJZSA-N 1 1 336.439 2.605 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096047031 473269620 /nfs/dbraw/zinc/26/96/20/473269620.db2.gz UVRHSCORVZRIGU-LJQANCHMSA-N 1 1 325.412 2.803 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269642 /nfs/dbraw/zinc/26/96/42/473269642.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 1 1 328.460 2.810 40 0 EFABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269649 /nfs/dbraw/zinc/26/96/49/473269649.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 1 1 328.460 2.810 40 0 EFABMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046983 473269657 /nfs/dbraw/zinc/26/96/57/473269657.db2.gz IOVNZIVELFNJBW-IBGZPJMESA-N 1 1 328.460 2.810 40 0 EFABMO c1cncc(O[C@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096048284 473270723 /nfs/dbraw/zinc/27/07/23/473270723.db2.gz HQMFHDUGDMPZQL-MOPGFXCFSA-N 1 1 332.444 2.511 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 ZINC000096048179 473270937 /nfs/dbraw/zinc/27/09/37/473270937.db2.gz LJPPRQLPFMBQDS-PKOBYXMFSA-N 1 1 344.434 2.795 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@@]2(C[C@H](Nc3cccc(F)c3)CO2)C1 ZINC000096048179 473270945 /nfs/dbraw/zinc/27/09/45/473270945.db2.gz LJPPRQLPFMBQDS-PKOBYXMFSA-N 1 1 344.434 2.795 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000096048504 473271842 /nfs/dbraw/zinc/27/18/42/473271842.db2.gz QGHHWOWFABPJQQ-YJBOKZPZSA-N 1 1 346.406 2.753 40 0 EFABMO c1cc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048337 473272070 /nfs/dbraw/zinc/27/20/70/473272070.db2.gz YCWLQZVJFMNDNN-DOTOQJQBSA-N 1 1 330.457 2.774 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048351 473272266 /nfs/dbraw/zinc/27/22/66/473272266.db2.gz IYOXGKSTFBAMBO-PKOBYXMFSA-N 1 1 342.418 2.851 40 0 EFABMO c1cncc(O[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096048262 473272488 /nfs/dbraw/zinc/27/24/88/473272488.db2.gz FPHUCWOELQBEQG-RTBURBONSA-N 1 1 325.412 2.679 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048350 473272575 /nfs/dbraw/zinc/27/25/75/473272575.db2.gz IYOXGKSTFBAMBO-IEBWSBKVSA-N 1 1 342.418 2.851 40 0 EFABMO COc1cccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2=O)c1 ZINC000096050650 473273658 /nfs/dbraw/zinc/27/36/58/473273658.db2.gz YMMHPAJFEYUELG-HXUWFJFHSA-N 1 1 340.423 2.913 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)o1 ZINC000096051984 473275591 /nfs/dbraw/zinc/27/55/91/473275591.db2.gz YIMMSJKPSSVFQZ-IEBWSBKVSA-N 1 1 336.476 2.536 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000096051984 473275597 /nfs/dbraw/zinc/27/55/97/473275597.db2.gz YIMMSJKPSSVFQZ-IEBWSBKVSA-N 1 1 336.476 2.536 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000096051610 473276094 /nfs/dbraw/zinc/27/60/94/473276094.db2.gz BATKMDFKMSCNAP-GOSISDBHSA-N 1 1 346.471 2.909 40 0 EFABMO O=C(NCC1CC1)[C@@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052136 473276298 /nfs/dbraw/zinc/27/62/98/473276298.db2.gz LKXKMDISYSVDPV-SFHVURJKSA-N 1 1 346.446 2.581 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)o1 ZINC000096050947 473276377 /nfs/dbraw/zinc/27/63/77/473276377.db2.gz FSWFVKBKQBPBDO-LJQANCHMSA-N 1 1 343.427 2.817 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096051166 473276765 /nfs/dbraw/zinc/27/67/65/473276765.db2.gz IWZZAPXPOKORIP-MRXNPFEDSA-N 1 1 334.370 2.807 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4cccs4)CC[N@H+]3C2)n1 ZINC000096055067 473278257 /nfs/dbraw/zinc/27/82/57/473278257.db2.gz ALPOSNWRPHAPTP-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@@H]3C[N@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055067 473278265 /nfs/dbraw/zinc/27/82/65/473278265.db2.gz ALPOSNWRPHAPTP-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@@H]3C[N@@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055067 473278271 /nfs/dbraw/zinc/27/82/71/473278271.db2.gz ALPOSNWRPHAPTP-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055024 473279477 /nfs/dbraw/zinc/27/94/77/473279477.db2.gz QAOGTQNLVVYECZ-SJORKVTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055024 473279485 /nfs/dbraw/zinc/27/94/85/473279485.db2.gz QAOGTQNLVVYECZ-SJORKVTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055024 473279489 /nfs/dbraw/zinc/27/94/89/473279489.db2.gz QAOGTQNLVVYECZ-SJORKVTESA-N 1 1 329.469 2.618 40 0 EFABMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccsc2)c1 ZINC000096058032 473280791 /nfs/dbraw/zinc/28/07/91/473280791.db2.gz SZQSHXVAFQACIF-RCCFBDPRSA-N 1 1 347.484 2.783 40 0 EFABMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccsc2)c1 ZINC000096058032 473280797 /nfs/dbraw/zinc/28/07/97/473280797.db2.gz SZQSHXVAFQACIF-RCCFBDPRSA-N 1 1 347.484 2.783 40 0 EFABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000096059952 473283703 /nfs/dbraw/zinc/28/37/03/473283703.db2.gz IPTGXWSECPHGNP-SFHVURJKSA-N 1 1 333.476 2.655 40 0 EFABMO Fc1ccc(C[N@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)cc1 ZINC000096058646 473283961 /nfs/dbraw/zinc/28/39/61/473283961.db2.gz VVCAVEACOUPCTC-HNNXBMFYSA-N 1 1 327.403 2.720 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccco2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061274 473286097 /nfs/dbraw/zinc/28/60/97/473286097.db2.gz BPZPTDPECSBJIN-POZUXBRTSA-N 1 1 332.444 2.565 40 0 EFABMO O=C(NCc1cccs1)[C@H]1CO[C@H]2CC[N@H+](C3CCC3)C[C@H]2C1 ZINC000096066029 473287050 /nfs/dbraw/zinc/28/70/50/473287050.db2.gz TWBCBKXXMBIQAV-CPUCHLNUSA-N 1 1 334.485 2.644 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)n1 ZINC000096064041 473287179 /nfs/dbraw/zinc/28/71/79/473287179.db2.gz UUVQAWAWYZTDTD-ZWKOTPCHSA-N 1 1 328.460 2.691 40 0 EFABMO Cc1csc(C[N@H+]2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)n1 ZINC000096066416 473288018 /nfs/dbraw/zinc/28/80/18/473288018.db2.gz BJLHIICZJHYEOH-MGPQQGTHSA-N 1 1 334.445 2.538 40 0 EFABMO Cc1csc(C[N@@H+]2CC[C@H]3OCC[C@@H](c4nnc(C)o4)[C@H]3C2)n1 ZINC000096066416 473288026 /nfs/dbraw/zinc/28/80/26/473288026.db2.gz BJLHIICZJHYEOH-MGPQQGTHSA-N 1 1 334.445 2.538 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072578 473289074 /nfs/dbraw/zinc/28/90/74/473289074.db2.gz VMVOBMKRPPIXAG-IEBWSBKVSA-N 1 1 326.444 2.574 40 0 EFABMO Cc1cccc(COCc2cncc3c2CC[N@@H+]([C@H]2CCOC2)C3)n1 ZINC000096067388 473289121 /nfs/dbraw/zinc/28/91/21/473289121.db2.gz AMXKJGRWJXJDNL-IBGZPJMESA-N 1 1 339.439 2.649 40 0 EFABMO Cc1cccc(COCc2cncc3c2CC[N@H+]([C@H]2CCOC2)C3)n1 ZINC000096067388 473289130 /nfs/dbraw/zinc/28/91/30/473289130.db2.gz AMXKJGRWJXJDNL-IBGZPJMESA-N 1 1 339.439 2.649 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072581 473289533 /nfs/dbraw/zinc/28/95/33/473289533.db2.gz VMVOBMKRPPIXAG-HKUYNNGSSA-N 1 1 326.444 2.574 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1cncc(C)c1)CC2 ZINC000096078388 473290817 /nfs/dbraw/zinc/29/08/17/473290817.db2.gz OHQKYOAEMBPNQH-GOSISDBHSA-N 1 1 345.487 2.742 40 0 EFABMO O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3Cl)C[C@@H]2C1 ZINC000096081021 473292812 /nfs/dbraw/zinc/29/28/12/473292812.db2.gz LTSLDESIHMXOAN-CALCHBBNSA-N 1 1 341.842 2.939 40 0 EFABMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H](OCc4cccnc4)[C@@H]3C2)cn1 ZINC000096081862 473292852 /nfs/dbraw/zinc/29/28/52/473292852.db2.gz YVMMARZUXDINIP-IPMKNSEASA-N 1 1 326.444 2.632 40 0 EFABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1C ZINC000096087538 473293193 /nfs/dbraw/zinc/29/31/93/473293193.db2.gz VIUYWDLJPQKVSA-UWWQBHOKSA-N 1 1 331.847 2.811 40 0 EFABMO c1csc(C[N@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)n1 ZINC000096083132 473293535 /nfs/dbraw/zinc/29/35/35/473293535.db2.gz MPIFQXZRYWVJDO-BRWVUGGUSA-N 1 1 345.468 2.877 40 0 EFABMO c1csc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)n1 ZINC000096083132 473293545 /nfs/dbraw/zinc/29/35/45/473293545.db2.gz MPIFQXZRYWVJDO-BRWVUGGUSA-N 1 1 345.468 2.877 40 0 EFABMO CC(C)CN1c2ccccc2[C@]2(CC[N@@H+](Cc3cnn(C)c3)C2)C1=O ZINC000096100300 473296099 /nfs/dbraw/zinc/29/60/99/473296099.db2.gz UTASYXCXAYHDPO-HXUWFJFHSA-N 1 1 338.455 2.566 40 0 EFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccn3)C[C@@H]12 ZINC000096100392 473296560 /nfs/dbraw/zinc/29/65/60/473296560.db2.gz DPDSYFWIKNYOCV-RTWAWAEBSA-N 1 1 335.451 2.846 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3C(=O)N(c4ccsc4)CCO[C@H]3C2)o1 ZINC000096107140 473299609 /nfs/dbraw/zinc/29/96/09/473299609.db2.gz NJLMCNDQXYDFAQ-SJORKVTESA-N 1 1 346.452 2.903 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(C[C@@H](Oc3ccccn3)CO2)C1 ZINC000096107351 473300337 /nfs/dbraw/zinc/30/03/37/473300337.db2.gz BVHCOLONSPYTNS-APWZRJJASA-N 1 1 343.427 2.889 40 0 EFABMO COc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)c1 ZINC000096108845 473301324 /nfs/dbraw/zinc/30/13/24/473301324.db2.gz IDXZAQVTCRLXIL-XLIONFOSSA-N 1 1 340.423 2.618 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC000096108892 473301503 /nfs/dbraw/zinc/30/15/03/473301503.db2.gz RGPUGFSNRCZTMC-SJLPKXTDSA-N 1 1 345.468 2.512 40 0 EFABMO CO[C@@H]1CCN(Cc2ccsc2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108588 473302138 /nfs/dbraw/zinc/30/21/38/473302138.db2.gz FCVPLHBAZSKJQU-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CC[N@H+](Cc2ccsc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108588 473302146 /nfs/dbraw/zinc/30/21/46/473302146.db2.gz FCVPLHBAZSKJQU-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2ccsc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108588 473302149 /nfs/dbraw/zinc/30/21/49/473302149.db2.gz FCVPLHBAZSKJQU-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC(=O)N(C)C)C2)s1 ZINC000096109163 473302526 /nfs/dbraw/zinc/30/25/26/473302526.db2.gz RRNZUGCVLVUPEW-QAPCUYQASA-N 1 1 336.501 2.763 40 0 EFABMO Cc1nc(COC[C@]23COC[C@H]2C[N@@H+](Cc2ccccn2)C3)cs1 ZINC000096108909 473302618 /nfs/dbraw/zinc/30/26/18/473302618.db2.gz GZHGWEHNLFXNMG-QAPCUYQASA-N 1 1 345.468 2.512 40 0 EFABMO c1ccc(CC[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cc1 ZINC000096108889 473302670 /nfs/dbraw/zinc/30/26/70/473302670.db2.gz HREMSENBMGGXQT-NHCUHLMSSA-N 1 1 338.451 2.789 40 0 EFABMO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(F)c1)C2 ZINC000096109171 473302704 /nfs/dbraw/zinc/30/27/04/473302704.db2.gz HOQGDMXLUHNUBQ-APWZRJJASA-N 1 1 334.435 2.533 40 0 EFABMO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2cccs2)cs1 ZINC000096110711 473303630 /nfs/dbraw/zinc/30/36/30/473303630.db2.gz UAHFSJQIXZPRBY-LSDHHAIUSA-N 1 1 333.482 2.888 40 0 EFABMO Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096111004 473303700 /nfs/dbraw/zinc/30/37/00/473303700.db2.gz ITPMINVWGQKTKE-NHCUHLMSSA-N 1 1 345.483 2.887 40 0 EFABMO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccncc1)C2 ZINC000096110440 473304193 /nfs/dbraw/zinc/30/41/93/473304193.db2.gz OMFAUVINGHCEKU-MJGOQNOKSA-N 1 1 343.402 2.676 40 0 EFABMO Cc1ccc2[nH]c(CO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3F)nc2c1 ZINC000096112313 473305418 /nfs/dbraw/zinc/30/54/18/473305418.db2.gz DIDYXFDRJGDCHH-PBHICJAKSA-N 1 1 333.407 2.589 40 0 biogenic,in-vitro EFABMO Cc1ccc2nc(CO[C@H]3C[N@@H+](C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112313 473305425 /nfs/dbraw/zinc/30/54/25/473305425.db2.gz DIDYXFDRJGDCHH-PBHICJAKSA-N 1 1 333.407 2.589 40 0 biogenic,in-vitro EFABMO Cc1ccc2nc(CO[C@H]3C[N@H+](C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112313 473305438 /nfs/dbraw/zinc/30/54/38/473305438.db2.gz DIDYXFDRJGDCHH-PBHICJAKSA-N 1 1 333.407 2.589 40 0 biogenic,in-vitro EFABMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2C1 ZINC000096161821 473320304 /nfs/dbraw/zinc/32/03/04/473320304.db2.gz GNXOOZFOZQFKHV-OKILXGFUSA-N 1 1 331.441 2.557 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](Cn4cccn4)O3)C2)s1 ZINC000096160334 473319967 /nfs/dbraw/zinc/31/99/67/473319967.db2.gz FXMNTOFPJLRWJJ-AEFFLSMTSA-N 1 1 347.484 2.703 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1 ZINC000096159511 473320077 /nfs/dbraw/zinc/32/00/77/473320077.db2.gz UHSKLEZLIZCBET-HXUWFJFHSA-N 1 1 337.423 2.719 40 0 EFABMO COc1cccc(C[N@H+]2CCC3(C2)CCN(c2ncccn2)CC3)c1 ZINC000096157460 473316256 /nfs/dbraw/zinc/31/62/56/473316256.db2.gz PCCFUHIEUTZRLD-UHFFFAOYSA-N 1 1 338.455 2.978 40 0 EFABMO Fc1cnc(N2CCC[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC000096158305 473318721 /nfs/dbraw/zinc/31/87/21/473318721.db2.gz XFCAVVSOSQIWBB-GOSISDBHSA-N 1 1 327.407 2.503 40 0 EFABMO Fc1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096158308 473318964 /nfs/dbraw/zinc/31/89/64/473318964.db2.gz WNKXQMLUKLXBNG-SFHVURJKSA-N 1 1 327.407 2.503 40 0 EFABMO C[NH+]1CCC(COC[C@@H]2CC[C@H]3[C@H](CCN3Cc3ccoc3)O2)CC1 ZINC000096186108 473325832 /nfs/dbraw/zinc/32/58/32/473325832.db2.gz GFTLWOCASNWEEC-UFYCRDLUSA-N 1 1 348.487 2.760 40 0 EFABMO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]21)c1ccsc1 ZINC000096185477 473325870 /nfs/dbraw/zinc/32/58/70/473325870.db2.gz KSJDXKJSYIMQTE-BHYGNILZSA-N 1 1 346.452 2.608 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@H]3O[C@H](COc4cccnc4)CC[C@@H]32)n1 ZINC000096186117 473326175 /nfs/dbraw/zinc/32/61/75/473326175.db2.gz HCHNYUHCVNVWSH-UFYCRDLUSA-N 1 1 339.439 2.986 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096185973 473326317 /nfs/dbraw/zinc/32/63/17/473326317.db2.gz IHDMLTWLRORATC-QRVBRYPASA-N 1 1 327.428 2.538 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096185973 473326320 /nfs/dbraw/zinc/32/63/20/473326320.db2.gz IHDMLTWLRORATC-QRVBRYPASA-N 1 1 327.428 2.538 40 0 EFABMO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096185971 473326376 /nfs/dbraw/zinc/32/63/76/473326376.db2.gz WCYQEMQNYXTBOU-INMHGKMJSA-N 1 1 333.457 2.600 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096185971 473326380 /nfs/dbraw/zinc/32/63/80/473326380.db2.gz WCYQEMQNYXTBOU-INMHGKMJSA-N 1 1 333.457 2.600 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)c1 ZINC000096184641 473326770 /nfs/dbraw/zinc/32/67/70/473326770.db2.gz HYAGSNJINORQGN-MSOLQXFVSA-N 1 1 337.423 2.659 40 0 EFABMO c1cncc(CN2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccc3c(c2)OCO3)c1 ZINC000096184641 473326777 /nfs/dbraw/zinc/32/67/77/473326777.db2.gz HYAGSNJINORQGN-MSOLQXFVSA-N 1 1 337.423 2.659 40 0 EFABMO c1cncc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc3c(c2)OCO3)c1 ZINC000096184641 473326783 /nfs/dbraw/zinc/32/67/83/473326783.db2.gz HYAGSNJINORQGN-MSOLQXFVSA-N 1 1 337.423 2.659 40 0 EFABMO C[N@H+](Cc1ccco1)C[C@@H]1OC[C@H]2CN(C(=O)C3CC=CC3)CC[C@@H]12 ZINC000096185359 473327293 /nfs/dbraw/zinc/32/72/93/473327293.db2.gz JGYKULYOIBMBIA-QRQLOZEOSA-N 1 1 344.455 2.541 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CNc3ncccn3)C2)o1 ZINC000096187337 473328432 /nfs/dbraw/zinc/32/84/32/473328432.db2.gz AEAJXQBTAKTXSR-ZTFGCOKTSA-N 1 1 342.443 2.581 40 0 EFABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccoc2)n1 ZINC000096186525 473328764 /nfs/dbraw/zinc/32/87/64/473328764.db2.gz CCVZKBHYDLKFOF-QZTJIDSGSA-N 1 1 325.412 2.749 40 0 EFABMO COc1cccc(C[N@H+]2Cc3cnn(C)c3[C@H](COCC3CC3)C2)c1 ZINC000096198316 473334263 /nfs/dbraw/zinc/33/42/63/473334263.db2.gz PAKBMSJARPOSIO-SFHVURJKSA-N 1 1 341.455 2.955 40 0 EFABMO COc1cccc(C[N@@H+]2Cc3cnn(C)c3[C@H](COCC3CC3)C2)c1 ZINC000096198316 473334268 /nfs/dbraw/zinc/33/42/68/473334268.db2.gz PAKBMSJARPOSIO-SFHVURJKSA-N 1 1 341.455 2.955 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200137 473335170 /nfs/dbraw/zinc/33/51/70/473335170.db2.gz ZRXBVOQJQVRTPQ-DLBZAZTESA-N 1 1 326.396 2.642 40 0 EFABMO O=C1C[C@H](c2ccccc2)C2(CC[NH+](Cc3nccs3)CC2)N1 ZINC000096199586 473335522 /nfs/dbraw/zinc/33/55/22/473335522.db2.gz SXRXVYAYAGPROT-OAHLLOKOSA-N 1 1 327.453 2.781 40 0 EFABMO O=C1C[C@@H](c2ccccc2)C2(CC[NH+](Cc3nccs3)CC2)N1 ZINC000096199585 473335639 /nfs/dbraw/zinc/33/56/39/473335639.db2.gz SXRXVYAYAGPROT-HNNXBMFYSA-N 1 1 327.453 2.781 40 0 EFABMO COCCO[C@H]1CC[N@@H+](Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096200504 473336077 /nfs/dbraw/zinc/33/60/77/473336077.db2.gz GCAWPFMUUQEESH-ROUUACIJSA-N 1 1 332.469 2.992 40 0 EFABMO CCOc1cccc(C(=O)N2CCC3(CC[C@H](COC)[N@H+]3C)CC2)c1 ZINC000096208028 473343170 /nfs/dbraw/zinc/34/31/70/473343170.db2.gz XKHOEWMIQGTPAP-QGZVFWFLSA-N 1 1 346.471 2.801 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@H+](C3CCCC3)CC[C@H]21)Nc1cccnc1 ZINC000096207439 473343376 /nfs/dbraw/zinc/34/33/76/473343376.db2.gz OSIDPKIQNZHWCU-OLMNPRSZSA-N 1 1 329.444 2.690 40 0 EFABMO Cc1csc(C[N@@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)n1 ZINC000096208061 473343473 /nfs/dbraw/zinc/34/34/73/473343473.db2.gz DZZKVJBWNDTBIM-DYVFJYSZSA-N 1 1 349.431 2.513 40 0 EFABMO Cc1csc(C[N@H+]2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)n1 ZINC000096208061 473343477 /nfs/dbraw/zinc/34/34/77/473343477.db2.gz DZZKVJBWNDTBIM-DYVFJYSZSA-N 1 1 349.431 2.513 40 0 EFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)[C@H]2C ZINC000096201239 473339241 /nfs/dbraw/zinc/33/92/41/473339241.db2.gz SUAZVMIMXXKUCY-AWEZNQCLSA-N 1 1 333.480 2.752 40 0 EFABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)co1 ZINC000096206193 473341443 /nfs/dbraw/zinc/34/14/43/473341443.db2.gz PRAHDOLRSGTLJI-MOPGFXCFSA-N 1 1 335.444 2.846 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@H]21)NCc1cccs1 ZINC000096207615 473341845 /nfs/dbraw/zinc/34/18/45/473341845.db2.gz AMOHLNHKAWJMTQ-XYPHTWIQSA-N 1 1 334.485 2.644 40 0 EFABMO CO[C@@H]1CCN(Cc2nc(C)cs2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096207302 473342710 /nfs/dbraw/zinc/34/27/10/473342710.db2.gz BQZYEIBVBKTPNM-GVDBMIGSSA-N 1 1 347.484 2.766 40 0 EFABMO C[N@H+]1[C@H](COCC2CC2)CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096209334 473344024 /nfs/dbraw/zinc/34/40/24/473344024.db2.gz APVRFTWYTWMWDO-SFHVURJKSA-N 1 1 343.471 2.577 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1CC1CC1)CCN(C(=O)C1=CCCC1)CC2 ZINC000096208287 473345066 /nfs/dbraw/zinc/34/50/66/473345066.db2.gz FQSBTMJPKQLMRG-GOSISDBHSA-N 1 1 332.488 2.836 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1CC1CC1)CCN(C(=O)C1=CCCC1)CC2 ZINC000096208286 473345133 /nfs/dbraw/zinc/34/51/33/473345133.db2.gz FQSBTMJPKQLMRG-SFHVURJKSA-N 1 1 332.488 2.836 40 0 EFABMO O=C(c1ccc[nH]1)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215777 473346088 /nfs/dbraw/zinc/34/60/88/473346088.db2.gz APARZEMNPFVSRR-QGZVFWFLSA-N 1 1 330.457 2.600 40 0 EFABMO O=C(c1ccc[nH]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215777 473346091 /nfs/dbraw/zinc/34/60/91/473346091.db2.gz APARZEMNPFVSRR-QGZVFWFLSA-N 1 1 330.457 2.600 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(OC)cc1)C2 ZINC000096216480 473346623 /nfs/dbraw/zinc/34/66/23/473346623.db2.gz JRKPDSZNGWBQBG-CTNGQTDRSA-N 1 1 344.499 2.876 40 0 EFABMO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H]23)c1 ZINC000096216000 473346925 /nfs/dbraw/zinc/34/69/25/473346925.db2.gz LLPSCPMTGQXWJE-JCURWCKSSA-N 1 1 333.819 2.589 40 0 EFABMO c1ccc(NC[C@H]2CCC[C@]3(CC[N@H+](C4CCOCC4)C3)O2)nc1 ZINC000096215631 473347322 /nfs/dbraw/zinc/34/73/22/473347322.db2.gz GYNYOHMKJNBHJD-IEBWSBKVSA-N 1 1 331.460 2.686 40 0 EFABMO Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C(C)C)C2)n1 ZINC000096216105 473347472 /nfs/dbraw/zinc/34/74/72/473347472.db2.gz UDVKUOMWIMGUMZ-QUCCMNQESA-N 1 1 345.487 2.533 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCN(c3ncc(C)cn3)C2)C1 ZINC000096216002 473347953 /nfs/dbraw/zinc/34/79/53/473347953.db2.gz AVRAJBOBQKYZGR-IBGZPJMESA-N 1 1 341.459 2.882 40 0 EFABMO O=C1CCCN1C[C@@H]1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)O1 ZINC000096215735 473348286 /nfs/dbraw/zinc/34/82/86/473348286.db2.gz UHDAZJVKSFWWCW-FUHWJXTLSA-N 1 1 334.485 2.884 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2ccoc2)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096218152 473349060 /nfs/dbraw/zinc/34/90/60/473349060.db2.gz UWAZPSIDMZEQMT-RCCFBDPRSA-N 1 1 347.484 2.766 40 0 EFABMO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349287 /nfs/dbraw/zinc/34/92/87/473349287.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 1 1 339.487 2.612 40 0 EFABMO Cc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349294 /nfs/dbraw/zinc/34/92/94/473349294.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 1 1 339.487 2.612 40 0 EFABMO Cc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)n1 ZINC000096217250 473349301 /nfs/dbraw/zinc/34/93/01/473349301.db2.gz VQSPMTKQGOFQNW-FQEVSTJZSA-N 1 1 339.487 2.612 40 0 EFABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(CCOc1ccc(Cl)cc1)C2 ZINC000096216534 473350535 /nfs/dbraw/zinc/35/05/35/473350535.db2.gz YGNLGPRFFKTHPK-MAUKXSAKSA-N 1 1 338.879 2.619 40 0 EFABMO CCN1C[C@H](COCc2cccnc2)[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096219099 473351897 /nfs/dbraw/zinc/35/18/97/473351897.db2.gz BYYJFHCFBWKSNH-WOJBJXKFSA-N 1 1 329.488 2.652 40 0 EFABMO CCN1C[C@H](COCc2cccnc2)[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000096219099 473351904 /nfs/dbraw/zinc/35/19/04/473351904.db2.gz BYYJFHCFBWKSNH-WOJBJXKFSA-N 1 1 329.488 2.652 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cc(C)oc1C)C2 ZINC000096218849 473352242 /nfs/dbraw/zinc/35/22/42/473352242.db2.gz ZFVLSKHZVPXGIM-FXAWDEMLSA-N 1 1 346.471 2.717 40 0 EFABMO CC[N@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)/C=C/c3cccs3)C2)C1 ZINC000096219839 473353418 /nfs/dbraw/zinc/35/34/18/473353418.db2.gz WFOUFZBOGCHYEN-XDWWLABZSA-N 1 1 334.485 2.578 40 0 EFABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1oc3ccccc3c1C)C2 ZINC000096219842 473354148 /nfs/dbraw/zinc/35/41/48/473354148.db2.gz DNHASKUWUNPHDK-FOIQADDNSA-N 1 1 342.439 2.782 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cn1 ZINC000096224593 473355776 /nfs/dbraw/zinc/35/57/76/473355776.db2.gz HXARIHXWTGTVPS-QGZVFWFLSA-N 1 1 330.457 2.501 40 0 EFABMO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)s1 ZINC000096224634 473356011 /nfs/dbraw/zinc/35/60/11/473356011.db2.gz YLZPALMURUOYER-SFHVURJKSA-N 1 1 344.484 2.809 40 0 EFABMO c1coc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229021 473358550 /nfs/dbraw/zinc/35/85/50/473358550.db2.gz DENSVSAETHIMLW-LJQANCHMSA-N 1 1 327.428 2.794 40 0 EFABMO c1cncc(N2CCOC[C@]3(CCC[N@H+](Cc4ccncc4)C3)C2)c1 ZINC000096229022 473358572 /nfs/dbraw/zinc/35/85/72/473358572.db2.gz HZZUWOUHZWEJTO-FQEVSTJZSA-N 1 1 338.455 2.596 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC000096229118 473359371 /nfs/dbraw/zinc/35/93/71/473359371.db2.gz WZEDPDPAMYUNAJ-GOSISDBHSA-N 1 1 344.484 2.657 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3ccccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239047 473360426 /nfs/dbraw/zinc/36/04/26/473360426.db2.gz RSBVLUVIUNHMQM-IBGZPJMESA-N 1 1 343.377 2.989 40 0 EFABMO O=C(c1cccc(F)c1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259297 473367234 /nfs/dbraw/zinc/36/72/34/473367234.db2.gz NFMFSMIMMJENCS-UHFFFAOYSA-N 1 1 342.418 2.664 40 0 EFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)Cc1cccs1)CCC2 ZINC000096259231 473367448 /nfs/dbraw/zinc/36/74/48/473367448.db2.gz HAZBHTULCIYWPK-UHFFFAOYSA-N 1 1 346.500 2.760 40 0 EFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)Cc1cccs1)CCC2 ZINC000096259231 473367453 /nfs/dbraw/zinc/36/74/53/473367453.db2.gz HAZBHTULCIYWPK-UHFFFAOYSA-N 1 1 346.500 2.760 40 0 EFABMO c1csc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)n1 ZINC000096251706 473363911 /nfs/dbraw/zinc/36/39/11/473363911.db2.gz XBNOBTDNULGNAS-LNLFQRSKSA-N 1 1 341.480 2.746 40 0 EFABMO c1csc(CN2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)n1 ZINC000096251706 473363917 /nfs/dbraw/zinc/36/39/17/473363917.db2.gz XBNOBTDNULGNAS-LNLFQRSKSA-N 1 1 341.480 2.746 40 0 EFABMO O=C(c1ccco1)N1CCO[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]2C1 ZINC000096249874 473364397 /nfs/dbraw/zinc/36/43/97/473364397.db2.gz FLSWYMSELQXDDH-NVXWUHKLSA-N 1 1 346.452 2.704 40 0 EFABMO CCc1ccc(CN2CC[C@@H]3C[N@@H+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249665 473364909 /nfs/dbraw/zinc/36/49/09/473364909.db2.gz YWMZAZGTEGFLRL-OXQOHEQNSA-N 1 1 348.487 2.544 40 0 EFABMO CCc1ccc(CN2CC[C@@H]3C[N@H+](C4CCOCC4)CCO[C@@H]3C2)o1 ZINC000096249665 473364916 /nfs/dbraw/zinc/36/49/16/473364916.db2.gz YWMZAZGTEGFLRL-OXQOHEQNSA-N 1 1 348.487 2.544 40 0 EFABMO Cc1cccc(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)[nH+]1 ZINC000096250571 473365411 /nfs/dbraw/zinc/36/54/11/473365411.db2.gz QMELDSBRSKNXNZ-YESZJQIVSA-N 1 1 325.412 2.848 40 0 EFABMO Cc1ccccc1C(=O)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259294 473368380 /nfs/dbraw/zinc/36/83/80/473368380.db2.gz ZUOJHQYRFZTQKZ-UHFFFAOYSA-N 1 1 338.455 2.833 40 0 EFABMO O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000096261697 473368754 /nfs/dbraw/zinc/36/87/54/473368754.db2.gz WGOSWVRAJQLFKA-XQBPLPMBSA-N 1 1 345.446 2.844 40 0 EFABMO CC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261462 473369726 /nfs/dbraw/zinc/36/97/26/473369726.db2.gz IMVPFPJAICHXLA-SVFBPWRDSA-N 1 1 337.467 2.938 40 0 EFABMO O=C(c1n[nH]c2c1CCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000096402341 473379535 /nfs/dbraw/zinc/37/95/35/473379535.db2.gz FACIGLQBZWODNY-UHFFFAOYSA-N 1 1 330.476 2.627 40 0 EFABMO CN(CC(C)(C)C)C(=O)Nc1ccc(CCN2CC[NH+](C)CC2)cc1 ZINC000096403447 473380046 /nfs/dbraw/zinc/38/00/46/473380046.db2.gz WYWQNBTWXGQUAL-UHFFFAOYSA-N 1 1 346.519 2.986 40 0 EFABMO Cc1cccc([C@H](C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000096406856 473383906 /nfs/dbraw/zinc/38/39/06/473383906.db2.gz UDFMVZKKXAOYAG-BBWFWOEESA-N 1 1 331.460 2.527 40 0 EFABMO Cc1nc(C2CC[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)CC2)no1 ZINC000096406580 473383927 /nfs/dbraw/zinc/38/39/27/473383927.db2.gz BBWAXLSVBQFURJ-QGZVFWFLSA-N 1 1 340.427 2.753 40 0 EFABMO O=C(C[N@@H+](Cc1ccc(F)cc1)CC1CC1)NCc1ccccn1 ZINC000096406630 473384152 /nfs/dbraw/zinc/38/41/52/473384152.db2.gz CSSKZFBNSYBJBC-UHFFFAOYSA-N 1 1 327.403 2.749 40 0 EFABMO C[N@H+](Cc1ccccn1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000096407768 473385594 /nfs/dbraw/zinc/38/55/94/473385594.db2.gz BYIXRQLBLJJBJR-AWEZNQCLSA-N 1 1 340.345 2.972 40 0 EFABMO Cc1cccc(N2CCC(NC(=O)N[C@H](C)COCC(C)C)CC2)[nH+]1 ZINC000096408853 473386273 /nfs/dbraw/zinc/38/62/73/473386273.db2.gz LXLZRLFTBOVDFC-MRXNPFEDSA-N 1 1 348.491 2.719 40 0 EFABMO CSCc1cccc(NC(=O)NC[C@@H](c2cnn(C)c2)[NH+](C)C)c1 ZINC000096410654 473388871 /nfs/dbraw/zinc/38/88/71/473388871.db2.gz VXKKUGZECWLICB-INIZCTEOSA-N 1 1 347.488 2.708 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000900569 471377364 /nfs/dbraw/zinc/37/73/64/471377364.db2.gz LMXFPUVUUSHCMM-IBGZPJMESA-N 1 1 338.451 2.523 40 0 in-man EFABMO COc1ccccc1OCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000002752877 471418894 /nfs/dbraw/zinc/41/88/94/471418894.db2.gz GZAXLFQRBKTTIX-UHFFFAOYSA-N 1 1 340.423 2.662 40 0 EFABMO CC[N@H+]1CC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000003635100 471455975 /nfs/dbraw/zinc/45/59/75/471455975.db2.gz LINSZIYEKJQFMG-SFHVURJKSA-N 1 1 325.408 2.560 40 0 in-vitro EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004908051 471479133 /nfs/dbraw/zinc/47/91/33/471479133.db2.gz UITMDFSXBGPNRC-LBPRGKRZSA-N 1 1 348.834 2.787 40 0 EFABMO O=C(O[C@H]1CC[N@H+]2CCC[C@H]12)C(O)(c1ccccc1)c1ccccc1 ZINC000005063844 471485777 /nfs/dbraw/zinc/48/57/77/471485777.db2.gz ITNRFSFKGBWFIP-MOPGFXCFSA-N 1 1 337.419 2.702 40 0 EFABMO COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3[C@@H]2C)cc1OC ZINC000005758924 471520140 /nfs/dbraw/zinc/52/01/40/471520140.db2.gz GMTIVZXAIAADFX-DJIMGWMZSA-N 1 1 346.471 2.625 40 0 EFABMO COc1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3[C@H]2C)cc1OC ZINC000005758926 471520600 /nfs/dbraw/zinc/52/06/00/471520600.db2.gz GMTIVZXAIAADFX-USXIJHARSA-N 1 1 346.471 2.625 40 0 EFABMO OCC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1Cl ZINC000006495897 471546945 /nfs/dbraw/zinc/54/69/45/471546945.db2.gz CGMKQAKELINUJV-INIZCTEOSA-N 1 1 335.831 2.574 40 0 EFABMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000006787521 471569655 /nfs/dbraw/zinc/56/96/55/471569655.db2.gz OHWBBPDAIZLTBA-UHFFFAOYSA-N 1 1 342.395 2.885 40 0 EFABMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000006787521 471569660 /nfs/dbraw/zinc/56/96/60/471569660.db2.gz OHWBBPDAIZLTBA-UHFFFAOYSA-N 1 1 342.395 2.885 40 0 EFABMO Cc1ccccc1C[N@@H+](C)C[C@@H](O)COCc1ccc2c(c1)OCO2 ZINC000006939109 471579246 /nfs/dbraw/zinc/57/92/46/471579246.db2.gz JALBKWKSWPPHMG-GOSISDBHSA-N 1 1 343.423 2.733 40 0 EFABMO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007224760 471599419 /nfs/dbraw/zinc/59/94/19/471599419.db2.gz YRSCEPYBHFNSHI-BBWFWOEESA-N 1 1 345.487 2.828 40 0 EFABMO COc1ccc(-c2nnc([C@H](C)Sc3nc(N)cc(N)[nH+]3)o2)cc1 ZINC000007692827 471631405 /nfs/dbraw/zinc/63/14/05/471631405.db2.gz VXEAHDBQUCSAMT-QMMMGPOBSA-N 1 1 344.400 2.553 40 0 EFABMO COc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(F)cc2)cc1OC ZINC000008120545 471664470 /nfs/dbraw/zinc/66/44/70/471664470.db2.gz XFDCALKBGGHJMF-UHFFFAOYSA-N 1 1 346.402 2.591 40 0 EFABMO COc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(F)cc2)cc1OC ZINC000008120545 471664475 /nfs/dbraw/zinc/66/44/75/471664475.db2.gz XFDCALKBGGHJMF-UHFFFAOYSA-N 1 1 346.402 2.591 40 0 EFABMO COC(=O)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000008267651 471676078 /nfs/dbraw/zinc/67/60/78/471676078.db2.gz HRPBXLQVYZVWKH-FUHWJXTLSA-N 1 1 344.455 2.602 40 0 EFABMO O=C(CC[N@H+]1CCc2sccc2C1)NC(=O)NCc1ccccc1 ZINC000010093013 471728296 /nfs/dbraw/zinc/72/82/96/471728296.db2.gz MYTPSVNDWICJSS-UHFFFAOYSA-N 1 1 343.452 2.522 40 0 EFABMO COc1ccc(C2CC[NH+](CC(=O)NCc3ccco3)CC2)cc1 ZINC000012113918 471765136 /nfs/dbraw/zinc/76/51/36/471765136.db2.gz SFTDLLVHGMUQSO-UHFFFAOYSA-N 1 1 328.412 2.784 40 0 EFABMO CCc1ncc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012122177 471765559 /nfs/dbraw/zinc/76/55/59/471765559.db2.gz ICJLLXTZYLDVFV-UHFFFAOYSA-N 1 1 339.439 2.983 40 0 EFABMO CCc1ncc(C[N@H+]2Cc3ccccc3OC3(CCOCC3)C2)cn1 ZINC000012122177 471765564 /nfs/dbraw/zinc/76/55/64/471765564.db2.gz ICJLLXTZYLDVFV-UHFFFAOYSA-N 1 1 339.439 2.983 40 0 EFABMO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cccnc2)n1 ZINC000012147979 471765843 /nfs/dbraw/zinc/76/58/43/471765843.db2.gz WZBOMAHHQZOCMY-GOSISDBHSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cccnc2)n1 ZINC000012147979 471765849 /nfs/dbraw/zinc/76/58/49/471765849.db2.gz WZBOMAHHQZOCMY-GOSISDBHSA-N 1 1 340.427 2.551 40 0 EFABMO CCC[N@H+]1C[C@H](NC(=O)c2cc(C)no2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012241813 471769307 /nfs/dbraw/zinc/76/93/07/471769307.db2.gz DEEHMBVTJNFSLF-SJORKVTESA-N 1 1 343.427 2.599 40 0 EFABMO CCCO[C@@H]1CCC[N@@H+](Cc2c(C)n(CC(N)=O)c3ccccc32)C1 ZINC000012364449 471773364 /nfs/dbraw/zinc/77/33/64/471773364.db2.gz GZGHZXPHWFJBEX-MRXNPFEDSA-N 1 1 343.471 2.826 40 0 EFABMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2C1 ZINC000015880166 471921527 /nfs/dbraw/zinc/92/15/27/471921527.db2.gz OKSSYJRVCJITEZ-UHFFFAOYSA-N 1 1 347.440 2.791 40 0 EFABMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2C1 ZINC000015880166 471921531 /nfs/dbraw/zinc/92/15/31/471921531.db2.gz OKSSYJRVCJITEZ-UHFFFAOYSA-N 1 1 347.440 2.791 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000017296890 471960194 /nfs/dbraw/zinc/96/01/94/471960194.db2.gz RGKJDDDODPIFDE-QZTJIDSGSA-N 1 1 349.471 2.627 40 0 EFABMO CC(C)COC(=O)C[C@@H](c1ccccc1)[C@@H]([NH3+])C(=O)OCC(C)C ZINC000019203229 471978060 /nfs/dbraw/zinc/97/80/60/471978060.db2.gz MXXHKDCAFSLHRH-FUHWJXTLSA-N 1 1 335.444 2.886 40 0 EFABMO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cc1 ZINC000019210396 471978633 /nfs/dbraw/zinc/97/86/33/471978633.db2.gz XUKQBDGSRNKRIX-BHIFYINESA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1 ZINC000019210396 471978637 /nfs/dbraw/zinc/97/86/37/471978637.db2.gz XUKQBDGSRNKRIX-BHIFYINESA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1 ZINC000019210396 471978641 /nfs/dbraw/zinc/97/86/41/471978641.db2.gz XUKQBDGSRNKRIX-BHIFYINESA-N 1 1 336.479 2.857 40 0 EFABMO CN1C(=O)c2ccccc2[C@H](O)[C@]2(C)C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000019461862 471979345 /nfs/dbraw/zinc/97/93/45/471979345.db2.gz CDVBKHQCSLCOAU-SVFBPWRDSA-N 1 1 336.435 2.696 40 0 EFABMO Cn1cc2c(n1)[C@@H](C(=O)Nc1ccccc1F)C[N@H+](CC1CC1)C2 ZINC000019701567 471982571 /nfs/dbraw/zinc/98/25/71/471982571.db2.gz CLLPLSFSQNVTJX-AWEZNQCLSA-N 1 1 328.391 2.507 40 0 EFABMO CNc1nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)nc2c1CCNC2 ZINC000019711336 471982826 /nfs/dbraw/zinc/98/28/26/471982826.db2.gz QZOHRZTUMPEVEC-HNNXBMFYSA-N 1 1 341.503 2.700 40 0 EFABMO Cc1nc(-c2cncnc2[C@H]2CC[N@@H+](CCc3ccccc3)C2)no1 ZINC000019693863 471983638 /nfs/dbraw/zinc/98/36/38/471983638.db2.gz CBORJYXZFBQGNH-INIZCTEOSA-N 1 1 335.411 2.867 40 0 EFABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC3CC3)n2)cn1 ZINC000035425248 471996381 /nfs/dbraw/zinc/99/63/81/471996381.db2.gz XBSCRCVHXCSWNG-HNNXBMFYSA-N 1 1 343.431 2.737 40 0 biogenic,in-vitro EFABMO S=C(NC1CC1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000036569277 472001794 /nfs/dbraw/zinc/00/17/94/472001794.db2.gz PGSDIRMFGYBOJM-MVJTYMMSSA-N 1 1 331.529 2.918 40 0 EFABMO Cc1ccccc1C(=O)NCCNc1cc(N2CCCC2)[nH+]c(C)n1 ZINC000036708049 472004159 /nfs/dbraw/zinc/00/41/59/472004159.db2.gz LYQVEPJYEWWXEC-UHFFFAOYSA-N 1 1 339.443 2.536 40 0 EFABMO CSc1ncc(C(=O)N2CC[NH+](C(C)C)CC2)n1-c1ccccc1 ZINC000025137362 472081505 /nfs/dbraw/zinc/08/15/05/472081505.db2.gz MCDQFQXTUDBHPK-UHFFFAOYSA-N 1 1 344.484 2.760 40 0 EFABMO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000025217272 472084668 /nfs/dbraw/zinc/08/46/68/472084668.db2.gz DMFCANPKOPWISN-SFHVURJKSA-N 1 1 330.403 2.690 40 0 EFABMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000025368666 472093524 /nfs/dbraw/zinc/09/35/24/472093524.db2.gz SGSAEOMMBTURCY-MRXNPFEDSA-N 1 1 329.396 2.595 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(SC)n3C)C2)cc1 ZINC000026441088 472136227 /nfs/dbraw/zinc/13/62/27/472136227.db2.gz DWADXOMINRMLEG-AWEZNQCLSA-N 1 1 332.473 2.925 40 0 EFABMO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)on1 ZINC000055103445 472140866 /nfs/dbraw/zinc/14/08/66/472140866.db2.gz IJHPSVGYUGWRTL-ZDUSSCGKSA-N 1 1 329.400 2.895 40 0 EFABMO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000027987464 472207653 /nfs/dbraw/zinc/20/76/53/472207653.db2.gz GQHIKKCWZCYXIB-CYBMUJFWSA-N 1 1 325.817 2.877 40 0 EFABMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000085468127 472251445 /nfs/dbraw/zinc/25/14/45/472251445.db2.gz VSCLUJBLGNSVCM-QGZVFWFLSA-N 1 1 335.536 2.831 40 0 EFABMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000029712414 472290950 /nfs/dbraw/zinc/29/09/50/472290950.db2.gz DDQNLAGDQHTBGX-MRXNPFEDSA-N 1 1 346.452 2.505 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCCO3)CC2)cc1 ZINC000087052226 472301301 /nfs/dbraw/zinc/30/13/01/472301301.db2.gz HMUVZGNUPUSNNX-LJQANCHMSA-N 1 1 346.471 2.689 40 0 EFABMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000056517464 472331295 /nfs/dbraw/zinc/33/12/95/472331295.db2.gz TXXIQJMGQHYJBI-HZSPNIEDSA-N 1 1 333.432 2.903 40 0 EFABMO Cc1cc(NC(=O)CCN2CCC[N@@H+](Cc3ccccc3)CC2)no1 ZINC000044895968 472349415 /nfs/dbraw/zinc/34/94/15/472349415.db2.gz ZJTBMEZAEPRYJN-UHFFFAOYSA-N 1 1 342.443 2.520 40 0 EFABMO Cc1cc(NC(=O)CC[N@@H+]2CCCN(Cc3ccccc3)CC2)no1 ZINC000044895968 472349419 /nfs/dbraw/zinc/34/94/19/472349419.db2.gz ZJTBMEZAEPRYJN-UHFFFAOYSA-N 1 1 342.443 2.520 40 0 EFABMO Cc1cc(NC(=O)CC[N@H+]2CCCN(Cc3ccccc3)CC2)no1 ZINC000044895968 472349426 /nfs/dbraw/zinc/34/94/26/472349426.db2.gz ZJTBMEZAEPRYJN-UHFFFAOYSA-N 1 1 342.443 2.520 40 0 EFABMO C[N@@H+](CCN[C@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098752 472445509 /nfs/dbraw/zinc/44/55/09/472445509.db2.gz RFEIESOJRRFCSX-KRWDZBQOSA-N 1 1 336.501 2.759 40 0 EFABMO CN(CC[NH2+][C@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098752 472445513 /nfs/dbraw/zinc/44/55/13/472445513.db2.gz RFEIESOJRRFCSX-KRWDZBQOSA-N 1 1 336.501 2.759 40 0 EFABMO O=C(Nc1ccc(Cl)c(F)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000097101156 472447669 /nfs/dbraw/zinc/44/76/69/472447669.db2.gz GGEIHVAGMQBHTC-GFCCVEGCSA-N 1 1 341.814 2.665 40 0 EFABMO O=C(Nc1cccc2c1CCCC2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000097101127 472447762 /nfs/dbraw/zinc/44/77/62/472447762.db2.gz JXURDALUHRMKKU-INIZCTEOSA-N 1 1 343.471 2.751 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000057592585 472452056 /nfs/dbraw/zinc/45/20/56/472452056.db2.gz ZSASHYPADQKGFJ-OAHLLOKOSA-N 1 1 336.482 2.609 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000057592585 472452061 /nfs/dbraw/zinc/45/20/61/472452061.db2.gz ZSASHYPADQKGFJ-OAHLLOKOSA-N 1 1 336.482 2.609 40 0 EFABMO O=c1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)nc2ccccn12 ZINC000032851120 472473933 /nfs/dbraw/zinc/47/39/33/472473933.db2.gz LTXMBGQXEDSYGL-UHFFFAOYSA-N 1 1 333.391 2.689 40 0 EFABMO CCOc1ncccc1CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228282 472483313 /nfs/dbraw/zinc/48/33/13/472483313.db2.gz CLFIDMRHBRIWGB-LPHOPBHVSA-N 1 1 340.471 2.876 40 0 EFABMO CCOc1ncccc1CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228282 472483317 /nfs/dbraw/zinc/48/33/17/472483317.db2.gz CLFIDMRHBRIWGB-LPHOPBHVSA-N 1 1 340.471 2.876 40 0 EFABMO COCC[N@H+](C)Cc1ccnc(NC(=O)c2cccc(C)c2F)c1 ZINC000097228010 472484175 /nfs/dbraw/zinc/48/41/75/472484175.db2.gz VNUHYMBYFKPIPR-UHFFFAOYSA-N 1 1 331.391 2.860 40 0 EFABMO COCC[N@@H+](C)Cc1ccnc(NC(=O)c2cccc(C)c2F)c1 ZINC000097228010 472484181 /nfs/dbraw/zinc/48/41/81/472484181.db2.gz VNUHYMBYFKPIPR-UHFFFAOYSA-N 1 1 331.391 2.860 40 0 EFABMO Cc1cccc(CO[C@@H]2C[N@@H+](Cc3ccoc3)[C@@H]3CCCO[C@H]23)n1 ZINC000097953790 472512716 /nfs/dbraw/zinc/51/27/16/472512716.db2.gz FFRXIDNNNPIFGH-QRVBRYPASA-N 1 1 328.412 2.932 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@H]2OCC[C@H]2[C@H](C(=O)N2CCCC2)C1 ZINC000097953394 472512901 /nfs/dbraw/zinc/51/29/01/472512901.db2.gz DYYJXMWAGWRZEE-ARFHVFGLSA-N 1 1 334.485 2.516 40 0 EFABMO Cc1cccc(NC2CCN(C(=O)Cc3cccc(O)c3)CC2)[nH+]1 ZINC000077615189 472567446 /nfs/dbraw/zinc/56/74/46/472567446.db2.gz YFKOKEXYRHNILG-UHFFFAOYSA-N 1 1 325.412 2.741 40 0 EFABMO Cc1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC000090142049 472600753 /nfs/dbraw/zinc/60/07/53/472600753.db2.gz GOXHRVUCYVQYHA-LJQANCHMSA-N 1 1 348.406 2.789 40 0 EFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1OC ZINC000072227086 472634099 /nfs/dbraw/zinc/63/40/99/472634099.db2.gz NTSVLSVJOQNZKH-IAGOWNOFSA-N 1 1 346.814 2.768 40 0 EFABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)c1 ZINC000072227294 472634762 /nfs/dbraw/zinc/63/47/62/472634762.db2.gz MLOAGBAMFDTZOU-LSDHHAIUSA-N 1 1 347.212 2.873 40 0 EFABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227263 472634897 /nfs/dbraw/zinc/63/48/97/472634897.db2.gz NVKUNTKADVGODZ-GJZGRUSLSA-N 1 1 347.212 2.873 40 0 EFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 ZINC000072227696 472634923 /nfs/dbraw/zinc/63/49/23/472634923.db2.gz AXKXJSLYZXAIMO-HZPDHXFCSA-N 1 1 330.771 2.526 40 0 EFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1 ZINC000072227695 472635085 /nfs/dbraw/zinc/63/50/85/472635085.db2.gz AXKXJSLYZXAIMO-HOTGVXAUSA-N 1 1 330.771 2.526 40 0 EFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N)[nH+]c2C)cc1 ZINC000072218569 472635316 /nfs/dbraw/zinc/63/53/16/472635316.db2.gz LJXDWHGNQNYVGX-MRXNPFEDSA-N 1 1 331.441 2.806 40 0 EFABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000072227906 472635648 /nfs/dbraw/zinc/63/56/48/472635648.db2.gz MTTFYUPIGSPULU-JKSUJKDBSA-N 1 1 332.787 2.772 40 0 EFABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)s1 ZINC000072228132 472636159 /nfs/dbraw/zinc/63/61/59/472636159.db2.gz FMURDHUJADJDSI-CHWSQXEVSA-N 1 1 337.242 2.921 40 0 EFABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)s1 ZINC000072228130 472636635 /nfs/dbraw/zinc/63/66/35/472636635.db2.gz FMURDHUJADJDSI-QWHCGFSZSA-N 1 1 337.242 2.921 40 0 EFABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)CCC2CCCC2)C1 ZINC000072374025 472663815 /nfs/dbraw/zinc/66/38/15/472663815.db2.gz BPNWSYIUOBTNHI-MRXNPFEDSA-N 1 1 345.491 2.748 40 0 EFABMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000132129538 472716372 /nfs/dbraw/zinc/71/63/72/472716372.db2.gz DTOLDTVRJDJQLO-GRTSSRMGSA-N 1 1 340.489 2.673 40 0 EFABMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000132129755 472716961 /nfs/dbraw/zinc/71/69/61/472716961.db2.gz DTOLDTVRJDJQLO-LRVUVFPRSA-N 1 1 340.489 2.673 40 0 EFABMO CC1=C2C[C@@H]3[C@H](C[N@@H+](C)CC4OCCO4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000061992827 472727508 /nfs/dbraw/zinc/72/75/08/472727508.db2.gz NXXCEAWRSOBYOT-DOHHPOSVSA-N 1 1 349.471 2.749 40 0 biogenic EFABMO CC(C)(C)OC(=O)N1CCC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000091302891 472753262 /nfs/dbraw/zinc/75/32/62/472753262.db2.gz MMBTYHLAANACEW-JKSUJKDBSA-N 1 1 330.428 2.697 40 0 EFABMO COc1ccccc1C[N@@H+](C)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000078921821 472789279 /nfs/dbraw/zinc/78/92/79/472789279.db2.gz PCPHIODLUJAFES-UHFFFAOYSA-N 1 1 334.441 2.699 40 0 EFABMO CSCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079311096 472847139 /nfs/dbraw/zinc/84/71/39/472847139.db2.gz GEJGNQVQKFTPHQ-CYBMUJFWSA-N 1 1 332.391 2.759 40 0 EFABMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391726 472856618 /nfs/dbraw/zinc/85/66/18/472856618.db2.gz GCSPURZGHRMZLX-UHFFFAOYSA-N 1 1 334.460 2.738 40 0 EFABMO O=C(OCc1ccccc1)N1CCCC[C@@H]1C[N@H+](CCO)C1CC1 ZINC000079390923 472857320 /nfs/dbraw/zinc/85/73/20/472857320.db2.gz CLIGMJYADFFTGY-GOSISDBHSA-N 1 1 332.444 2.634 40 0 EFABMO Cc1ccc(C[NH+]2CCOCC2)cc1NC1CCC2(CC1)OCCO2 ZINC000157797914 472860492 /nfs/dbraw/zinc/86/04/92/472860492.db2.gz HPBJQGXFHQCSAC-UHFFFAOYSA-N 1 1 346.471 2.925 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000073743279 472866438 /nfs/dbraw/zinc/86/64/38/472866438.db2.gz NVFXMJRRAQMWFI-AWEZNQCLSA-N 1 1 331.460 2.523 40 0 EFABMO O[C@H](C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C(F)(F)F ZINC000158142777 472896973 /nfs/dbraw/zinc/89/69/73/472896973.db2.gz QFYSXNODCJMNOU-CYBMUJFWSA-N 1 1 325.277 2.731 40 0 EFABMO O=C(c1cccc(-c2noc(C3CC3)n2)c1)N1CC[NH+](C2CC2)CC1 ZINC000079779146 472921974 /nfs/dbraw/zinc/92/19/74/472921974.db2.gz JFPCZLRLJXSILK-UHFFFAOYSA-N 1 1 338.411 2.534 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000108531085 473036129 /nfs/dbraw/zinc/03/61/29/473036129.db2.gz BFHLDJFMYZFNKP-FUHWJXTLSA-N 1 1 349.425 2.988 40 0 EFABMO CCc1nc2ccccc2n1C1CC[NH+](Cc2nccc(N)n2)CC1 ZINC000093302120 473078303 /nfs/dbraw/zinc/07/83/03/473078303.db2.gz FYSWXZDCLZHEAH-UHFFFAOYSA-N 1 1 336.443 2.808 40 0 EFABMO c1ccc(-c2cccc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)c2)nc1 ZINC000093664895 473133506 /nfs/dbraw/zinc/13/35/06/473133506.db2.gz XJBPCPLBULENAR-IBGZPJMESA-N 1 1 337.467 2.903 40 0 EFABMO C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)n1cccn1 ZINC000110647771 473168786 /nfs/dbraw/zinc/16/87/86/473168786.db2.gz XGSWOUTZOZZLSF-HOTGVXAUSA-N 1 1 342.443 2.803 40 0 EFABMO C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000110674618 473169803 /nfs/dbraw/zinc/16/98/03/473169803.db2.gz CQYLRDKBAXXDPX-UXLLHSPISA-N 1 1 348.512 2.882 40 0 EFABMO Cc1nc(-c2ccccc2NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)no1 ZINC000110686005 473171151 /nfs/dbraw/zinc/17/11/51/473171151.db2.gz NAZLVLZCJLFUDR-WBMJQRKESA-N 1 1 343.431 2.849 40 0 EFABMO COc1ccc(C[C@@H](C)CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000110695711 473172942 /nfs/dbraw/zinc/17/29/42/473172942.db2.gz GCBRCEYZHIMEER-GJYPPUQNSA-N 1 1 347.503 2.855 40 0 EFABMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414890 473393653 /nfs/dbraw/zinc/39/36/53/473393653.db2.gz GBWPDXUUCNYZKI-DOTOQJQBSA-N 1 1 339.439 2.584 40 0 EFABMO Cc1ncsc1CCN1CC[NH+](CCOc2ccccc2C)CC1 ZINC000096414873 473394509 /nfs/dbraw/zinc/39/45/09/473394509.db2.gz LVURWGRGYPCFJZ-UHFFFAOYSA-N 1 1 345.512 2.999 40 0 EFABMO Cc1csc(N(C)C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000096418469 473398462 /nfs/dbraw/zinc/39/84/62/473398462.db2.gz UTRCNRNLENMLKU-MRXNPFEDSA-N 1 1 345.468 2.705 40 0 EFABMO Cc1csc(N(C)C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000096418469 473398469 /nfs/dbraw/zinc/39/84/69/473398469.db2.gz UTRCNRNLENMLKU-MRXNPFEDSA-N 1 1 345.468 2.705 40 0 EFABMO CC[C@]1(C)CN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000190822369 473401942 /nfs/dbraw/zinc/40/19/42/473401942.db2.gz GRASBDFWZKUIFY-FRQCXROJSA-N 1 1 337.508 2.850 40 0 EFABMO CNS(=O)(=O)c1cccc(CNc2cc[nH+]c3ccsc32)c1 ZINC000096427322 473407535 /nfs/dbraw/zinc/40/75/35/473407535.db2.gz CKVUGYYXDMJJKR-UHFFFAOYSA-N 1 1 333.438 2.817 40 0 EFABMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000096434068 473412936 /nfs/dbraw/zinc/41/29/36/473412936.db2.gz LWHFLHQDTVNBAU-UHFFFAOYSA-N 1 1 338.415 2.979 40 0 EFABMO CN(Cc1ccsc1)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096435915 473414823 /nfs/dbraw/zinc/41/48/23/473414823.db2.gz CCIDUJOGFIBZRX-GOSISDBHSA-N 1 1 344.480 2.998 40 0 EFABMO CN(Cc1ccsc1)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096435915 473414830 /nfs/dbraw/zinc/41/48/30/473414830.db2.gz CCIDUJOGFIBZRX-GOSISDBHSA-N 1 1 344.480 2.998 40 0 EFABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1cn[nH]c1 ZINC000096435674 473415024 /nfs/dbraw/zinc/41/50/24/473415024.db2.gz XJMXNSGBNDSLKH-INIZCTEOSA-N 1 1 327.432 2.786 40 0 EFABMO C[C@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435887 473415358 /nfs/dbraw/zinc/41/53/58/473415358.db2.gz FALIYFLAPBQPSU-LPHOPBHVSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435887 473415362 /nfs/dbraw/zinc/41/53/62/473415362.db2.gz FALIYFLAPBQPSU-LPHOPBHVSA-N 1 1 339.439 2.550 40 0 EFABMO Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc2c(c1)CCC2 ZINC000096439085 473418117 /nfs/dbraw/zinc/41/81/17/473418117.db2.gz PZMVLLZEODZUSL-UHFFFAOYSA-N 1 1 326.444 2.960 40 0 EFABMO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000096443304 473420873 /nfs/dbraw/zinc/42/08/73/473420873.db2.gz DBOSNMQGTFPKOV-MRXNPFEDSA-N 1 1 331.460 2.560 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000096445548 473423385 /nfs/dbraw/zinc/42/33/85/473423385.db2.gz FCALPMOWVWGKNR-OXQOHEQNSA-N 1 1 347.478 2.763 40 0 EFABMO CCO[C@H](CCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000096447377 473426617 /nfs/dbraw/zinc/42/66/17/473426617.db2.gz ZZKAAJQENLMIMB-QZTJIDSGSA-N 1 1 337.508 2.852 40 0 EFABMO O=C(NCC[S@@](=O)c1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452091 473428304 /nfs/dbraw/zinc/42/83/04/473428304.db2.gz VMNNAMKUSSWFAV-FYSMJZIKSA-N 1 1 348.512 2.565 40 0 EFABMO Cc1cc(N2CCC(NC(=O)c3ccnc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000096454882 473430605 /nfs/dbraw/zinc/43/06/05/473430605.db2.gz LMHJQSGYBUINIZ-UHFFFAOYSA-N 1 1 345.834 2.541 40 0 EFABMO O=C(NC[C@H](O)c1ccsc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096456293 473432449 /nfs/dbraw/zinc/43/24/49/473432449.db2.gz WPGRGNZQFFGDCS-SJORKVTESA-N 1 1 348.443 2.701 40 0 EFABMO O=C(NC[C@H](O)c1ccsc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000096456293 473432458 /nfs/dbraw/zinc/43/24/58/473432458.db2.gz WPGRGNZQFFGDCS-SJORKVTESA-N 1 1 348.443 2.701 40 0 EFABMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](c2ccsc2)O1 ZINC000096469923 473435997 /nfs/dbraw/zinc/43/59/97/473435997.db2.gz GQCYJVWDMBUWCW-DZUCGIPZSA-N 1 1 349.500 2.846 40 0 EFABMO C[C@H]1C[N@@H+](CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000096483369 473441768 /nfs/dbraw/zinc/44/17/68/473441768.db2.gz LJTKZLYXNPAXOS-GJZGRUSLSA-N 1 1 326.481 2.917 40 0 EFABMO Clc1cnccc1C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000096490841 473447491 /nfs/dbraw/zinc/44/74/91/473447491.db2.gz UIWHFRBFJTWNFF-GOSISDBHSA-N 1 1 331.847 2.898 40 0 EFABMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096497152 473451805 /nfs/dbraw/zinc/45/18/05/473451805.db2.gz PZFORTKNLNTSBE-ZBFHGGJFSA-N 1 1 334.370 2.642 40 0 EFABMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096497152 473451812 /nfs/dbraw/zinc/45/18/12/473451812.db2.gz PZFORTKNLNTSBE-ZBFHGGJFSA-N 1 1 334.370 2.642 40 0 EFABMO Cc1cnccc1CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096500581 473452486 /nfs/dbraw/zinc/45/24/86/473452486.db2.gz GIYAOVZRINYMLA-FUHWJXTLSA-N 1 1 344.503 2.885 40 0 EFABMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CCCCC1 ZINC000096500979 473453319 /nfs/dbraw/zinc/45/33/19/473453319.db2.gz SDGRACYZYRQCRE-IBGZPJMESA-N 1 1 330.472 2.840 40 0 EFABMO COc1cc2c(cc1C[NH2+][C@@H](c1nccn1C)C1CC1)O[C@@H](C)C2 ZINC000127560541 473626901 /nfs/dbraw/zinc/62/69/01/473626901.db2.gz JMVJGYOMEVMVES-KPZWWZAWSA-N 1 1 327.428 2.993 40 0 EFABMO CN(C)c1noc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000192747980 473719003 /nfs/dbraw/zinc/71/90/03/473719003.db2.gz ICSVNDRLLOLNNP-GFCCVEGCSA-N 1 1 347.488 2.851 40 0 EFABMO CN(C)c1noc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000192747980 473719009 /nfs/dbraw/zinc/71/90/09/473719009.db2.gz ICSVNDRLLOLNNP-GFCCVEGCSA-N 1 1 347.488 2.851 40 0 EFABMO CCOc1cncc(N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)n1 ZINC000192790050 473726514 /nfs/dbraw/zinc/72/65/14/473726514.db2.gz BESLGWRWAAJWLP-AWEZNQCLSA-N 1 1 347.488 2.599 40 0 EFABMO O=C(C[N@H+]1CC[C@@H](CO)C1)N1c2ccccc2CCc2ccccc21 ZINC000193379264 473783152 /nfs/dbraw/zinc/78/31/52/473783152.db2.gz YPOLLBFMPPOMGK-MRXNPFEDSA-N 1 1 336.435 2.764 40 0 EFABMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1c2ccccc2CCc2ccccc21 ZINC000193379264 473783160 /nfs/dbraw/zinc/78/31/60/473783160.db2.gz YPOLLBFMPPOMGK-MRXNPFEDSA-N 1 1 336.435 2.764 40 0 EFABMO Cc1cc([C@@H](C)NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000194929189 473977210 /nfs/dbraw/zinc/97/72/10/473977210.db2.gz NRTOBMNYZATDBB-QLFBSQMISA-N 1 1 337.464 2.708 40 0 EFABMO Cc1cc([C@@H](C)NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000194929189 473977215 /nfs/dbraw/zinc/97/72/15/473977215.db2.gz NRTOBMNYZATDBB-QLFBSQMISA-N 1 1 337.464 2.708 40 0 EFABMO CC[C@@]1(C)CN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCO1 ZINC000188135432 473996667 /nfs/dbraw/zinc/99/66/67/473996667.db2.gz FLJNAUQUQRDFDN-IBGZPJMESA-N 1 1 346.475 2.569 40 0 EFABMO c1c[nH]c([C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048961 473998183 /nfs/dbraw/zinc/99/81/83/473998183.db2.gz WTTFEDYHWBMBPK-MSOLQXFVSA-N 1 1 325.460 2.748 40 0 EFABMO Cc1ccccc1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188174260 474008513 /nfs/dbraw/zinc/00/85/13/474008513.db2.gz USQWACXAUJNUNK-NRFANRHFSA-N 1 1 338.451 2.704 40 0 EFABMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195298466 474053742 /nfs/dbraw/zinc/05/37/42/474053742.db2.gz NLNMBJCSRMRDGL-FQEVSTJZSA-N 1 1 325.456 2.528 40 0 EFABMO O=C(NC[C@@H](O)c1ccsc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000195535529 474090512 /nfs/dbraw/zinc/09/05/12/474090512.db2.gz WPGRGNZQFFGDCS-IAGOWNOFSA-N 1 1 348.443 2.701 40 0 EFABMO O=C(NC[C@@H](O)c1ccsc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000195535529 474090518 /nfs/dbraw/zinc/09/05/18/474090518.db2.gz WPGRGNZQFFGDCS-IAGOWNOFSA-N 1 1 348.443 2.701 40 0 EFABMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)cc(OC)c1 ZINC000195537651 474091478 /nfs/dbraw/zinc/09/14/78/474091478.db2.gz QPARMGIBNJQDHF-IAGOWNOFSA-N 1 1 344.455 2.751 40 0 EFABMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC=CCC3)C2)cc(OC)c1 ZINC000195537651 474091486 /nfs/dbraw/zinc/09/14/86/474091486.db2.gz QPARMGIBNJQDHF-IAGOWNOFSA-N 1 1 344.455 2.751 40 0 EFABMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H](c2ccsc2)O1 ZINC000195539312 474092301 /nfs/dbraw/zinc/09/23/01/474092301.db2.gz GQCYJVWDMBUWCW-SIXLDLHFSA-N 1 1 349.500 2.846 40 0 EFABMO CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000195565169 474097179 /nfs/dbraw/zinc/09/71/79/474097179.db2.gz FFALTFDBBMBPCY-SJEKWGBGSA-N 1 1 343.515 2.934 40 0 EFABMO CC(=O)NC1CCC([NH2+]C[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)CC1 ZINC000195565167 474097765 /nfs/dbraw/zinc/09/77/65/474097765.db2.gz FFALTFDBBMBPCY-ZBRPZPHNSA-N 1 1 343.515 2.934 40 0 EFABMO O=C(NCc1nnc(C2CC2)o1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000188687654 474167187 /nfs/dbraw/zinc/16/71/87/474167187.db2.gz RGEHVGWBAAYISF-MRXNPFEDSA-N 1 1 340.427 2.618 40 0 EFABMO O=C(NCc1nnc(C2CC2)o1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000188687654 474167192 /nfs/dbraw/zinc/16/71/92/474167192.db2.gz RGEHVGWBAAYISF-MRXNPFEDSA-N 1 1 340.427 2.618 40 0 EFABMO Cc1cc(NCCC[NH3+])c2cc(I)ccc2n1 ZINC000222687978 474172238 /nfs/dbraw/zinc/17/22/38/474172238.db2.gz IALGWKIVGRLZEV-UHFFFAOYSA-N 1 1 341.196 2.909 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cccs2)cc1 ZINC000223703877 474188897 /nfs/dbraw/zinc/18/88/97/474188897.db2.gz ZCEVMMVVJUBCHG-UHFFFAOYSA-N 1 1 333.438 2.721 40 0 EFABMO CCCCOCc1cc(C(=O)N2CC[NH+](CC)CC2)ccc1OC ZINC000224442210 474197972 /nfs/dbraw/zinc/19/79/72/474197972.db2.gz TVKFQOZKZUZINK-UHFFFAOYSA-N 1 1 334.460 2.790 40 0 EFABMO c1ccc(CO[C@@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)nc1 ZINC000247833993 474214521 /nfs/dbraw/zinc/21/45/21/474214521.db2.gz MSBZWSHTPRZHOE-KRWDZBQOSA-N 1 1 327.453 2.753 40 0 EFABMO Cc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CS3)n1 ZINC000247863588 474217544 /nfs/dbraw/zinc/21/75/44/474217544.db2.gz HKSHVYVFFGZWEK-INIZCTEOSA-N 1 1 327.453 2.924 40 0 EFABMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2nc3c(cnn3C)c(N)n2)cc1 ZINC000225513018 474219161 /nfs/dbraw/zinc/21/91/61/474219161.db2.gz BCVBUXVVASCCBW-LLVKDONJSA-N 1 1 348.414 2.613 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccoc2)n1 ZINC000247885542 474222520 /nfs/dbraw/zinc/22/25/20/474222520.db2.gz RNJSETOEHWTZSP-ZOBUZTSGSA-N 1 1 334.441 2.932 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccoc2)n1 ZINC000247885542 474222526 /nfs/dbraw/zinc/22/25/26/474222526.db2.gz RNJSETOEHWTZSP-ZOBUZTSGSA-N 1 1 334.441 2.932 40 0 EFABMO Cc1nnsc1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000225558276 474223537 /nfs/dbraw/zinc/22/35/37/474223537.db2.gz RODPNNXLSWVHIM-RYUDHWBXSA-N 1 1 346.456 2.708 40 0 EFABMO C[C@H](c1ccccn1)[NH+]1CCN(c2nc3c(cccc3F)n2C)CC1 ZINC000225574246 474226413 /nfs/dbraw/zinc/22/64/13/474226413.db2.gz OZASNHGPLUESJJ-CQSZACIVSA-N 1 1 339.418 2.991 40 0 EFABMO c1coc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3Cc2cccnc2)c1 ZINC000247926112 474228287 /nfs/dbraw/zinc/22/82/87/474228287.db2.gz PNQTYYMGKCOXSE-MOPGFXCFSA-N 1 1 327.428 2.540 40 0 EFABMO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)ccc1F ZINC000225609171 474228510 /nfs/dbraw/zinc/22/85/10/474228510.db2.gz NCKFVOZWAJNQIU-CYBMUJFWSA-N 1 1 328.453 2.534 40 0 EFABMO Cn1cc(C(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cn1 ZINC000225888523 474238548 /nfs/dbraw/zinc/23/85/48/474238548.db2.gz JUSMCYBJKDVKOE-UHFFFAOYSA-N 1 1 343.818 2.854 40 0 EFABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](Oc1ccccn1)CS2 ZINC000248001543 474242702 /nfs/dbraw/zinc/24/27/02/474242702.db2.gz CDEYJMXIRZOHAT-ZDUSSCGKSA-N 1 1 333.482 2.985 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070643 474254853 /nfs/dbraw/zinc/25/48/53/474254853.db2.gz GESCCDCBNGHGCD-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070643 474254858 /nfs/dbraw/zinc/25/48/58/474254858.db2.gz GESCCDCBNGHGCD-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070643 474254865 /nfs/dbraw/zinc/25/48/65/474254865.db2.gz GESCCDCBNGHGCD-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](Cn4cccn4)O3)C2)s1 ZINC000248070156 474255246 /nfs/dbraw/zinc/25/52/46/474255246.db2.gz FXMNTOFPJLRWJJ-WMZOPIPTSA-N 1 1 347.484 2.703 40 0 EFABMO C[N@@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)c1ccccc1F)C2 ZINC000248084241 474257133 /nfs/dbraw/zinc/25/71/33/474257133.db2.gz AYRCHYBUDKHXJF-INIZCTEOSA-N 1 1 346.446 2.789 40 0 EFABMO C[N@H+]1CC[C@H](COCC2CC2)CC12CN(C(=O)c1ccccc1F)C2 ZINC000248084241 474257143 /nfs/dbraw/zinc/25/71/43/474257143.db2.gz AYRCHYBUDKHXJF-INIZCTEOSA-N 1 1 346.446 2.789 40 0 EFABMO C[NH+]1CCC[C@@H]2C[N@@H+](CC3(CN4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259526 /nfs/dbraw/zinc/25/95/26/474259526.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 1 1 349.563 2.685 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117078 474261238 /nfs/dbraw/zinc/26/12/38/474261238.db2.gz SQXOYEIHHGXUSK-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117078 474261242 /nfs/dbraw/zinc/26/12/42/474261242.db2.gz SQXOYEIHHGXUSK-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)s1 ZINC000248117078 474261244 /nfs/dbraw/zinc/26/12/44/474261244.db2.gz SQXOYEIHHGXUSK-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000248154674 474271713 /nfs/dbraw/zinc/27/17/13/474271713.db2.gz YUYIWESOKHMODH-QGPMSJSTSA-N 1 1 327.428 2.980 40 0 EFABMO C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000248161851 474273839 /nfs/dbraw/zinc/27/38/39/474273839.db2.gz XXZZFTWLJBTBND-CJNGLKHVSA-N 1 1 332.835 2.613 40 0 EFABMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000248161851 474273843 /nfs/dbraw/zinc/27/38/43/474273843.db2.gz XXZZFTWLJBTBND-CJNGLKHVSA-N 1 1 332.835 2.613 40 0 EFABMO Cc1ccccc1C[NH+]1CC2(C1)C[C@@H](Oc1cnccn1)CCO2 ZINC000248170180 474275702 /nfs/dbraw/zinc/27/57/02/474275702.db2.gz VHIDQBRMNALAMC-KRWDZBQOSA-N 1 1 325.412 2.597 40 0 EFABMO CCc1nnc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000189447727 474401868 /nfs/dbraw/zinc/40/18/68/474401868.db2.gz YOSOSPQLBLGYPD-GXTWGEPZSA-N 1 1 331.445 2.667 40 0 EFABMO CC(=O)N1CC[NH+](Cc2cccc(NCc3ccc(C)o3)c2)CC1 ZINC000189512801 474426693 /nfs/dbraw/zinc/42/66/93/474426693.db2.gz XYXFOPGECXNKCP-UHFFFAOYSA-N 1 1 327.428 2.864 40 0 EFABMO O=C(NC[C@@H]1CC[C@@H](O)C1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000248884301 474471276 /nfs/dbraw/zinc/47/12/76/474471276.db2.gz GXVUJKOROBPEGR-GUDVDZBRSA-N 1 1 345.487 2.501 40 0 EFABMO CC(C)n1ncnc1C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000239667143 474546087 /nfs/dbraw/zinc/54/60/87/474546087.db2.gz BPBLKBLBPYFHTA-KBXCAEBGSA-N 1 1 334.464 2.803 40 0 EFABMO CC(C)n1ncnc1C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000239667143 474546088 /nfs/dbraw/zinc/54/60/88/474546088.db2.gz BPBLKBLBPYFHTA-KBXCAEBGSA-N 1 1 334.464 2.803 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@H]1CCOC1=O ZINC000249301669 474555817 /nfs/dbraw/zinc/55/58/17/474555817.db2.gz NSUPBLUQZXBJMS-OGWHTMIXSA-N 1 1 330.472 2.686 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@H]2CN2CCCC2)C1 ZINC000245289568 474573104 /nfs/dbraw/zinc/57/31/04/474573104.db2.gz CSRGGITVCGAXDQ-IRXDYDNUSA-N 1 1 337.508 2.804 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@@H](CN2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000245289568 474573109 /nfs/dbraw/zinc/57/31/09/474573109.db2.gz CSRGGITVCGAXDQ-IRXDYDNUSA-N 1 1 337.508 2.804 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@H]2CN2CCCC2)C1 ZINC000245289569 474573575 /nfs/dbraw/zinc/57/35/75/474573575.db2.gz CSRGGITVCGAXDQ-SJORKVTESA-N 1 1 337.508 2.804 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000245289569 474573582 /nfs/dbraw/zinc/57/35/82/474573582.db2.gz CSRGGITVCGAXDQ-SJORKVTESA-N 1 1 337.508 2.804 40 0 EFABMO CCO[C@@H](CCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000245358638 474574364 /nfs/dbraw/zinc/57/43/64/474574364.db2.gz ZZKAAJQENLMIMB-ROUUACIJSA-N 1 1 337.508 2.852 40 0 EFABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)[C@H]1CCSC1 ZINC000245344129 474574534 /nfs/dbraw/zinc/57/45/34/474574534.db2.gz XSHCOXSRGLRSBM-BBRMVZONSA-N 1 1 344.484 2.664 40 0 EFABMO c1ccc(CN2CCC([NH+]3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000252488906 474675855 /nfs/dbraw/zinc/67/58/55/474675855.db2.gz JBKLVKMRSJDFEB-UHFFFAOYSA-N 1 1 336.483 2.868 40 0 EFABMO CC(C)(C)SCC[N@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000252494411 474678749 /nfs/dbraw/zinc/67/87/49/474678749.db2.gz NURZPVCCPZOSCY-NSHDSACASA-N 1 1 326.428 2.909 40 0 EFABMO C[C@@H]1C[C@H](CNC(=O)NCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000252509605 474687583 /nfs/dbraw/zinc/68/75/83/474687583.db2.gz YRHIYRIADNKISI-SJLPKXTDSA-N 1 1 345.487 2.501 40 0 EFABMO COC(=O)CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252511299 474689669 /nfs/dbraw/zinc/68/96/69/474689669.db2.gz ZXGVCFUBRPSVAM-DOTOQJQBSA-N 1 1 346.471 2.745 40 0 EFABMO CCOC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000252517005 474692977 /nfs/dbraw/zinc/69/29/77/474692977.db2.gz YSNHSYXJKRXCSS-QRVBRYPASA-N 1 1 345.464 2.669 40 0 EFABMO C[N@H+]1CC[C@H](Nc2nccn3c2nnc3C2CC2)[C@H]1c1ccccc1 ZINC000252540592 474696265 /nfs/dbraw/zinc/69/62/65/474696265.db2.gz PPAIESSKKICYPF-JKSUJKDBSA-N 1 1 334.427 2.859 40 0 EFABMO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252581806 474697586 /nfs/dbraw/zinc/69/75/86/474697586.db2.gz MUABDEMJMCWDES-CEXWTWQISA-N 1 1 345.487 2.512 40 0 EFABMO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252572224 474698402 /nfs/dbraw/zinc/69/84/02/474698402.db2.gz YZSFABCRSHPGQK-CZUORRHYSA-N 1 1 344.484 2.829 40 0 EFABMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000252587349 474699458 /nfs/dbraw/zinc/69/94/58/474699458.db2.gz XQDRJLYGENAHLF-HIFRSBDPSA-N 1 1 328.503 2.557 40 0 EFABMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccsc2)C1 ZINC000252587350 474699830 /nfs/dbraw/zinc/69/98/30/474699830.db2.gz XQDRJLYGENAHLF-ZFWWWQNUSA-N 1 1 328.503 2.557 40 0 EFABMO CSc1cncc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000253370422 474727620 /nfs/dbraw/zinc/72/76/20/474727620.db2.gz QTTPLQCQJRXXKO-UKRRQHHQSA-N 1 1 329.473 2.916 40 0 EFABMO CCN1CC[C@@H]([NH2+]Cc2csnn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370841 474728565 /nfs/dbraw/zinc/72/85/65/474728565.db2.gz WYFIZOCEUQNUFB-UKRRQHHQSA-N 1 1 342.390 2.881 40 0 EFABMO CSc1cccc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1C ZINC000253417931 474744047 /nfs/dbraw/zinc/74/40/47/474744047.db2.gz PEMLDTJELIYURC-BBRMVZONSA-N 1 1 349.500 2.901 40 0 EFABMO CSc1cccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1C ZINC000253417950 474744907 /nfs/dbraw/zinc/74/49/07/474744907.db2.gz PEMLDTJELIYURC-XJKSGUPXSA-N 1 1 349.500 2.901 40 0 EFABMO Cc1nc(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n(C)n1 ZINC000253418871 474745484 /nfs/dbraw/zinc/74/54/84/474745484.db2.gz BXBCEWFQPPOJGB-CQSZACIVSA-N 1 1 342.447 2.569 40 0 EFABMO Cn1cc(CCC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000253419156 474746966 /nfs/dbraw/zinc/74/69/66/474746966.db2.gz KAURBZDLHIRLQL-QAPCUYQASA-N 1 1 346.500 2.614 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)CC(F)(F)F)[C@@H](C)C2)s1 ZINC000253419939 474747318 /nfs/dbraw/zinc/74/73/18/474747318.db2.gz SYWVYLUYTKRSJE-JOYOIKCWSA-N 1 1 335.395 2.731 40 0 EFABMO Cn1cc(CCC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000253419153 474747926 /nfs/dbraw/zinc/74/79/26/474747926.db2.gz KAURBZDLHIRLQL-CRAIPNDOSA-N 1 1 346.500 2.614 40 0 EFABMO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCCC[C@H]3CO)cs2)c1 ZINC000253425708 474751533 /nfs/dbraw/zinc/75/15/33/474751533.db2.gz DRACQNOTCPBXBJ-INIZCTEOSA-N 1 1 346.452 2.944 40 0 EFABMO COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC[C@H]3CO)cs2)c1 ZINC000253425708 474751538 /nfs/dbraw/zinc/75/15/38/474751538.db2.gz DRACQNOTCPBXBJ-INIZCTEOSA-N 1 1 346.452 2.944 40 0 EFABMO CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](CNc3nc4ccccc4o3)O2)C1 ZINC000306123368 474805576 /nfs/dbraw/zinc/80/55/76/474805576.db2.gz ALJJFKAMQPMAHP-DNVCBOLYSA-N 1 1 345.443 2.898 40 0 EFABMO COC[C@H]1CC[N@@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000306127866 474806537 /nfs/dbraw/zinc/80/65/37/474806537.db2.gz GJNUMUMHJUZHRV-INIZCTEOSA-N 1 1 325.456 2.777 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141489 474811480 /nfs/dbraw/zinc/81/14/80/474811480.db2.gz VXUVCJLCDWCHPP-GOEBONIOSA-N 1 1 339.468 2.649 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cn1 ZINC000306141491 474811722 /nfs/dbraw/zinc/81/17/22/474811722.db2.gz VXUVCJLCDWCHPP-ZBFHGGJFSA-N 1 1 339.468 2.649 40 0 EFABMO O[C@H]1CC[N@H+](Cc2ccccc2Br)C[C@@]12CCCO2 ZINC000257281959 474929889 /nfs/dbraw/zinc/92/98/89/474929889.db2.gz ORSHEMZVEDQKSS-GJZGRUSLSA-N 1 1 326.234 2.565 40 0 EFABMO O[C@H]1CC[N@@H+](Cc2ccccc2Br)C[C@@]12CCCO2 ZINC000257281959 474929896 /nfs/dbraw/zinc/92/98/96/474929896.db2.gz ORSHEMZVEDQKSS-GJZGRUSLSA-N 1 1 326.234 2.565 40 0 EFABMO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@@H+](CCO)C3)n2)sc1C ZINC000257283765 474931991 /nfs/dbraw/zinc/93/19/91/474931991.db2.gz OZUCNBZPIWJXRB-AWEZNQCLSA-N 1 1 347.488 2.774 40 0 EFABMO C[N@H+]1CCCN(C(=O)c2ccc(Cc3cccc(F)c3)nc2)CC1 ZINC000257285623 474932153 /nfs/dbraw/zinc/93/21/53/474932153.db2.gz PIAAXFUFGQVMQT-UHFFFAOYSA-N 1 1 327.403 2.589 40 0 EFABMO COCCN1C(=O)CCC[C@H]2C[N@H+](Cc3ccccc3OC)CC[C@H]21 ZINC000257288713 474933682 /nfs/dbraw/zinc/93/36/82/474933682.db2.gz PVGPZKBWSPAHLT-FUHWJXTLSA-N 1 1 346.471 2.545 40 0 EFABMO CC(C)c1nnc(CCC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000257288311 474934137 /nfs/dbraw/zinc/93/41/37/474934137.db2.gz PTSLSVNCAZHJHB-INIZCTEOSA-N 1 1 342.443 2.641 40 0 EFABMO CC(C)c1nnc(CCC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)o1 ZINC000257288311 474934146 /nfs/dbraw/zinc/93/41/46/474934146.db2.gz PTSLSVNCAZHJHB-INIZCTEOSA-N 1 1 342.443 2.641 40 0 EFABMO O=C(N1CCCC1)[C@]1(c2cnccn2)CCC[N@H+]1C1CCCCC1 ZINC000257288941 474934620 /nfs/dbraw/zinc/93/46/20/474934620.db2.gz PWIPBROEAAUGQQ-LJQANCHMSA-N 1 1 328.460 2.723 40 0 EFABMO Cn1cncc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000257294817 474936076 /nfs/dbraw/zinc/93/60/76/474936076.db2.gz QVWGTDIDOYKBGN-CYBMUJFWSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1cncc1-c1cncc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257300762 474940236 /nfs/dbraw/zinc/94/02/36/474940236.db2.gz RVPCCTOOHPQWFG-INIZCTEOSA-N 1 1 334.427 2.652 40 0 EFABMO CC(=O)N(C)Cc1cncc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000257302494 474943973 /nfs/dbraw/zinc/94/39/73/474943973.db2.gz SDDMHKOJDZDSSN-LJQANCHMSA-N 1 1 342.418 2.931 40 0 EFABMO CC(=O)N(C)Cc1cncc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000257302494 474943978 /nfs/dbraw/zinc/94/39/78/474943978.db2.gz SDDMHKOJDZDSSN-LJQANCHMSA-N 1 1 342.418 2.931 40 0 EFABMO Cc1nc(CC(=O)N(C)[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)cs1 ZINC000257311846 474947734 /nfs/dbraw/zinc/94/77/34/474947734.db2.gz ULGWBMUIFJEGGA-MRXNPFEDSA-N 1 1 344.484 2.825 40 0 EFABMO C[N@H+]1CCN(Cc2ncc[nH]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257311735 474948129 /nfs/dbraw/zinc/94/81/29/474948129.db2.gz UKUBNRZSTKLCQQ-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO Cc1ncc(CNC(=O)Cc2cccc(F)c2)c([C@@H]2CCC[N@@H+]2C)n1 ZINC000257314039 474949438 /nfs/dbraw/zinc/94/94/38/474949438.db2.gz UVCQORSALYQSLU-KRWDZBQOSA-N 1 1 342.418 2.550 40 0 EFABMO c1c[nH]c(-c2nccnc2C2CC[NH+](Cc3cscn3)CC2)n1 ZINC000257321171 474952924 /nfs/dbraw/zinc/95/29/24/474952924.db2.gz WAKITGRQABKHPK-UHFFFAOYSA-N 1 1 326.429 2.703 40 0 EFABMO C[C@]1(COc2cccnc2)C[C@@H]2C[N@@H+](Cc3cncs3)CC[C@@H]2O1 ZINC000257320848 474953839 /nfs/dbraw/zinc/95/38/39/474953839.db2.gz VYVGOYYOECYOLD-FHLIZLRMSA-N 1 1 345.468 2.987 40 0 EFABMO C[N@@H+](CCC(=O)N1CCC[C@H](c2nccs2)C1)Cc1cccnc1 ZINC000257323280 474954168 /nfs/dbraw/zinc/95/41/68/474954168.db2.gz WJMIKVOOGZUDCY-INIZCTEOSA-N 1 1 344.484 2.766 40 0 EFABMO COc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccc(C)[nH+]3)C2)cn1 ZINC000257325332 474955053 /nfs/dbraw/zinc/95/50/53/474955053.db2.gz WSNSSYZAGFJNOC-INIZCTEOSA-N 1 1 340.427 2.535 40 0 EFABMO Cn1cc(C[N@@H+]2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)cn1 ZINC000257331389 474959683 /nfs/dbraw/zinc/95/96/83/474959683.db2.gz XSQJSDAAJVJUMQ-QYZOEREBSA-N 1 1 338.455 2.795 40 0 EFABMO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccnc(N3CCCC3)n2)C1 ZINC000257337590 474961459 /nfs/dbraw/zinc/96/14/59/474961459.db2.gz YTKTZGSCNXUISI-MRXNPFEDSA-N 1 1 340.475 2.563 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)c3)C2)cn1 ZINC000257338617 474963180 /nfs/dbraw/zinc/96/31/80/474963180.db2.gz YYEIZIVDHPUWSE-KRWDZBQOSA-N 1 1 349.442 2.728 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257340414 474963721 /nfs/dbraw/zinc/96/37/21/474963721.db2.gz ZFYRBTZHXNRJGJ-ZDUSSCGKSA-N 1 1 326.429 2.969 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257340414 474963726 /nfs/dbraw/zinc/96/37/26/474963726.db2.gz ZFYRBTZHXNRJGJ-ZDUSSCGKSA-N 1 1 326.429 2.969 40 0 EFABMO C[C@H](OC1CCCCCC1)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000333336234 475907929 /nfs/dbraw/zinc/90/79/29/475907929.db2.gz XDDZPCLLXYKNRY-MAUKXSAKSA-N 1 1 331.460 2.682 40 0 EFABMO COCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000390833302 476805239 /nfs/dbraw/zinc/80/52/39/476805239.db2.gz FUKBRGUGVVWCDB-RTBURBONSA-N 1 1 342.483 2.926 40 0 EFABMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000408573303 476968515 /nfs/dbraw/zinc/96/85/15/476968515.db2.gz AUYNCEMZPBQTJQ-KNTRCKAVSA-N 1 1 340.423 2.659 40 0 EFABMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Nc1ccccc1C(C)(F)F ZINC000455791157 477753039 /nfs/dbraw/zinc/75/30/39/477753039.db2.gz OLZKIOIWMBQTGV-IUODEOHRSA-N 1 1 341.402 2.717 40 0 EFABMO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3F)CCN2C(C)(C)C1 ZINC000514288738 479021362 /nfs/dbraw/zinc/02/13/62/479021362.db2.gz DIRHFRQFRFGCSQ-MRXNPFEDSA-N 1 1 347.478 2.702 40 0 biogenic,in-vitro EFABMO CCC[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288599 479021510 /nfs/dbraw/zinc/02/15/10/479021510.db2.gz FPUDQXNMIKSCQI-OCCSQVGLSA-N 1 1 328.334 2.633 40 0 biogenic,in-vitro EFABMO C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514290371 479022821 /nfs/dbraw/zinc/02/28/21/479022821.db2.gz YZRATQMUUIYGPZ-XYJFISCASA-N 1 1 348.443 2.813 40 0 biogenic,in-vitro EFABMO C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514290371 479022828 /nfs/dbraw/zinc/02/28/28/479022828.db2.gz YZRATQMUUIYGPZ-XYJFISCASA-N 1 1 348.443 2.813 40 0 biogenic,in-vitro EFABMO Cn1cc(C[N@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1 ZINC000585095066 479280116 /nfs/dbraw/zinc/28/01/16/479280116.db2.gz CMUINNUNDFRYFO-QGZVFWFLSA-N 1 1 328.460 2.670 40 0 EFABMO Cn1cc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)cn1 ZINC000585095066 479280119 /nfs/dbraw/zinc/28/01/19/479280119.db2.gz CMUINNUNDFRYFO-QGZVFWFLSA-N 1 1 328.460 2.670 40 0 EFABMO C[C@H]1c2nnc(COc3ccccn3)n2CC[N@H+]1CC1CCCC1 ZINC000585097382 479280558 /nfs/dbraw/zinc/28/05/58/479280558.db2.gz KNNJVWJWTDBGBP-AWEZNQCLSA-N 1 1 327.432 2.819 40 0 EFABMO C[C@H]1c2nnc(COc3ccccn3)n2CC[N@@H+]1CC1CCCC1 ZINC000585097382 479280566 /nfs/dbraw/zinc/28/05/66/479280566.db2.gz KNNJVWJWTDBGBP-AWEZNQCLSA-N 1 1 327.432 2.819 40 0 EFABMO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3C)CC2)nc2ccccn12 ZINC000585100741 479282767 /nfs/dbraw/zinc/28/27/67/479282767.db2.gz VCFKWYFVSOMCOZ-LJQANCHMSA-N 1 1 326.444 2.620 40 0 EFABMO CC[N@@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1O)CC2 ZINC000585103005 479284640 /nfs/dbraw/zinc/28/46/40/479284640.db2.gz BAJJCAHTEODVBK-MRXNPFEDSA-N 1 1 346.471 2.664 40 0 EFABMO CC[N@@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103086 479284948 /nfs/dbraw/zinc/28/49/48/479284948.db2.gz CPOUTDGAUIOLLG-GOSISDBHSA-N 1 1 330.472 2.958 40 0 EFABMO Cc1ccccc1C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC(C)C)C2)C1 ZINC000585104360 479285944 /nfs/dbraw/zinc/28/59/44/479285944.db2.gz LCMDMFXSHBOPAJ-FQEVSTJZSA-N 1 1 330.472 2.702 40 0 EFABMO Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](C[N@@H+]2CCC(C)C)C1 ZINC000585107916 479286978 /nfs/dbraw/zinc/28/69/78/479286978.db2.gz FOHHLIJOUQITCQ-IAGOWNOFSA-N 1 1 336.501 2.736 40 0 EFABMO Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)c4ccccc4C)C[C@H]3C2)cs1 ZINC000585107607 479287418 /nfs/dbraw/zinc/28/74/18/479287418.db2.gz QUQORQJXSIRDMY-IYBDPMFKSA-N 1 1 341.480 2.964 40 0 EFABMO Cc1nc(C[N@@H+]2C[C@H]3CN(C(=O)c4ccccc4C)C[C@H]3C2)cs1 ZINC000585107607 479287428 /nfs/dbraw/zinc/28/74/28/479287428.db2.gz QUQORQJXSIRDMY-IYBDPMFKSA-N 1 1 341.480 2.964 40 0 EFABMO CC[C@@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109731 479287551 /nfs/dbraw/zinc/28/75/51/479287551.db2.gz MJGBJUAWEMFZMO-MMYVSLSJSA-N 1 1 342.483 2.690 40 0 EFABMO COc1ncc(C[N@H+]2CC[C@@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cn1 ZINC000585269434 479303183 /nfs/dbraw/zinc/30/31/83/479303183.db2.gz UGLTVECHCZCDOO-NVXWUHKLSA-N 1 1 347.846 2.564 40 0 EFABMO Cc1ncsc1C[N@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000585261149 479303262 /nfs/dbraw/zinc/30/32/62/479303262.db2.gz STPKGCAGHRVTHY-OAHLLOKOSA-N 1 1 342.468 2.790 40 0 EFABMO CCn1cncc1C[N@@H+]1CCC[C@](O)(COc2cccc(C)c2)C1 ZINC000585275839 479304921 /nfs/dbraw/zinc/30/49/21/479304921.db2.gz FWEZZLVRBQYTPW-LJQANCHMSA-N 1 1 329.444 2.617 40 0 EFABMO CCn1cncc1C[N@H+]1CCC[C@](O)(COc2cccc(C)c2)C1 ZINC000585275839 479304928 /nfs/dbraw/zinc/30/49/28/479304928.db2.gz FWEZZLVRBQYTPW-LJQANCHMSA-N 1 1 329.444 2.617 40 0 EFABMO CCn1nc(C)c(C[N@H+]2CC[C@](O)(COc3cccc(F)c3)C2)c1C ZINC000585273392 479305122 /nfs/dbraw/zinc/30/51/22/479305122.db2.gz ULHQOSFCCZTBFY-LJQANCHMSA-N 1 1 347.434 2.675 40 0 EFABMO CCc1ncc(C[N@@H+]2CCC[C@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585275871 479305316 /nfs/dbraw/zinc/30/53/16/479305316.db2.gz GATBPRKKGNIESM-HXUWFJFHSA-N 1 1 341.455 2.753 40 0 EFABMO CCc1ncc(C[N@H+]2CCC[C@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585275871 479305324 /nfs/dbraw/zinc/30/53/24/479305324.db2.gz GATBPRKKGNIESM-HXUWFJFHSA-N 1 1 341.455 2.753 40 0 EFABMO CN(C)C(=O)CC[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585278652 479307594 /nfs/dbraw/zinc/30/75/94/479307594.db2.gz PTSNYABOYRNFCP-KRWDZBQOSA-N 1 1 342.842 2.674 40 0 EFABMO CN(C)C(=O)CC[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000585278652 479307597 /nfs/dbraw/zinc/30/75/97/479307597.db2.gz PTSNYABOYRNFCP-KRWDZBQOSA-N 1 1 342.842 2.674 40 0 EFABMO CC(C)[NH+]1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585284432 479308074 /nfs/dbraw/zinc/30/80/74/479308074.db2.gz IKZJHUWMUVUTPR-IPMKNSEASA-N 1 1 336.451 2.513 40 0 EFABMO O[C@]1(COc2ccc(F)c(F)c2)COCC[N@H+](C2CCCCC2)C1 ZINC000585281127 479308090 /nfs/dbraw/zinc/30/80/90/479308090.db2.gz FFRLDMJNUJRECI-SFHVURJKSA-N 1 1 341.398 2.740 40 0 EFABMO Cc1cc(OC[C@@]2(O)C[N@H+](C3CCCCC3)CC[C@@H]2O)ccc1F ZINC000585283642 479308273 /nfs/dbraw/zinc/30/82/73/479308273.db2.gz SUDILHCFSCPMFP-OALUTQOASA-N 1 1 337.435 2.643 40 0 EFABMO O[C@]1(COc2ccc(F)c(Cl)c2)COCC[N@H+](C2CCCC2)C1 ZINC000585281773 479308360 /nfs/dbraw/zinc/30/83/60/479308360.db2.gz APLFVKRCCBRCQI-KRWDZBQOSA-N 1 1 343.826 2.864 40 0 EFABMO CNC(=O)[C@]1(C)CCC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585285361 479309861 /nfs/dbraw/zinc/30/98/61/479309861.db2.gz XYBGETDCYJOAOD-NRSPTQNISA-N 1 1 344.499 2.923 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@H+]1Cc1ccnc2ccccc12 ZINC000585293367 479310612 /nfs/dbraw/zinc/31/06/12/479310612.db2.gz VPZGUJIENIAZLN-HMXCVIKNSA-N 1 1 334.419 2.556 40 0 EFABMO Cc1nnsc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289679 479310685 /nfs/dbraw/zinc/31/06/85/479310685.db2.gz UXLFFFIEMLXLRW-LZLYRXPVSA-N 1 1 347.484 2.948 40 0 EFABMO Cc1nnsc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289679 479310690 /nfs/dbraw/zinc/31/06/90/479310690.db2.gz UXLFFFIEMLXLRW-LZLYRXPVSA-N 1 1 347.484 2.948 40 0 EFABMO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000187691450 528925608 /nfs/dbraw/zinc/92/56/08/528925608.db2.gz PLGWSVIIVIIJBP-LSDHHAIUSA-N 1 1 325.474 2.900 40 0 EFABMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000187691450 528925614 /nfs/dbraw/zinc/92/56/14/528925614.db2.gz PLGWSVIIVIIJBP-LSDHHAIUSA-N 1 1 325.474 2.900 40 0 EFABMO CNC(=O)Cc1noc(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000242302261 536305268 /nfs/dbraw/zinc/30/52/68/536305268.db2.gz YQWHMRYUGJKCRW-OAHLLOKOSA-N 1 1 342.443 2.552 40 0 EFABMO CN1C(=O)CCC[C@@H]2C[N@H+](CCCOc3ccccc3F)CC[C@H]21 ZINC000257266110 536306910 /nfs/dbraw/zinc/30/69/10/536306910.db2.gz MBPZXQZOKQIUDG-NVXWUHKLSA-N 1 1 334.435 2.927 40 0 EFABMO CN(C)C(=O)c1cnc(NC[C@H]2CCCn3cc[nH+]c32)c(Cl)c1 ZINC000676565678 548498773 /nfs/dbraw/zinc/49/87/73/548498773.db2.gz GKNLJNKIAQYFOP-LLVKDONJSA-N 1 1 333.823 2.623 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595868 1249167275 /nfs/dbraw/zinc/16/72/75/1249167275.db2.gz PKSYFZBTYFLDFX-DYXWJJEUSA-N 1 1 348.446 2.883 40 0 EFABMO CCn1ncnc1CNc1[nH]c2cc(Br)c(F)cc2[nH+]1 ZINC000902691054 1312022883 /nfs/dbraw/zinc/02/28/83/1312022883.db2.gz DJJLLONOCKRVBV-UHFFFAOYSA-N 1 1 339.172 2.688 40 0 EFABMO CCc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1 ZINC000104488056 722012608 /nfs/dbraw/zinc/01/26/08/722012608.db2.gz RLWIFUPNIAYBOS-UHFFFAOYSA-N 1 1 337.471 2.927 40 0 EFABMO c1cncc(-c2nc(CC[C@H]3CCC[N@H+](C4CCOCC4)C3)no2)c1 ZINC000675024433 1099682273 /nfs/dbraw/zinc/68/22/73/1099682273.db2.gz GZLUHILNDRHHPC-OAHLLOKOSA-N 1 1 342.443 2.955 40 0 EFABMO Cc1ncsc1C[N@@H+]1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000097953507 219063908 /nfs/dbraw/zinc/06/39/08/219063908.db2.gz LRYJCRAMEBDRJN-DAYGRLMNSA-N 1 1 344.484 2.938 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]2O1 ZINC000097953807 219064573 /nfs/dbraw/zinc/06/45/73/219064573.db2.gz ALRQYZZNVUXDRB-IAOVAPTHSA-N 1 1 343.452 2.761 40 0 EFABMO Cc1[nH+]ccn1CCCN1C(=O)N[C@@](C)(c2ccc(C)cc2C)C1=O ZINC000096490082 282204572 /nfs/dbraw/zinc/20/45/72/282204572.db2.gz DGCDUXNPHXGTRU-IBGZPJMESA-N 1 1 340.427 2.666 40 0 EFABMO C[N@H+]1CCCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000098079106 219080277 /nfs/dbraw/zinc/08/02/77/219080277.db2.gz TXKCWCNSBCSLFF-UHFFFAOYSA-N 1 1 334.423 2.803 40 0 EFABMO CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccccc3F)C2=O)cc1 ZINC000100594336 219103019 /nfs/dbraw/zinc/10/30/19/219103019.db2.gz SXNDTBMRJSRBQX-KRWDZBQOSA-N 1 1 342.370 2.646 40 0 EFABMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000004279507 210160279 /nfs/dbraw/zinc/16/02/79/210160279.db2.gz XOOKMKTWIXOUPA-JSGCOSHPSA-N 1 1 328.250 2.921 40 0 EFABMO COC(=O)[C@@H]1C[C@]23CCC[N@H+]4CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 ZINC000003786417 210075225 /nfs/dbraw/zinc/07/52/25/210075225.db2.gz IYLRRIUNGGQRTN-KJRRRBQDSA-N 1 1 338.451 2.930 40 0 biogenic,in-vitro EFABMO CC[N@H+]1CC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000003635095 210068660 /nfs/dbraw/zinc/06/86/60/210068660.db2.gz LINSZIYEKJQFMG-GOSISDBHSA-N 1 1 325.408 2.560 40 0 in-vitro EFABMO O=C(Nc1ccc2nncn2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000179628446 233254327 /nfs/dbraw/zinc/25/43/27/233254327.db2.gz BOEDAPMTJQUYTO-INIZCTEOSA-N 1 1 335.411 2.580 40 0 EFABMO Cn1cc[nH+]c1N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000012444533 282747128 /nfs/dbraw/zinc/74/71/28/282747128.db2.gz BESOTIDSGQFJFX-UHFFFAOYSA-N 1 1 342.487 2.675 40 0 EFABMO CCN1CC[NH+](Cc2ccc(CNC(=O)CCC(C)C)cc2)CC1 ZINC000040115275 213268631 /nfs/dbraw/zinc/26/86/31/213268631.db2.gz CNAFBEXFRXBWOE-UHFFFAOYSA-N 1 1 331.504 2.877 40 0 EFABMO CN1CC[NH+](Cc2ccc(NC(=O)c3cccc(F)c3)cc2)CC1 ZINC000040089748 213261724 /nfs/dbraw/zinc/26/17/24/213261724.db2.gz JLMSUJXNEVMFKR-UHFFFAOYSA-N 1 1 327.403 2.825 40 0 EFABMO Oc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)cc1 ZINC000036740086 213114525 /nfs/dbraw/zinc/11/45/25/213114525.db2.gz NYMVPJYCHDXHOF-UHFFFAOYSA-N 1 1 341.455 2.512 40 0 EFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cc(C)ccc4o3)C2)CC1 ZINC000035446525 213029289 /nfs/dbraw/zinc/02/92/89/213029289.db2.gz UCGUIIUUKGUZRY-HNNXBMFYSA-N 1 1 327.428 2.936 40 0 biogenic,in-vitro EFABMO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000035189290 213013549 /nfs/dbraw/zinc/01/35/49/213013549.db2.gz IZWKBHMVRKCCRM-DTXAGUPXSA-N 1 1 327.509 2.934 40 0 EFABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355422 216164964 /nfs/dbraw/zinc/16/49/64/216164964.db2.gz DPSMOCSTKPTINE-MRXNPFEDSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072360343 216166496 /nfs/dbraw/zinc/16/64/96/216166496.db2.gz VGWPBDTURWUSAR-KRWDZBQOSA-N 1 1 349.442 2.994 40 0 EFABMO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072360343 216166499 /nfs/dbraw/zinc/16/64/99/216166499.db2.gz VGWPBDTURWUSAR-KRWDZBQOSA-N 1 1 349.442 2.994 40 0 EFABMO Cc1ccsc1C[N@H+]1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1 ZINC000072339848 216156935 /nfs/dbraw/zinc/15/69/35/216156935.db2.gz CEFGMRJGCXYCRI-UHFFFAOYSA-N 1 1 338.436 2.760 40 0 EFABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1cccc(O)c1)CC2 ZINC000072339840 216158181 /nfs/dbraw/zinc/15/81/81/216158181.db2.gz SMPMRPPSJBXSBW-UHFFFAOYSA-N 1 1 334.379 2.508 40 0 EFABMO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350564 216161658 /nfs/dbraw/zinc/16/16/58/216161658.db2.gz LSIKAEWBUTWBDU-MRXNPFEDSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@H+](Cc3ccnn3C)C2)n1 ZINC000072353677 216162174 /nfs/dbraw/zinc/16/21/74/216162174.db2.gz DWWWKJKISCLECO-MRXNPFEDSA-N 1 1 348.454 2.960 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355435 216163844 /nfs/dbraw/zinc/16/38/44/216163844.db2.gz ODWUFHNZWHXGQD-QGZVFWFLSA-N 1 1 348.454 2.999 40 0 EFABMO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365923 216171792 /nfs/dbraw/zinc/17/17/92/216171792.db2.gz GRSRQKLZASBSIE-HNNXBMFYSA-N 1 1 342.418 2.663 40 0 EFABMO NC(=O)CCc1cccc([C@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000072360824 216167870 /nfs/dbraw/zinc/16/78/70/216167870.db2.gz OJCHSVWETBMLQX-GOSISDBHSA-N 1 1 327.403 2.976 40 0 EFABMO NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072367501 216175045 /nfs/dbraw/zinc/17/50/45/216175045.db2.gz ZNAKGTUKYZTGPC-KRWDZBQOSA-N 1 1 329.831 2.948 40 0 EFABMO NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072367501 216175047 /nfs/dbraw/zinc/17/50/47/216175047.db2.gz ZNAKGTUKYZTGPC-KRWDZBQOSA-N 1 1 329.831 2.948 40 0 EFABMO Cc1nccc(C2(C)CCN(C(=O)[C@@]3(C)CCCC[N@@H+]3C)CC2)n1 ZINC000072367339 216175154 /nfs/dbraw/zinc/17/51/54/216175154.db2.gz BFSHSFWPKRWPTD-LJQANCHMSA-N 1 1 330.476 2.540 40 0 EFABMO Cc1cc(CCC(=O)Nc2cn[nH]c2)nc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366857 216173399 /nfs/dbraw/zinc/17/33/99/216173399.db2.gz NCBDGSLFXYVIEC-INIZCTEOSA-N 1 1 342.447 2.625 40 0 EFABMO c1cncc(C[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)c1 ZINC000072377645 216178811 /nfs/dbraw/zinc/17/88/11/216178811.db2.gz ICBOTLZQBXJAKQ-INIZCTEOSA-N 1 1 347.426 2.785 40 0 EFABMO COCCNc1cc([C@H]2CC[N@H+]2CCc2ccccc2)nc(C)n1 ZINC000072387526 216186222 /nfs/dbraw/zinc/18/62/22/216186222.db2.gz IPAAEZFEXUDHHG-GOSISDBHSA-N 1 1 326.444 2.833 40 0 EFABMO Oc1cccc([C@@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190283875 238358257 /nfs/dbraw/zinc/35/82/57/238358257.db2.gz CLJFFXGASRBAJM-SFHVURJKSA-N 1 1 333.428 2.699 40 0 EFABMO CCN1CC[NH+](CCC(=O)NC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000073309102 216376410 /nfs/dbraw/zinc/37/64/10/216376410.db2.gz BHVNZKMAUFNESQ-UHFFFAOYSA-N 1 1 337.895 2.719 40 0 EFABMO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC[NH+](Cc2cccs2)CC1 ZINC000023262947 212364672 /nfs/dbraw/zinc/36/46/72/212364672.db2.gz KUELSIJGJBHQBS-JFIYKMOQSA-N 1 1 349.544 2.949 40 0 EFABMO O=C(Nc1cccnc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000023200150 212359729 /nfs/dbraw/zinc/35/97/29/212359729.db2.gz DAHLDCKCHGXNKY-UHFFFAOYSA-N 1 1 328.391 2.961 40 0 EFABMO O=C(Nc1cccnc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000023200150 212359733 /nfs/dbraw/zinc/35/97/33/212359733.db2.gz DAHLDCKCHGXNKY-UHFFFAOYSA-N 1 1 328.391 2.961 40 0 EFABMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4ccco4)cc3s2)CC1 ZINC000023135823 212353889 /nfs/dbraw/zinc/35/38/89/212353889.db2.gz QCHLTGSYCGCDNI-UHFFFAOYSA-N 1 1 342.424 2.893 40 0 EFABMO C[C@@H](NC(=O)CN1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000022784120 212324025 /nfs/dbraw/zinc/32/40/25/212324025.db2.gz WGFPPEKFPRKEAF-MRXNPFEDSA-N 1 1 343.496 2.743 40 0 EFABMO O=C(NCc1cccs1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022437103 212297030 /nfs/dbraw/zinc/29/70/30/212297030.db2.gz CXNRBHFGNIAUAZ-UHFFFAOYSA-N 1 1 345.468 2.580 40 0 EFABMO COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC000195549402 241000301 /nfs/dbraw/zinc/00/03/01/241000301.db2.gz GXESMGQYKJWSJG-DZGCQCFKSA-N 1 1 330.384 2.984 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000216398487 241188047 /nfs/dbraw/zinc/18/80/47/241188047.db2.gz JIJBCPBTXIGVIT-UHFFFAOYSA-N 1 1 341.436 2.968 40 0 EFABMO COC[C@@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218481004 241327046 /nfs/dbraw/zinc/32/70/46/241327046.db2.gz KGAPFJODYSNZGE-GBESFXJTSA-N 1 1 345.464 2.587 40 0 EFABMO C[C@@H](C(=O)NC1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822302 212254403 /nfs/dbraw/zinc/25/44/03/212254403.db2.gz FKFYCVUVISLQNP-KRWDZBQOSA-N 1 1 329.488 2.642 40 0 EFABMO C[NH+](C)[C@H](CNC(=O)[C@@]1(C)CC(c2cccs2)=NO1)c1ccco1 ZINC000226749553 242113756 /nfs/dbraw/zinc/11/37/56/242113756.db2.gz YDUGHNFRXLYYEF-CXAGYDPISA-N 1 1 347.440 2.643 40 0 EFABMO Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3ncco3)CC2)cc1 ZINC000241930381 243005446 /nfs/dbraw/zinc/00/54/46/243005446.db2.gz UIBLSGBEGBLXAX-UHFFFAOYSA-N 1 1 345.468 2.810 40 0 EFABMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCOC3)cc2)C1 ZINC000245343960 243104552 /nfs/dbraw/zinc/10/45/52/243104552.db2.gz WQABZQZPXXKHAJ-HOTGVXAUSA-N 1 1 332.444 2.772 40 0 EFABMO C[N@@H+]1CC[C@H](NC(=O)C2(O)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000245601020 243135186 /nfs/dbraw/zinc/13/51/86/243135186.db2.gz VKRHWYHFCNXOQK-JKSUJKDBSA-N 1 1 336.863 2.897 40 0 EFABMO C[N@H+]1CC[C@H](NC(=O)C2(O)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000245601020 243135193 /nfs/dbraw/zinc/13/51/93/243135193.db2.gz VKRHWYHFCNXOQK-JKSUJKDBSA-N 1 1 336.863 2.897 40 0 EFABMO c1cc2n(c1)C[C@@H](Oc1cccnc1)C[N@H+](CC1CCOCC1)C2 ZINC000253588732 244025793 /nfs/dbraw/zinc/02/57/93/244025793.db2.gz QCWLEARSAIQIRU-IBGZPJMESA-N 1 1 327.428 2.573 40 0 EFABMO Cc1ccsc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)C)CO2 ZINC000253599935 244032745 /nfs/dbraw/zinc/03/27/45/244032745.db2.gz YHTQDVDOSIFLLY-OAHLLOKOSA-N 1 1 336.501 2.810 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000253603156 244034616 /nfs/dbraw/zinc/03/46/16/244034616.db2.gz BNZWGNPSEMERGT-LJHODMEESA-N 1 1 332.444 2.565 40 0 EFABMO C(=C\c1ccccc1)\C[NH+]1CCN(Cn2nnc3ccccc32)CC1 ZINC000020459174 212132614 /nfs/dbraw/zinc/13/26/14/212132614.db2.gz YUFBJFHNKTXIRY-TWGQIWQCSA-N 1 1 333.439 2.720 40 0 EFABMO CCCn1cc(CN2CCO[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cn1 ZINC000257199748 244115729 /nfs/dbraw/zinc/11/57/29/244115729.db2.gz AARKTOCYAHTAOI-IBGZPJMESA-N 1 1 343.475 2.636 40 0 EFABMO C[N@H+]1CCN(Cc2cc[nH]n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257217577 244174783 /nfs/dbraw/zinc/17/47/83/244174783.db2.gz CZOFTVGFBCCRHA-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO NC(=O)CCc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000257210374 244147866 /nfs/dbraw/zinc/14/78/66/244147866.db2.gz BUIQKFIIAVPVGI-SFHVURJKSA-N 1 1 327.403 2.976 40 0 EFABMO Cc1cc(-c2nccn2C)nc([C@H]2CC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257211195 244150007 /nfs/dbraw/zinc/15/00/07/244150007.db2.gz BXWAXMIICHGLME-INIZCTEOSA-N 1 1 334.427 2.570 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2ccnn2C(C)C)C1 ZINC000257212502 244154448 /nfs/dbraw/zinc/15/44/48/244154448.db2.gz CDSJSJRLMWENSN-OAHLLOKOSA-N 1 1 329.448 2.747 40 0 EFABMO CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000257216545 244169643 /nfs/dbraw/zinc/16/96/43/244169643.db2.gz CUZKDWMZJXQNQO-XKGZKEIXSA-N 1 1 342.439 2.627 40 0 EFABMO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257222855 244192172 /nfs/dbraw/zinc/19/21/72/244192172.db2.gz DUXKFEORDBMEAT-HXUWFJFHSA-N 1 1 349.438 2.931 40 0 EFABMO Cc1nccc(C[C@H]2CCC[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]32)n1 ZINC000257226164 244201507 /nfs/dbraw/zinc/20/15/07/244201507.db2.gz FJKHURSXCXPHRR-ZHALLVOQSA-N 1 1 325.460 2.609 40 0 EFABMO Cc1cnccc1C[N@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257231454 244212335 /nfs/dbraw/zinc/21/23/35/244212335.db2.gz GGTSFUMZKAJSRB-KRWDZBQOSA-N 1 1 336.439 2.729 40 0 EFABMO c1csc(C[N@@H+]2CCC[C@@H]2c2cncc(CN3CCOCC3)n2)c1 ZINC000257231208 244213295 /nfs/dbraw/zinc/21/32/95/244213295.db2.gz GFUIIKMPIBKBOX-GOSISDBHSA-N 1 1 344.484 2.707 40 0 EFABMO Cn1cc(C[N@H+]2CCCC[C@H]2c2ccc(-c3cnn(C)c3)nc2)cn1 ZINC000257230737 244214779 /nfs/dbraw/zinc/21/47/79/244214779.db2.gz GDRQZHOLAHIDIU-IBGZPJMESA-N 1 1 336.443 2.943 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)cc1CO ZINC000257221536 244184631 /nfs/dbraw/zinc/18/46/31/244184631.db2.gz DPMIWJCHCQIHNU-HNNXBMFYSA-N 1 1 329.444 2.755 40 0 EFABMO CCOc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cc1CO ZINC000257221536 244184637 /nfs/dbraw/zinc/18/46/37/244184637.db2.gz DPMIWJCHCQIHNU-HNNXBMFYSA-N 1 1 329.444 2.755 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@@H](Cc3ccn[nH]3)C2)cc1CO ZINC000257221536 244184643 /nfs/dbraw/zinc/18/46/43/244184643.db2.gz DPMIWJCHCQIHNU-HNNXBMFYSA-N 1 1 329.444 2.755 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1C[C@@H]2CC[C@H](Oc3ccccc3)[C@@H]2C1 ZINC000257242916 244248423 /nfs/dbraw/zinc/24/84/23/244248423.db2.gz IESJQLOLSDLTCK-JQHSSLGASA-N 1 1 339.439 2.762 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](CC3CCOCC3)C2)n1 ZINC000257244754 244253087 /nfs/dbraw/zinc/25/30/87/244253087.db2.gz IMQCNTPAWKQIOZ-MRXNPFEDSA-N 1 1 341.459 2.781 40 0 EFABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)nc(C)n1 ZINC000257231846 244217570 /nfs/dbraw/zinc/21/75/70/244217570.db2.gz GIJMAMMODICKCM-GOSISDBHSA-N 1 1 342.443 2.535 40 0 EFABMO CCn1nc(C)c(C[N@@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)c1C ZINC000257233424 244219923 /nfs/dbraw/zinc/21/99/23/244219923.db2.gz GPFFDVUQOGFHFD-FQEVSTJZSA-N 1 1 340.471 2.925 40 0 EFABMO CCn1nc(C)c(C[N@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)c1C ZINC000257233424 244219926 /nfs/dbraw/zinc/21/99/26/244219926.db2.gz GPFFDVUQOGFHFD-FQEVSTJZSA-N 1 1 340.471 2.925 40 0 EFABMO Cc1cccnc1CN1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257235236 244226135 /nfs/dbraw/zinc/22/61/35/244226135.db2.gz GWZWCDSIAMLVKH-SFHVURJKSA-N 1 1 340.471 2.685 40 0 EFABMO Cn1cncc1-c1cncc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257236391 244229284 /nfs/dbraw/zinc/22/92/84/244229284.db2.gz HBYUHUJKPBQGMS-ZDUSSCGKSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1cncc1-c1cncc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257236391 244229287 /nfs/dbraw/zinc/22/92/87/244229287.db2.gz HBYUHUJKPBQGMS-ZDUSSCGKSA-N 1 1 340.456 2.713 40 0 EFABMO c1nc(C[NH+]2CCC(c3ccnc(Nc4ncccn4)c3)CC2)c[nH]1 ZINC000257249009 244264235 /nfs/dbraw/zinc/26/42/35/244264235.db2.gz JGHHRMRVUBQYES-UHFFFAOYSA-N 1 1 335.415 2.718 40 0 EFABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257249262 244265724 /nfs/dbraw/zinc/26/57/24/244265724.db2.gz JHMYVFMYCBMQQB-CQSZACIVSA-N 1 1 340.456 2.807 40 0 EFABMO Cc1nc([C@H]2CCCC[NH2+]2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000257249218 244266041 /nfs/dbraw/zinc/26/60/41/244266041.db2.gz JHHYSVFNMXGUFA-QGZVFWFLSA-N 1 1 336.439 2.731 40 0 EFABMO Cc1cccnc1C(=O)N1CCC[C@@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257249835 244266412 /nfs/dbraw/zinc/26/64/12/244266412.db2.gz JJYLXKHKTRHDPZ-MRXNPFEDSA-N 1 1 339.443 2.527 40 0 EFABMO c1cc(C[N@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)c3)C2)n[nH]1 ZINC000257254393 244278676 /nfs/dbraw/zinc/27/86/76/244278676.db2.gz KCWFEEICINFKGW-HNNXBMFYSA-N 1 1 335.415 2.718 40 0 EFABMO Cc1c[nH]c(-c2cncc(C[C@@H]3CC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257266394 244363309 /nfs/dbraw/zinc/36/33/09/244363309.db2.gz MCVFXAVEFZOOAX-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257270328 244373203 /nfs/dbraw/zinc/37/32/03/244373203.db2.gz MTTGXBARHUWZJF-MRXNPFEDSA-N 1 1 325.412 2.936 40 0 EFABMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257270327 244374452 /nfs/dbraw/zinc/37/44/52/244374452.db2.gz MTTGXBARHUWZJF-INIZCTEOSA-N 1 1 325.412 2.936 40 0 EFABMO Cc1cncc(C[N@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)c1 ZINC000257261100 244347581 /nfs/dbraw/zinc/34/75/81/244347581.db2.gz LFSBJDNQYNSQCC-SFHVURJKSA-N 1 1 336.439 2.729 40 0 EFABMO Cc1cccc(N2CCC[C@@H](N(C)C(=O)CCc3cccnc3)C2)[nH+]1 ZINC000257262228 244349287 /nfs/dbraw/zinc/34/92/87/244349287.db2.gz LKQYWMWAPFYVQK-GOSISDBHSA-N 1 1 338.455 2.845 40 0 EFABMO NC(=O)[C@]1(CCCc2ccccn2)CCC[N@@H+](Cc2ccccn2)C1 ZINC000257265021 244358051 /nfs/dbraw/zinc/35/80/51/244358051.db2.gz LWYTYQRXSOZCMB-HXUWFJFHSA-N 1 1 338.455 2.567 40 0 EFABMO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257272989 244381835 /nfs/dbraw/zinc/38/18/35/244381835.db2.gz NEUZQYZXMUAZPL-FQEVSTJZSA-N 1 1 349.438 2.931 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)cc1CO ZINC000257273604 244386660 /nfs/dbraw/zinc/38/66/60/244386660.db2.gz NHJAJXXFUUUMAJ-MRXNPFEDSA-N 1 1 327.428 2.747 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257274177 244389307 /nfs/dbraw/zinc/38/93/07/244389307.db2.gz NJWKJZBQNWMLNL-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO Fc1ccc(C[N@@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)nc1 ZINC000257275433 244390962 /nfs/dbraw/zinc/39/09/62/244390962.db2.gz NPJYGSVAZKHCHO-OAHLLOKOSA-N 1 1 340.402 2.560 40 0 EFABMO Fc1ccc(C[N@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)nc1 ZINC000257275433 244390966 /nfs/dbraw/zinc/39/09/66/244390966.db2.gz NPJYGSVAZKHCHO-OAHLLOKOSA-N 1 1 340.402 2.560 40 0 EFABMO Cn1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCC[N@H+]3C)n1 ZINC000257277919 244398426 /nfs/dbraw/zinc/39/84/26/244398426.db2.gz OABCOAMTAKXMPH-GBESFXJTSA-N 1 1 338.455 2.860 40 0 EFABMO Cn1nc2c(c1C(=O)N1CCC([C@H]3CCCC[N@H+]3C)CC1)CCCC2 ZINC000019747008 212061522 /nfs/dbraw/zinc/06/15/22/212061522.db2.gz PNPUFNPCHCSIEJ-GOSISDBHSA-N 1 1 344.503 2.635 40 0 EFABMO Cc1ccccc1OC1CC[NH+](CC(=O)NCc2ccccn2)CC1 ZINC000019656716 212053030 /nfs/dbraw/zinc/05/30/30/212053030.db2.gz JJPWOYRKISCSQW-UHFFFAOYSA-N 1 1 339.439 2.550 40 0 EFABMO C[N@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019588548 212049325 /nfs/dbraw/zinc/04/93/25/212049325.db2.gz BXYSHAVMXAXDPP-MRXNPFEDSA-N 1 1 342.487 2.751 40 0 EFABMO C[C@]12C[N@H+](Cc3cccs3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576485 212045540 /nfs/dbraw/zinc/04/55/40/212045540.db2.gz RLGKPWZULGVCFJ-QAPCUYQASA-N 1 1 326.421 2.565 40 0 EFABMO C[C@]12C[N@@H+](Cc3cccs3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576485 212045543 /nfs/dbraw/zinc/04/55/43/212045543.db2.gz RLGKPWZULGVCFJ-QAPCUYQASA-N 1 1 326.421 2.565 40 0 EFABMO COc1cccc(C[N@H+]2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)c1 ZINC000019555394 212040581 /nfs/dbraw/zinc/04/05/81/212040581.db2.gz YZOYXAIZQVCKSL-INIZCTEOSA-N 1 1 327.428 2.775 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019554935 212041663 /nfs/dbraw/zinc/04/16/63/212041663.db2.gz UZOCJEHNEOCOMC-AWEZNQCLSA-N 1 1 337.383 2.525 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019554932 212041674 /nfs/dbraw/zinc/04/16/74/212041674.db2.gz UZOCJEHNEOCOMC-CQSZACIVSA-N 1 1 337.383 2.525 40 0 EFABMO COc1ccc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc1 ZINC000019453763 212028539 /nfs/dbraw/zinc/02/85/39/212028539.db2.gz NZDUGHDEQOOGLP-UHFFFAOYSA-N 1 1 327.428 2.503 40 0 EFABMO C[C@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019457348 212030125 /nfs/dbraw/zinc/03/01/25/212030125.db2.gz NDUUCVHGSTZLEH-RHSMWYFYSA-N 1 1 346.862 2.688 40 0 EFABMO C[C@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019457348 212030127 /nfs/dbraw/zinc/03/01/27/212030127.db2.gz NDUUCVHGSTZLEH-RHSMWYFYSA-N 1 1 346.862 2.688 40 0 EFABMO O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000019374800 212024811 /nfs/dbraw/zinc/02/48/11/212024811.db2.gz LSRFQANUOPYWGL-HXUWFJFHSA-N 1 1 340.398 2.983 40 0 EFABMO OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1 ZINC000019405148 212026068 /nfs/dbraw/zinc/02/60/68/212026068.db2.gz AORNWPYYYOKQFM-PMSBKCLSSA-N 1 1 348.450 2.989 40 0 EFABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000019371533 212022744 /nfs/dbraw/zinc/02/27/44/212022744.db2.gz QRBPCQYNGSKXSD-UHFFFAOYSA-N 1 1 349.478 2.932 40 0 EFABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)no1)N1CCCC1 ZINC000019339074 212018399 /nfs/dbraw/zinc/01/83/99/212018399.db2.gz HMHIFGGQVUETPY-MRXNPFEDSA-N 1 1 340.427 2.685 40 0 EFABMO Cc1nnc(C2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)s1 ZINC000049365666 214002374 /nfs/dbraw/zinc/00/23/74/214002374.db2.gz NRPZLJTYOMOTMM-UHFFFAOYSA-N 1 1 342.468 2.615 40 0 EFABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[nH]1 ZINC000019285271 212010215 /nfs/dbraw/zinc/01/02/15/212010215.db2.gz RNARUPPGFFIUQF-MRXNPFEDSA-N 1 1 338.455 2.668 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)s1 ZINC000019217238 212005641 /nfs/dbraw/zinc/00/56/41/212005641.db2.gz FKGYVDQSGKHGKM-UHFFFAOYSA-N 1 1 338.436 2.760 40 0 EFABMO Cc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc1 ZINC000019210393 212004553 /nfs/dbraw/zinc/00/45/53/212004553.db2.gz XUKQBDGSRNKRIX-FDFHNCONSA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1 ZINC000019210393 212004554 /nfs/dbraw/zinc/00/45/54/212004554.db2.gz XUKQBDGSRNKRIX-FDFHNCONSA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1 ZINC000019210393 212004555 /nfs/dbraw/zinc/00/45/55/212004555.db2.gz XUKQBDGSRNKRIX-FDFHNCONSA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccc(-c2cc(C[C@]3(C(=O)N(C)C)CCC[N@@H+](C)C3)on2)cc1 ZINC000019212264 212003990 /nfs/dbraw/zinc/00/39/90/212003990.db2.gz LMHQLQPXWJSFHD-HXUWFJFHSA-N 1 1 341.455 2.993 40 0 EFABMO C[N@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(C)(C)O ZINC000078727912 217110364 /nfs/dbraw/zinc/11/03/64/217110364.db2.gz OUUDOSQEXVJXCN-UHFFFAOYSA-N 1 1 329.322 2.958 40 0 EFABMO C[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)CC(C)(C)O ZINC000078727912 217110368 /nfs/dbraw/zinc/11/03/68/217110368.db2.gz OUUDOSQEXVJXCN-UHFFFAOYSA-N 1 1 329.322 2.958 40 0 EFABMO Cc1csc(=O)n1CC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776780 217119610 /nfs/dbraw/zinc/11/96/10/217119610.db2.gz ZARGOPYAOVGVTO-AWEZNQCLSA-N 1 1 342.468 2.974 40 0 EFABMO Cc1ccoc1C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000078919201 217147120 /nfs/dbraw/zinc/14/71/20/217147120.db2.gz CGNKPQNCEWHJDH-UHFFFAOYSA-N 1 1 331.416 2.835 40 0 EFABMO CCn1nc(C)c(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000078928924 217150146 /nfs/dbraw/zinc/15/01/46/217150146.db2.gz RRHAOIJEQMECEW-MRXNPFEDSA-N 1 1 340.471 2.583 40 0 EFABMO CCn1nc(C)c(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1C ZINC000078928924 217150149 /nfs/dbraw/zinc/15/01/49/217150149.db2.gz RRHAOIJEQMECEW-MRXNPFEDSA-N 1 1 340.471 2.583 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000079336610 217211699 /nfs/dbraw/zinc/21/16/99/217211699.db2.gz LAEKXBIFWWJFMG-LJQANCHMSA-N 1 1 331.504 2.918 40 0 EFABMO C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)n1cccn1 ZINC000110647768 220051059 /nfs/dbraw/zinc/05/10/59/220051059.db2.gz XGSWOUTZOZZLSF-CVEARBPZSA-N 1 1 342.443 2.803 40 0 EFABMO O=C(N[C@@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390934 217217499 /nfs/dbraw/zinc/21/74/99/217217499.db2.gz NZZLMXNIPUTZKV-MSOLQXFVSA-N 1 1 332.444 2.681 40 0 EFABMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677960 220055821 /nfs/dbraw/zinc/05/58/21/220055821.db2.gz DAXGSWATMUXOHS-KBXCAEBGSA-N 1 1 336.863 2.972 40 0 EFABMO O=C(OCc1ccccc1)N(C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000079411277 217222209 /nfs/dbraw/zinc/22/22/09/217222209.db2.gz DPUUHHOOVQEUHA-SFHVURJKSA-N 1 1 332.444 2.634 40 0 EFABMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000079895676 217262001 /nfs/dbraw/zinc/26/20/01/217262001.db2.gz ICVPTNPAPOMJKF-NSHDSACASA-N 1 1 348.340 2.685 40 0 EFABMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000081361320 217388764 /nfs/dbraw/zinc/38/87/64/217388764.db2.gz XVFGDUUNCHGBED-MRXNPFEDSA-N 1 1 326.444 2.676 40 0 EFABMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000081361319 217386798 /nfs/dbraw/zinc/38/67/98/217386798.db2.gz XVFGDUUNCHGBED-INIZCTEOSA-N 1 1 326.444 2.676 40 0 EFABMO CCCO[C@H]1CCC[N@@H+](Cc2c(C)n(CC(N)=O)c3ccccc32)C1 ZINC000012364451 211356228 /nfs/dbraw/zinc/35/62/28/211356228.db2.gz GZGHZXPHWFJBEX-INIZCTEOSA-N 1 1 343.471 2.826 40 0 EFABMO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000012117347 211296192 /nfs/dbraw/zinc/29/61/92/211296192.db2.gz CZYMWVHEEKGBCN-UHFFFAOYSA-N 1 1 339.395 2.628 40 0 EFABMO C[C@@H]1C[N@H+](C2CCN(c3cncc(Br)c3)CC2)CCO1 ZINC000091453645 218009037 /nfs/dbraw/zinc/00/90/37/218009037.db2.gz SHVZQTDDEYRXEJ-GFCCVEGCSA-N 1 1 340.265 2.534 40 0 EFABMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)o1 ZINC000091685370 218046525 /nfs/dbraw/zinc/04/65/25/218046525.db2.gz IQFDRMJZJWQJEM-OAHLLOKOSA-N 1 1 343.427 2.980 40 0 EFABMO CCN1C[C@@H](C[N@@H+](C)Cc2ccc(C(N)=O)cc2)Oc2ccccc21 ZINC000011193488 211207471 /nfs/dbraw/zinc/20/74/71/211207471.db2.gz YKDVUZHKLYDKEH-QGZVFWFLSA-N 1 1 339.439 2.505 40 0 EFABMO COc1cc(C[N@@H+](C)C[C@H]2CCOC2)c(Br)cc1O ZINC000093840417 218253130 /nfs/dbraw/zinc/25/31/30/218253130.db2.gz JIGLTPDLBYPQNM-SNVBAGLBSA-N 1 1 330.222 2.632 40 0 EFABMO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3N3CCOCC3)CCO2)o1 ZINC000093865034 218253959 /nfs/dbraw/zinc/25/39/59/218253959.db2.gz SYLBKUJFUJWSMR-HXUWFJFHSA-N 1 1 342.439 2.998 40 0 EFABMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3N3CCOCC3)CCO2)o1 ZINC000093865034 218253962 /nfs/dbraw/zinc/25/39/62/218253962.db2.gz SYLBKUJFUJWSMR-HXUWFJFHSA-N 1 1 342.439 2.998 40 0 EFABMO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000095409686 218346136 /nfs/dbraw/zinc/34/61/36/218346136.db2.gz ZJEVVRJGGITSDO-LZLYRXPVSA-N 1 1 333.476 2.826 40 0 EFABMO Cc1nc(-c2ccccc2NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)no1 ZINC000095418297 218357595 /nfs/dbraw/zinc/35/75/95/218357595.db2.gz NAZLVLZCJLFUDR-BLLLJJGKSA-N 1 1 343.431 2.849 40 0 EFABMO O=C(c1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000095418907 218358572 /nfs/dbraw/zinc/35/85/72/218358572.db2.gz RDSUPURHQBAGSY-BJOOFOGMSA-N 1 1 327.403 2.863 40 0 EFABMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1(CO)CCCC1 ZINC000095416121 218354808 /nfs/dbraw/zinc/35/48/08/218354808.db2.gz KMSZOKWMQNOQEX-GOSISDBHSA-N 1 1 345.487 2.503 40 0 EFABMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(-n3cncn3)cc2)o1 ZINC000095421544 218363505 /nfs/dbraw/zinc/36/35/05/218363505.db2.gz WKSNAVLYNITDQI-KBPBESRZSA-N 1 1 339.399 2.847 40 0 EFABMO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000095443580 218388173 /nfs/dbraw/zinc/38/81/73/218388173.db2.gz GCBRCEYZHIMEER-BXWFABGCSA-N 1 1 347.503 2.855 40 0 EFABMO O=C(c1ccn2cncc2c1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000095449972 218393675 /nfs/dbraw/zinc/39/36/75/218393675.db2.gz PKBWHFFDGCXKDD-GOSISDBHSA-N 1 1 334.423 2.729 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@H+](C3CCCC3)C[C@H]2O1 ZINC000096043032 218527610 /nfs/dbraw/zinc/52/76/10/218527610.db2.gz WQWHUEGMFLBVOU-RRQGHBQHSA-N 1 1 334.485 2.786 40 0 EFABMO CC(C)(C)n1cc(C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cn1 ZINC000449418436 251019292 /nfs/dbraw/zinc/01/92/92/251019292.db2.gz CWKJJEWQNUCWET-MJGOQNOKSA-N 1 1 331.435 2.938 40 0 EFABMO CC(C)(C)n1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cn1 ZINC000449418436 251019297 /nfs/dbraw/zinc/01/92/97/251019297.db2.gz CWKJJEWQNUCWET-MJGOQNOKSA-N 1 1 331.435 2.938 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)N3CCS[C@@H](C)[C@H]3C)CC2)[nH+]c1 ZINC000096440811 218821459 /nfs/dbraw/zinc/82/14/59/218821459.db2.gz JHNLMRNXWWKNRW-CABCVRRESA-N 1 1 348.516 2.894 40 0 EFABMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)cc1Br ZINC000097230509 219000088 /nfs/dbraw/zinc/00/00/88/219000088.db2.gz OWZHZFUFLPRYMA-LBPRGKRZSA-N 1 1 325.250 2.747 40 0 EFABMO C[N@H+]1CCCN(C(=O)Nc2cc(F)c(Br)c(F)c2)CC1 ZINC000097235715 219001906 /nfs/dbraw/zinc/00/19/06/219001906.db2.gz YZOBVQVSAGNAMI-UHFFFAOYSA-N 1 1 348.191 2.897 40 0 EFABMO CCCn1nccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000112674576 220372019 /nfs/dbraw/zinc/37/20/19/220372019.db2.gz JKDPEYWLUTUHQJ-QGZVFWFLSA-N 1 1 342.443 2.523 40 0 EFABMO CCCn1nccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000112674576 220372022 /nfs/dbraw/zinc/37/20/22/220372022.db2.gz JKDPEYWLUTUHQJ-QGZVFWFLSA-N 1 1 342.443 2.523 40 0 EFABMO COc1ccc(OC)c2c1C[N@H+](CCc1csc(C)n1)C[C@H]2O ZINC000119152036 221253742 /nfs/dbraw/zinc/25/37/42/221253742.db2.gz FUGCYYIYQJELCR-CQSZACIVSA-N 1 1 334.441 2.560 40 0 EFABMO COc1ccc(OC)c2c1C[N@@H+](CCc1csc(C)n1)C[C@H]2O ZINC000119152036 221253744 /nfs/dbraw/zinc/25/37/44/221253744.db2.gz FUGCYYIYQJELCR-CQSZACIVSA-N 1 1 334.441 2.560 40 0 EFABMO CSC[C@H](C)NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000120157117 221496927 /nfs/dbraw/zinc/49/69/27/221496927.db2.gz FUEDWZKMKUPGCY-NSHDSACASA-N 1 1 327.519 2.531 40 0 EFABMO C[C@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000035093020 132389686 /nfs/dbraw/zinc/38/96/86/132389686.db2.gz MNBQTFCXJCVEKS-FRQCXROJSA-N 1 1 336.451 2.514 40 0 EFABMO c1csc(C[NH+]2CCC3(CO[C@@H](COc4ccccn4)C3)CC2)n1 ZINC000096106201 285566818 /nfs/dbraw/zinc/56/68/18/285566818.db2.gz AXSVOFIGFAODCA-OAHLLOKOSA-N 1 1 345.468 2.988 40 0 EFABMO C[C@@H](C[N@@H+](C1CCC(C)CC1)C1CCC(O)CC1)CS(C)(=O)=O ZINC000096486849 544558690 /nfs/dbraw/zinc/55/86/90/544558690.db2.gz OGZIRSDYQUFTHX-MVHQMTIDSA-N 1 1 345.549 2.851 40 0 EFABMO C[N@@H+](CC1CCOCC1)[C@H](CO)c1cccc(Br)c1 ZINC000096487661 544559839 /nfs/dbraw/zinc/55/98/39/544559839.db2.gz CXLJIKJABUGWQQ-OAHLLOKOSA-N 1 1 328.250 2.841 40 0 EFABMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1ccc(C(F)(F)F)nn1 ZINC000271124623 273099776 /nfs/dbraw/zinc/09/97/76/273099776.db2.gz STZOJOCKGVNHQA-UHFFFAOYSA-N 1 1 339.321 2.779 40 0 EFABMO COCC[N@H+]1CC[C@]2(C1)COCc1c(C)nc(-c3ccccc3)nc12 ZINC000096244677 274033351 /nfs/dbraw/zinc/03/33/51/274033351.db2.gz AJPVFRMOEPRZGM-FQEVSTJZSA-N 1 1 339.439 2.572 40 0 EFABMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1ccncc1)CC2 ZINC000253418783 274100790 /nfs/dbraw/zinc/10/07/90/274100790.db2.gz VDLDBGXTSVFKOH-UHFFFAOYSA-N 1 1 328.412 2.708 40 0 EFABMO COc1cc2c3c(c1)C(C[NH+]1CCCCC1)=CC(C)(C)N3C(=O)C2=O ZINC000409417614 274102658 /nfs/dbraw/zinc/10/26/58/274102658.db2.gz JPXDRWVKZLCTKB-UHFFFAOYSA-N 1 1 340.423 2.886 40 0 EFABMO O[C@@H](C[N@H+]1CCCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000019656844 275051038 /nfs/dbraw/zinc/05/10/38/275051038.db2.gz ZELPTZHGNDWTRR-KRWDZBQOSA-N 1 1 331.847 2.981 40 0 EFABMO CCN(C(=O)C[N@@H+]1CC[C@H](OC)[C@]2(CCCO2)C1)c1cccc(C)c1 ZINC000257262924 276061454 /nfs/dbraw/zinc/06/14/54/276061454.db2.gz LNQPPKVJJPWMIP-ICSRJNTNSA-N 1 1 346.471 2.618 40 0 EFABMO CCN(C(=O)C[N@H+]1CC[C@H](OC)[C@]2(CCCO2)C1)c1cccc(C)c1 ZINC000257262924 276061456 /nfs/dbraw/zinc/06/14/56/276061456.db2.gz LNQPPKVJJPWMIP-ICSRJNTNSA-N 1 1 346.471 2.618 40 0 EFABMO CN1CC[C@]2(C[N@@H+](Cc3nccs3)C[C@H]2c2ccccc2)C1=O ZINC000096201843 277186855 /nfs/dbraw/zinc/18/68/55/277186855.db2.gz CWFQEGODXIPTIU-MAUKXSAKSA-N 1 1 327.453 2.591 40 0 EFABMO Cc1cccc(C)c1-n1nnnc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000295674984 295358823 /nfs/dbraw/zinc/35/88/23/295358823.db2.gz BQJQVFRXDDAZHO-CABCVRRESA-N 1 1 336.443 2.895 40 0 EFABMO CCc1cc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)nc(C)[nH+]1 ZINC000302071587 311176492 /nfs/dbraw/zinc/17/64/92/311176492.db2.gz YPUWYVGPNPCYAE-UHFFFAOYSA-N 1 1 339.443 2.906 40 0 EFABMO Cc1nnc([C@H](C)[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)o1 ZINC000329115891 311266038 /nfs/dbraw/zinc/26/60/38/311266038.db2.gz NAUBHFWNKLOUOF-ZFWWWQNUSA-N 1 1 332.448 2.554 40 0 EFABMO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)o1 ZINC000097232528 323213688 /nfs/dbraw/zinc/21/36/88/323213688.db2.gz CUTXNBJFLWINEK-CQSZACIVSA-N 1 1 338.415 2.797 40 0 EFABMO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)o1 ZINC000097232528 323213691 /nfs/dbraw/zinc/21/36/91/323213691.db2.gz CUTXNBJFLWINEK-CQSZACIVSA-N 1 1 338.415 2.797 40 0 EFABMO C[C@H](C(=O)Nc1ccc(Cl)cc1-n1cccc1)N1CC[NH+](C)CC1 ZINC000097374745 323214771 /nfs/dbraw/zinc/21/47/71/323214771.db2.gz ZOBZDYNUCZTVNK-CQSZACIVSA-N 1 1 346.862 2.705 40 0 EFABMO C[N@H+](CC(=O)Nc1nc(-c2ccccn2)cs1)[C@H]1CCSC1 ZINC000095448682 473206478 /nfs/dbraw/zinc/20/64/78/473206478.db2.gz QNFYMOFLKQNPHU-NSHDSACASA-N 1 1 334.470 2.581 40 0 EFABMO C[N@@H+](CC(=O)Nc1nc(-c2ccccn2)cs1)[C@H]1CCSC1 ZINC000095448682 473206483 /nfs/dbraw/zinc/20/64/83/473206483.db2.gz QNFYMOFLKQNPHU-NSHDSACASA-N 1 1 334.470 2.581 40 0 EFABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1OC ZINC000095533853 473222420 /nfs/dbraw/zinc/22/24/20/473222420.db2.gz MSXUOXCWLWNJOP-OAHLLOKOSA-N 1 1 328.347 2.676 40 0 EFABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3cccs3)n[nH]2)cc1OC ZINC000095534298 473223305 /nfs/dbraw/zinc/22/33/05/473223305.db2.gz VKZBUNWFLDHBEK-AWEZNQCLSA-N 1 1 330.413 2.989 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040441 473261076 /nfs/dbraw/zinc/26/10/76/473261076.db2.gz CAKIHSVVOFRMSV-IEBWSBKVSA-N 1 1 332.444 2.511 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CCC3)C2)cn1 ZINC000096040283 473262257 /nfs/dbraw/zinc/26/22/57/473262257.db2.gz NPZVKGKWKHXSNQ-RBUKOAKNSA-N 1 1 333.476 2.608 40 0 EFABMO O=C(NC[C@@H]1CC[C@H](O)C1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000190407325 473262525 /nfs/dbraw/zinc/26/25/25/473262525.db2.gz GXVUJKOROBPEGR-QRVBRYPASA-N 1 1 345.487 2.501 40 0 EFABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)o1 ZINC000096041843 473262967 /nfs/dbraw/zinc/26/29/67/473262967.db2.gz QHZVAPGEIOKJDL-IPMKNSEASA-N 1 1 345.443 2.623 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)o1 ZINC000096041843 473262973 /nfs/dbraw/zinc/26/29/73/473262973.db2.gz QHZVAPGEIOKJDL-IPMKNSEASA-N 1 1 345.443 2.623 40 0 EFABMO COC[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044556 473265759 /nfs/dbraw/zinc/26/57/59/473265759.db2.gz SMMYPLZCNKMNOR-ZDUSSCGKSA-N 1 1 335.835 2.698 40 0 EFABMO COC[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2c1cnn2C ZINC000096044556 473265766 /nfs/dbraw/zinc/26/57/66/473265766.db2.gz SMMYPLZCNKMNOR-ZDUSSCGKSA-N 1 1 335.835 2.698 40 0 EFABMO COC[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044688 473265899 /nfs/dbraw/zinc/26/58/99/473265899.db2.gz UUHCTWIMIPMDRW-AWEZNQCLSA-N 1 1 335.835 2.698 40 0 EFABMO CC(C)c1nccc([C@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096046179 473267735 /nfs/dbraw/zinc/26/77/35/473267735.db2.gz PNFJNACLLLNRCW-CGTJXYLNSA-N 1 1 341.459 2.686 40 0 EFABMO CC(C)c1nccc([C@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)n1 ZINC000096046179 473267743 /nfs/dbraw/zinc/26/77/43/473267743.db2.gz PNFJNACLLLNRCW-CGTJXYLNSA-N 1 1 341.459 2.686 40 0 EFABMO CN(Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048042 473268155 /nfs/dbraw/zinc/26/81/55/473268155.db2.gz HLVGCWYRHODOAV-GOSISDBHSA-N 1 1 341.455 2.930 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cnccn2)C3)o1 ZINC000096047073 473268436 /nfs/dbraw/zinc/26/84/36/473268436.db2.gz CIKPKFPYRVMNCG-LJQANCHMSA-N 1 1 340.427 2.506 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096047050 473268889 /nfs/dbraw/zinc/26/88/89/473268889.db2.gz WBISRNDLRVPEIE-FQEVSTJZSA-N 1 1 336.439 2.605 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC000096048023 473268994 /nfs/dbraw/zinc/26/89/94/473268994.db2.gz RJAOKRDHQMQYCT-INIZCTEOSA-N 1 1 344.411 2.768 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096047035 473269443 /nfs/dbraw/zinc/26/94/43/473269443.db2.gz SCSXIMAXTOOFDK-LJQANCHMSA-N 1 1 325.412 2.803 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(C(=O)c1ccco1)CC2 ZINC000096048020 473269924 /nfs/dbraw/zinc/26/99/24/473269924.db2.gz APFNEPJLSDTSCE-OAHLLOKOSA-N 1 1 344.411 2.768 40 0 EFABMO c1cc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048339 473271679 /nfs/dbraw/zinc/27/16/79/473271679.db2.gz YCWLQZVJFMNDNN-RDJZCZTQSA-N 1 1 330.457 2.774 40 0 EFABMO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccco2)C3)nn1 ZINC000096048431 473272557 /nfs/dbraw/zinc/27/25/57/473272557.db2.gz HBVANDHTTWTLFS-MAUKXSAKSA-N 1 1 328.416 2.614 40 0 EFABMO c1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096049627 473273446 /nfs/dbraw/zinc/27/34/46/473273446.db2.gz DVFAHDVHXIXTDY-GOSISDBHSA-N 1 1 344.484 2.657 40 0 EFABMO Cc1nc(CN2C[C@@]3(CC[N@H+](Cc4nccs4)C3)CC2=O)cs1 ZINC000096050904 473273583 /nfs/dbraw/zinc/27/35/83/473273583.db2.gz YOEJAZRCFHFTFJ-INIZCTEOSA-N 1 1 348.497 2.533 40 0 EFABMO Cc1nc(CN2C[C@@]3(CC[N@@H+](Cc4nccs4)C3)CC2=O)cs1 ZINC000096050904 473273588 /nfs/dbraw/zinc/27/35/88/473273588.db2.gz YOEJAZRCFHFTFJ-INIZCTEOSA-N 1 1 348.497 2.533 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096050506 473273973 /nfs/dbraw/zinc/27/39/73/473273973.db2.gz KQLZPUQISUJZHO-LJQANCHMSA-N 1 1 325.412 2.608 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)n1 ZINC000096049547 473274122 /nfs/dbraw/zinc/27/41/22/473274122.db2.gz ZMMGWAKRKPPLCA-SFHVURJKSA-N 1 1 344.484 2.657 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(CCN(Cc4cccnc4)C3=O)C2)o1 ZINC000096050505 473274252 /nfs/dbraw/zinc/27/42/52/473274252.db2.gz KQLZPUQISUJZHO-IBGZPJMESA-N 1 1 325.412 2.608 40 0 EFABMO c1csc(CN2CCOC[C@@]3(CC[C@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000096052326 473275402 /nfs/dbraw/zinc/27/54/02/473275402.db2.gz YHQPVYQVOWOHRO-SJLPKXTDSA-N 1 1 336.501 2.594 40 0 EFABMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3Cc2ccc(F)cc2)n1 ZINC000096054039 473275419 /nfs/dbraw/zinc/27/54/19/473275419.db2.gz PAUBMIAOLPNFEQ-OALUTQOASA-N 1 1 339.414 2.905 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)s1 ZINC000096055893 473278228 /nfs/dbraw/zinc/27/82/28/473278228.db2.gz WAUGNEXGTYOPHC-RCCFBDPRSA-N 1 1 330.453 2.868 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@H+]3C2)n1 ZINC000096055075 473278356 /nfs/dbraw/zinc/27/83/56/473278356.db2.gz QZYJRGYUHLKPJL-MOPGFXCFSA-N 1 1 343.496 2.927 40 0 EFABMO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4nccs4)CC[N@H+]3C2)c1 ZINC000096055145 473278938 /nfs/dbraw/zinc/27/89/38/473278938.db2.gz QGRWLWBWGURQKP-ZBFHGGJFSA-N 1 1 333.432 2.620 40 0 EFABMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(F)cc2)n1 ZINC000096055763 473279192 /nfs/dbraw/zinc/27/91/92/473279192.db2.gz PAUBMIAOLPNFEQ-RBUKOAKNSA-N 1 1 339.414 2.905 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)s1 ZINC000096057209 473280552 /nfs/dbraw/zinc/28/05/52/473280552.db2.gz ZYBADBZAIAQWGU-NUJGCVRESA-N 1 1 348.512 2.763 40 0 EFABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccco2)cs1 ZINC000096056573 473281286 /nfs/dbraw/zinc/28/12/86/473281286.db2.gz IAYRWFKODQAGGY-HZPDHXFCSA-N 1 1 331.441 2.810 40 0 EFABMO Cc1ccc(C[N@@H+]2CCc3nnc(CN(C)C(C)C)n3CC2)s1 ZINC000096058952 473283271 /nfs/dbraw/zinc/28/32/71/473283271.db2.gz SCOVDAYMOHIVCY-UHFFFAOYSA-N 1 1 333.505 2.547 40 0 EFABMO c1coc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059229 473283743 /nfs/dbraw/zinc/28/37/43/473283743.db2.gz SQWVPCAUHHUPOY-KRWDZBQOSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059229 473283752 /nfs/dbraw/zinc/28/37/52/473283752.db2.gz SQWVPCAUHHUPOY-KRWDZBQOSA-N 1 1 338.411 2.720 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccco2)CC[C@]12CC[C@@H](C(=O)N1CCCC1)O2 ZINC000096061309 473284770 /nfs/dbraw/zinc/28/47/70/473284770.db2.gz OASXTPQNZBHMCN-VDZJLULYSA-N 1 1 332.444 2.662 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccco2)CC[C@]12CC[C@H](C(=O)N1CCCC1)O2 ZINC000096061308 473286027 /nfs/dbraw/zinc/28/60/27/473286027.db2.gz OASXTPQNZBHMCN-KVSKMBFKSA-N 1 1 332.444 2.662 40 0 EFABMO Cc1oncc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccoc1)C2 ZINC000096062961 473286526 /nfs/dbraw/zinc/28/65/26/473286526.db2.gz UEOBEMSYZHPSAM-SFHVURJKSA-N 1 1 329.400 2.704 40 0 EFABMO C[N@@H+](Cc1ccccn1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096063163 473286738 /nfs/dbraw/zinc/28/67/38/473286738.db2.gz QPJFZSMXPVMWMZ-UHFFFAOYSA-N 1 1 341.434 2.892 40 0 EFABMO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccccc2)C1 ZINC000096064944 473287571 /nfs/dbraw/zinc/28/75/71/473287571.db2.gz SIKDEQIYGYPMAA-BHIYHBOVSA-N 1 1 340.423 2.575 40 0 EFABMO CC(C)C[N@H+]1CCC[C@]12CCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096071085 473289712 /nfs/dbraw/zinc/28/97/12/473289712.db2.gz HPNXVOLXJOFNDI-GOSISDBHSA-N 1 1 336.501 2.713 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H](F)[C@]3(CCN(Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291551 /nfs/dbraw/zinc/29/15/51/473291551.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 1 1 346.450 2.758 40 0 EFABMO Cc1ccc(CN2CC[C@@H](F)[C@]3(CC[N@@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291559 /nfs/dbraw/zinc/29/15/59/473291559.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 1 1 346.450 2.758 40 0 EFABMO Cc1ccc(CN2CC[C@@H](F)[C@]3(CC[N@H+](Cc4cnn(C)c4)C3)C2)o1 ZINC000096078741 473291562 /nfs/dbraw/zinc/29/15/62/473291562.db2.gz OQAPZIMNYAKCNM-RTBURBONSA-N 1 1 346.450 2.758 40 0 EFABMO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2CCCc2ccccc2)C1 ZINC000096080532 473291621 /nfs/dbraw/zinc/29/16/21/473291621.db2.gz KCMRLOYMRIECIP-WBVHZDCISA-N 1 1 327.453 2.532 40 0 EFABMO C[NH+](C)CCN1CCC2(CCCN(C(=O)c3ccccc3F)C2)CC1 ZINC000096089589 473292790 /nfs/dbraw/zinc/29/27/90/473292790.db2.gz JNUFLOSRPAQNBB-UHFFFAOYSA-N 1 1 347.478 2.706 40 0 EFABMO CC(C)n1nc(C[N@@H+](C)C(C)C)c2c1CN(Cc1cnn(C)c1)CC2 ZINC000096084218 473293900 /nfs/dbraw/zinc/29/39/00/473293900.db2.gz JJBWMFSDXFBECN-UHFFFAOYSA-N 1 1 344.507 2.596 40 0 EFABMO CC(C)CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3cnn(C)c3)C2)C1=O ZINC000096100301 473295868 /nfs/dbraw/zinc/29/58/68/473295868.db2.gz UTASYXCXAYHDPO-FQEVSTJZSA-N 1 1 338.455 2.566 40 0 EFABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096100332 473296136 /nfs/dbraw/zinc/29/61/36/473296136.db2.gz IGHZLYVOKCIVGS-NRFANRHFSA-N 1 1 333.435 2.982 40 0 EFABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000096100334 473296256 /nfs/dbraw/zinc/29/62/56/473296256.db2.gz LONSGYSJFKQVQX-NRFANRHFSA-N 1 1 333.435 2.982 40 0 EFABMO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)n1 ZINC000096107793 473299590 /nfs/dbraw/zinc/29/95/90/473299590.db2.gz POWDVGXWNJEYKN-AEFFLSMTSA-N 1 1 345.468 2.797 40 0 EFABMO Cc1cccc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1 ZINC000096107793 473299592 /nfs/dbraw/zinc/29/95/92/473299592.db2.gz POWDVGXWNJEYKN-AEFFLSMTSA-N 1 1 345.468 2.797 40 0 EFABMO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096107786 473300206 /nfs/dbraw/zinc/30/02/06/473300206.db2.gz KXZNCQANKDQFDB-MSOLQXFVSA-N 1 1 345.468 2.797 40 0 EFABMO Cc1ccsc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108193 473301300 /nfs/dbraw/zinc/30/13/00/473301300.db2.gz XULWOYXUEDZAIQ-JKSUJKDBSA-N 1 1 346.452 2.623 40 0 EFABMO Cc1ccsc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108193 473301308 /nfs/dbraw/zinc/30/13/08/473301308.db2.gz XULWOYXUEDZAIQ-JKSUJKDBSA-N 1 1 346.452 2.623 40 0 EFABMO c1ccc(CC[N@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cc1 ZINC000096108968 473302023 /nfs/dbraw/zinc/30/20/23/473302023.db2.gz XHNFGAMKWWVDNR-NHCUHLMSSA-N 1 1 338.451 2.789 40 0 EFABMO Fc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC000096109014 473302239 /nfs/dbraw/zinc/30/22/39/473302239.db2.gz ZAGZQINTMUEOBE-XLIONFOSSA-N 1 1 342.414 2.886 40 0 EFABMO Fc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cc1 ZINC000096108771 473302505 /nfs/dbraw/zinc/30/25/05/473302505.db2.gz RBXBNUGNORSYPE-UYAOXDASSA-N 1 1 349.446 2.717 40 0 EFABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)cs1 ZINC000096108865 473302542 /nfs/dbraw/zinc/30/25/42/473302542.db2.gz UVASNBUKXHQEGJ-QZTJIDSGSA-N 1 1 330.453 2.808 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COc3cccnc3)C2)c1 ZINC000096110373 473304116 /nfs/dbraw/zinc/30/41/16/473304116.db2.gz ISSNADORRNDPRM-MOPGFXCFSA-N 1 1 325.412 2.537 40 0 EFABMO COc1ccc(C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2OC)cc1 ZINC000096110547 473304243 /nfs/dbraw/zinc/30/42/43/473304243.db2.gz FMQZHCPUZRIZHS-HKUYNNGSSA-N 1 1 329.444 2.508 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000096110407 473304405 /nfs/dbraw/zinc/30/44/05/473304405.db2.gz XIAWANXCMYESDT-UXHICEINSA-N 1 1 339.439 2.674 40 0 EFABMO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](CCC(C)C)C2 ZINC000096111940 473304825 /nfs/dbraw/zinc/30/48/25/473304825.db2.gz YQNFIRHNTZBJLD-RDJZCZTQSA-N 1 1 332.444 2.547 40 0 biogenic,in-vitro EFABMO O=C(c1ccsc1)N1CCO[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096108078 473300072 /nfs/dbraw/zinc/30/00/72/473300072.db2.gz BVNJVPHQPPNNQP-GDBMZVCRSA-N 1 1 348.493 2.783 40 0 EFABMO c1cc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096111203 473305783 /nfs/dbraw/zinc/30/57/83/473305783.db2.gz XFEOAALUYKUMGE-GBESFXJTSA-N 1 1 328.412 2.871 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096111203 473305789 /nfs/dbraw/zinc/30/57/89/473305789.db2.gz XFEOAALUYKUMGE-GBESFXJTSA-N 1 1 328.412 2.871 40 0 EFABMO COCCC(=O)N1CCC2(CC[N@@H+](Cc3cccc(OC)c3)C2)CC1 ZINC000096157463 473315808 /nfs/dbraw/zinc/31/58/08/473315808.db2.gz GPQLEDRHZCRQLA-UHFFFAOYSA-N 1 1 346.471 2.546 40 0 EFABMO O=C(N1CCCC1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157429 473316134 /nfs/dbraw/zinc/31/61/34/473316134.db2.gz CMMXDLWSIGFESJ-UHFFFAOYSA-N 1 1 328.460 2.585 40 0 EFABMO Cn1cccc1C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096158142 473318408 /nfs/dbraw/zinc/31/84/08/473318408.db2.gz FFEUSRXZANGJQI-HXUWFJFHSA-N 1 1 338.455 2.548 40 0 EFABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccn1C)CC2 ZINC000096158676 473318752 /nfs/dbraw/zinc/31/87/52/473318752.db2.gz RFBWHFHTJMMWPG-GOSISDBHSA-N 1 1 343.471 2.874 40 0 EFABMO Fc1ccccc1CO[C@@H]1C[C@H]2CN(Cc3cccnc3)CC[N@H+]2C1 ZINC000096183571 473324775 /nfs/dbraw/zinc/32/47/75/473324775.db2.gz XAGDKUWLADAVDA-RBUKOAKNSA-N 1 1 341.430 2.696 40 0 EFABMO Cc1cnc(N2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2ccccn2)nc1 ZINC000096183051 473324841 /nfs/dbraw/zinc/32/48/41/473324841.db2.gz FFHMTAVDRKLYBU-NZSAHSFTSA-N 1 1 337.471 2.917 40 0 EFABMO O=C1N(c2cccnc2)CC[C@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096159508 473320324 /nfs/dbraw/zinc/32/03/24/473320324.db2.gz IHEFVGKIVMFGGT-IBGZPJMESA-N 1 1 325.387 2.850 40 0 EFABMO Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184470 473326007 /nfs/dbraw/zinc/32/60/07/473326007.db2.gz JSOFYVYVZUIKMC-JKSUJKDBSA-N 1 1 334.485 2.772 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1 ZINC000096184571 473326103 /nfs/dbraw/zinc/32/61/03/473326103.db2.gz HQCVBAGRCDGBIT-SJORKVTESA-N 1 1 327.453 2.941 40 0 EFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2cccs2)N1CC1CCOCC1 ZINC000096186324 473326424 /nfs/dbraw/zinc/32/64/24/473326424.db2.gz JPGXVLORPDCDNA-IRXDYDNUSA-N 1 1 334.485 2.740 40 0 EFABMO O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@H+]2CC1CCOCC1 ZINC000096184444 473327494 /nfs/dbraw/zinc/32/74/94/473327494.db2.gz KFFXDRPFTHOQQR-ZWKOTPCHSA-N 1 1 332.419 2.541 40 0 EFABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccoc2)cs1 ZINC000096186368 473328792 /nfs/dbraw/zinc/32/87/92/473328792.db2.gz MVEVJTLXOYCLIT-HZPDHXFCSA-N 1 1 331.441 2.810 40 0 EFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccsc2)N1Cc1ccncc1 ZINC000096186391 473329780 /nfs/dbraw/zinc/32/97/80/473329780.db2.gz XBRPXFAVCCYGIQ-IRXDYDNUSA-N 1 1 327.453 2.909 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@@H+](Cc1cccnc1)C2 ZINC000096189152 473330579 /nfs/dbraw/zinc/33/05/79/473330579.db2.gz XYBVLWQUSQSOQS-LJQANCHMSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@H+](Cc1cccnc1)C2 ZINC000096189152 473330585 /nfs/dbraw/zinc/33/05/85/473330585.db2.gz XYBVLWQUSQSOQS-LJQANCHMSA-N 1 1 349.438 2.522 40 0 EFABMO O=C(NCc1cncc2c1CC[N@@H+](Cc1ccncc1)C2)c1ccco1 ZINC000096189506 473330740 /nfs/dbraw/zinc/33/07/40/473330740.db2.gz PTFAQCXFAKNQIE-UHFFFAOYSA-N 1 1 348.406 2.558 40 0 EFABMO CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2cn(CC3CC3)nc21 ZINC000096198158 473334428 /nfs/dbraw/zinc/33/44/28/473334428.db2.gz UZKUYUKRNBJIPW-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2cn(CC3CC3)nc21 ZINC000096198158 473334432 /nfs/dbraw/zinc/33/44/32/473334432.db2.gz UZKUYUKRNBJIPW-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)s1 ZINC000096188541 473331279 /nfs/dbraw/zinc/33/12/79/473331279.db2.gz SQVUAJSHBIRQBV-HNNXBMFYSA-N 1 1 327.457 2.782 40 0 EFABMO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](Cn3cccn3)C2)s1 ZINC000096188541 473331281 /nfs/dbraw/zinc/33/12/81/473331281.db2.gz SQVUAJSHBIRQBV-HNNXBMFYSA-N 1 1 327.457 2.782 40 0 EFABMO c1coc(C[N@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096189170 473331413 /nfs/dbraw/zinc/33/14/13/473331413.db2.gz BDQZNJGMVKFKNS-INIZCTEOSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3ccnn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096189170 473331418 /nfs/dbraw/zinc/33/14/18/473331418.db2.gz BDQZNJGMVKFKNS-INIZCTEOSA-N 1 1 338.411 2.720 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1Cn2ccnc2CN(C(=O)c2cccs2)C1 ZINC000096188326 473331556 /nfs/dbraw/zinc/33/15/56/473331556.db2.gz QZGNJXGORDDHLG-CQSZACIVSA-N 1 1 332.473 2.557 40 0 EFABMO COc1ccc(C[N@H+]2Cc3cn(C)nc3[C@H](COCC3CC3)C2)cc1 ZINC000096198015 473334574 /nfs/dbraw/zinc/33/45/74/473334574.db2.gz IHSXBLQWSUNQLA-SFHVURJKSA-N 1 1 341.455 2.955 40 0 EFABMO COc1ccc(C[N@@H+]2Cc3cn(C)nc3[C@H](COCC3CC3)C2)cc1 ZINC000096198015 473334579 /nfs/dbraw/zinc/33/45/79/473334579.db2.gz IHSXBLQWSUNQLA-SFHVURJKSA-N 1 1 341.455 2.955 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)n1 ZINC000096200810 473337708 /nfs/dbraw/zinc/33/77/08/473337708.db2.gz YNXJACPRSKXBNM-MSOLQXFVSA-N 1 1 343.496 2.661 40 0 EFABMO O=C(c1cccs1)N1CCOC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096202150 473337726 /nfs/dbraw/zinc/33/77/26/473337726.db2.gz YEUSXSCYSAGFHS-SFHVURJKSA-N 1 1 346.452 2.706 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](CCc3ccccc3)CC[C@H]21)N1CCCC1 ZINC000096207031 473343000 /nfs/dbraw/zinc/34/30/00/473343000.db2.gz JLCQVYPFVARFEZ-AQNXPRMDSA-N 1 1 342.483 2.579 40 0 EFABMO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)[N@H+]1C ZINC000096208204 473343232 /nfs/dbraw/zinc/34/32/32/473343232.db2.gz MOJHSIBNSSGRJS-KRWDZBQOSA-N 1 1 334.435 2.931 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(CCNC(=O)C3CC3)C2)s1 ZINC000096207195 473343701 /nfs/dbraw/zinc/34/37/01/473343701.db2.gz LTBKOTQRYJJULF-MJGOQNOKSA-N 1 1 348.512 2.954 40 0 EFABMO COCCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096203117 473339893 /nfs/dbraw/zinc/33/98/93/473339893.db2.gz XIRGNBZNYCVMAY-GOSISDBHSA-N 1 1 336.863 2.801 40 0 EFABMO CCOC[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)[N@H+]1CC1CC1 ZINC000096206430 473340679 /nfs/dbraw/zinc/34/06/79/473340679.db2.gz OANOYBGFFNACSH-LJQANCHMSA-N 1 1 346.519 2.666 40 0 EFABMO Fc1cccnc1O[C@@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096206344 473340872 /nfs/dbraw/zinc/34/08/72/473340872.db2.gz HEWVIWXGDUJTDW-ZDUSSCGKSA-N 1 1 349.431 2.880 40 0 EFABMO c1cc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)co1 ZINC000096207541 473341727 /nfs/dbraw/zinc/34/17/27/473341727.db2.gz VXENZBMFKDUWLA-OAGGEKHMSA-N 1 1 329.400 2.620 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1cccc(C)n1)CC2 ZINC000096207258 473342302 /nfs/dbraw/zinc/34/23/02/473342302.db2.gz MJPPASGXKBTXNN-KRWDZBQOSA-N 1 1 345.487 2.742 40 0 EFABMO CCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@H+]1CC1CC1 ZINC000096208258 473342317 /nfs/dbraw/zinc/34/23/17/473342317.db2.gz HWDCBZWFNHOZMD-KRWDZBQOSA-N 1 1 348.466 2.866 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)o1 ZINC000096208068 473342827 /nfs/dbraw/zinc/34/28/27/473342827.db2.gz XIUNXRCSOGEAFA-KDOFPFPSSA-N 1 1 329.400 2.540 40 0 EFABMO C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096216914 473348704 /nfs/dbraw/zinc/34/87/04/473348704.db2.gz QGEWELSZQYSZKH-AZUAARDMSA-N 1 1 341.455 2.645 40 0 EFABMO CN(C)C(=O)CO[C@H]1CC[N@H+](C2CCC2)C[C@@H]1Cc1ccccc1 ZINC000096208768 473344824 /nfs/dbraw/zinc/34/48/24/473344824.db2.gz JAAGCVITJCSCLO-HKUYNNGSSA-N 1 1 330.472 2.577 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccc(C)s1)C2 ZINC000096217644 473349107 /nfs/dbraw/zinc/34/91/07/473349107.db2.gz OYOOIUMKNXRHOP-VQIMIIECSA-N 1 1 348.512 2.877 40 0 EFABMO COc1ccc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCC2CC2)cc1 ZINC000096217626 473349232 /nfs/dbraw/zinc/34/92/32/473349232.db2.gz FPSKGTLAFHRAAG-PZJWPPBQSA-N 1 1 344.499 2.876 40 0 EFABMO Cc1nc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096216849 473350205 /nfs/dbraw/zinc/35/02/05/473350205.db2.gz JGJSOIXEVGKTGM-KRWDZBQOSA-N 1 1 329.473 2.734 40 0 EFABMO Cc1nc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096216849 473350213 /nfs/dbraw/zinc/35/02/13/473350213.db2.gz JGJSOIXEVGKTGM-KRWDZBQOSA-N 1 1 329.473 2.734 40 0 EFABMO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC)C[C@H]3COC)cc1 ZINC000096217655 473350379 /nfs/dbraw/zinc/35/03/79/473350379.db2.gz XXEMCOMRTJCRNV-AZUAARDMSA-N 1 1 330.472 2.679 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)s1 ZINC000096220246 473353641 /nfs/dbraw/zinc/35/36/41/473353641.db2.gz CLIUNKFIPAYNDZ-ZTFGCOKTSA-N 1 1 330.453 2.977 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)Cc1ccco1)CC2 ZINC000096219326 473351409 /nfs/dbraw/zinc/35/14/09/473351409.db2.gz NCKSIVMPLNJTFR-MRXNPFEDSA-N 1 1 334.460 2.560 40 0 EFABMO Cc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219498 473352386 /nfs/dbraw/zinc/35/23/86/473352386.db2.gz DAJPQBWOAQOSTH-WMLDXEAASA-N 1 1 330.457 2.692 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)n1)C2 ZINC000096220296 473353213 /nfs/dbraw/zinc/35/32/13/473353213.db2.gz JPFPAFMVCXCLNA-QUCCMNQESA-N 1 1 329.488 2.570 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1scnc1C)C2 ZINC000096220096 473354161 /nfs/dbraw/zinc/35/41/61/473354161.db2.gz MKZLHDFNAFOHLO-WMZOPIPTSA-N 1 1 335.517 2.632 40 0 EFABMO Cc1ccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC000096226552 473357089 /nfs/dbraw/zinc/35/70/89/473357089.db2.gz WBTYCZLVEBXJJB-SFHVURJKSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1ccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC000096226552 473357093 /nfs/dbraw/zinc/35/70/93/473357093.db2.gz WBTYCZLVEBXJJB-SFHVURJKSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)NCC(C)C)=NO3)C2)cc1C ZINC000096225469 473357565 /nfs/dbraw/zinc/35/75/65/473357565.db2.gz QVFOXQFYUFSDIU-HXUWFJFHSA-N 1 1 343.471 2.796 40 0 EFABMO c1coc(CN2CCO[C@@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC000096226746 473358090 /nfs/dbraw/zinc/35/80/90/473358090.db2.gz YUADQZOXEVAWCY-LJQANCHMSA-N 1 1 327.428 2.542 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000096229123 473358722 /nfs/dbraw/zinc/35/87/22/473358722.db2.gz SYCVCOTZZULENO-FQEVSTJZSA-N 1 1 338.455 2.596 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)c1 ZINC000096229150 473358842 /nfs/dbraw/zinc/35/88/42/473358842.db2.gz RVUQQGHMZBXFND-GOSISDBHSA-N 1 1 344.484 2.657 40 0 EFABMO c1coc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096229020 473358931 /nfs/dbraw/zinc/35/89/31/473358931.db2.gz DENSVSAETHIMLW-IBGZPJMESA-N 1 1 327.428 2.794 40 0 EFABMO CC(C)C[N@H+]1CCN(C)C(=O)C12CCN(Cc1ccc(F)cc1)CC2 ZINC000096230257 473358953 /nfs/dbraw/zinc/35/89/53/473358953.db2.gz KYCBIOBVZGZTEN-UHFFFAOYSA-N 1 1 347.478 2.590 40 0 EFABMO CC(C)CN1CCN(C)C(=O)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096230257 473358958 /nfs/dbraw/zinc/35/89/58/473358958.db2.gz KYCBIOBVZGZTEN-UHFFFAOYSA-N 1 1 347.478 2.590 40 0 EFABMO O=C1C[C@]2(CC[N@H+](C3CCOCC3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239071 473360892 /nfs/dbraw/zinc/36/08/92/473360892.db2.gz FTPQSFZGTLZNIJ-SFHVURJKSA-N 1 1 336.382 2.573 40 0 EFABMO Cc1noc(C)c1CN1C[C@@]2(CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000096239401 473361172 /nfs/dbraw/zinc/36/11/72/473361172.db2.gz RBRAMJDCPQANCJ-FQEVSTJZSA-N 1 1 339.439 2.916 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccncc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239722 473361724 /nfs/dbraw/zinc/36/17/24/473361724.db2.gz XNGUCMVYVJNLLP-QGZVFWFLSA-N 1 1 345.397 2.609 40 0 EFABMO Cc1ccc(C(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)cc1 ZINC000096259296 473367363 /nfs/dbraw/zinc/36/73/63/473367363.db2.gz BFFAOKNHTWRRHG-UHFFFAOYSA-N 1 1 338.455 2.833 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@]12CCN(c1ncccn1)C2 ZINC000096239673 473363179 /nfs/dbraw/zinc/36/31/79/473363179.db2.gz GKUCXUDWXLPSCA-KRWDZBQOSA-N 1 1 345.397 2.609 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253335 473363655 /nfs/dbraw/zinc/36/36/55/473363655.db2.gz XRQZJWJGGGRQQT-CEXWTWQISA-N 1 1 337.423 2.618 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4cccnc4)[C@@H](C2)O3)cc1 ZINC000096253335 473363661 /nfs/dbraw/zinc/36/36/61/473363661.db2.gz XRQZJWJGGGRQQT-CEXWTWQISA-N 1 1 337.423 2.618 40 0 EFABMO Cc1nc(C[N@@H+]2CCc3nc(C)nc(NC4CC4)c3CC2)cs1 ZINC000096254616 473363947 /nfs/dbraw/zinc/36/39/47/473363947.db2.gz QZOJLYMSDXTZDJ-UHFFFAOYSA-N 1 1 329.473 2.725 40 0 EFABMO Cc1nc(C[N@H+]2CCc3nc(C)nc(NC4CC4)c3CC2)cs1 ZINC000096254616 473363952 /nfs/dbraw/zinc/36/39/52/473363952.db2.gz QZOJLYMSDXTZDJ-UHFFFAOYSA-N 1 1 329.473 2.725 40 0 EFABMO CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2cccc(C)n2)o1 ZINC000096248832 473364287 /nfs/dbraw/zinc/36/42/87/473364287.db2.gz CZYRSGNKHYEEMX-UXHICEINSA-N 1 1 341.455 2.631 40 0 EFABMO CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2cccc(C)n2)o1 ZINC000096248832 473364292 /nfs/dbraw/zinc/36/42/92/473364292.db2.gz CZYRSGNKHYEEMX-UXHICEINSA-N 1 1 341.455 2.631 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096250786 473364513 /nfs/dbraw/zinc/36/45/13/473364513.db2.gz IZJCLAVNLHTZHQ-IHPCNDPISA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)nc1 ZINC000096250786 473364518 /nfs/dbraw/zinc/36/45/18/473364518.db2.gz IZJCLAVNLHTZHQ-IHPCNDPISA-N 1 1 339.439 2.673 40 0 EFABMO Cc1ccc(CN2CCO[C@H]3C[N@@H+](CCc4ccccc4)C[C@H]32)o1 ZINC000096248804 473365021 /nfs/dbraw/zinc/36/50/21/473365021.db2.gz UPDYHUQDPNJACS-UXHICEINSA-N 1 1 326.440 2.716 40 0 EFABMO C[S@](=O)c1ccc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000096409084 473387588 /nfs/dbraw/zinc/38/75/88/473387588.db2.gz JCOMTZCVEHRYJX-MZNJEOGPSA-N 1 1 343.448 2.855 40 0 EFABMO C[S@](=O)c1ccc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000096409084 473387596 /nfs/dbraw/zinc/38/75/96/473387596.db2.gz JCOMTZCVEHRYJX-MZNJEOGPSA-N 1 1 343.448 2.855 40 0 EFABMO C[C@@H](C(=O)Nc1ccccc1-n1cncn1)[N@@H+]1CCc2ccccc2C1 ZINC000096412347 473391721 /nfs/dbraw/zinc/39/17/21/473391721.db2.gz JYBAWWAMUPCCNO-HNNXBMFYSA-N 1 1 347.422 2.653 40 0 EFABMO C[C@@H](C(=O)Nc1ccccc1-n1cncn1)[N@H+]1CCc2ccccc2C1 ZINC000096412347 473391728 /nfs/dbraw/zinc/39/17/28/473391728.db2.gz JYBAWWAMUPCCNO-HNNXBMFYSA-N 1 1 347.422 2.653 40 0 EFABMO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COc1ccccc1)CC2 ZINC000000518454 471367738 /nfs/dbraw/zinc/36/77/38/471367738.db2.gz KUYHKHWEQQKGIQ-KRWDZBQOSA-N 1 1 343.423 2.502 40 0 biogenic EFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COc1ccccc1)CC2 ZINC000000518454 471367744 /nfs/dbraw/zinc/36/77/44/471367744.db2.gz KUYHKHWEQQKGIQ-KRWDZBQOSA-N 1 1 343.423 2.502 40 0 biogenic EFABMO CN1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000000532340 471369041 /nfs/dbraw/zinc/36/90/41/471369041.db2.gz KYKIBSVDQXLYGU-UHFFFAOYSA-N 1 1 349.478 2.633 40 0 EFABMO COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000002554931 471411099 /nfs/dbraw/zinc/41/10/99/471411099.db2.gz WHFUDAOCYRYAKQ-LBPRGKRZSA-N 1 1 327.380 2.867 40 0 biogenic,in-vitro EFABMO COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000002554931 471411101 /nfs/dbraw/zinc/41/11/01/471411101.db2.gz WHFUDAOCYRYAKQ-LBPRGKRZSA-N 1 1 327.380 2.867 40 0 biogenic,in-vitro EFABMO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000002623487 471412930 /nfs/dbraw/zinc/41/29/30/471412930.db2.gz VZSFWPMJOOHIMX-QGZVFWFLSA-N 1 1 332.469 2.885 40 0 EFABMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12 ZINC000005105926 471486986 /nfs/dbraw/zinc/48/69/86/471486986.db2.gz WSOBKSJSQFYBNR-TUGJPZLJSA-N 1 1 342.439 2.636 40 0 EFABMO CCN(CC)C(=O)CN(Cc1ccccc1)c1cc(C)[nH+]c(C)n1 ZINC000005452808 471506699 /nfs/dbraw/zinc/50/66/99/471506699.db2.gz SCNAOORCPGEEMT-UHFFFAOYSA-N 1 1 326.444 2.968 40 0 EFABMO Cc1cc(N2CC[NH+](C)CC2)nc(SC(=O)c2ccc(F)cc2)n1 ZINC000005725056 471518733 /nfs/dbraw/zinc/51/87/33/471518733.db2.gz CZELWVMRRXJEMQ-UHFFFAOYSA-N 1 1 346.431 2.608 40 0 EFABMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000007486670 471617126 /nfs/dbraw/zinc/61/71/26/471617126.db2.gz QQNWTMRFLHDRLZ-LLVKDONJSA-N 1 1 335.473 2.539 40 0 EFABMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000007486670 471617131 /nfs/dbraw/zinc/61/71/31/471617131.db2.gz QQNWTMRFLHDRLZ-LLVKDONJSA-N 1 1 335.473 2.539 40 0 EFABMO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1F ZINC000008267183 471676844 /nfs/dbraw/zinc/67/68/44/471676844.db2.gz XWUQWDSRQZOLTG-UONOGXRCSA-N 1 1 333.407 2.986 40 0 EFABMO CO[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@@H+]2C)C1 ZINC000012142304 471766202 /nfs/dbraw/zinc/76/62/02/471766202.db2.gz HVSGHHYDGVBSCP-GFQSEFKGSA-N 1 1 335.473 2.978 40 0 EFABMO CO[C@@H]1CCC[C@@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@H+]2C)C1 ZINC000012142304 471766207 /nfs/dbraw/zinc/76/62/07/471766207.db2.gz HVSGHHYDGVBSCP-GFQSEFKGSA-N 1 1 335.473 2.978 40 0 EFABMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cc1 ZINC000012142455 471766389 /nfs/dbraw/zinc/76/63/89/471766389.db2.gz BPEHZVGLGTTZJB-QFBILLFUSA-N 1 1 336.439 2.575 40 0 EFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC000012183097 471767296 /nfs/dbraw/zinc/76/72/96/471767296.db2.gz QHZFOGDNLITSDF-OAHLLOKOSA-N 1 1 338.455 2.565 40 0 EFABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC000012183061 471767565 /nfs/dbraw/zinc/76/75/65/471767565.db2.gz ICMGDSZASDYBPS-UHFFFAOYSA-N 1 1 338.455 2.565 40 0 EFABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)CC1 ZINC000012185069 471767830 /nfs/dbraw/zinc/76/78/30/471767830.db2.gz GXCWRGUGHWWQCU-UHFFFAOYSA-N 1 1 344.484 2.626 40 0 EFABMO CC(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000013965097 471847382 /nfs/dbraw/zinc/84/73/82/471847382.db2.gz YKTIEGKRQLBPDO-OAHLLOKOSA-N 1 1 325.840 2.818 40 0 EFABMO O=C([C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1)N1CCCC1 ZINC000014673656 471875930 /nfs/dbraw/zinc/87/59/30/471875930.db2.gz VRCJPMRQMUBNHE-LJQANCHMSA-N 1 1 338.407 2.869 40 0 EFABMO CN(C(=O)C[NH+]1CCC(O)CC1)C(c1ccccc1)c1ccccc1 ZINC000015306899 471899338 /nfs/dbraw/zinc/89/93/38/471899338.db2.gz GKLPFQLHFFAJRT-UHFFFAOYSA-N 1 1 338.451 2.691 40 0 EFABMO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000016758620 471950121 /nfs/dbraw/zinc/95/01/21/471950121.db2.gz ISPHFZPMFSPCHK-KRWDZBQOSA-N 1 1 344.430 2.696 40 0 EFABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)OCCO2 ZINC000019712133 471983457 /nfs/dbraw/zinc/98/34/57/471983457.db2.gz OKAUWIHZKOQRPA-JKSUJKDBSA-N 1 1 330.428 2.547 40 0 EFABMO CNc1cc(C[N@@H+](C)CC(C)(C)C)nc([C@H]2CCCN2C(C)=O)n1 ZINC000019759910 471984943 /nfs/dbraw/zinc/98/49/43/471984943.db2.gz KVGJANGNAGMTSS-OAHLLOKOSA-N 1 1 333.480 2.680 40 0 EFABMO CC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000023991376 472041885 /nfs/dbraw/zinc/04/18/85/472041885.db2.gz COBXDSZRUKCOMK-GFCCVEGCSA-N 1 1 331.416 2.705 40 0 EFABMO CC[C@@H]1CCCC[N@H+]1Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000023991376 472041891 /nfs/dbraw/zinc/04/18/91/472041891.db2.gz COBXDSZRUKCOMK-GFCCVEGCSA-N 1 1 331.416 2.705 40 0 EFABMO c1ccc2c(c1)nncc2N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000041122899 472045562 /nfs/dbraw/zinc/04/55/62/472045562.db2.gz FCEJDLZKCPBEJW-UHFFFAOYSA-N 1 1 348.406 2.681 40 0 EFABMO CCN1CC[NH+](Cc2ccccc2CNC(=O)CC(C)(C)C)CC1 ZINC000041578045 472070602 /nfs/dbraw/zinc/07/06/02/472070602.db2.gz MXPPEOFAZFBLRO-UHFFFAOYSA-N 1 1 331.504 2.877 40 0 EFABMO CC[NH+]1CCN(c2c(C=O)c(Cl)nc3ccc(OC)cc32)CC1 ZINC000026440455 472136119 /nfs/dbraw/zinc/13/61/19/472136119.db2.gz CYZISEJABYDXCH-UHFFFAOYSA-N 1 1 333.819 2.851 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000075862089 472212588 /nfs/dbraw/zinc/21/25/88/472212588.db2.gz SQLYOORZGMLKSP-CYBMUJFWSA-N 1 1 329.366 2.704 40 0 EFABMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000085468218 472251853 /nfs/dbraw/zinc/25/18/53/472251853.db2.gz VJCKBMUMTUHZDD-HNNXBMFYSA-N 1 1 349.906 2.828 40 0 EFABMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)Nc2cccs2)CC1 ZINC000085468303 472252029 /nfs/dbraw/zinc/25/20/29/472252029.db2.gz RKUFYCKPMDVSJX-CQSZACIVSA-N 1 1 336.505 2.628 40 0 EFABMO Cc1csc(C(=O)N2CCC(C[N@@H+]3CCN(C)C[C@@H]3C)CC2)c1 ZINC000085468124 472252164 /nfs/dbraw/zinc/25/21/64/472252164.db2.gz HXIOKPOLMKOWHF-HNNXBMFYSA-N 1 1 335.517 2.545 40 0 EFABMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000085468211 472252460 /nfs/dbraw/zinc/25/24/60/472252460.db2.gz KYQMSCAJKFHCIW-HNNXBMFYSA-N 1 1 349.906 2.828 40 0 EFABMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000029712410 472290804 /nfs/dbraw/zinc/29/08/04/472290804.db2.gz DDQNLAGDQHTBGX-INIZCTEOSA-N 1 1 346.452 2.505 40 0 EFABMO COc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029154 472312754 /nfs/dbraw/zinc/31/27/54/472312754.db2.gz LBAOKEVPZLXSOR-QGZVFWFLSA-N 1 1 340.423 2.589 40 0 EFABMO COc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029154 472312761 /nfs/dbraw/zinc/31/27/61/472312761.db2.gz LBAOKEVPZLXSOR-QGZVFWFLSA-N 1 1 340.423 2.589 40 0 EFABMO CC(=O)Nc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000030029138 472312786 /nfs/dbraw/zinc/31/27/86/472312786.db2.gz IAVBWWLGBKCGKJ-IBGZPJMESA-N 1 1 337.423 2.774 40 0 EFABMO CC(=O)Nc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000030029138 472312792 /nfs/dbraw/zinc/31/27/92/472312792.db2.gz IAVBWWLGBKCGKJ-IBGZPJMESA-N 1 1 337.423 2.774 40 0 EFABMO C[N@H+](CCCOc1ccc(F)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000030268771 472321507 /nfs/dbraw/zinc/32/15/07/472321507.db2.gz TUGRGEOINDMFJY-KRWDZBQOSA-N 1 1 334.366 2.892 40 0 EFABMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000030268771 472321511 /nfs/dbraw/zinc/32/15/11/472321511.db2.gz TUGRGEOINDMFJY-KRWDZBQOSA-N 1 1 334.366 2.892 40 0 EFABMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000030499340 472335684 /nfs/dbraw/zinc/33/56/84/472335684.db2.gz WGSMBSIWNVFJKS-MRXNPFEDSA-N 1 1 338.860 2.921 40 0 EFABMO CCn1nc(C)cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076388907 472337171 /nfs/dbraw/zinc/33/71/71/472337171.db2.gz GLBNDSQBTKFOAO-KRWDZBQOSA-N 1 1 340.471 2.948 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000076472127 472352654 /nfs/dbraw/zinc/35/26/54/472352654.db2.gz WEMFGYJMXZCRSH-ICSRJNTNSA-N 1 1 343.515 2.666 40 0 EFABMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)CCCO)cc1F ZINC000088614222 472377582 /nfs/dbraw/zinc/37/75/82/472377582.db2.gz JMGVCICEMRQRHQ-STQMWFEESA-N 1 1 348.422 2.841 40 0 EFABMO Cc1cc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC000032267877 472420068 /nfs/dbraw/zinc/42/00/68/472420068.db2.gz BZXNDSRPLPWUHM-INIZCTEOSA-N 1 1 341.455 2.630 40 0 EFABMO Cc1cccc(N2CCC(NC(=O)CSc3ccncc3)CC2)[nH+]1 ZINC000116668300 472424897 /nfs/dbraw/zinc/42/48/97/472424897.db2.gz RXCMLEJIRNHFGL-UHFFFAOYSA-N 1 1 342.468 2.662 40 0 EFABMO C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)[N@@H+]1CCc2sccc2C1 ZINC000032428803 472433833 /nfs/dbraw/zinc/43/38/33/472433833.db2.gz YJEFIUKQLIZMNX-GUYCJALGSA-N 1 1 342.464 2.615 40 0 EFABMO C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)[N@H+]1CCc2sccc2C1 ZINC000032428803 472433839 /nfs/dbraw/zinc/43/38/39/472433839.db2.gz YJEFIUKQLIZMNX-GUYCJALGSA-N 1 1 342.464 2.615 40 0 EFABMO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cnccn1 ZINC000089555739 472458335 /nfs/dbraw/zinc/45/83/35/472458335.db2.gz NAHLFUOVKINFRP-WMZOPIPTSA-N 1 1 338.455 2.751 40 0 EFABMO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cnccn1 ZINC000089555741 472458563 /nfs/dbraw/zinc/45/85/63/472458563.db2.gz NAHLFUOVKINFRP-FUHWJXTLSA-N 1 1 338.455 2.751 40 0 EFABMO COc1ccc2cc(CN(C)C[C@@H]3CC[N@@H+](C)C3)c(OC)nc2c1 ZINC000057811503 472478606 /nfs/dbraw/zinc/47/86/06/472478606.db2.gz HUKWIGPYICQGLU-CQSZACIVSA-N 1 1 329.444 2.636 40 0 EFABMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234347 472485143 /nfs/dbraw/zinc/48/51/43/472485143.db2.gz BQKIJFBCRAWMNP-RDJZCZTQSA-N 1 1 331.464 2.663 40 0 EFABMO CC(C)[NH+]1CCC(N[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000097238273 472486540 /nfs/dbraw/zinc/48/65/40/472486540.db2.gz RKDGXXAFGLHXLF-CRAIPNDOSA-N 1 1 335.517 2.872 40 0 EFABMO CC(C)N1CCC([NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000097238273 472486544 /nfs/dbraw/zinc/48/65/44/472486544.db2.gz RKDGXXAFGLHXLF-CRAIPNDOSA-N 1 1 335.517 2.872 40 0 EFABMO CC(C)c1cccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)n1 ZINC000097370638 472492729 /nfs/dbraw/zinc/49/27/29/472492729.db2.gz FPLFBBVHJGGJMD-ZDUSSCGKSA-N 1 1 333.457 2.703 40 0 EFABMO Cc1csc(N2CCC[N@H+](Cc3cnccc3N(C)C)CC2)n1 ZINC000097377058 472494540 /nfs/dbraw/zinc/49/45/40/472494540.db2.gz JQYZZVYWVMHYCH-UHFFFAOYSA-N 1 1 331.489 2.625 40 0 EFABMO Cc1nc(N(C)C)sc1C[NH+]1CCN([C@H](C)c2ccccn2)CC1 ZINC000097379108 472494867 /nfs/dbraw/zinc/49/48/67/472494867.db2.gz BSTWADWFLKQCST-OAHLLOKOSA-N 1 1 345.516 2.791 40 0 EFABMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2n[nH]nc2c1 ZINC000058154218 472507615 /nfs/dbraw/zinc/50/76/15/472507615.db2.gz YHAKEOHJKIFDMR-KRWDZBQOSA-N 1 1 349.438 2.742 40 0 EFABMO c1ncn(C[C@H]([NH2+]Cc2cccc3c2OCCO3)c2ccccc2)n1 ZINC000077404397 472520980 /nfs/dbraw/zinc/52/09/80/472520980.db2.gz QIBOPZYOHRGCIW-KRWDZBQOSA-N 1 1 336.395 2.580 40 0 EFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1OC ZINC000072227083 472634303 /nfs/dbraw/zinc/63/43/03/472634303.db2.gz MOPFTJKIIMTZRG-SJORKVTESA-N 1 1 346.814 2.768 40 0 EFABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227262 472634654 /nfs/dbraw/zinc/63/46/54/472634654.db2.gz NVKUNTKADVGODZ-LSDHHAIUSA-N 1 1 347.212 2.873 40 0 EFABMO COc1cccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000072227907 472636301 /nfs/dbraw/zinc/63/63/01/472636301.db2.gz MTTFYUPIGSPULU-HOTGVXAUSA-N 1 1 332.787 2.772 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC000072388678 472663153 /nfs/dbraw/zinc/66/31/53/472663153.db2.gz UROAPFVEOLDLEV-MRXNPFEDSA-N 1 1 330.407 2.630 40 0 EFABMO CN(C)C(=O)c1cn[nH]c1[C@H]1CCC[N@@H+]1CCc1ccc(F)cc1 ZINC000072388678 472663155 /nfs/dbraw/zinc/66/31/55/472663155.db2.gz UROAPFVEOLDLEV-MRXNPFEDSA-N 1 1 330.407 2.630 40 0 EFABMO CN(C)C(=O)c1cn[nH]c1[C@H]1CCC[N@H+]1CCc1ccc(F)cc1 ZINC000072388678 472663159 /nfs/dbraw/zinc/66/31/59/472663159.db2.gz UROAPFVEOLDLEV-MRXNPFEDSA-N 1 1 330.407 2.630 40 0 EFABMO C[C@@H]1CN(Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000072394693 472663221 /nfs/dbraw/zinc/66/32/21/472663221.db2.gz RKNINMNFKNFZLA-OKILXGFUSA-N 1 1 328.460 2.639 40 0 EFABMO Fc1cc2ncnc(N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)c2cc1F ZINC000078303393 472691611 /nfs/dbraw/zinc/69/16/11/472691611.db2.gz ZEEMXXMUYPRTBB-XTQGRXLLSA-N 1 1 330.382 2.829 40 0 EFABMO Cc1nc(C[NH+]2CCC3(CC2)c2ccccc2N(C)C3=O)cs1 ZINC000104998188 472710820 /nfs/dbraw/zinc/71/08/20/472710820.db2.gz YSCXSGQOPINXAJ-UHFFFAOYSA-N 1 1 327.453 2.962 40 0 EFABMO COc1ccc(CNC(=S)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000105723465 472770901 /nfs/dbraw/zinc/77/09/01/472770901.db2.gz YANUBGBGZZCCFQ-LSDHHAIUSA-N 1 1 335.517 2.922 40 0 EFABMO CC(=O)NC1CCC([NH2+][C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000133291371 472789466 /nfs/dbraw/zinc/78/94/66/472789466.db2.gz FYBUCYNFAHYBNR-UWTIGNOOSA-N 1 1 328.416 2.835 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000073743057 472866164 /nfs/dbraw/zinc/86/61/64/472866164.db2.gz DDHBTZLDQXTPIE-ZDUSSCGKSA-N 1 1 344.242 2.532 40 0 EFABMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 ZINC000107203587 472934024 /nfs/dbraw/zinc/93/40/24/472934024.db2.gz SPCQSYFAZDFJLA-IKGGRYGDSA-N 1 1 345.516 2.713 40 0 EFABMO COc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCOCC4)C3)o2)cc1 ZINC000049170147 472934043 /nfs/dbraw/zinc/93/40/43/472934043.db2.gz IAYSPIKBXOMTIA-AWEZNQCLSA-N 1 1 329.400 2.714 40 0 biogenic,in-vitro EFABMO Cc1nc(CN2CC[N@@H+](C[C@H]3CCOC3)Cc3cccnc32)cs1 ZINC000107214917 472934084 /nfs/dbraw/zinc/93/40/84/472934084.db2.gz QELUBOHZKLFBBU-OAHLLOKOSA-N 1 1 344.484 2.705 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107226750 472934798 /nfs/dbraw/zinc/93/47/98/472934798.db2.gz WDNLJTAXRWXEAW-QAPCUYQASA-N 1 1 344.484 2.716 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nc1 ZINC000107228700 472935269 /nfs/dbraw/zinc/93/52/69/472935269.db2.gz BIYGMVOIBRKRIP-PBHICJAKSA-N 1 1 348.447 2.913 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)s1 ZINC000107226324 472935689 /nfs/dbraw/zinc/93/56/89/472935689.db2.gz PZKZPORFVLMSDI-RHSMWYFYSA-N 1 1 330.457 2.692 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)nc1 ZINC000107712620 472977283 /nfs/dbraw/zinc/97/72/83/472977283.db2.gz PSWGALZZAPIARI-QUCCMNQESA-N 1 1 339.439 2.927 40 0 EFABMO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)Nc1cccnc1 ZINC000107746013 472979466 /nfs/dbraw/zinc/97/94/66/472979466.db2.gz CEQDWPKAJZOLBT-BCDXTJNWSA-N 1 1 325.387 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000107731477 472979986 /nfs/dbraw/zinc/97/99/86/472979986.db2.gz CCTBFLIAOOSLLU-APWZRJJASA-N 1 1 342.443 2.638 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccsc2)C3)nc1 ZINC000107731198 472980473 /nfs/dbraw/zinc/98/04/73/472980473.db2.gz OBHLCDRQUBATGK-WBVHZDCISA-N 1 1 348.447 2.913 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107822042 472984964 /nfs/dbraw/zinc/98/49/64/472984964.db2.gz WGBMNJFLCDDFLK-PBHICJAKSA-N 1 1 348.447 2.831 40 0 EFABMO Cc1cccnc1C[N@H+]1CCC2(CC(NC(=O)c3ccncc3)C2)C1 ZINC000108530005 473035790 /nfs/dbraw/zinc/03/57/90/473035790.db2.gz OQHGQSCOTKMHSE-UHFFFAOYSA-N 1 1 336.439 2.570 40 0 EFABMO COCCN1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3C)CC2)C1=O ZINC000108526369 473035848 /nfs/dbraw/zinc/03/58/48/473035848.db2.gz WZOJPPACCGVSIT-HXUWFJFHSA-N 1 1 348.462 2.985 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530122 473036197 /nfs/dbraw/zinc/03/61/97/473036197.db2.gz INIVVPBLGMPUPM-QUCCMNQESA-N 1 1 343.471 2.936 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(C(=O)Nc2nc3c(s2)CCCC3)nn1 ZINC000075163857 473144089 /nfs/dbraw/zinc/14/40/89/473144089.db2.gz GOBANSZDVOYZRS-UHFFFAOYSA-N 1 1 340.412 2.558 40 0 EFABMO Cc1nnc2ccc(NC[C@@H]3CCC[N@H+](C)[C@H]3c3ccccc3)nn12 ZINC000110590838 473164269 /nfs/dbraw/zinc/16/42/69/473164269.db2.gz AHRGWWBWFOIISE-LPHOPBHVSA-N 1 1 336.443 2.928 40 0 EFABMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000110711188 473172786 /nfs/dbraw/zinc/17/27/86/473172786.db2.gz AIVDXXROGHJLOH-SJLPKXTDSA-N 1 1 348.397 2.571 40 0 EFABMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000110711188 473172792 /nfs/dbraw/zinc/17/27/92/473172792.db2.gz AIVDXXROGHJLOH-SJLPKXTDSA-N 1 1 348.397 2.571 40 0 EFABMO COc1c(C)c[nH+]c(CN2CCN([C@H](C)c3cccnc3)CC2)c1C ZINC000096424281 473402113 /nfs/dbraw/zinc/40/21/13/473402113.db2.gz HBFQNUUYYOYAPI-QGZVFWFLSA-N 1 1 340.471 2.981 40 0 EFABMO Cc1nc(C2CC[NH+]([C@H]3CCN(c4ccc(C)cc4)C3=O)CC2)no1 ZINC000096424171 473402994 /nfs/dbraw/zinc/40/29/94/473402994.db2.gz SFIQVEWFTSWHIL-KRWDZBQOSA-N 1 1 340.427 2.671 40 0 EFABMO COCC[N@H+]1CC[C@H](NC(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000096426450 473405403 /nfs/dbraw/zinc/40/54/03/473405403.db2.gz IKBKHKOTODAANT-ZDUSSCGKSA-N 1 1 348.468 2.669 40 0 EFABMO Cc1cc(N2CCN(c3cncc(Br)c3)CC2)nc(C)[nH+]1 ZINC000096429295 473408411 /nfs/dbraw/zinc/40/84/11/473408411.db2.gz INQDMPYMCRPAQL-UHFFFAOYSA-N 1 1 348.248 2.578 40 0 EFABMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096430899 473409480 /nfs/dbraw/zinc/40/94/80/473409480.db2.gz OXPSKNNQQNLIFW-ZDUSSCGKSA-N 1 1 340.427 2.638 40 0 EFABMO CC1CCC(O)(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)CC1 ZINC000096435775 473415200 /nfs/dbraw/zinc/41/52/00/473415200.db2.gz ZWEJNJXQGZPDAF-UHFFFAOYSA-N 1 1 336.501 2.837 40 0 EFABMO C[C@H]1C[C@@H](NCc2ccccc2C[N@@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437129 473416263 /nfs/dbraw/zinc/41/62/63/473416263.db2.gz DBXJAZGNDQBWLM-KBXCAEBGSA-N 1 1 328.412 2.705 40 0 EFABMO Cc1cnc(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000096440067 473418733 /nfs/dbraw/zinc/41/87/33/473418733.db2.gz RRMWKBGDEOUPBP-ZDUSSCGKSA-N 1 1 332.473 2.771 40 0 EFABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCOC1 ZINC000096440556 473418847 /nfs/dbraw/zinc/41/88/47/473418847.db2.gz ZWFPFPABFVXBPP-RTBURBONSA-N 1 1 345.487 2.719 40 0 EFABMO CSc1ccc(OCC[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000096441422 473419887 /nfs/dbraw/zinc/41/98/87/473419887.db2.gz POKGDIBRLBVYFO-HNNXBMFYSA-N 1 1 334.485 2.874 40 0 EFABMO Cc1nn(C)cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000096443923 473421853 /nfs/dbraw/zinc/42/18/53/473421853.db2.gz RXDAMEUXQNVSLB-AWEZNQCLSA-N 1 1 342.443 2.701 40 0 EFABMO CN(Cc1cnccn1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446797 473425007 /nfs/dbraw/zinc/42/50/07/473425007.db2.gz VTYWJHJTFAYYPA-GOSISDBHSA-N 1 1 342.418 2.629 40 0 EFABMO CN(Cc1cnccn1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446797 473425010 /nfs/dbraw/zinc/42/50/10/473425010.db2.gz VTYWJHJTFAYYPA-GOSISDBHSA-N 1 1 342.418 2.629 40 0 EFABMO CN(C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000096452098 473428565 /nfs/dbraw/zinc/42/85/65/473428565.db2.gz IGIHMBMIGJSZIN-INIZCTEOSA-N 1 1 339.443 2.515 40 0 EFABMO Cc1cc(N2CCC(NC(=O)CCc3ccsc3)CC2)nc(C)[nH+]1 ZINC000096454886 473431140 /nfs/dbraw/zinc/43/11/40/473431140.db2.gz IAHCUJCQSSKIJG-UHFFFAOYSA-N 1 1 344.484 2.873 40 0 EFABMO Cc1cc(N2CCC(NC(=O)NCc3ccsc3)CC2)nc(C)[nH+]1 ZINC000096455005 473431638 /nfs/dbraw/zinc/43/16/38/473431638.db2.gz QGOUREAISVKVPV-UHFFFAOYSA-N 1 1 345.472 2.623 40 0 EFABMO C[C@H](C[N@H+](C)C1CCN(C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466200 473434588 /nfs/dbraw/zinc/43/45/88/473434588.db2.gz ZOFNTYGVYUKALI-UPTPFMHGSA-N 1 1 344.565 2.642 40 0 EFABMO C[C@H](C[N@@H+](C)C1CCN(C2CCC(C)CC2)CC1)CS(C)(=O)=O ZINC000096466200 473434592 /nfs/dbraw/zinc/43/45/92/473434592.db2.gz ZOFNTYGVYUKALI-UPTPFMHGSA-N 1 1 344.565 2.642 40 0 EFABMO CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000096473622 473437543 /nfs/dbraw/zinc/43/75/43/473437543.db2.gz DPGVMIAPVMTGTQ-WBAXXEDZSA-N 1 1 332.444 2.533 40 0 EFABMO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000096483155 473441940 /nfs/dbraw/zinc/44/19/40/473441940.db2.gz IBHRBYFIXOVELR-JTQLQIEISA-N 1 1 342.798 2.691 40 0 EFABMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000096483155 473441945 /nfs/dbraw/zinc/44/19/45/473441945.db2.gz IBHRBYFIXOVELR-JTQLQIEISA-N 1 1 342.798 2.691 40 0 EFABMO Cc1ccc(C[NH2+]CC2(N(C)C)CCOCC2)c(Br)c1 ZINC000096483932 473442552 /nfs/dbraw/zinc/44/25/52/473442552.db2.gz VNUBUAOOCMYFGU-UHFFFAOYSA-N 1 1 341.293 2.958 40 0 EFABMO CC[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000096486591 473444412 /nfs/dbraw/zinc/44/44/12/473444412.db2.gz HOKCWPGYZLFBIT-OLZOCXBDSA-N 1 1 332.473 2.568 40 0 EFABMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485942 473444499 /nfs/dbraw/zinc/44/44/99/473444499.db2.gz WQHOGAYPOLSXLI-RCBQFDQVSA-N 1 1 340.826 2.767 40 0 EFABMO C[C@@H](C[N@H+](C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000096489420 473445890 /nfs/dbraw/zinc/44/58/90/473445890.db2.gz FKWLKNVXGATOIZ-SMDDNHRTSA-N 1 1 346.290 2.672 40 0 EFABMO C[C@@H](C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000096489420 473445896 /nfs/dbraw/zinc/44/58/96/473445896.db2.gz FKWLKNVXGATOIZ-SMDDNHRTSA-N 1 1 346.290 2.672 40 0 EFABMO C[C@H](O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000096495626 473450737 /nfs/dbraw/zinc/45/07/37/473450737.db2.gz WMLKZBPYNRHQGQ-HWWQOWPSSA-N 1 1 340.826 2.677 40 0 EFABMO Brc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)o1 ZINC000191094555 473476662 /nfs/dbraw/zinc/47/66/62/473476662.db2.gz LRJDVQVXIOZSFS-UHFFFAOYSA-N 1 1 325.210 2.546 40 0 EFABMO Cc1cc(N2CCC[C@@H](OC(=O)c3cnn(C(C)C)c3)C2)nc(C)[nH+]1 ZINC000191546002 473552686 /nfs/dbraw/zinc/55/26/86/473552686.db2.gz BPBRZTOGLXYYMV-MRXNPFEDSA-N 1 1 343.431 2.697 40 0 EFABMO CCCn1c(C)nnc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192145275 473636977 /nfs/dbraw/zinc/63/69/77/473636977.db2.gz UXLDIYTUBFXJAS-DOTOQJQBSA-N 1 1 336.386 2.895 40 0 EFABMO O=S1(=O)CC[C@@H]([N@H+](CCSCc2ccccc2)C2CC2)C1 ZINC000192669335 473702693 /nfs/dbraw/zinc/70/26/93/473702693.db2.gz LQZGGXPSAIXREH-MRXNPFEDSA-N 1 1 325.499 2.571 40 0 EFABMO O=S1(=O)CC[C@@H]([N@@H+](CCSCc2ccccc2)C2CC2)C1 ZINC000192669335 473702705 /nfs/dbraw/zinc/70/27/05/473702705.db2.gz LQZGGXPSAIXREH-MRXNPFEDSA-N 1 1 325.499 2.571 40 0 EFABMO CCn1cc(C[N@@H+]2CCCN(Cc3cccc(OC)c3F)CC2)cn1 ZINC000192951188 473750687 /nfs/dbraw/zinc/75/06/87/473750687.db2.gz BKMIYJDXSFUXHO-UHFFFAOYSA-N 1 1 346.450 2.759 40 0 EFABMO CCn1cc(C[N@H+]2CCCN(Cc3cccc(OC)c3F)CC2)cn1 ZINC000192951188 473750693 /nfs/dbraw/zinc/75/06/93/473750693.db2.gz BKMIYJDXSFUXHO-UHFFFAOYSA-N 1 1 346.450 2.759 40 0 EFABMO CC(=O)c1ccc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000180434188 473877188 /nfs/dbraw/zinc/87/71/88/473877188.db2.gz OMWJUWFBPIJLDC-GASCZTMLSA-N 1 1 331.460 2.610 40 0 EFABMO CC[C@@]1(C)CN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCO1 ZINC000188077063 473974260 /nfs/dbraw/zinc/97/42/60/473974260.db2.gz RVFJBIHVOXIPST-IBGZPJMESA-N 1 1 346.475 2.569 40 0 EFABMO Cc1ccc(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000188173836 474008154 /nfs/dbraw/zinc/00/81/54/474008154.db2.gz BOIQWBIZGYDEAI-IBGZPJMESA-N 1 1 344.480 2.766 40 0 EFABMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195267081 474043790 /nfs/dbraw/zinc/04/37/90/474043790.db2.gz NQVBJXQZCMJSHG-SFHVURJKSA-N 1 1 345.512 2.898 40 0 EFABMO CO[C@H]1CC[C@H]2OCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545667 474093119 /nfs/dbraw/zinc/09/31/19/474093119.db2.gz AUJAZJPXEWMURD-YLFCFFPRSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@H]1CC[C@H]2OCC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545667 474093124 /nfs/dbraw/zinc/09/31/24/474093124.db2.gz AUJAZJPXEWMURD-YLFCFFPRSA-N 1 1 325.836 2.642 40 0 EFABMO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000195554506 474094500 /nfs/dbraw/zinc/09/45/00/474094500.db2.gz JSPOWVULJIRHAV-IRXDYDNUSA-N 1 1 331.460 2.629 40 0 EFABMO CC[NH+]1CCN(C[C@H](C)CNc2cncc(Br)c2)CC1 ZINC000195575057 474098767 /nfs/dbraw/zinc/09/87/67/474098767.db2.gz QGIGPZCZRHLEPW-CYBMUJFWSA-N 1 1 341.297 2.530 40 0 EFABMO CCC[N@H+]1CCC[C@H]1c1nc(-c2cnn3c2nc(C)cc3C)no1 ZINC000195569958 474099247 /nfs/dbraw/zinc/09/92/47/474099247.db2.gz AGNBXKGMVCNJNB-AWEZNQCLSA-N 1 1 326.404 2.943 40 0 EFABMO Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)c2ccc(F)c(F)c2n1 ZINC000195580496 474102194 /nfs/dbraw/zinc/10/21/94/474102194.db2.gz ICAYLNZSAXPLBX-ZDUSSCGKSA-N 1 1 333.382 2.732 40 0 EFABMO CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000224680148 474199748 /nfs/dbraw/zinc/19/97/48/474199748.db2.gz AXFSFHONHUWIDA-LJQANCHMSA-N 1 1 348.443 2.719 40 0 EFABMO O=C(Cc1ccc(F)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224752981 474199914 /nfs/dbraw/zinc/19/99/14/474199914.db2.gz UDKABYMEJJONLV-UHFFFAOYSA-N 1 1 342.414 2.517 40 0 EFABMO CC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C ZINC000225406015 474208641 /nfs/dbraw/zinc/20/86/41/474208641.db2.gz JLXZMJSNQAJDBR-HZPDHXFCSA-N 1 1 347.484 2.996 40 0 EFABMO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000225394451 474209041 /nfs/dbraw/zinc/20/90/41/474209041.db2.gz SXBFIBHZPZGVKP-KRWDZBQOSA-N 1 1 332.492 2.663 40 0 EFABMO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000225394451 474209047 /nfs/dbraw/zinc/20/90/47/474209047.db2.gz SXBFIBHZPZGVKP-KRWDZBQOSA-N 1 1 332.492 2.663 40 0 EFABMO CC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C ZINC000225406058 474209464 /nfs/dbraw/zinc/20/94/64/474209464.db2.gz JLXZMJSNQAJDBR-HOTGVXAUSA-N 1 1 347.484 2.996 40 0 EFABMO CC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C ZINC000225406098 474210631 /nfs/dbraw/zinc/21/06/31/474210631.db2.gz JLXZMJSNQAJDBR-CVEARBPZSA-N 1 1 347.484 2.996 40 0 EFABMO CN1CCN(CCC(C)(C)[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000225465878 474214859 /nfs/dbraw/zinc/21/48/59/474214859.db2.gz UGYAYSJTSLREOC-UHFFFAOYSA-N 1 1 327.875 2.985 40 0 EFABMO CSc1cncc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000225513887 474219145 /nfs/dbraw/zinc/21/91/45/474219145.db2.gz OLYCYCLPMSHDAJ-MRXNPFEDSA-N 1 1 344.484 2.767 40 0 EFABMO O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCc2[nH]cnc2C1 ZINC000225511436 474219916 /nfs/dbraw/zinc/21/99/16/474219916.db2.gz YTQLHRDYOXHOQO-SNVBAGLBSA-N 1 1 339.317 2.730 40 0 EFABMO c1cncc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)c1 ZINC000247885474 474220206 /nfs/dbraw/zinc/22/02/06/474220206.db2.gz RLQPCGNWSFUARG-KRWDZBQOSA-N 1 1 334.485 2.585 40 0 EFABMO Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC000225522601 474221301 /nfs/dbraw/zinc/22/13/01/474221301.db2.gz LRGGKSLNPZNJMS-MRXNPFEDSA-N 1 1 336.439 2.903 40 0 EFABMO C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000225571315 474225369 /nfs/dbraw/zinc/22/53/69/474225369.db2.gz NQUJIBFSHIZXMR-QFBILLFUSA-N 1 1 345.487 2.585 40 0 EFABMO C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000225571288 474225935 /nfs/dbraw/zinc/22/59/35/474225935.db2.gz NQUJIBFSHIZXMR-LPHOPBHVSA-N 1 1 345.487 2.585 40 0 EFABMO COc1ncccc1CN1CCC[C@]2(C[C@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000248032732 474247528 /nfs/dbraw/zinc/24/75/28/474247528.db2.gz IOMFUNZZLXZSCQ-UZLBHIALSA-N 1 1 345.487 2.556 40 0 EFABMO COc1ncccc1CN1CCC[C@]2(C[C@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000248032732 474247534 /nfs/dbraw/zinc/24/75/34/474247534.db2.gz IOMFUNZZLXZSCQ-UZLBHIALSA-N 1 1 345.487 2.556 40 0 EFABMO CC1CCN(C(=O)[C@H]2C[N@@H+](C3CCCC3)Cc3ncn(C)c32)CC1 ZINC000248075428 474257250 /nfs/dbraw/zinc/25/72/50/474257250.db2.gz YRBYPQMKAWUGIK-INIZCTEOSA-N 1 1 330.476 2.520 40 0 EFABMO CC1CCN(C(=O)[C@H]2C[N@H+](C3CCCC3)Cc3ncn(C)c32)CC1 ZINC000248075428 474257256 /nfs/dbraw/zinc/25/72/56/474257256.db2.gz YRBYPQMKAWUGIK-INIZCTEOSA-N 1 1 330.476 2.520 40 0 EFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000248085880 474259049 /nfs/dbraw/zinc/25/90/49/474259049.db2.gz BIKJXHBBZGMCIA-MJGOQNOKSA-N 1 1 340.471 2.966 40 0 EFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000248085880 474259054 /nfs/dbraw/zinc/25/90/54/474259054.db2.gz BIKJXHBBZGMCIA-MJGOQNOKSA-N 1 1 340.471 2.966 40 0 EFABMO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C ZINC000230464356 474260795 /nfs/dbraw/zinc/26/07/95/474260795.db2.gz JSPOWVULJIRHAV-DLBZAZTESA-N 1 1 331.460 2.629 40 0 EFABMO C[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[N@@H+](C)Cc1cccnc1 ZINC000248128814 474263742 /nfs/dbraw/zinc/26/37/42/474263742.db2.gz PSMGYCXHCXOEDX-RXABAKJHSA-N 1 1 327.472 2.797 40 0 EFABMO C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000248161848 474274565 /nfs/dbraw/zinc/27/45/65/474274565.db2.gz XXZZFTWLJBTBND-BBRMVZONSA-N 1 1 332.835 2.613 40 0 EFABMO C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000248161848 474274573 /nfs/dbraw/zinc/27/45/73/474274573.db2.gz XXZZFTWLJBTBND-BBRMVZONSA-N 1 1 332.835 2.613 40 0 EFABMO COc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221897 474342566 /nfs/dbraw/zinc/34/25/66/474342566.db2.gz SVGWSHQWTWDSEB-QFBILLFUSA-N 1 1 340.471 2.970 40 0 EFABMO Cn1cc(-c2cc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)on2)cn1 ZINC000249001108 474502902 /nfs/dbraw/zinc/50/29/02/474502902.db2.gz MZIYYOPIOIVPCF-RHSMWYFYSA-N 1 1 342.399 2.756 40 0 EFABMO Cn1cc[nH+]c1N1CCC(Nc2ncnc3ccc(F)cc32)CC1 ZINC000240551631 474550323 /nfs/dbraw/zinc/55/03/23/474550323.db2.gz GVAGUVPBPZBIST-UHFFFAOYSA-N 1 1 326.379 2.583 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CC[C@H]1CCOC1=O ZINC000249301663 474555635 /nfs/dbraw/zinc/55/56/35/474555635.db2.gz NSUPBLUQZXBJMS-NUJGCVRESA-N 1 1 330.472 2.686 40 0 EFABMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245266887 474572487 /nfs/dbraw/zinc/57/24/87/474572487.db2.gz KNUMYPWPQPYLBT-YCPHGPKFSA-N 1 1 329.444 2.625 40 0 EFABMO O=C(c1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245339197 474574233 /nfs/dbraw/zinc/57/42/33/474574233.db2.gz RDSUPURHQBAGSY-IWEFOYFVSA-N 1 1 327.403 2.863 40 0 EFABMO Cc1cccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1C ZINC000245339513 474574257 /nfs/dbraw/zinc/57/42/57/474574257.db2.gz UDFMVZKKXAOYAG-YESZJQIVSA-N 1 1 331.460 2.527 40 0 EFABMO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000245344177 474575025 /nfs/dbraw/zinc/57/50/25/474575025.db2.gz XXWCEVFUUALOIO-WDYCEAGBSA-N 1 1 338.455 2.794 40 0 EFABMO c1ccc(COc2cccc(C[N@@H+]3CCCC4(C3)OCCO4)c2)nc1 ZINC000184721155 474594234 /nfs/dbraw/zinc/59/42/34/474594234.db2.gz VWYRYVTVVWGLGA-UHFFFAOYSA-N 1 1 340.423 3.000 40 0 EFABMO c1ccc(COc2cccc(C[N@H+]3CCCC4(C3)OCCO4)c2)nc1 ZINC000184721155 474594240 /nfs/dbraw/zinc/59/42/40/474594240.db2.gz VWYRYVTVVWGLGA-UHFFFAOYSA-N 1 1 340.423 3.000 40 0 EFABMO OCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000272281659 474607116 /nfs/dbraw/zinc/60/71/16/474607116.db2.gz FNIGMKZVEKXIQV-WOJBJXKFSA-N 1 1 327.424 2.503 40 0 EFABMO OCc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000272281659 474607120 /nfs/dbraw/zinc/60/71/20/474607120.db2.gz FNIGMKZVEKXIQV-WOJBJXKFSA-N 1 1 327.424 2.503 40 0 EFABMO CC(C)c1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000250584058 474633601 /nfs/dbraw/zinc/63/36/01/474633601.db2.gz XUKODHOJSYWPDW-FUHWJXTLSA-N 1 1 344.455 2.679 40 0 EFABMO CC(C)c1ccc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@H]3NC2=O)cc1 ZINC000250566866 474633702 /nfs/dbraw/zinc/63/37/02/474633702.db2.gz DVFBSNHJPJFBLZ-ZACQAIPSSA-N 1 1 329.444 2.538 40 0 EFABMO CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252484698 474669751 /nfs/dbraw/zinc/66/97/51/474669751.db2.gz GEYZLWLMUAZWTP-QZTJIDSGSA-N 1 1 345.487 2.908 40 0 EFABMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000252486430 474673882 /nfs/dbraw/zinc/67/38/82/474673882.db2.gz JZVVMKUCLPCLNV-KDOFPFPSSA-N 1 1 338.455 2.814 40 0 EFABMO CCc1nc(N2CCC(NC(=O)NC3CCCCC3)CC2)cc(C)[nH+]1 ZINC000252489742 474674909 /nfs/dbraw/zinc/67/49/09/474674909.db2.gz JYYZUQULGTZOOM-UHFFFAOYSA-N 1 1 345.491 2.948 40 0 EFABMO COC(=O)CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252511300 474690005 /nfs/dbraw/zinc/69/00/05/474690005.db2.gz ZXGVCFUBRPSVAM-NVXWUHKLSA-N 1 1 346.471 2.745 40 0 EFABMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@@H](C)C1 ZINC000253404265 474739628 /nfs/dbraw/zinc/73/96/28/474739628.db2.gz IHMGFIHYGMMVKP-LRDDRELGSA-N 1 1 334.851 2.790 40 0 EFABMO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000253417109 474742635 /nfs/dbraw/zinc/74/26/35/474742635.db2.gz RFPFHASDVDPAOT-CQSZACIVSA-N 1 1 332.835 2.733 40 0 EFABMO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000253417428 474745942 /nfs/dbraw/zinc/74/59/42/474745942.db2.gz KCPOPRIAZRSKDK-HOCLYGCPSA-N 1 1 325.474 2.903 40 0 EFABMO CCS(=O)(=O)CC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000253417428 474745947 /nfs/dbraw/zinc/74/59/47/474745947.db2.gz KCPOPRIAZRSKDK-HOCLYGCPSA-N 1 1 325.474 2.903 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000253419922 474746816 /nfs/dbraw/zinc/74/68/16/474746816.db2.gz DYGDUMWMNDGAAH-WMZOPIPTSA-N 1 1 346.471 2.545 40 0 EFABMO Cc1nc2c(cccc2C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000253421133 474749739 /nfs/dbraw/zinc/74/97/39/474749739.db2.gz QTYRRXGJVWCGSA-IRXDYDNUSA-N 1 1 335.407 2.964 40 0 EFABMO Cc1ccc(F)cc1C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000253426308 474750586 /nfs/dbraw/zinc/75/05/86/474750586.db2.gz SNWILUZRBZAYBL-ZDUSSCGKSA-N 1 1 336.432 2.975 40 0 EFABMO c1cc2n(n1)C[C@H](OCC1CCCC1)C[N@H+](CC1CCOCC1)C2 ZINC000253478346 474761458 /nfs/dbraw/zinc/76/14/58/474761458.db2.gz KMNYWFOVSMRGAP-LJQANCHMSA-N 1 1 333.476 2.701 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2N1CC1CC1 ZINC000306127708 474806744 /nfs/dbraw/zinc/80/67/44/474806744.db2.gz GFGOEDLLSCGTQG-IRXDYDNUSA-N 1 1 327.453 2.841 40 0 EFABMO COc1ccc(-c2cccc3nc([C@H]4C[N@H+](C)CCN4C)cn32)cc1 ZINC000306124473 474807420 /nfs/dbraw/zinc/80/74/20/474807420.db2.gz BQRMVCGIYINCJW-LJQANCHMSA-N 1 1 336.439 2.928 40 0 EFABMO COc1ccc(-c2cccc3nc([C@H]4C[N@@H+](C)CCN4C)cn32)cc1 ZINC000306124473 474807430 /nfs/dbraw/zinc/80/74/30/474807430.db2.gz BQRMVCGIYINCJW-LJQANCHMSA-N 1 1 336.439 2.928 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131440 474808822 /nfs/dbraw/zinc/80/88/22/474808822.db2.gz KELMZXSFABIMMJ-MOPGFXCFSA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131440 474808829 /nfs/dbraw/zinc/80/88/29/474808829.db2.gz KELMZXSFABIMMJ-MOPGFXCFSA-N 1 1 348.406 2.558 40 0 EFABMO CCC[NH+]1CCC([N@@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135942 474810422 /nfs/dbraw/zinc/81/04/22/474810422.db2.gz PEZVVCFAXYMTME-QFBILLFUSA-N 1 1 342.487 2.709 40 0 EFABMO CCCN1CCC([N@@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135942 474810432 /nfs/dbraw/zinc/81/04/32/474810432.db2.gz PEZVVCFAXYMTME-QFBILLFUSA-N 1 1 342.487 2.709 40 0 EFABMO CCCN1CCC([N@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]32)CC1 ZINC000306135942 474810437 /nfs/dbraw/zinc/81/04/37/474810437.db2.gz PEZVVCFAXYMTME-QFBILLFUSA-N 1 1 342.487 2.709 40 0 EFABMO Cn1cc(C[N@@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132749 474810655 /nfs/dbraw/zinc/81/06/55/474810655.db2.gz LQZGHNKFJDDYIA-MSOLQXFVSA-N 1 1 333.439 2.588 40 0 EFABMO CC(C)CC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)CC[N@H+]2C ZINC000306144942 474811345 /nfs/dbraw/zinc/81/13/45/474811345.db2.gz ZSWCTUTVYUTPJL-QGZVFWFLSA-N 1 1 345.487 2.567 40 0 EFABMO CC(C)CC(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)CC[N@H+]2C ZINC000306144941 474812061 /nfs/dbraw/zinc/81/20/61/474812061.db2.gz ZSWCTUTVYUTPJL-KRWDZBQOSA-N 1 1 345.487 2.567 40 0 EFABMO CCCCC(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CC[N@H+]2C ZINC000306139853 474812216 /nfs/dbraw/zinc/81/22/16/474812216.db2.gz UCKTUEZTZWINLS-SFHVURJKSA-N 1 1 345.487 2.711 40 0 EFABMO c1csc(C[N@H+]2CCO[C@@]3(C2)CCCN(c2ncccn2)CC3)c1 ZINC000306137615 474812268 /nfs/dbraw/zinc/81/22/68/474812268.db2.gz RBJSEYRIPDGROO-SFHVURJKSA-N 1 1 344.484 2.800 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](Cc2ccc(C)nc2)C1 ZINC000257281304 474930306 /nfs/dbraw/zinc/93/03/06/474930306.db2.gz OONUPSVZGHLZAU-QGZVFWFLSA-N 1 1 326.444 2.630 40 0 EFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257286215 474931436 /nfs/dbraw/zinc/93/14/36/474931436.db2.gz PKTFGOLMGITEKL-HNNXBMFYSA-N 1 1 329.448 2.601 40 0 EFABMO Fc1cccnc1C[N@@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257286616 474931846 /nfs/dbraw/zinc/93/18/46/474931846.db2.gz PMFWNDMAMHQPLS-OAHLLOKOSA-N 1 1 340.402 2.560 40 0 EFABMO Fc1cccnc1C[N@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257286616 474931854 /nfs/dbraw/zinc/93/18/54/474931854.db2.gz PMFWNDMAMHQPLS-OAHLLOKOSA-N 1 1 340.402 2.560 40 0 EFABMO CC(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@H+]2CCO ZINC000257305246 474942518 /nfs/dbraw/zinc/94/25/18/474942518.db2.gz SPBNYQFXCPTLPD-UFYCRDLUSA-N 1 1 330.472 2.976 40 0 EFABMO Cn1nccc1C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257302290 474944000 /nfs/dbraw/zinc/94/40/00/474944000.db2.gz SCIUYXPWRHWWBP-MRXNPFEDSA-N 1 1 325.412 2.857 40 0 EFABMO Cc1cc(C)nc([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257308580 474945340 /nfs/dbraw/zinc/94/53/40/474945340.db2.gz TXGWDAMUVIIPIR-INIZCTEOSA-N 1 1 325.412 2.854 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](Oc3ccc(F)cc3)CC2)cn1 ZINC000257307360 474945515 /nfs/dbraw/zinc/94/55/15/474945515.db2.gz SYHWSBORMHWGSY-OALUTQOASA-N 1 1 330.403 2.933 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257312395 474947859 /nfs/dbraw/zinc/94/78/59/474947859.db2.gz UNTCMOFXBZZEJK-IRXDYDNUSA-N 1 1 336.432 2.995 40 0 EFABMO CC(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1O ZINC000257310092 474947896 /nfs/dbraw/zinc/94/78/96/474947896.db2.gz UDQMYALFIDSVGU-HOTGVXAUSA-N 1 1 342.842 2.577 40 0 EFABMO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)CC[C@@H]1O ZINC000257310092 474947910 /nfs/dbraw/zinc/94/79/10/474947910.db2.gz UDQMYALFIDSVGU-HOTGVXAUSA-N 1 1 342.842 2.577 40 0 EFABMO Cn1cc(CN2CC[N@@H+](C)C[C@@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316623 474948690 /nfs/dbraw/zinc/94/86/90/474948690.db2.gz VGJCDWDPXRSQDO-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@@H+]2CCN(C)C[C@@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316623 474948702 /nfs/dbraw/zinc/94/87/02/474948702.db2.gz VGJCDWDPXRSQDO-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@H+]2CCN(C)C[C@@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316623 474948707 /nfs/dbraw/zinc/94/87/07/474948707.db2.gz VGJCDWDPXRSQDO-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2ccc(F)cc2)[C@H]1O ZINC000257317205 474948768 /nfs/dbraw/zinc/94/87/68/474948768.db2.gz VIUMMSSBIOKKCS-ZHALLVOQSA-N 1 1 345.418 2.534 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257314727 474949136 /nfs/dbraw/zinc/94/91/36/474949136.db2.gz UYFGLSOKEMJFAV-INIZCTEOSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1cccc(C[NH+]2CCC(Cc3cnc(CN(C)C)cn3)CC2)n1 ZINC000257315670 474949878 /nfs/dbraw/zinc/94/98/78/474949878.db2.gz VCJDKSBSZBTAJY-UHFFFAOYSA-N 1 1 339.487 2.696 40 0 EFABMO CN(CC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C)Cc1ccc(F)cc1 ZINC000257318088 474951606 /nfs/dbraw/zinc/95/16/06/474951606.db2.gz VMLQQBPWLNPUGH-ICSRJNTNSA-N 1 1 347.478 2.733 40 0 EFABMO CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257332991 474958624 /nfs/dbraw/zinc/95/86/24/474958624.db2.gz XZPIHLWPPSPGSN-LKCYJCQHSA-N 1 1 330.476 2.941 40 0 EFABMO Cc1cc(C)n(CCCC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257333554 474960052 /nfs/dbraw/zinc/96/00/52/474960052.db2.gz YCBASJYLPWWLBR-LJQANCHMSA-N 1 1 340.471 2.795 40 0 EFABMO Cc1cc(C)n(CCCC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257333554 474960059 /nfs/dbraw/zinc/96/00/59/474960059.db2.gz YCBASJYLPWWLBR-LJQANCHMSA-N 1 1 340.471 2.795 40 0 EFABMO CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(CNC(C)=O)cn2)cn1 ZINC000257332398 474960217 /nfs/dbraw/zinc/96/02/17/474960217.db2.gz XXDVIFUQAOCUNS-IBGZPJMESA-N 1 1 341.459 2.661 40 0 EFABMO CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc(CNC(C)=O)cn2)cn1 ZINC000257332398 474960224 /nfs/dbraw/zinc/96/02/24/474960224.db2.gz XXDVIFUQAOCUNS-IBGZPJMESA-N 1 1 341.459 2.661 40 0 EFABMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c(C)n1 ZINC000257336972 474962283 /nfs/dbraw/zinc/96/22/83/474962283.db2.gz YQVYLDNDBOTYGT-IBGZPJMESA-N 1 1 341.459 2.580 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257341064 474964176 /nfs/dbraw/zinc/96/41/76/474964176.db2.gz ZISFJDXFYSLPNO-INIZCTEOSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1ccnc1C[N@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257341064 474964180 /nfs/dbraw/zinc/96/41/80/474964180.db2.gz ZISFJDXFYSLPNO-INIZCTEOSA-N 1 1 325.412 2.857 40 0 EFABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 ZINC000257344759 474964729 /nfs/dbraw/zinc/96/47/29/474964729.db2.gz ZYOZVMBAESOUFC-MRXNPFEDSA-N 1 1 341.459 2.660 40 0 EFABMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000332826297 475754733 /nfs/dbraw/zinc/75/47/33/475754733.db2.gz KPBBQIVUOKHPGT-RDJZCZTQSA-N 1 1 348.397 2.950 40 0 EFABMO Cc1ncc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000332826297 475754740 /nfs/dbraw/zinc/75/47/40/475754740.db2.gz KPBBQIVUOKHPGT-RDJZCZTQSA-N 1 1 348.397 2.950 40 0 EFABMO CC(C)Oc1cccc(CN(C)c2cc[nH+]c(N3CCOCC3)n2)c1 ZINC000353273629 475823893 /nfs/dbraw/zinc/82/38/93/475823893.db2.gz DOOQCAXSCHKFOS-UHFFFAOYSA-N 1 1 342.443 2.737 40 0 EFABMO CN(Cc1ccc(Cl)c(F)c1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000353295239 475844331 /nfs/dbraw/zinc/84/43/31/475844331.db2.gz VCWKKOANUILSAJ-UHFFFAOYSA-N 1 1 336.798 2.742 40 0 EFABMO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289357 479020603 /nfs/dbraw/zinc/02/06/03/479020603.db2.gz IVAUOKOQYBBWSX-ZBFHGGJFSA-N 1 1 336.382 2.782 40 0 biogenic,in-vitro EFABMO CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C(C)(C)C1 ZINC000514288733 479020814 /nfs/dbraw/zinc/02/08/14/479020814.db2.gz DIKCWRNZTMATGS-GOSISDBHSA-N 1 1 329.488 2.563 40 0 biogenic,in-vitro EFABMO C[C@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1CC1CC1 ZINC000585097919 479281920 /nfs/dbraw/zinc/28/19/20/479281920.db2.gz PDKUXLMDPJFIRQ-LBPRGKRZSA-N 1 1 347.850 2.562 40 0 EFABMO CNC(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000585099092 479282507 /nfs/dbraw/zinc/28/25/07/479282507.db2.gz KUNVHXHYNQETFI-OAHLLOKOSA-N 1 1 336.439 2.738 40 0 EFABMO CNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000585099092 479282509 /nfs/dbraw/zinc/28/25/09/479282509.db2.gz KUNVHXHYNQETFI-OAHLLOKOSA-N 1 1 336.439 2.738 40 0 EFABMO COCC(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100154 479282982 /nfs/dbraw/zinc/28/29/82/479282982.db2.gz GURKTMIHGPFFJX-IBGZPJMESA-N 1 1 334.435 2.819 40 0 EFABMO COCC[N@H+]1CC[C@]12CCCN(C(=O)C1(c3ccc(C)cc3)CC1)C2 ZINC000585101929 479283091 /nfs/dbraw/zinc/28/30/91/479283091.db2.gz LVHPJOIJFUNZHB-FQEVSTJZSA-N 1 1 342.483 2.740 40 0 EFABMO CC[N@@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC000585103088 479284863 /nfs/dbraw/zinc/28/48/63/479284863.db2.gz CPOUTDGAUIOLLG-SFHVURJKSA-N 1 1 330.472 2.958 40 0 EFABMO Cc1ccc(C)c(C[N@@H+]2CCOC[C@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104679 479286296 /nfs/dbraw/zinc/28/62/96/479286296.db2.gz QTPMQYVAUUPJEM-HXUWFJFHSA-N 1 1 330.472 2.763 40 0 EFABMO O=C(NCC[C@@H]1C[N@@H+](CC2CCC2)Cc2ccnn21)c1ccsc1 ZINC000585111831 479288397 /nfs/dbraw/zinc/28/83/97/479288397.db2.gz CMVKRXNXMDWETB-MRXNPFEDSA-N 1 1 344.484 2.922 40 0 EFABMO C[N@H+]1CCCN(C(=O)c2cccc(Cc3cccc(F)c3)n2)CC1 ZINC000585178777 479301950 /nfs/dbraw/zinc/30/19/50/479301950.db2.gz FPECWCQMRZBRHE-UHFFFAOYSA-N 1 1 327.403 2.589 40 0 EFABMO Cc1nccc(C[N@H+]2CC[C@@H](O)[C@H](Cc3ccc(Cl)cc3)C2)n1 ZINC000585269252 479303876 /nfs/dbraw/zinc/30/38/76/479303876.db2.gz MWSVQIBVEJISTG-CRAIPNDOSA-N 1 1 331.847 2.864 40 0 EFABMO CO[C@@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585275693 479304678 /nfs/dbraw/zinc/30/46/78/479304678.db2.gz DKLDSCFNBSBLMT-SFHVURJKSA-N 1 1 331.391 2.594 40 0 EFABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C[C@H]1Cc1ccccc1 ZINC000585277861 479306725 /nfs/dbraw/zinc/30/67/25/479306725.db2.gz WUFHSHORUZHBJD-QZTJIDSGSA-N 1 1 339.439 2.600 40 0 EFABMO CO[C@]1(COc2ccccc2C)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585278366 479307444 /nfs/dbraw/zinc/30/74/44/479307444.db2.gz RMGUPCWCKXKSRF-LJQANCHMSA-N 1 1 327.428 2.763 40 0 EFABMO CNc1ncccc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 ZINC000585279885 479308468 /nfs/dbraw/zinc/30/84/68/479308468.db2.gz SIUFCCUWFVRDIU-QAPCUYQASA-N 1 1 329.419 2.688 40 0 EFABMO O[C@]1(COc2ccc(Cl)cc2)COCC[N@H+](C2CCCC2)C1 ZINC000585281711 479308600 /nfs/dbraw/zinc/30/86/00/479308600.db2.gz PXLYQPGBIIFAGK-KRWDZBQOSA-N 1 1 325.836 2.725 40 0 EFABMO CN1CCC[N@H+]([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585290649 479310347 /nfs/dbraw/zinc/31/03/47/479310347.db2.gz ZLGDYUAEELERLT-RCCFBDPRSA-N 1 1 338.879 2.638 40 0 EFABMO Cc1nc(NC[C@H]2CCC[N@H+](C(C)C)C2)cc(-c2cccnc2)n1 ZINC000599710202 479403018 /nfs/dbraw/zinc/40/30/18/479403018.db2.gz AZCKGAMUXPGCIM-MRXNPFEDSA-N 1 1 325.460 3.379 40 0 EFABMO c1[nH]nc(-c2ccccc2)c1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000183665693 534462402 /nfs/dbraw/zinc/46/24/02/534462402.db2.gz CTASNNRRQRTWNK-UHFFFAOYSA-N 1 1 333.439 2.790 40 0 EFABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(F)cc1 ZINC000261960014 524816688 /nfs/dbraw/zinc/81/66/88/524816688.db2.gz MITFXLMTGXIZFX-QGZVFWFLSA-N 1 1 328.387 2.550 40 0 EFABMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000245316728 536474907 /nfs/dbraw/zinc/47/49/07/536474907.db2.gz KJZIICMAGKMOKZ-JFIYKMOQSA-N 1 1 343.471 2.678 40 0 EFABMO CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)n(C)n1 ZINC000257258114 535358573 /nfs/dbraw/zinc/35/85/73/535358573.db2.gz KSLCBXVNJURDCC-KUZCPNRJSA-N 1 1 330.476 2.631 40 0 EFABMO C[N@@H+](CCC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1ccccn1 ZINC000257259227 536303823 /nfs/dbraw/zinc/30/38/23/536303823.db2.gz KXKAKVIRGDLNGZ-OAHLLOKOSA-N 1 1 344.484 2.766 40 0 EFABMO C[N@@H+]1CCN(C(=O)CCc2cc(Cl)no2)C[C@H]1c1ccccc1 ZINC000257277560 536403759 /nfs/dbraw/zinc/40/37/59/536403759.db2.gz NYLFDLGROHEFQK-HNNXBMFYSA-N 1 1 333.819 2.776 40 0 EFABMO C[N@H+]1CCN(C(=O)CCc2cc(Cl)no2)C[C@H]1c1ccccc1 ZINC000257277560 536403762 /nfs/dbraw/zinc/40/37/62/536403762.db2.gz NYLFDLGROHEFQK-HNNXBMFYSA-N 1 1 333.819 2.776 40 0 EFABMO CO[C@H]1CCCOC12CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC000257239961 536713800 /nfs/dbraw/zinc/71/38/00/536713800.db2.gz HRPGDEGLXOUXHG-INIZCTEOSA-N 1 1 349.475 2.583 40 0 EFABMO O=C1NCCC[N@H+](Cc2ccc3c(n2)CCC3)[C@H]1Cc1ccccc1 ZINC000656630332 546869853 /nfs/dbraw/zinc/86/98/53/546869853.db2.gz WKSXZZFQOWCKET-FQEVSTJZSA-N 1 1 335.451 2.504 40 0 EFABMO O=C1NCCC[N@@H+](Cc2ccc3c(n2)CCC3)[C@H]1Cc1ccccc1 ZINC000656630332 546869858 /nfs/dbraw/zinc/86/98/58/546869858.db2.gz WKSXZZFQOWCKET-FQEVSTJZSA-N 1 1 335.451 2.504 40 0 EFABMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000146230747 1296574605 /nfs/dbraw/zinc/57/46/05/1296574605.db2.gz FPLKLNINPXCYAO-FQEVSTJZSA-N 1 1 338.451 2.936 40 0 EFABMO Brc1cnc([C@@H]2CCCN2c2[nH+]cnc3[nH]ccc32)nc1 ZINC000895716975 724277024 /nfs/dbraw/zinc/27/70/24/724277024.db2.gz LDMLVCZUPOGLNS-NSHDSACASA-N 1 1 345.204 2.852 40 0 EFABMO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(F)cn1)CC2 ZINC000183546149 282118940 /nfs/dbraw/zinc/11/89/40/282118940.db2.gz HSDXDUXHIHCHGH-QFBILLFUSA-N 1 1 337.402 2.815 40 0 EFABMO Cc1ccccc1N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000054153028 214220861 /nfs/dbraw/zinc/22/08/61/214220861.db2.gz WXJKRBNQJLOILV-UHFFFAOYSA-N 1 1 348.450 2.596 40 0 EFABMO Cc1noc2nc(C)cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c12 ZINC000055193749 214285858 /nfs/dbraw/zinc/28/58/58/214285858.db2.gz RQNKNIYBKUSMNC-CYBMUJFWSA-N 1 1 330.432 2.834 40 0 EFABMO CC[C@]1(C)CN(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)CCO1 ZINC000188135404 529402995 /nfs/dbraw/zinc/40/29/95/529402995.db2.gz FLJNAUQUQRDFDN-LJQANCHMSA-N 1 1 346.475 2.569 40 0 EFABMO Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)nc(N)[nH+]1 ZINC000098086055 219081338 /nfs/dbraw/zinc/08/13/38/219081338.db2.gz RJUDFXSDFVPVDV-UHFFFAOYSA-N 1 1 334.383 2.945 40 0 EFABMO O=c1c2c([nH]c3cc(-c4ccco4)nn31)CC[N@@H+](Cc1cccnc1)C2 ZINC000100752966 219105671 /nfs/dbraw/zinc/10/56/71/219105671.db2.gz LHFXHKIAJDNPDC-UHFFFAOYSA-N 1 1 347.378 2.648 40 0 EFABMO O=c1c2c([nH]c3cc(-c4ccco4)nn31)CC[N@H+](Cc1cccnc1)C2 ZINC000100752966 219105673 /nfs/dbraw/zinc/10/56/73/219105673.db2.gz LHFXHKIAJDNPDC-UHFFFAOYSA-N 1 1 347.378 2.648 40 0 EFABMO CCOC(=O)N1CC[NH+](CCCCOc2cccc(N(C)C)c2)CC1 ZINC000004429343 210192454 /nfs/dbraw/zinc/19/24/54/210192454.db2.gz DEABUCNPZMEHIY-UHFFFAOYSA-N 1 1 349.475 2.686 40 0 EFABMO O=C(c1ncncc1Cl)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000178610704 232300516 /nfs/dbraw/zinc/30/05/16/232300516.db2.gz ZTAYFVXRXRHLNY-CYBMUJFWSA-N 1 1 328.803 2.755 40 0 EFABMO Cc1noc(C)c1C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000066732979 215074204 /nfs/dbraw/zinc/07/42/04/215074204.db2.gz DAECZVHSIUTTNG-CQSZACIVSA-N 1 1 330.388 2.524 40 0 EFABMO COc1ccc(OCc2ccccn2)c(C[NH2+]Cc2ccnn2C)c1 ZINC000067448791 215148296 /nfs/dbraw/zinc/14/82/96/215148296.db2.gz SNEFZOOFTDHBED-UHFFFAOYSA-N 1 1 338.411 2.693 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccncc2)cc1F ZINC000067646467 215171445 /nfs/dbraw/zinc/17/14/45/215171445.db2.gz RLRJEMNNTVBZKU-UHFFFAOYSA-N 1 1 339.374 2.714 40 0 EFABMO O=C(CCn1ncc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040757949 213383640 /nfs/dbraw/zinc/38/36/40/213383640.db2.gz ROVVJQYHOOFYLO-UHFFFAOYSA-N 1 1 348.450 2.771 40 0 EFABMO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000069249931 215372933 /nfs/dbraw/zinc/37/29/33/215372933.db2.gz CHGCJDRXWZQHCM-GOSISDBHSA-N 1 1 342.439 2.947 40 0 EFABMO C[NH+](C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccco1 ZINC000038629983 213217822 /nfs/dbraw/zinc/21/78/22/213217822.db2.gz FVZVUOUTEZAOSJ-QGZVFWFLSA-N 1 1 342.439 2.747 40 0 EFABMO Cc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1Cl ZINC000038253230 213206831 /nfs/dbraw/zinc/20/68/31/213206831.db2.gz WZTOYPBBVDVXIO-UHFFFAOYSA-N 1 1 327.881 2.657 40 0 EFABMO CNc1ncc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)o2)cn1 ZINC000036740288 213114863 /nfs/dbraw/zinc/11/48/63/213114863.db2.gz YMVPMKFNYCCREB-UHFFFAOYSA-N 1 1 340.431 2.709 40 0 EFABMO CNc1ncc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)o2)cn1 ZINC000036740288 213114870 /nfs/dbraw/zinc/11/48/70/213114870.db2.gz YMVPMKFNYCCREB-UHFFFAOYSA-N 1 1 340.431 2.709 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc(Br)c1 ZINC000036393523 213095925 /nfs/dbraw/zinc/09/59/25/213095925.db2.gz VQNFDHWHYYBVAM-CYBMUJFWSA-N 1 1 329.213 2.802 40 0 EFABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)c1 ZINC000035425119 213027747 /nfs/dbraw/zinc/02/77/47/213027747.db2.gz LLHBNUCBUGPOCM-HNNXBMFYSA-N 1 1 332.404 2.702 40 0 biogenic,in-vitro EFABMO COCCn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c2ccccc21 ZINC000072324734 216151578 /nfs/dbraw/zinc/15/15/78/216151578.db2.gz YZIWFRDXIBIWBJ-AEFFLSMTSA-N 1 1 327.472 2.956 40 0 EFABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000072324538 216151365 /nfs/dbraw/zinc/15/13/65/216151365.db2.gz HEMNDFAKYONICJ-KBPBESRZSA-N 1 1 330.457 2.889 40 0 EFABMO COc1ccccc1C(=O)N1CC[N@@H+](Cc2ccccc2)CCC1=O ZINC000072343221 216159213 /nfs/dbraw/zinc/15/92/13/216159213.db2.gz YOAMNXPBHVYGCM-UHFFFAOYSA-N 1 1 338.407 2.570 40 0 EFABMO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350557 216162488 /nfs/dbraw/zinc/16/24/88/216162488.db2.gz FUQDPRGPTWJRAU-QGZVFWFLSA-N 1 1 348.454 2.999 40 0 EFABMO Cc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350556 216162879 /nfs/dbraw/zinc/16/28/79/216162879.db2.gz ZPEZRUHLRNNDNZ-KRWDZBQOSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355433 216163470 /nfs/dbraw/zinc/16/34/70/216163470.db2.gz XHEFFTNOTGMBAR-QGZVFWFLSA-N 1 1 334.427 2.745 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000072355436 216164626 /nfs/dbraw/zinc/16/46/26/216164626.db2.gz ODWUFHNZWHXGQD-KRWDZBQOSA-N 1 1 348.454 2.999 40 0 EFABMO C[N@H+]1CCC[C@@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1 ZINC000072369350 216175893 /nfs/dbraw/zinc/17/58/93/216175893.db2.gz URMYALMELUKNRL-INIZCTEOSA-N 1 1 330.476 2.767 40 0 EFABMO Cc1nc(C(=O)N2CCC[C@H]2c2cccc(-n3cc[nH+]c3C)n2)co1 ZINC000072378833 216180299 /nfs/dbraw/zinc/18/02/99/216180299.db2.gz DPGPCYMUSAENSQ-INIZCTEOSA-N 1 1 337.383 2.849 40 0 EFABMO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2CCc2ccc(F)cc2)n1 ZINC000072379607 216180562 /nfs/dbraw/zinc/18/05/62/216180562.db2.gz YEBGHTZNFCOEFP-IBGZPJMESA-N 1 1 342.418 2.631 40 0 EFABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072378875 216181919 /nfs/dbraw/zinc/18/19/19/216181919.db2.gz WNQCWIVNPHADLX-QGZVFWFLSA-N 1 1 347.422 2.991 40 0 EFABMO c1cc(N2CCOCC2)nnc1C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072387265 216186902 /nfs/dbraw/zinc/18/69/02/216186902.db2.gz OIPQOFXEYOPCJS-INIZCTEOSA-N 1 1 330.476 2.510 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1 ZINC000072390926 216191287 /nfs/dbraw/zinc/19/12/87/216191287.db2.gz RKLVOYCZARZNHG-MRXNPFEDSA-N 1 1 342.487 2.751 40 0 EFABMO c1cncc(C[N@@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)c1 ZINC000072387313 216186753 /nfs/dbraw/zinc/18/67/53/216186753.db2.gz MPHVPCQNYCTHMO-QGZVFWFLSA-N 1 1 337.471 2.927 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393076 216191496 /nfs/dbraw/zinc/19/14/96/216191496.db2.gz BEMSKFYODNEQOH-QGZVFWFLSA-N 1 1 347.422 2.607 40 0 EFABMO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc2ncccc2c1 ZINC000072392141 216191529 /nfs/dbraw/zinc/19/15/29/216191529.db2.gz AOQMSRWFMSTNDY-QGZVFWFLSA-N 1 1 335.411 2.534 40 0 EFABMO COCC[NH+]1CCN(Cc2c3cccnc3[nH]c2C(C)(C)C)CC1 ZINC000072393633 216192328 /nfs/dbraw/zinc/19/23/28/216192328.db2.gz VPFOMPDLWIOUSU-UHFFFAOYSA-N 1 1 330.476 2.624 40 0 EFABMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2nc(C3CC3)cs2)C[C@H](C)O1 ZINC000193699493 240271168 /nfs/dbraw/zinc/27/11/68/240271168.db2.gz YBTXYIXMSWVDSX-TXEJJXNPSA-N 1 1 338.477 2.593 40 0 EFABMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2nc(C3CC3)cs2)C[C@H](C)O1 ZINC000193699493 240271176 /nfs/dbraw/zinc/27/11/76/240271176.db2.gz YBTXYIXMSWVDSX-TXEJJXNPSA-N 1 1 338.477 2.593 40 0 EFABMO Cc1nn(C)c(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1Cl ZINC000022266681 212286732 /nfs/dbraw/zinc/28/67/32/212286732.db2.gz COILOXUCVPALAY-UHFFFAOYSA-N 1 1 346.862 2.648 40 0 EFABMO O[C@H](C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000195549431 241000083 /nfs/dbraw/zinc/00/00/83/241000083.db2.gz YPNQCGZQYMBYRB-RHSMWYFYSA-N 1 1 330.407 2.665 40 0 EFABMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)[C@@H](C)C1 ZINC000195552122 241000996 /nfs/dbraw/zinc/00/09/96/241000996.db2.gz GOJPLOCNCHZUAO-WMLDXEAASA-N 1 1 333.476 2.788 40 0 EFABMO C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000022057243 212274265 /nfs/dbraw/zinc/27/42/65/212274265.db2.gz QXIKMOVFJXJCIG-GFCCVEGCSA-N 1 1 330.350 2.933 40 0 EFABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])COC)cc1 ZINC000218564243 241330975 /nfs/dbraw/zinc/33/09/75/241330975.db2.gz GPCJZZFTFGODSG-CEXWTWQISA-N 1 1 345.464 2.533 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000226752806 242112597 /nfs/dbraw/zinc/11/25/97/242112597.db2.gz LNUPTHQNWBYSRS-IAGOWNOFSA-N 1 1 338.407 2.742 40 0 EFABMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cccc3cccnc32)C[C@@H](C)O1 ZINC000021058376 212204922 /nfs/dbraw/zinc/20/49/22/212204922.db2.gz QNCATBYGQMOBLS-HUUCEWRRSA-N 1 1 341.455 2.852 40 0 EFABMO Cn1cc(C[N@@H+]2CCCN(Cc3ncc(C(C)(C)C)s3)CC2)cn1 ZINC000241739150 243001005 /nfs/dbraw/zinc/00/10/05/243001005.db2.gz RAKKZVDTESDGIF-UHFFFAOYSA-N 1 1 347.532 2.882 40 0 EFABMO Cn1cc(C[N@H+]2CCCN(Cc3ncc(C(C)(C)C)s3)CC2)cn1 ZINC000241739150 243001013 /nfs/dbraw/zinc/00/10/13/243001013.db2.gz RAKKZVDTESDGIF-UHFFFAOYSA-N 1 1 347.532 2.882 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCO2)C1 ZINC000245224666 243101404 /nfs/dbraw/zinc/10/14/04/243101404.db2.gz AYKMYCWTZDMWQL-JTDSTZFVSA-N 1 1 330.472 2.960 40 0 EFABMO C[N@@H+]1CC[C@H](CNC(=O)c2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343916 243104103 /nfs/dbraw/zinc/10/41/03/243104103.db2.gz WLAKFWOHVRZTBK-IAQYHMDHSA-N 1 1 337.782 2.890 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)c2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343916 243104108 /nfs/dbraw/zinc/10/41/08/243104108.db2.gz WLAKFWOHVRZTBK-IAQYHMDHSA-N 1 1 337.782 2.890 40 0 EFABMO CC[C@@](O)(CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000020494187 212140637 /nfs/dbraw/zinc/14/06/37/212140637.db2.gz OSPKPXIIILKVRA-OAHLLOKOSA-N 1 1 328.250 2.769 40 0 EFABMO CC1=C2C[C@@H]3[C@H](CN4CC[NH+](C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020412280 212127241 /nfs/dbraw/zinc/12/72/41/212127241.db2.gz ZUKCIQSRUJAJJS-YNVMFWSZSA-N 1 1 332.488 2.692 40 0 biogenic EFABMO Cn1cc(C[N@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257206174 244132399 /nfs/dbraw/zinc/13/23/99/244132399.db2.gz BCEHDEMYZMXGHZ-MRXNPFEDSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1cc(CN2CC[N@@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231371 244214010 /nfs/dbraw/zinc/21/40/10/244214010.db2.gz GGKJSMKVUXBHRD-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@@H+]2CCN(C)C[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231371 244214022 /nfs/dbraw/zinc/21/40/22/244214022.db2.gz GGKJSMKVUXBHRD-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@H+]2CCN(C)C[C@@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231371 244214031 /nfs/dbraw/zinc/21/40/31/244214031.db2.gz GGKJSMKVUXBHRD-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO CCCn1ccnc1CN1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257242592 244249217 /nfs/dbraw/zinc/24/92/17/244249217.db2.gz IDGOXKDWWWWBJL-GOSISDBHSA-N 1 1 343.475 2.636 40 0 EFABMO Cn1cncc1C[N@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257244199 244252825 /nfs/dbraw/zinc/25/28/25/244252825.db2.gz IKIWNZKFUGVPGB-BJLQDIEVSA-N 1 1 338.455 2.795 40 0 EFABMO CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)c(C)n1 ZINC000257245742 244255906 /nfs/dbraw/zinc/25/59/06/244255906.db2.gz IQXMDOFKNGWCQY-LJQANCHMSA-N 1 1 326.444 2.617 40 0 EFABMO CCn1cc(C[N@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)c(C)n1 ZINC000257245742 244255911 /nfs/dbraw/zinc/25/59/11/244255911.db2.gz IQXMDOFKNGWCQY-LJQANCHMSA-N 1 1 326.444 2.617 40 0 EFABMO c1cc(C[NH+]2CCC(Cc3cc(Nc4ccccn4)ncn3)CC2)n[nH]1 ZINC000257233066 244220607 /nfs/dbraw/zinc/22/06/07/244220607.db2.gz GNPBIZXLCRPOBL-UHFFFAOYSA-N 1 1 349.442 2.793 40 0 EFABMO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257235923 244229842 /nfs/dbraw/zinc/22/98/42/244229842.db2.gz HACFBNAMRYWXFM-INIZCTEOSA-N 1 1 334.427 2.950 40 0 EFABMO Cc1cccc(N2CCC[C@@H](NC(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257238427 244235912 /nfs/dbraw/zinc/23/59/12/244235912.db2.gz HKYYZUMUIDRPFH-CYBMUJFWSA-N 1 1 348.834 2.749 40 0 EFABMO Cc1nc(-c2nccn2C)cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257240212 244240581 /nfs/dbraw/zinc/24/05/81/244240581.db2.gz HSOOCVPZKYZYLR-QGZVFWFLSA-N 1 1 348.454 2.960 40 0 EFABMO CCc1noc(C)c1C(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257241869 244243534 /nfs/dbraw/zinc/24/35/34/244243534.db2.gz HZZBOEJTFHRJFZ-OAHLLOKOSA-N 1 1 342.443 2.990 40 0 EFABMO Cc1ccc(C(=O)NCc2cnc(C)nc2[C@H]2CCC[N@@H+]2C)cc1F ZINC000257251138 244268352 /nfs/dbraw/zinc/26/83/52/244268352.db2.gz JPNPHTPVSGNAOV-QGZVFWFLSA-N 1 1 342.418 2.929 40 0 EFABMO Cc1nc([C@@H]2C[N@H+](Cc3ccnc4ccccc34)CCO2)cc(=O)[nH]1 ZINC000257255349 244279969 /nfs/dbraw/zinc/27/99/69/244279969.db2.gz KHCQBMLKZQMCQJ-SFHVURJKSA-N 1 1 336.395 2.612 40 0 EFABMO Cc1nc([C@@H]2C[N@@H+](Cc3ccnc4ccccc34)CCO2)cc(=O)[nH]1 ZINC000257255349 244279973 /nfs/dbraw/zinc/27/99/73/244279973.db2.gz KHCQBMLKZQMCQJ-SFHVURJKSA-N 1 1 336.395 2.612 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000020050971 212097969 /nfs/dbraw/zinc/09/79/69/212097969.db2.gz UKWVMYRGXBMYCX-UHFFFAOYSA-N 1 1 327.409 2.659 40 0 EFABMO CCCOC1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000257268393 244367040 /nfs/dbraw/zinc/36/70/40/244367040.db2.gz MLMCNGWZHSVYLJ-GOSISDBHSA-N 1 1 331.460 2.880 40 0 EFABMO Cc1ncsc1CN1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257268259 244367736 /nfs/dbraw/zinc/36/77/36/244367736.db2.gz MKXPXIRCJUFXLO-INIZCTEOSA-N 1 1 346.500 2.746 40 0 EFABMO Cc1n[nH]cc1CN1CC[N@H+](C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257271555 244380464 /nfs/dbraw/zinc/38/04/64/244380464.db2.gz MYUHBMWESXGPLZ-QGZVFWFLSA-N 1 1 349.482 2.873 40 0 EFABMO Cc1n[nH]cc1C[N@H+]1CCN(C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257271555 244380471 /nfs/dbraw/zinc/38/04/71/244380471.db2.gz MYUHBMWESXGPLZ-QGZVFWFLSA-N 1 1 349.482 2.873 40 0 EFABMO Cc1n[nH]cc1C[N@@H+]1CCN(C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257271555 244380477 /nfs/dbraw/zinc/38/04/77/244380477.db2.gz MYUHBMWESXGPLZ-QGZVFWFLSA-N 1 1 349.482 2.873 40 0 EFABMO Cn1cnc(C[N@@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257273050 244382219 /nfs/dbraw/zinc/38/22/19/244382219.db2.gz NFANDWCHZNTLOG-MRXNPFEDSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1cnc(C[N@H+]2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1 ZINC000257273050 244382230 /nfs/dbraw/zinc/38/22/30/244382230.db2.gz NFANDWCHZNTLOG-MRXNPFEDSA-N 1 1 325.412 2.857 40 0 EFABMO Cc1cccc(CC(=O)N2CCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)c1 ZINC000019709073 212055778 /nfs/dbraw/zinc/05/57/78/212055778.db2.gz HMZIMEINUPTYIK-IBGZPJMESA-N 1 1 340.471 2.696 40 0 EFABMO C[C@@H]([NH3+])C(=O)Oc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O ZINC000019703438 212055650 /nfs/dbraw/zinc/05/56/50/212055650.db2.gz SYRCBUBPFQRFPR-SNVBAGLBSA-N 1 1 343.310 2.977 40 0 biogenic EFABMO Cn1nccc1C[N@H+]1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019689207 212055303 /nfs/dbraw/zinc/05/53/03/212055303.db2.gz HZGVPTJQGQTGSN-MRXNPFEDSA-N 1 1 334.427 2.652 40 0 EFABMO Cn1nccc1C[N@H+]1CCC[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019689209 212055203 /nfs/dbraw/zinc/05/52/03/212055203.db2.gz HZGVPTJQGQTGSN-INIZCTEOSA-N 1 1 334.427 2.652 40 0 EFABMO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)NCc1ccccn1 ZINC000019654496 212052225 /nfs/dbraw/zinc/05/22/25/212052225.db2.gz JKVTVAFKTSFBRA-QGZVFWFLSA-N 1 1 325.412 2.544 40 0 EFABMO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NCc1ccccn1 ZINC000019654496 212052230 /nfs/dbraw/zinc/05/22/30/212052230.db2.gz JKVTVAFKTSFBRA-QGZVFWFLSA-N 1 1 325.412 2.544 40 0 EFABMO Cc1cc(C(=O)N2CCc3nc([C@H]4CCC[N@H+]4C)ncc3C2)cs1 ZINC000019571924 212043972 /nfs/dbraw/zinc/04/39/72/212043972.db2.gz VFVPKDDFNJKYEO-MRXNPFEDSA-N 1 1 342.468 2.812 40 0 EFABMO Cc1cc(C(=O)N2CCc3nc([C@H]4CCC[N@@H+]4C)ncc3C2)cs1 ZINC000019571924 212043975 /nfs/dbraw/zinc/04/39/75/212043975.db2.gz VFVPKDDFNJKYEO-MRXNPFEDSA-N 1 1 342.468 2.812 40 0 EFABMO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2ccncc2)n1 ZINC000019573807 212045149 /nfs/dbraw/zinc/04/51/49/212045149.db2.gz ZFNMNPGWSUMXAD-GOSISDBHSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccncc2)n1 ZINC000019573807 212045152 /nfs/dbraw/zinc/04/51/52/212045152.db2.gz ZFNMNPGWSUMXAD-GOSISDBHSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2ccccn2)n1 ZINC000019573753 212044876 /nfs/dbraw/zinc/04/48/76/212044876.db2.gz JYFJLQWAXZXRGV-GOSISDBHSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccn2)n1 ZINC000019573753 212044879 /nfs/dbraw/zinc/04/48/79/212044879.db2.gz JYFJLQWAXZXRGV-GOSISDBHSA-N 1 1 340.427 2.551 40 0 EFABMO CCCn1cc(CN2C[C@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)c2ccccc21 ZINC000019526075 212037572 /nfs/dbraw/zinc/03/75/72/212037572.db2.gz CZQHKJLDODTLBU-CGTJXYLNSA-N 1 1 327.472 2.691 40 0 EFABMO CCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)n1 ZINC000019522516 212036622 /nfs/dbraw/zinc/03/66/22/212036622.db2.gz KGMHPOAKDQRLFT-OAHLLOKOSA-N 1 1 327.428 2.721 40 0 EFABMO CC[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019500574 212034078 /nfs/dbraw/zinc/03/40/78/212034078.db2.gz KLWPIXRMPDDCJE-KRWDZBQOSA-N 1 1 342.491 2.697 40 0 EFABMO COc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)ccc1OCC(N)=O ZINC000019498358 212032038 /nfs/dbraw/zinc/03/20/38/212032038.db2.gz KFDZNDHDQIFBOM-GFCCVEGCSA-N 1 1 346.452 2.740 40 0 EFABMO COc1cc(C[N@H+]2CCc3sccc3[C@H]2C)ccc1OCC(N)=O ZINC000019498358 212032039 /nfs/dbraw/zinc/03/20/39/212032039.db2.gz KFDZNDHDQIFBOM-GFCCVEGCSA-N 1 1 346.452 2.740 40 0 EFABMO CC1CC[NH+](CCNC(=O)CCc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000019496903 212031756 /nfs/dbraw/zinc/03/17/56/212031756.db2.gz ZKBUUQMYRNHFBA-UHFFFAOYSA-N 1 1 348.878 2.997 40 0 EFABMO CC(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019453747 212028806 /nfs/dbraw/zinc/02/88/06/212028806.db2.gz QULMWNKPLGXAPG-UHFFFAOYSA-N 1 1 333.382 2.772 40 0 EFABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)no1)N1CCCC1 ZINC000019401658 212025935 /nfs/dbraw/zinc/02/59/35/212025935.db2.gz AKCSPLPDODSSFU-OAHLLOKOSA-N 1 1 340.427 2.685 40 0 EFABMO O[C@@H]1C[C@H]2CN(Cc3cccc(F)c3)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372789 212023132 /nfs/dbraw/zinc/02/31/32/212023132.db2.gz OGTLWVMXVMKMQK-PCCBWWKXSA-N 1 1 340.442 2.688 40 0 EFABMO O=C1NC2(C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)Nc2ncccc21 ZINC000019371551 212022809 /nfs/dbraw/zinc/02/28/09/212022809.db2.gz KYIZZHYPWGRGTR-NYTJIUQPSA-N 1 1 334.423 2.760 40 0 EFABMO CN1CC[NH+](C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019361276 212020642 /nfs/dbraw/zinc/02/06/42/212020642.db2.gz LSWZUMYYYMPZFA-IBGZPJMESA-N 1 1 332.488 2.721 40 0 EFABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccccc1F)CC2 ZINC000019349323 212019756 /nfs/dbraw/zinc/01/97/56/212019756.db2.gz XCDHSMOCFAKTPD-UHFFFAOYSA-N 1 1 336.370 2.529 40 0 EFABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349323 212019758 /nfs/dbraw/zinc/01/97/58/212019758.db2.gz XCDHSMOCFAKTPD-UHFFFAOYSA-N 1 1 336.370 2.529 40 0 EFABMO c1csc(C[N@@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)c1 ZINC000019341587 212017812 /nfs/dbraw/zinc/01/78/12/212017812.db2.gz PAPMYWQIEZIQLB-AWEZNQCLSA-N 1 1 340.456 2.709 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)n2c(n1)CCC2 ZINC000019292892 212013404 /nfs/dbraw/zinc/01/34/04/212013404.db2.gz NGASSBVANIMHSZ-CQSZACIVSA-N 1 1 345.393 2.847 40 0 EFABMO O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)n2c(n1)CCC2 ZINC000019292892 212013407 /nfs/dbraw/zinc/01/34/07/212013407.db2.gz NGASSBVANIMHSZ-CQSZACIVSA-N 1 1 345.393 2.847 40 0 EFABMO Fc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)cc1F ZINC000019292829 212012989 /nfs/dbraw/zinc/01/29/89/212012989.db2.gz LAJNUZGDMRUPFN-MCPYQZEQSA-N 1 1 336.426 2.898 40 0 EFABMO Fc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)cc1F ZINC000019292829 212012986 /nfs/dbraw/zinc/01/29/86/212012986.db2.gz LAJNUZGDMRUPFN-MCPYQZEQSA-N 1 1 336.426 2.898 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)s1 ZINC000019217241 212005989 /nfs/dbraw/zinc/00/59/89/212005989.db2.gz CZIRXXFFQGRYTN-UHFFFAOYSA-N 1 1 338.436 2.760 40 0 EFABMO Cc1ccc(C[N@H+](CCCN2CCOCC2)Cc2ccccn2)o1 ZINC000019216441 212005548 /nfs/dbraw/zinc/00/55/48/212005548.db2.gz KLGKUUIMDCGDES-UHFFFAOYSA-N 1 1 329.444 2.708 40 0 EFABMO Cc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccccn2)o1 ZINC000019216441 212005549 /nfs/dbraw/zinc/00/55/49/212005549.db2.gz KLGKUUIMDCGDES-UHFFFAOYSA-N 1 1 329.444 2.708 40 0 EFABMO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccccn2)o1 ZINC000019216441 212005552 /nfs/dbraw/zinc/00/55/52/212005552.db2.gz KLGKUUIMDCGDES-UHFFFAOYSA-N 1 1 329.444 2.708 40 0 EFABMO CCN1CC[NH+](CCC(=O)NCCc2cccc3ccccc32)CC1 ZINC000078394352 217046862 /nfs/dbraw/zinc/04/68/62/217046862.db2.gz SLOJCHDSXFYPQU-UHFFFAOYSA-N 1 1 339.483 2.526 40 0 EFABMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Cn2ccnc2C)c1 ZINC000078498585 217062989 /nfs/dbraw/zinc/06/29/89/217062989.db2.gz UZQHBTBGQCXYLF-LJQANCHMSA-N 1 1 340.471 2.730 40 0 EFABMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1)NC1CCOCC1 ZINC000078922934 217148958 /nfs/dbraw/zinc/14/89/58/217148958.db2.gz QKCHEOQRNWTSJI-FQEVSTJZSA-N 1 1 342.414 2.800 40 0 EFABMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccccc3O)CC2)cs1 ZINC000078930218 217150165 /nfs/dbraw/zinc/15/01/65/217150165.db2.gz RUJUKPSLAKYNKY-UHFFFAOYSA-N 1 1 345.468 2.799 40 0 EFABMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)CCN(C)c1ccccc1 ZINC000078927101 217150452 /nfs/dbraw/zinc/15/04/52/217150452.db2.gz IKPXBUVIUOPSKZ-UHFFFAOYSA-N 1 1 349.438 2.718 40 0 EFABMO Cc1cc(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n2ncnc2n1 ZINC000110627405 220049750 /nfs/dbraw/zinc/04/97/50/220049750.db2.gz QJLQQKPCMNBFNY-CZUORRHYSA-N 1 1 342.472 2.989 40 0 EFABMO C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000110674648 220053908 /nfs/dbraw/zinc/05/39/08/220053908.db2.gz OORQTFXGOOOKQX-JZXOWHBKSA-N 1 1 346.471 2.558 40 0 EFABMO COc1ccc(C[C@@H](C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000110695707 220056391 /nfs/dbraw/zinc/05/63/91/220056391.db2.gz GCBRCEYZHIMEER-JTDSTZFVSA-N 1 1 347.503 2.855 40 0 EFABMO CC(C)N(C[C@@H]1CCC[N@@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079411176 217221986 /nfs/dbraw/zinc/22/19/86/217221986.db2.gz YNNSDPVHILXRRQ-GOSISDBHSA-N 1 1 334.460 2.738 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(F)c(Br)c1 ZINC000079679025 217248436 /nfs/dbraw/zinc/24/84/36/217248436.db2.gz XPSYPCCKKMTGMR-UHFFFAOYSA-N 1 1 340.196 2.913 40 0 EFABMO C[C@@H]1C[C@H](Nc2cnn(C)c(=O)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000080230945 217290506 /nfs/dbraw/zinc/29/05/06/217290506.db2.gz QOSYQRQEPYPZQG-UKRRQHHQSA-N 1 1 346.862 2.899 40 0 EFABMO CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080600279 217317722 /nfs/dbraw/zinc/31/77/22/217317722.db2.gz DQTRUCTWQYJQQC-SFHVURJKSA-N 1 1 327.403 2.844 40 0 EFABMO CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080600279 217317726 /nfs/dbraw/zinc/31/77/26/217317726.db2.gz DQTRUCTWQYJQQC-SFHVURJKSA-N 1 1 327.403 2.844 40 0 EFABMO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000014159458 211694753 /nfs/dbraw/zinc/69/47/53/211694753.db2.gz FLHMYVKYPFZKMR-CYBMUJFWSA-N 1 1 333.457 2.928 40 0 EFABMO COc1ccc(OC)c(C[NH+]2CCC(O)(c3cccnc3F)CC2)c1 ZINC000012328077 211349468 /nfs/dbraw/zinc/34/94/68/211349468.db2.gz HWFUPBUPQHXUSD-UHFFFAOYSA-N 1 1 346.402 2.722 40 0 EFABMO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)c1cccs1 ZINC000012290857 211333789 /nfs/dbraw/zinc/33/37/89/211333789.db2.gz WQKHOFKJGCKWGU-UHFFFAOYSA-N 1 1 348.443 2.601 40 0 EFABMO COc1ccc(COC[C@@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000012172165 211310503 /nfs/dbraw/zinc/31/05/03/211310503.db2.gz PDGLJUZHLDWIOM-UXLLHSPISA-N 1 1 337.460 2.559 40 0 EFABMO C[C@H](C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012220721 211322268 /nfs/dbraw/zinc/32/22/68/211322268.db2.gz PTNBHISUDWAWEG-CQSZACIVSA-N 1 1 347.422 2.801 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000012116898 211296349 /nfs/dbraw/zinc/29/63/49/211296349.db2.gz KFZOWEXKKGFRQR-CYBMUJFWSA-N 1 1 339.399 2.681 40 0 EFABMO O=C(c1ncoc1-c1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000012145539 211306564 /nfs/dbraw/zinc/30/65/64/211306564.db2.gz MTESSPZHRSCKJT-HNNXBMFYSA-N 1 1 329.375 2.791 40 0 EFABMO O=C(c1ncoc1-c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000012145539 211306568 /nfs/dbraw/zinc/30/65/68/211306568.db2.gz MTESSPZHRSCKJT-HNNXBMFYSA-N 1 1 329.375 2.791 40 0 EFABMO c1nnc([C@H]2CCC[N@H+](CCc3ccc4c(c3)CCO4)C2)n1C1CC1 ZINC000091630668 218035860 /nfs/dbraw/zinc/03/58/60/218035860.db2.gz LFASCYHFVVUECD-KRWDZBQOSA-N 1 1 338.455 2.970 40 0 EFABMO COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000092015693 218104920 /nfs/dbraw/zinc/10/49/20/218104920.db2.gz BIZUGPRMIRRGFA-AWEZNQCLSA-N 1 1 349.324 2.590 40 0 EFABMO COC(=O)c1cc(C[N@H+](C)Cc2cc(Br)cn2C)c[nH]1 ZINC000091961652 218094738 /nfs/dbraw/zinc/09/47/38/218094738.db2.gz GECAFHIFSRVMFG-UHFFFAOYSA-N 1 1 340.221 2.534 40 0 EFABMO COC(=O)c1cc(C[N@@H+](C)Cc2cc(Br)cn2C)c[nH]1 ZINC000091961652 218094739 /nfs/dbraw/zinc/09/47/39/218094739.db2.gz GECAFHIFSRVMFG-UHFFFAOYSA-N 1 1 340.221 2.534 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000010051756 211144168 /nfs/dbraw/zinc/14/41/68/211144168.db2.gz KCHDBRQCWCWCCN-GASCZTMLSA-N 1 1 329.444 2.730 40 0 EFABMO CN1CCN(c2ncc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439501 218226122 /nfs/dbraw/zinc/22/61/22/218226122.db2.gz KELSAXKCKBOSSW-HXUWFJFHSA-N 1 1 341.503 2.551 40 0 EFABMO Cc1cccc(CS(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000008896864 211016229 /nfs/dbraw/zinc/01/62/29/211016229.db2.gz NEQHMBKUHVYJCS-INIZCTEOSA-N 1 1 338.498 2.779 40 0 EFABMO Cc1nc(-c2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000095393068 218325412 /nfs/dbraw/zinc/32/54/12/218325412.db2.gz KYJZDFMNSJVWBU-CQSZACIVSA-N 1 1 342.443 2.897 40 0 EFABMO CNC(=O)Cc1ccccc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000095407873 218343842 /nfs/dbraw/zinc/34/38/42/218343842.db2.gz BLLBVYLAHBQMHP-INIZCTEOSA-N 1 1 343.471 2.568 40 0 EFABMO CCC(C)(CC)NC(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000095418315 218357873 /nfs/dbraw/zinc/35/78/73/218357873.db2.gz UIVJYPZYKHJGLV-UHFFFAOYSA-N 1 1 334.464 2.565 40 0 EFABMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(-n3cncn3)cc2)o1 ZINC000095421545 218363548 /nfs/dbraw/zinc/36/35/48/218363548.db2.gz WKSNAVLYNITDQI-ZIAGYGMSSA-N 1 1 339.399 2.847 40 0 EFABMO COc1ccc2cccc(CC(=O)N(C)C[C@@H]3CC[N@@H+](C)C3)c2c1 ZINC000095435959 218378275 /nfs/dbraw/zinc/37/82/75/218378275.db2.gz XGWFKZRNVHNMPY-OAHLLOKOSA-N 1 1 326.440 2.801 40 0 EFABMO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000095443579 218387881 /nfs/dbraw/zinc/38/78/81/218387881.db2.gz GCBRCEYZHIMEER-FCEWJHQRSA-N 1 1 347.503 2.855 40 0 EFABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]21 ZINC000096058330 218550261 /nfs/dbraw/zinc/55/02/61/218550261.db2.gz WCFHXINSHDBHCF-FHWLQOOXSA-N 1 1 336.439 2.727 40 0 EFABMO O=C(c1cnc2ccccc2c1)N1Cc2nc(C[NH+]3CCCC3)oc2C1 ZINC000096086757 218584054 /nfs/dbraw/zinc/58/40/54/218584054.db2.gz NGJPGSYXLQKPPX-UHFFFAOYSA-N 1 1 348.406 2.975 40 0 EFABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1cc3ccccc3s1)C2 ZINC000096219835 218696121 /nfs/dbraw/zinc/69/61/21/218696121.db2.gz NOFCCXCZAZOCSF-HNAYVOBHSA-N 1 1 344.480 2.942 40 0 EFABMO Cc1nc(-c2cccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c2)no1 ZINC000096423593 218791108 /nfs/dbraw/zinc/79/11/08/218791108.db2.gz WFOFIQAWTKUISI-CQSZACIVSA-N 1 1 342.443 2.897 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000004908046 210319672 /nfs/dbraw/zinc/31/96/72/210319672.db2.gz UITMDFSXBGPNRC-GFCCVEGCSA-N 1 1 348.834 2.787 40 0 EFABMO COC(=O)C[C@H]1CSCC[N@H+]1Cc1cn(C)nc1-c1ccccc1 ZINC000097230942 219000514 /nfs/dbraw/zinc/00/05/14/219000514.db2.gz MCMBWJBODYWTIW-INIZCTEOSA-N 1 1 345.468 2.568 40 0 EFABMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000097238284 219003426 /nfs/dbraw/zinc/00/34/26/219003426.db2.gz LZPQDRRCBQAENV-IBGZPJMESA-N 1 1 342.414 2.712 40 0 EFABMO C[C@@H](O)C[N@@H+](C[C@H](C)O)[C@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000004782934 210276423 /nfs/dbraw/zinc/27/64/23/210276423.db2.gz ONNLDWXJRIGIMG-FVJLSDCUSA-N 1 1 341.451 2.603 40 0 EFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N)[nH+]c2C)cc1 ZINC000072218570 257687617 /nfs/dbraw/zinc/68/76/17/257687617.db2.gz LJXDWHGNQNYVGX-INIZCTEOSA-N 1 1 331.441 2.806 40 0 EFABMO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccccc3O)n[nH]2)ccc1OC ZINC000095534367 257699728 /nfs/dbraw/zinc/69/97/28/257699728.db2.gz MHADHZVXMFYYHY-MRXNPFEDSA-N 1 1 340.383 2.633 40 0 EFABMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@@H](C)O1 ZINC000097044933 258068028 /nfs/dbraw/zinc/06/80/28/258068028.db2.gz YUHXPZZFASYIRI-NXEZZACHSA-N 1 1 348.274 2.939 40 0 EFABMO Cc1cc([C@@H](O)C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)c(C)s1 ZINC000036741337 132393146 /nfs/dbraw/zinc/39/31/46/132393146.db2.gz GNSOCSHWQKNINS-KRWDZBQOSA-N 1 1 346.500 2.627 40 0 EFABMO COc1cc(OC)nc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342353149 145107060 /nfs/dbraw/zinc/10/70/60/145107060.db2.gz VZPDHAMMZDDZLV-HNNXBMFYSA-N 1 1 342.443 2.595 40 0 EFABMO C[C@H](C[N@@H+](C1CCC(C)CC1)C1CCC(O)CC1)CS(C)(=O)=O ZINC000096486848 544558996 /nfs/dbraw/zinc/55/89/96/544558996.db2.gz OGZIRSDYQUFTHX-YRNZIALDSA-N 1 1 345.549 2.851 40 0 EFABMO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)C[C@@H]1CCOC1 ZINC000096487655 544559747 /nfs/dbraw/zinc/55/97/47/544559747.db2.gz LWYWUJSGURQPAP-FZMZJTMJSA-N 1 1 342.233 2.632 40 0 EFABMO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000096487655 544559752 /nfs/dbraw/zinc/55/97/52/544559752.db2.gz LWYWUJSGURQPAP-FZMZJTMJSA-N 1 1 342.233 2.632 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2cccs2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109457 274080883 /nfs/dbraw/zinc/08/08/83/274080883.db2.gz BJXXWUSNCNMZCF-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CCN(Cc2cccs2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109457 274080885 /nfs/dbraw/zinc/08/08/85/274080885.db2.gz BJXXWUSNCNMZCF-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CCN(Cc2cccs2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109457 274080887 /nfs/dbraw/zinc/08/08/87/274080887.db2.gz BJXXWUSNCNMZCF-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO COc1c(O)ccc2c1-c1c3c(cc4c1[C@@H](C2)[N@H+](C)CC4)OCO3 ZINC000013482688 274090119 /nfs/dbraw/zinc/09/01/19/274090119.db2.gz WOIZHRXESCUSGM-GFCCVEGCSA-N 1 1 325.364 2.882 40 0 biogenic,in-vitro EFABMO COc1c(O)ccc2c1-c1c3c(cc4c1[C@@H](C2)[N@@H+](C)CC4)OCO3 ZINC000013482688 274090121 /nfs/dbraw/zinc/09/01/21/274090121.db2.gz WOIZHRXESCUSGM-GFCCVEGCSA-N 1 1 325.364 2.882 40 0 biogenic,in-vitro EFABMO COc1cc2c(c(OC)c1OC)CC[N@@H+](CCc1ccccn1)CC2 ZINC000253433082 274100691 /nfs/dbraw/zinc/10/06/91/274100691.db2.gz RPOJBHNPDZBVAL-UHFFFAOYSA-N 1 1 342.439 2.751 40 0 EFABMO O=C([C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1)N1CCCC1 ZINC000096262465 275010190 /nfs/dbraw/zinc/01/01/90/275010190.db2.gz AFQPIPVIRUXUAT-QUCCMNQESA-N 1 1 326.440 2.519 40 0 EFABMO O=C1N(CC2CC2)c2ccccc2[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096100336 275021374 /nfs/dbraw/zinc/02/13/74/275021374.db2.gz QKDJZCKEFKQOMM-NRFANRHFSA-N 1 1 333.435 2.982 40 0 EFABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000072339837 275061962 /nfs/dbraw/zinc/06/19/62/275061962.db2.gz BBZXRRPBNHEHIX-UHFFFAOYSA-N 1 1 336.370 2.942 40 0 EFABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000072339837 275061963 /nfs/dbraw/zinc/06/19/63/275061963.db2.gz BBZXRRPBNHEHIX-UHFFFAOYSA-N 1 1 336.370 2.942 40 0 EFABMO CN1C(=O)C2(CC[NH+](Cc3nccs3)CC2)[C@H]1c1ccccc1 ZINC000096100240 277006324 /nfs/dbraw/zinc/00/63/24/277006324.db2.gz QHIZPXYWDHASSR-MRXNPFEDSA-N 1 1 327.453 2.939 40 0 EFABMO COCC[N@@H+]1CCN(C(C)=O)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367907 277224953 /nfs/dbraw/zinc/22/49/53/277224953.db2.gz NQCIBVRWQBGVIM-HNNXBMFYSA-N 1 1 330.350 2.557 40 0 EFABMO COCC[N@H+]1CCN(C(C)=O)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367907 277224955 /nfs/dbraw/zinc/22/49/55/277224955.db2.gz NQCIBVRWQBGVIM-HNNXBMFYSA-N 1 1 330.350 2.557 40 0 EFABMO CO[C@@H]1CCN(Cc2c(C)noc2C)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096108600 277292872 /nfs/dbraw/zinc/29/28/72/277292872.db2.gz QIMBVBVNQVOALR-IPMKNSEASA-N 1 1 345.443 2.606 40 0 EFABMO CO[C@@H]1CC[N@H+](Cc2c(C)noc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108600 277292873 /nfs/dbraw/zinc/29/28/73/277292873.db2.gz QIMBVBVNQVOALR-IPMKNSEASA-N 1 1 345.443 2.606 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108600 277292874 /nfs/dbraw/zinc/29/28/74/277292874.db2.gz QIMBVBVNQVOALR-IPMKNSEASA-N 1 1 345.443 2.606 40 0 EFABMO CC(=O)N[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000195531457 278178737 /nfs/dbraw/zinc/17/87/37/278178737.db2.gz QZKUYGNCPTZHDT-XJKSGUPXSA-N 1 1 344.377 2.513 40 0 EFABMO CC(=O)N[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000195531457 278178738 /nfs/dbraw/zinc/17/87/38/278178738.db2.gz QZKUYGNCPTZHDT-XJKSGUPXSA-N 1 1 344.377 2.513 40 0 EFABMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000078048056 278310687 /nfs/dbraw/zinc/31/06/87/278310687.db2.gz LHNWGZXZTFNMOT-CQSZACIVSA-N 1 1 347.484 2.593 40 0 EFABMO CC[C@H]1CCCC[N@H+]1[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000245380369 281059224 /nfs/dbraw/zinc/05/92/24/281059224.db2.gz XSNMHHKCQGMGIY-RDJZCZTQSA-N 1 1 343.427 2.541 40 0 EFABMO COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000030029062 295085410 /nfs/dbraw/zinc/08/54/10/295085410.db2.gz KMLPBQVURAERNP-QGZVFWFLSA-N 1 1 340.423 2.833 40 0 EFABMO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000030029062 295085413 /nfs/dbraw/zinc/08/54/13/295085413.db2.gz KMLPBQVURAERNP-QGZVFWFLSA-N 1 1 340.423 2.833 40 0 EFABMO C[C@@H](OC1CCCCCC1)C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000333336233 311601012 /nfs/dbraw/zinc/60/10/12/311601012.db2.gz XDDZPCLLXYKNRY-CRAIPNDOSA-N 1 1 331.460 2.682 40 0 EFABMO CC(C)c1[nH+]ccn1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000097236171 323214311 /nfs/dbraw/zinc/21/43/11/323214311.db2.gz CRTRLIFVKQOTOI-UHFFFAOYSA-N 1 1 341.455 2.871 40 0 EFABMO C[C@@H](C(=O)Nc1ccc(Cl)cc1-n1cccc1)N1CC[NH+](C)CC1 ZINC000097374743 323214891 /nfs/dbraw/zinc/21/48/91/323214891.db2.gz ZOBZDYNUCZTVNK-AWEZNQCLSA-N 1 1 346.862 2.705 40 0 EFABMO O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)Nc1ccccc1 ZINC000183908033 323350361 /nfs/dbraw/zinc/35/03/61/323350361.db2.gz RZXODRKFRBHXTI-OAHLLOKOSA-N 1 1 349.228 2.711 40 0 EFABMO Cc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c(N2CCCC2)n1 ZINC000129161232 472526265 /nfs/dbraw/zinc/52/62/65/472526265.db2.gz UYGOBHZYFBNXMT-QGZVFWFLSA-N 1 1 325.460 2.965 40 0 EFABMO CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000081494422 473208689 /nfs/dbraw/zinc/20/86/89/473208689.db2.gz LBWBXGHOSRDOOB-IAGOWNOFSA-N 1 1 337.508 2.852 40 0 EFABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccoc3C)n[nH]2)cc1OC ZINC000095534247 473223387 /nfs/dbraw/zinc/22/33/87/473223387.db2.gz VZASEPNWHNJMJD-OAHLLOKOSA-N 1 1 328.372 2.829 40 0 EFABMO O=C([C@@H]1CCCOC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000171027715 473257158 /nfs/dbraw/zinc/25/71/58/473257158.db2.gz NSZHQAHFXYZODO-MRXNPFEDSA-N 1 1 336.863 2.801 40 0 EFABMO O=C([C@@H]1CCCOC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000171027715 473257163 /nfs/dbraw/zinc/25/71/63/473257163.db2.gz NSZHQAHFXYZODO-MRXNPFEDSA-N 1 1 336.863 2.801 40 0 EFABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](CCc1ccc(OC)c(OC)c1)C2 ZINC000096039148 473259729 /nfs/dbraw/zinc/25/97/29/473259729.db2.gz LVPJSJSMPHZSRT-UXHICEINSA-N 1 1 349.471 2.764 40 0 EFABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](CCc1ccc(OC)c(OC)c1)C2 ZINC000096039150 473259796 /nfs/dbraw/zinc/25/97/96/473259796.db2.gz LVPJSJSMPHZSRT-PMACEKPBSA-N 1 1 349.471 2.764 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096040348 473260841 /nfs/dbraw/zinc/26/08/41/473260841.db2.gz YBAAHNBWFGSKGV-QUCCMNQESA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(COC[C@]23CCCO[C@@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040255 473261590 /nfs/dbraw/zinc/26/15/90/473261590.db2.gz KFKDUGIPYWWTAH-WOJBJXKFSA-N 1 1 346.471 2.648 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)o1 ZINC000096042830 473265664 /nfs/dbraw/zinc/26/56/64/473265664.db2.gz HCLIESAMVZWNJW-BMGDILEWSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)o1 ZINC000096042830 473265670 /nfs/dbraw/zinc/26/56/70/473265670.db2.gz HCLIESAMVZWNJW-BMGDILEWSA-N 1 1 341.411 2.601 40 0 EFABMO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@@H]21)N1CCCC1 ZINC000096043434 473264847 /nfs/dbraw/zinc/26/48/47/473264847.db2.gz GATFATGCZUPUOX-BRWVUGGUSA-N 1 1 334.485 2.598 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccncc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042497 473265511 /nfs/dbraw/zinc/26/55/11/473265511.db2.gz DKTZKAJPJFHIHS-KURKYZTESA-N 1 1 345.468 2.795 40 0 EFABMO C(OC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1CC1CCC1)C1CC1 ZINC000096045408 473267363 /nfs/dbraw/zinc/26/73/63/473267363.db2.gz ZQWYACGJSHMQFD-SFHVURJKSA-N 1 1 330.476 2.814 40 0 EFABMO C(OC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CC1CCC1)C1CC1 ZINC000096045408 473267373 /nfs/dbraw/zinc/26/73/73/473267373.db2.gz ZQWYACGJSHMQFD-SFHVURJKSA-N 1 1 330.476 2.814 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045818 473267668 /nfs/dbraw/zinc/26/76/68/473267668.db2.gz SODMTUXQXKCLSO-AEGPPILISA-N 1 1 330.388 2.514 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045818 473267678 /nfs/dbraw/zinc/26/76/78/473267678.db2.gz SODMTUXQXKCLSO-AEGPPILISA-N 1 1 330.388 2.514 40 0 EFABMO CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096047413 473268451 /nfs/dbraw/zinc/26/84/51/473268451.db2.gz LDCJSHHFZZLVPE-OAHLLOKOSA-N 1 1 328.503 2.528 40 0 EFABMO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096047109 473269015 /nfs/dbraw/zinc/26/90/15/473269015.db2.gz RMOPKOVTZUGEQC-HXUWFJFHSA-N 1 1 339.439 2.732 40 0 EFABMO Cn1cc(CN2CCC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)cn1 ZINC000096046977 473269071 /nfs/dbraw/zinc/26/90/71/473269071.db2.gz XCPBOJIXTOAVRZ-SFHVURJKSA-N 1 1 330.501 2.970 40 0 EFABMO c1cc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096048338 473271730 /nfs/dbraw/zinc/27/17/30/473271730.db2.gz YCWLQZVJFMNDNN-WBVHZDCISA-N 1 1 330.457 2.774 40 0 EFABMO COc1ccc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)cc1 ZINC000096048918 473271753 /nfs/dbraw/zinc/27/17/53/473271753.db2.gz RTBGGFAFXQXYCZ-UHFFFAOYSA-N 1 1 330.472 2.772 40 0 EFABMO COc1ccc(C[NH+]2CCC3(CC2)COCCN3CC2CC2)cc1 ZINC000096048918 473271764 /nfs/dbraw/zinc/27/17/64/473271764.db2.gz RTBGGFAFXQXYCZ-UHFFFAOYSA-N 1 1 330.472 2.772 40 0 EFABMO Cc1ccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)nn1 ZINC000096048438 473272141 /nfs/dbraw/zinc/27/21/41/473272141.db2.gz NQBVHPHEFQBGNR-SJLPKXTDSA-N 1 1 328.416 2.614 40 0 EFABMO Cc1cccc(CN2CC[C@@]3(CC[N@@H+](CC4CCOCC4)C3)C2=O)c1 ZINC000096050600 473273312 /nfs/dbraw/zinc/27/33/12/473273312.db2.gz KBUMPSBMIVXARB-OAQYLSRUSA-N 1 1 342.483 2.846 40 0 EFABMO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096050208 473273612 /nfs/dbraw/zinc/27/36/12/473273612.db2.gz HFMJLHNLRBLXQZ-LJQANCHMSA-N 1 1 341.480 2.671 40 0 EFABMO CN1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096050209 473273702 /nfs/dbraw/zinc/27/37/02/473273702.db2.gz STKUFVPFRNPCCH-IBGZPJMESA-N 1 1 341.480 2.671 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cncnc2)C3)c1 ZINC000096049530 473273740 /nfs/dbraw/zinc/27/37/40/473273740.db2.gz YNCODFZWNYMUAL-SFHVURJKSA-N 1 1 344.484 2.657 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](CC3CCOCC3)C2)CN1c1cccc(F)c1 ZINC000096050754 473273909 /nfs/dbraw/zinc/27/39/09/473273909.db2.gz XRDFXTRDRAEUFY-LJQANCHMSA-N 1 1 332.419 2.681 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096051587 473274967 /nfs/dbraw/zinc/27/49/67/473274967.db2.gz YCUOXXRMZPZGMA-KRWDZBQOSA-N 1 1 340.427 2.586 40 0 EFABMO O=C(NCC1CC1)[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052126 473274987 /nfs/dbraw/zinc/27/49/87/473274987.db2.gz SSJGZSOELUWJAD-INIZCTEOSA-N 1 1 334.485 2.503 40 0 EFABMO Cc1noc(C)c1CN1C[C@]2(CC[N@@H+](Cc3cccs3)C2)CC1=O ZINC000096050943 473275284 /nfs/dbraw/zinc/27/52/84/473275284.db2.gz CDBSZTQTHGNOJC-GOSISDBHSA-N 1 1 345.468 2.978 40 0 EFABMO COc1ccc(C[N@H+]2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)cc1 ZINC000096053686 473275356 /nfs/dbraw/zinc/27/53/56/473275356.db2.gz GEMKIUUZWCEECW-YOEHRIQHSA-N 1 1 328.437 2.852 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)o1 ZINC000096052309 473276417 /nfs/dbraw/zinc/27/64/17/473276417.db2.gz QTWXDAAEOHVMCC-MOPGFXCFSA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000096052309 473276422 /nfs/dbraw/zinc/27/64/22/473276422.db2.gz QTWXDAAEOHVMCC-MOPGFXCFSA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)o1 ZINC000096050907 473276964 /nfs/dbraw/zinc/27/69/64/473276964.db2.gz JLUOZIJIANMXDK-GOSISDBHSA-N 1 1 345.468 2.978 40 0 EFABMO c1ccc(OC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccncc4)[C@@H]3C2)nc1 ZINC000096055451 473277715 /nfs/dbraw/zinc/27/77/15/473277715.db2.gz OYUIADDKLBWBPC-RCCFBDPRSA-N 1 1 325.412 2.535 40 0 EFABMO c1ccc(OC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccncc4)[C@@H]3C2)nc1 ZINC000096055451 473277723 /nfs/dbraw/zinc/27/77/23/473277723.db2.gz OYUIADDKLBWBPC-RCCFBDPRSA-N 1 1 325.412 2.535 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055174 473277801 /nfs/dbraw/zinc/27/78/01/473277801.db2.gz YURKWFJEPMYZNM-IEBWSBKVSA-N 1 1 343.496 2.866 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)c1 ZINC000096055174 473277805 /nfs/dbraw/zinc/27/78/05/473277805.db2.gz YURKWFJEPMYZNM-IEBWSBKVSA-N 1 1 343.496 2.866 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)s1 ZINC000096054357 473277896 /nfs/dbraw/zinc/27/78/96/473277896.db2.gz LVVPYLRTPCKFOY-MSOLQXFVSA-N 1 1 347.484 2.747 40 0 EFABMO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096054358 473277959 /nfs/dbraw/zinc/27/79/59/473277959.db2.gz AWGUAPBQQJNINA-MOPGFXCFSA-N 1 1 345.418 2.516 40 0 EFABMO Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096054358 473277963 /nfs/dbraw/zinc/27/79/63/473277963.db2.gz AWGUAPBQQJNINA-MOPGFXCFSA-N 1 1 345.418 2.516 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3cccs3)[C@@H]3COC[C@H]23)cs1 ZINC000096055875 473278431 /nfs/dbraw/zinc/27/84/31/473278431.db2.gz JRGKXUSAMDGBDB-ARFHVFGLSA-N 1 1 336.482 2.929 40 0 EFABMO c1ccc(OC[C@@H]2C[C@H]3OCC[N@H+](Cc4ccncc4)[C@H]3C2)nc1 ZINC000096055453 473278515 /nfs/dbraw/zinc/27/85/15/473278515.db2.gz OYUIADDKLBWBPC-OKZBNKHCSA-N 1 1 325.412 2.535 40 0 EFABMO c1ccc(OC[C@@H]2C[C@H]3OCC[N@@H+](Cc4ccncc4)[C@H]3C2)nc1 ZINC000096055453 473278527 /nfs/dbraw/zinc/27/85/27/473278527.db2.gz OYUIADDKLBWBPC-OKZBNKHCSA-N 1 1 325.412 2.535 40 0 EFABMO c1cc(CN2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC000096055176 473278658 /nfs/dbraw/zinc/27/86/58/473278658.db2.gz MQJKXLPNQAOHJC-RTBURBONSA-N 1 1 343.496 2.866 40 0 EFABMO c1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)cs1 ZINC000096055176 473278664 /nfs/dbraw/zinc/27/86/64/473278664.db2.gz MQJKXLPNQAOHJC-RTBURBONSA-N 1 1 343.496 2.866 40 0 EFABMO COc1ccc(CN2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)cc1 ZINC000096055808 473279249 /nfs/dbraw/zinc/27/92/49/473279249.db2.gz QZFCQIHWMLCSAS-UXHICEINSA-N 1 1 330.472 2.770 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4cccs4)CC[N@H+]3C2)n1 ZINC000096055066 473279310 /nfs/dbraw/zinc/27/93/10/473279310.db2.gz ALPOSNWRPHAPTP-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055066 473279315 /nfs/dbraw/zinc/27/93/15/473279315.db2.gz ALPOSNWRPHAPTP-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@@H]3C[N@@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055066 473279323 /nfs/dbraw/zinc/27/93/23/473279323.db2.gz ALPOSNWRPHAPTP-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@H](OCc4ccccn4)C[C@H]3C2)cs1 ZINC000096055120 473279383 /nfs/dbraw/zinc/27/93/83/473279383.db2.gz OUPCXOYGLAYPHJ-ZWKOTPCHSA-N 1 1 329.469 2.618 40 0 EFABMO Cc1ccc(CN2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@@H]32)s1 ZINC000096055207 473279515 /nfs/dbraw/zinc/27/95/15/473279515.db2.gz HEYIOBUAGCPJTH-BPQIPLTHSA-N 1 1 338.517 2.614 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@H](OCc4ccccn4)C[C@@H]3C2)cs1 ZINC000096055118 473279870 /nfs/dbraw/zinc/27/98/70/473279870.db2.gz OUPCXOYGLAYPHJ-QZTJIDSGSA-N 1 1 329.469 2.618 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]21 ZINC000096056292 473281739 /nfs/dbraw/zinc/28/17/39/473281739.db2.gz ZMSOJVXWNHNFSV-ZYSHUDEJSA-N 1 1 330.428 2.842 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096056292 473281746 /nfs/dbraw/zinc/28/17/46/473281746.db2.gz ZMSOJVXWNHNFSV-ZYSHUDEJSA-N 1 1 330.428 2.842 40 0 EFABMO O=C(c1ccsc1)N1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC000096059409 473282936 /nfs/dbraw/zinc/28/29/36/473282936.db2.gz DFOGIPDKFWXAIV-UHFFFAOYSA-N 1 1 330.457 2.587 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)s1 ZINC000096058288 473283525 /nfs/dbraw/zinc/28/35/25/473283525.db2.gz VMKSKLQATUTMNM-IXDOHACOSA-N 1 1 334.485 2.562 40 0 EFABMO COc1ccc(CN2CCn3cc(C[NH+]4CCCCC4)nc3C2)cc1 ZINC000096059405 473284475 /nfs/dbraw/zinc/28/44/75/473284475.db2.gz UHNLHEXXAOZHIJ-UHFFFAOYSA-N 1 1 340.471 2.893 40 0 EFABMO Fc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096062471 473285462 /nfs/dbraw/zinc/28/54/62/473285462.db2.gz MPQIKMFGBJFJGM-HXUWFJFHSA-N 1 1 341.430 2.950 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2ccncc2)C3)c1 ZINC000096062407 473285667 /nfs/dbraw/zinc/28/56/67/473285667.db2.gz SBYRITAAWVPZAV-IBGZPJMESA-N 1 1 343.496 2.868 40 0 EFABMO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cccs2)C1 ZINC000096064942 473286404 /nfs/dbraw/zinc/28/64/04/473286404.db2.gz IAMYBYOGFYLVJO-KBRIMQKVSA-N 1 1 346.452 2.637 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096065946 473287305 /nfs/dbraw/zinc/28/73/05/473287305.db2.gz ZDNLCQWJCQHOFI-QRVBRYPASA-N 1 1 343.427 2.635 40 0 EFABMO O=C(c1ccncc1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096062847 473288173 /nfs/dbraw/zinc/28/81/73/473288173.db2.gz CKUHOUIIFYWQST-UHFFFAOYSA-N 1 1 336.439 2.605 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4cncn4C)C3)C2)c1 ZINC000096072580 473289236 /nfs/dbraw/zinc/28/92/36/473289236.db2.gz VMVOBMKRPPIXAG-MJGOQNOKSA-N 1 1 326.444 2.574 40 0 EFABMO COCCC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071055 473289382 /nfs/dbraw/zinc/28/93/82/473289382.db2.gz OUOPVPNNLITTLM-SFHVURJKSA-N 1 1 336.863 2.943 40 0 EFABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076256 473290475 /nfs/dbraw/zinc/29/04/75/473290475.db2.gz AWZLXMTXKQSXHK-FQEVSTJZSA-N 1 1 330.472 2.579 40 0 EFABMO COc1ncccc1CN1CCC[C@@]2(C[C@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000096075658 473290611 /nfs/dbraw/zinc/29/06/11/473290611.db2.gz IOMFUNZZLXZSCQ-OXQOHEQNSA-N 1 1 345.487 2.556 40 0 EFABMO COc1ncccc1CN1CCC[C@@]2(C[C@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000096075658 473290621 /nfs/dbraw/zinc/29/06/21/473290621.db2.gz IOMFUNZZLXZSCQ-OXQOHEQNSA-N 1 1 345.487 2.556 40 0 EFABMO Cn1ccc(C(=O)N[C@H]2CCC23CC[NH+](Cc2nccs2)CC3)c1 ZINC000096078367 473290891 /nfs/dbraw/zinc/29/08/91/473290891.db2.gz ILKANCIXTRVPGL-HNNXBMFYSA-N 1 1 344.484 2.656 40 0 EFABMO Cc1nc(C[N@@H+]2CCC23CCN(C(=O)c2cccnc2)CC3)cs1 ZINC000096077993 473291127 /nfs/dbraw/zinc/29/11/27/473291127.db2.gz YYAIPJBHKJMWCR-UHFFFAOYSA-N 1 1 342.468 2.727 40 0 EFABMO Cc1nc(C[N@H+]2CCC23CCN(C(=O)c2cccnc2)CC3)cs1 ZINC000096077993 473291131 /nfs/dbraw/zinc/29/11/31/473291131.db2.gz YYAIPJBHKJMWCR-UHFFFAOYSA-N 1 1 342.468 2.727 40 0 EFABMO CCCN1CCC([N@@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080584 473291460 /nfs/dbraw/zinc/29/14/60/473291460.db2.gz PEZVVCFAXYMTME-LPHOPBHVSA-N 1 1 342.487 2.709 40 0 EFABMO CCCN1CCC([N@H+]2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080584 473291467 /nfs/dbraw/zinc/29/14/67/473291467.db2.gz PEZVVCFAXYMTME-LPHOPBHVSA-N 1 1 342.487 2.709 40 0 EFABMO Cc1cccc(N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)[nH+]1 ZINC000096074002 473291736 /nfs/dbraw/zinc/29/17/36/473291736.db2.gz ALZHRBYXKUMOOR-FQEVSTJZSA-N 1 1 336.439 2.804 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccc(C)o1)CC2 ZINC000096078391 473292018 /nfs/dbraw/zinc/29/20/18/473292018.db2.gz XRKISKJGBCHQFZ-INIZCTEOSA-N 1 1 334.460 2.940 40 0 EFABMO CC(C)Nc1nc2c(c(NC(C)C)n1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096083845 473292354 /nfs/dbraw/zinc/29/23/54/473292354.db2.gz XWRITROSWQMLIS-OAHLLOKOSA-N 1 1 347.507 2.554 40 0 EFABMO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1cccnc1)CC2 ZINC000096084928 473293256 /nfs/dbraw/zinc/29/32/56/473293256.db2.gz KCRMISYBNOUDHD-UHFFFAOYSA-N 1 1 326.444 2.783 40 0 EFABMO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1cccnc1)CC2 ZINC000096084928 473293264 /nfs/dbraw/zinc/29/32/64/473293264.db2.gz KCRMISYBNOUDHD-UHFFFAOYSA-N 1 1 326.444 2.783 40 0 EFABMO CN1CCN(c2cc([C@H]3c4ccccc4CCC[N@H+]3C)ccn2)CC1 ZINC000096087168 473293475 /nfs/dbraw/zinc/29/34/75/473293475.db2.gz QHCAXUGFOAAYCE-NRFANRHFSA-N 1 1 336.483 2.801 40 0 EFABMO CN1CCN(c2cc([C@H]3c4ccccc4CCC[N@@H+]3C)ccn2)CC1 ZINC000096087168 473293480 /nfs/dbraw/zinc/29/34/80/473293480.db2.gz QHCAXUGFOAAYCE-NRFANRHFSA-N 1 1 336.483 2.801 40 0 EFABMO c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)cc1 ZINC000096108770 473301619 /nfs/dbraw/zinc/30/16/19/473301619.db2.gz QYUOIZVBZOBULQ-WOJBJXKFSA-N 1 1 331.456 2.578 40 0 EFABMO O=C(C1=CCCC1)N1C[C@@H]2C[N@@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108184 473302947 /nfs/dbraw/zinc/30/29/47/473302947.db2.gz MEGPGZACOFAJTB-DOTOQJQBSA-N 1 1 332.469 2.518 40 0 EFABMO Fc1cccc(O[C@H]2C[C@@H]3CN(Cc4cccnc4)CC[N@H+]3C2)c1 ZINC000096110703 473303353 /nfs/dbraw/zinc/30/33/53/473303353.db2.gz JSBVORPPEWRCAE-MJGOQNOKSA-N 1 1 327.403 2.558 40 0 EFABMO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4cccnc4)CC[N@H+]3C2)c1 ZINC000096110702 473303602 /nfs/dbraw/zinc/30/36/02/473303602.db2.gz JSBVORPPEWRCAE-IEBWSBKVSA-N 1 1 327.403 2.558 40 0 EFABMO c1ccc(OC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096110420 473304086 /nfs/dbraw/zinc/30/40/86/473304086.db2.gz MABDHEABYQYRKO-MJGOQNOKSA-N 1 1 325.412 2.537 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2cnn(C)c2)s1 ZINC000096110761 473304214 /nfs/dbraw/zinc/30/42/14/473304214.db2.gz LBDVDBLIQREAKM-HZPDHXFCSA-N 1 1 330.457 2.560 40 0 EFABMO COc1ccc(O[C@H]2COCC[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000096113227 473305860 /nfs/dbraw/zinc/30/58/60/473305860.db2.gz MCZHBZXLOLHVJR-HXUWFJFHSA-N 1 1 343.423 2.984 40 0 biogenic,in-vitro EFABMO O=C(c1cccc(Cl)c1)N1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC000096161489 473319705 /nfs/dbraw/zinc/31/97/05/473319705.db2.gz QHKIGGPWDAZWMR-CALCHBBNSA-N 1 1 341.842 2.939 40 0 EFABMO Cc1nc(C[N@H+]2CCC3(C2)CCN(c2ncccn2)CC3)cs1 ZINC000096157431 473316525 /nfs/dbraw/zinc/31/65/25/473316525.db2.gz NZWMKCVADKFVLT-UHFFFAOYSA-N 1 1 329.473 2.734 40 0 EFABMO O=C(C1CC=CC1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157424 473316688 /nfs/dbraw/zinc/31/66/88/473316688.db2.gz WTCXCIIDZYVYAQ-UHFFFAOYSA-N 1 1 325.456 2.862 40 0 EFABMO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3nccs3)C2)CC1 ZINC000096157450 473316864 /nfs/dbraw/zinc/31/68/64/473316864.db2.gz KUSBTNZFCWAEQP-UHFFFAOYSA-N 1 1 342.468 2.666 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096158246 473318332 /nfs/dbraw/zinc/31/83/32/473318332.db2.gz HJZXZEILEGWEBA-FQEVSTJZSA-N 1 1 338.455 2.978 40 0 EFABMO Cn1cccc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158056 473318481 /nfs/dbraw/zinc/31/84/81/473318481.db2.gz DJRYUYPQBYEDDY-FQEVSTJZSA-N 1 1 338.455 2.548 40 0 EFABMO Fc1cnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096158051 473318553 /nfs/dbraw/zinc/31/85/53/473318553.db2.gz DXDLKOYJWDPSMG-GOSISDBHSA-N 1 1 327.407 2.503 40 0 EFABMO O=C(c1cnccn1)N1CCC[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096158180 473318646 /nfs/dbraw/zinc/31/86/46/473318646.db2.gz ZDDOGURFCWRHAW-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO C[N@H+](Cc1ccco1)C[C@@H]1OC[C@H]2CN(Cc3nccs3)CC[C@H]21 ZINC000096185354 473327116 /nfs/dbraw/zinc/32/71/16/473327116.db2.gz WFVOQFLHJPWLBV-OIISXLGYSA-N 1 1 347.484 2.705 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096184197 473327885 /nfs/dbraw/zinc/32/78/85/473327885.db2.gz WBCUVVHJHZRSGA-ZWKOTPCHSA-N 1 1 325.412 2.667 40 0 EFABMO c1coc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)c1 ZINC000096186707 473328740 /nfs/dbraw/zinc/32/87/40/473328740.db2.gz HEMXYVSIMBJYHA-QYZOEREBSA-N 1 1 335.444 2.845 40 0 EFABMO Cc1nc(CO[C@H]2C[N@H+](Cc3ccco3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187139 473329289 /nfs/dbraw/zinc/32/92/89/473329289.db2.gz BVCOZJDQGYCNER-IKGGRYGDSA-N 1 1 334.441 2.993 40 0 EFABMO Cc1nc(CO[C@H]2C[N@@H+](Cc3ccco3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187139 473329296 /nfs/dbraw/zinc/32/92/96/473329296.db2.gz BVCOZJDQGYCNER-IKGGRYGDSA-N 1 1 334.441 2.993 40 0 EFABMO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)s1 ZINC000096188540 473330671 /nfs/dbraw/zinc/33/06/71/473330671.db2.gz SQVUAJSHBIRQBV-OAHLLOKOSA-N 1 1 327.457 2.782 40 0 EFABMO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](Cn3cccn3)C2)s1 ZINC000096188540 473330677 /nfs/dbraw/zinc/33/06/77/473330677.db2.gz SQVUAJSHBIRQBV-OAHLLOKOSA-N 1 1 327.457 2.782 40 0 EFABMO Cc1nc(CN2CCc3ncc(C[N@H+](C)C(C)C)n3CC2)cs1 ZINC000096196842 473332856 /nfs/dbraw/zinc/33/28/56/473332856.db2.gz LWEVULXNHZQLKG-UHFFFAOYSA-N 1 1 333.505 2.547 40 0 EFABMO Cc1noc(C)c1CN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC000096201206 473337008 /nfs/dbraw/zinc/33/70/08/473337008.db2.gz JQQYHIVJFRDEER-AWEZNQCLSA-N 1 1 331.464 2.905 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096202208 473337437 /nfs/dbraw/zinc/33/74/37/473337437.db2.gz OUYUCWYYRMADGF-GOSISDBHSA-N 1 1 347.484 2.769 40 0 EFABMO O=C(c1cccs1)N1CCOC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096202149 473338423 /nfs/dbraw/zinc/33/84/23/473338423.db2.gz YEUSXSCYSAGFHS-GOSISDBHSA-N 1 1 346.452 2.706 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096207586 473343841 /nfs/dbraw/zinc/34/38/41/473343841.db2.gz BNWJMVUCEIXTBU-INIZCTEOSA-N 1 1 336.863 2.913 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@H]21)NCCc1cccs1 ZINC000096208151 473343569 /nfs/dbraw/zinc/34/35/69/473343569.db2.gz QZEAVXCOFQPMIW-OLMNPRSZSA-N 1 1 348.512 2.686 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@@H]12)NCCc1cccs1 ZINC000096205931 473340109 /nfs/dbraw/zinc/34/01/09/473340109.db2.gz QZEAVXCOFQPMIW-ZTFGCOKTSA-N 1 1 348.512 2.686 40 0 EFABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3cccs3)C2)C1)c1ccco1 ZINC000096205932 473340628 /nfs/dbraw/zinc/34/06/28/473340628.db2.gz ZTLIWMTZPIUJKR-RDTXWAMCSA-N 1 1 346.452 2.895 40 0 EFABMO c1ncn2c1C[N@H+](Cc1ccccn1)C[C@H](COCc1ccncc1)C2 ZINC000096208007 473342634 /nfs/dbraw/zinc/34/26/34/473342634.db2.gz SCPMOGDUULBOEI-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO c1ncn2c1C[N@@H+](Cc1ccccn1)C[C@H](COCc1ccncc1)C2 ZINC000096208007 473342644 /nfs/dbraw/zinc/34/26/44/473342644.db2.gz SCPMOGDUULBOEI-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO Cn1cccc1C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)O1 ZINC000096207787 473342807 /nfs/dbraw/zinc/34/28/07/473342807.db2.gz JLYYKCJSSLIQTC-YLJYHZDGSA-N 1 1 345.487 2.711 40 0 EFABMO COC[C@H]1CCC2(CCN(C(=O)C3=CCCC3)CC2)[N@H+]1CC1CC1 ZINC000096209509 473344173 /nfs/dbraw/zinc/34/41/73/473344173.db2.gz RGXSZJJTCBBGNG-GOSISDBHSA-N 1 1 332.488 2.979 40 0 EFABMO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096209181 473344210 /nfs/dbraw/zinc/34/42/10/473344210.db2.gz YNMBNVRMUXFUEZ-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)c1 ZINC000096208704 473344860 /nfs/dbraw/zinc/34/48/60/473344860.db2.gz HFQMLLOUQDROFV-AZUAARDMSA-N 1 1 328.456 2.741 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC000096209609 473344888 /nfs/dbraw/zinc/34/48/88/473344888.db2.gz BVHCOLONSPYTNS-LPHOPBHVSA-N 1 1 343.427 2.889 40 0 EFABMO COC[C@@H]1CCC2(CCN(C(=O)c3ccc(F)cc3C)CC2)[N@H+]1C ZINC000096209329 473345081 /nfs/dbraw/zinc/34/50/81/473345081.db2.gz GCHWBLVXCWILCE-INIZCTEOSA-N 1 1 334.435 2.850 40 0 EFABMO Cc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H](N1CCCC1=O)CCO2 ZINC000096209212 473345348 /nfs/dbraw/zinc/34/53/48/473345348.db2.gz TYVMBSVWTGPQIL-UYAOXDASSA-N 1 1 328.456 2.741 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@H+](C3CCC3)CC[C@@H]12)NCc1cccs1 ZINC000096209126 473345737 /nfs/dbraw/zinc/34/57/37/473345737.db2.gz AMOHLNHKAWJMTQ-KBRIMQKVSA-N 1 1 334.485 2.644 40 0 EFABMO COC[C@@H]1CCC2(CCN(C(=O)c3cscn3)CC2)[N@H+]1CC1CC1 ZINC000096209925 473346163 /nfs/dbraw/zinc/34/61/63/473346163.db2.gz IWTNYXCMJIBLDL-HNNXBMFYSA-N 1 1 349.500 2.639 40 0 EFABMO c1coc(C[N@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096209861 473347591 /nfs/dbraw/zinc/34/75/91/473347591.db2.gz PFFAMAZDERQHJD-INIZCTEOSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3cncn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096209861 473347598 /nfs/dbraw/zinc/34/75/98/473347598.db2.gz PFFAMAZDERQHJD-INIZCTEOSA-N 1 1 338.411 2.720 40 0 EFABMO Clc1cncc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]23)c1 ZINC000096217240 473349341 /nfs/dbraw/zinc/34/93/41/473349341.db2.gz DSZWEIHALCTBFQ-ZTFGCOKTSA-N 1 1 345.830 2.656 40 0 EFABMO Cc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219504 473350987 /nfs/dbraw/zinc/35/09/87/473350987.db2.gz DAJPQBWOAQOSTH-YOEHRIQHSA-N 1 1 330.457 2.692 40 0 EFABMO Cc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219502 473351007 /nfs/dbraw/zinc/35/10/07/473351007.db2.gz DAJPQBWOAQOSTH-PBHICJAKSA-N 1 1 330.457 2.692 40 0 EFABMO Cc1cc(OC[C@H]2CO[C@@H]3CN(Cc4cccnc4)C[C@H]23)cc(C)[nH+]1 ZINC000096219451 473351070 /nfs/dbraw/zinc/35/10/70/473351070.db2.gz DGVABUUROXZFOW-DFQSSKMNSA-N 1 1 339.439 2.619 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096219312 473351591 /nfs/dbraw/zinc/35/15/91/473351591.db2.gz PZKZPORFVLMSDI-WMLDXEAASA-N 1 1 330.457 2.692 40 0 EFABMO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4cccs4)C[C@H]23)cn1 ZINC000096219452 473351631 /nfs/dbraw/zinc/35/16/31/473351631.db2.gz CDCXYJYIWOEZIK-ZTFGCOKTSA-N 1 1 330.453 2.977 40 0 EFABMO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCc1ccccc1)C2 ZINC000096219361 473351784 /nfs/dbraw/zinc/35/17/84/473351784.db2.gz FTFUZLVBSZSKEJ-RTWAWAEBSA-N 1 1 328.500 2.909 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCc1ccccc1)C2 ZINC000096219361 473351792 /nfs/dbraw/zinc/35/17/92/473351792.db2.gz FTFUZLVBSZSKEJ-RTWAWAEBSA-N 1 1 328.500 2.909 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C[C@H](Nc3ncccc3F)CO2)C1 ZINC000096219175 473352697 /nfs/dbraw/zinc/35/26/97/473352697.db2.gz SGPXYXMELVKMCZ-KSSFIOAISA-N 1 1 346.406 2.671 40 0 EFABMO c1ncn2c1C[N@@H+](CC1CCC1)C[C@H](COCc1ccccn1)C2 ZINC000096219864 473353736 /nfs/dbraw/zinc/35/37/36/473353736.db2.gz KSMLABYYTZIDMD-KRWDZBQOSA-N 1 1 326.444 2.727 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cccc(C)c1)C2 ZINC000096219895 473354608 /nfs/dbraw/zinc/35/46/08/473354608.db2.gz AVRTVGRDSJUOLA-TZIWHRDSSA-N 1 1 342.483 2.816 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nc1 ZINC000096223254 473355044 /nfs/dbraw/zinc/35/50/44/473355044.db2.gz BIYGMVOIBRKRIP-WMLDXEAASA-N 1 1 348.447 2.913 40 0 EFABMO O=C1N(c2cncnc2)CC[C@@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096224563 473355513 /nfs/dbraw/zinc/35/55/13/473355513.db2.gz ONPLKKXABNBYMZ-QGZVFWFLSA-N 1 1 328.441 2.557 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096223643 473355864 /nfs/dbraw/zinc/35/58/64/473355864.db2.gz DBIIQEDIFLRMMA-VQTJNVASSA-N 1 1 339.439 2.988 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(c4cncnc4)C3=O)C2)s1 ZINC000096224566 473356025 /nfs/dbraw/zinc/35/60/25/473356025.db2.gz CHNUCXXEKYAWAZ-SFHVURJKSA-N 1 1 342.468 2.866 40 0 EFABMO Fc1cnc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccs2)CCO3)nc1 ZINC000096226579 473357894 /nfs/dbraw/zinc/35/78/94/473357894.db2.gz YQHPBGCSJBNRLM-KRWDZBQOSA-N 1 1 348.447 2.549 40 0 EFABMO Fc1cnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC000096226579 473357900 /nfs/dbraw/zinc/35/79/00/473357900.db2.gz YQHPBGCSJBNRLM-KRWDZBQOSA-N 1 1 348.447 2.549 40 0 EFABMO Cc1ccc(N2CCC[C@]3(C2)C[N@H+](Cc2cccs2)CCO3)nn1 ZINC000096226553 473357965 /nfs/dbraw/zinc/35/79/65/473357965.db2.gz WBTYCZLVEBXJJB-GOSISDBHSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1ccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccs2)CCO3)nn1 ZINC000096226553 473357972 /nfs/dbraw/zinc/35/79/72/473357972.db2.gz WBTYCZLVEBXJJB-GOSISDBHSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)s1 ZINC000096226501 473358143 /nfs/dbraw/zinc/35/81/43/473358143.db2.gz ZEPFGQPEFSUTBG-SFHVURJKSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)s1 ZINC000096226501 473358148 /nfs/dbraw/zinc/35/81/48/473358148.db2.gz ZEPFGQPEFSUTBG-SFHVURJKSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1cnc(N2CC[C@@H](F)[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)nc1 ZINC000096241254 473362854 /nfs/dbraw/zinc/36/28/54/473362854.db2.gz XUYSOBWSOWHXHL-AEFFLSMTSA-N 1 1 330.407 2.819 40 0 EFABMO c1coc(C[N@@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229315 473359885 /nfs/dbraw/zinc/35/98/85/473359885.db2.gz BIHSHVPOSCPDEF-HXUWFJFHSA-N 1 1 341.455 2.789 40 0 EFABMO FCC[N@H+]1Cc2ccccc2C2(CCN(c3cnccn3)CC2)C1 ZINC000096242565 473362551 /nfs/dbraw/zinc/36/25/51/473362551.db2.gz NVUZCUMRYAGIJS-UHFFFAOYSA-N 1 1 326.419 2.800 40 0 EFABMO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccsc4)C[C@@H]3C2=O)n1 ZINC000096245364 473363587 /nfs/dbraw/zinc/36/35/87/473363587.db2.gz LZQRSPUVVDZGQF-RDJZCZTQSA-N 1 1 327.453 2.542 40 0 EFABMO O=C1[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2CCN1Cc1ccncc1 ZINC000096249092 473364333 /nfs/dbraw/zinc/36/43/33/473364333.db2.gz RYNLUJVHOCQDOL-NVXWUHKLSA-N 1 1 327.453 2.624 40 0 EFABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccsc4)C[C@@H]3C2=O)cs1 ZINC000096245217 473364418 /nfs/dbraw/zinc/36/44/18/473364418.db2.gz RWUWFVBIGZCPOL-ZFWWWQNUSA-N 1 1 333.482 2.603 40 0 EFABMO O=C(c1ccsc1)N1CCO[C@@H]2C[N@@H+](Cc3ccco3)CC[C@@H]2C1 ZINC000096249885 473364577 /nfs/dbraw/zinc/36/45/77/473364577.db2.gz ZTDLTTDZNWAPTP-RHSMWYFYSA-N 1 1 346.452 2.704 40 0 EFABMO Cc1nc(CN2CCO[C@H]3CC[N@@H+](Cc4ccoc4)CC[C@@H]32)cs1 ZINC000096249399 473364693 /nfs/dbraw/zinc/36/46/93/473364693.db2.gz AQIJKKNHIMJDJT-ROUUACIJSA-N 1 1 347.484 2.910 40 0 EFABMO Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)c1 ZINC000096246152 473365298 /nfs/dbraw/zinc/36/52/98/473365298.db2.gz OZXDVJKMFLKAHS-IPMKNSEASA-N 1 1 328.456 2.568 40 0 EFABMO Cc1ccc(CN2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096249679 473365375 /nfs/dbraw/zinc/36/53/75/473365375.db2.gz SGCDWWBDNBSCNK-AZUAARDMSA-N 1 1 341.455 2.706 40 0 EFABMO Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)o1 ZINC000096249679 473365384 /nfs/dbraw/zinc/36/53/84/473365384.db2.gz SGCDWWBDNBSCNK-AZUAARDMSA-N 1 1 341.455 2.706 40 0 EFABMO COC1=C[C@@]2(C)Oc3c4c(ccc3OC)C[C@@H]3C(=C1)[C@@]42CC[N@H+]3C ZINC000096316409 473375080 /nfs/dbraw/zinc/37/50/80/473375080.db2.gz OCGWLMGQNPQBHG-YSGRDPCXSA-N 1 1 325.408 2.815 40 0 biogenic,in-vitro EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000096407629 473385798 /nfs/dbraw/zinc/38/57/98/473385798.db2.gz VRAUXVFFZSRMEU-KSSFIOAISA-N 1 1 327.403 2.861 40 0 EFABMO CC[C@H]1CN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C[C@H](C)O1 ZINC000096408939 473386832 /nfs/dbraw/zinc/38/68/32/473386832.db2.gz XSIZTRUPACPMRC-RDJZCZTQSA-N 1 1 346.475 2.568 40 0 EFABMO C[C@@H](c1ccc(NC(=O)NCc2ccncc2)cc1)[NH+]1CCOCC1 ZINC000096410657 473388846 /nfs/dbraw/zinc/38/88/46/473388846.db2.gz KWDPPLJNTGDBKX-HNNXBMFYSA-N 1 1 340.427 2.797 40 0 EFABMO CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1-c1nncn1C ZINC000096411189 473389810 /nfs/dbraw/zinc/38/98/10/473389810.db2.gz QSVLDEAITGEVAN-UHFFFAOYSA-N 1 1 329.448 2.933 40 0 EFABMO CC[N@H+]1CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000390430 471354333 /nfs/dbraw/zinc/35/43/33/471354333.db2.gz OJYOTLHNSMYONM-IBGZPJMESA-N 1 1 339.435 2.950 40 0 EFABMO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)COc1ccccc1)CC2 ZINC000000518456 471367498 /nfs/dbraw/zinc/36/74/98/471367498.db2.gz KUYHKHWEQQKGIQ-QGZVFWFLSA-N 1 1 343.423 2.502 40 0 biogenic EFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COc1ccccc1)CC2 ZINC000000518456 471367501 /nfs/dbraw/zinc/36/75/01/471367501.db2.gz KUYHKHWEQQKGIQ-QGZVFWFLSA-N 1 1 343.423 2.502 40 0 biogenic EFABMO COC(=O)[C@H]1C[C@@]23CCC[N@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000001280293 471385363 /nfs/dbraw/zinc/38/53/63/471385363.db2.gz CZLWGXKWXLVFJU-JBJYXUDUSA-N 1 1 338.451 2.786 40 0 EFABMO CC[N@H+]1CC[C@@](O)(c2ccc(O)cc2)[C@H](C(=O)c2ccc(O)cc2)C1 ZINC000005807732 471520955 /nfs/dbraw/zinc/52/09/55/471520955.db2.gz MCZXWOOFKFFDNJ-AZUAARDMSA-N 1 1 341.407 2.510 40 0 EFABMO CCC[N@@H+]1C[C@H](CS(C)(=O)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834067 471523474 /nfs/dbraw/zinc/52/34/74/471523474.db2.gz BRFHHAXHZFOBNY-MZMPZRCHSA-N 1 1 346.496 2.953 40 0 in-vitro EFABMO CCC[N@H+]1C[C@H](CS(C)(=O)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834067 471523481 /nfs/dbraw/zinc/52/34/81/471523481.db2.gz BRFHHAXHZFOBNY-MZMPZRCHSA-N 1 1 346.496 2.953 40 0 in-vitro EFABMO C[N@@H+](CC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000008126597 471663981 /nfs/dbraw/zinc/66/39/81/471663981.db2.gz GAYFHICMHXUKBG-GOSISDBHSA-N 1 1 337.423 2.733 40 0 EFABMO COC(=O)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000008267661 471675888 /nfs/dbraw/zinc/67/58/88/471675888.db2.gz HRPBXLQVYZVWKH-SJLPKXTDSA-N 1 1 344.455 2.602 40 0 EFABMO COCCc1ncc(C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188456 471767134 /nfs/dbraw/zinc/76/71/34/471767134.db2.gz AHLFHWXDSYDUDY-UHFFFAOYSA-N 1 1 338.411 2.551 40 0 EFABMO COCCc1ncc(C[N@@H+](C)Cc2cc(=O)[nH]c3ccccc23)cn1 ZINC000012188456 471767136 /nfs/dbraw/zinc/76/71/36/471767136.db2.gz AHLFHWXDSYDUDY-UHFFFAOYSA-N 1 1 338.411 2.551 40 0 EFABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)on1 ZINC000013226071 471822914 /nfs/dbraw/zinc/82/29/14/471822914.db2.gz NFIQCQLVOZRRFG-QWHCGFSZSA-N 1 1 334.445 2.717 40 0 EFABMO c1csc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000013569027 471833826 /nfs/dbraw/zinc/83/38/26/471833826.db2.gz QNABMOLIQKEKET-UHFFFAOYSA-N 1 1 331.485 2.868 40 0 EFABMO Cc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015674458 471914381 /nfs/dbraw/zinc/91/43/81/471914381.db2.gz TVCDSRCFVPLRFC-SJORKVTESA-N 1 1 336.395 2.748 40 0 biogenic,in-vitro EFABMO Cc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015674458 471914383 /nfs/dbraw/zinc/91/43/83/471914383.db2.gz TVCDSRCFVPLRFC-SJORKVTESA-N 1 1 336.395 2.748 40 0 biogenic,in-vitro EFABMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000016758623 471949966 /nfs/dbraw/zinc/94/99/66/471949966.db2.gz ISPHFZPMFSPCHK-QGZVFWFLSA-N 1 1 344.430 2.696 40 0 EFABMO C[N@H+](Cc1nnc(-c2ccccc2)o1)CC(C)(C)CN1CCOCC1 ZINC000019084961 471976792 /nfs/dbraw/zinc/97/67/92/471976792.db2.gz NNLIGJYHCXEEQE-UHFFFAOYSA-N 1 1 344.459 2.527 40 0 EFABMO C[N@@H+](Cc1nnc(-c2ccccc2)o1)CC(C)(C)CN1CCOCC1 ZINC000019084961 471976796 /nfs/dbraw/zinc/97/67/96/471976796.db2.gz NNLIGJYHCXEEQE-UHFFFAOYSA-N 1 1 344.459 2.527 40 0 EFABMO CN(Cc1nnc(-c2ccccc2)o1)CC(C)(C)C[NH+]1CCOCC1 ZINC000019084961 471976801 /nfs/dbraw/zinc/97/68/01/471976801.db2.gz NNLIGJYHCXEEQE-UHFFFAOYSA-N 1 1 344.459 2.527 40 0 EFABMO Cc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000019237265 471978584 /nfs/dbraw/zinc/97/85/84/471978584.db2.gz HWCRZKYADOESCK-FDFHNCONSA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1 ZINC000019237265 471978587 /nfs/dbraw/zinc/97/85/87/471978587.db2.gz HWCRZKYADOESCK-FDFHNCONSA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccccc1C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1 ZINC000019237265 471978590 /nfs/dbraw/zinc/97/85/90/471978590.db2.gz HWCRZKYADOESCK-FDFHNCONSA-N 1 1 336.479 2.857 40 0 EFABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)no1)N1CCCC1 ZINC000019401661 471979814 /nfs/dbraw/zinc/97/98/14/471979814.db2.gz AKCSPLPDODSSFU-HNNXBMFYSA-N 1 1 340.427 2.685 40 0 EFABMO O[C@@H]1C[C@H]2CN(Cc3ccsc3)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372796 471980046 /nfs/dbraw/zinc/98/00/46/471980046.db2.gz DTPXCMUJTPLMIX-GBESFXJTSA-N 1 1 328.481 2.610 40 0 EFABMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000019342966 471980331 /nfs/dbraw/zinc/98/03/31/471980331.db2.gz JNIBHYAJTCUVJN-HZPDHXFCSA-N 1 1 336.501 2.896 40 0 EFABMO CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000019693753 471982764 /nfs/dbraw/zinc/98/27/64/471982764.db2.gz WLNRFYIBOLVYQI-AWEZNQCLSA-N 1 1 342.491 2.779 40 0 EFABMO CC[N@@H+](C)[C@@H]1CN(C(=O)CCn2nc(C)nc2C)C2(C1)CCCCC2 ZINC000019703942 471982890 /nfs/dbraw/zinc/98/28/90/471982890.db2.gz XFNSIFGUEJAZPL-KRWDZBQOSA-N 1 1 347.507 2.541 40 0 EFABMO COc1cccc(OC)c1C[N@H+]1CCCC[C@@H]2[C@H]1CCN2C(C)=O ZINC000019712362 471982931 /nfs/dbraw/zinc/98/29/31/471982931.db2.gz LXSDDONGPUUWKT-IAGOWNOFSA-N 1 1 332.444 2.679 40 0 EFABMO COc1ccc(C[N@H+]2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1OC ZINC000019712584 471984073 /nfs/dbraw/zinc/98/40/73/471984073.db2.gz QDWGJUXBQIHJEI-IAGOWNOFSA-N 1 1 332.444 2.679 40 0 EFABMO C[NH+]1CCN(C(=O)Cc2cccc(-c3nc4ccccc4o3)c2)CC1 ZINC000041127622 472046660 /nfs/dbraw/zinc/04/66/60/472046660.db2.gz PQQKUKCAFHKYEP-UHFFFAOYSA-N 1 1 335.407 2.811 40 0 EFABMO CC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000041283515 472053324 /nfs/dbraw/zinc/05/33/24/472053324.db2.gz ANSWTOYLWMDQFZ-UHFFFAOYSA-N 1 1 340.349 2.893 40 0 EFABMO Cc1ccccc1CCNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000024762049 472066924 /nfs/dbraw/zinc/06/69/24/472066924.db2.gz YUKNJDZQJKZHEY-CALCHBBNSA-N 1 1 347.503 2.725 40 0 EFABMO Cc1ccccc1CCNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000024762049 472066928 /nfs/dbraw/zinc/06/69/28/472066928.db2.gz YUKNJDZQJKZHEY-CALCHBBNSA-N 1 1 347.503 2.725 40 0 EFABMO O=C(C1CC[NH+](Cc2cc(-c3ccco3)on2)CC1)N1CCCC1 ZINC000025754578 472110484 /nfs/dbraw/zinc/11/04/84/472110484.db2.gz QGYAIBGTGHCLDD-UHFFFAOYSA-N 1 1 329.400 2.769 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(SC)n3C)C2)cc1 ZINC000026441085 472135467 /nfs/dbraw/zinc/13/54/67/472135467.db2.gz DWADXOMINRMLEG-CQSZACIVSA-N 1 1 332.473 2.925 40 0 EFABMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000084157323 472152436 /nfs/dbraw/zinc/15/24/36/472152436.db2.gz HILXCUYLIQNYJQ-KBPBESRZSA-N 1 1 333.398 2.987 40 0 EFABMO CCOc1ccccc1OCCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000075644815 472175162 /nfs/dbraw/zinc/17/51/62/472175162.db2.gz KCTNKKUNXZGTLP-QGZVFWFLSA-N 1 1 348.487 2.649 40 0 EFABMO CCOc1ccccc1OCCN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000075644815 472175170 /nfs/dbraw/zinc/17/51/70/472175170.db2.gz KCTNKKUNXZGTLP-QGZVFWFLSA-N 1 1 348.487 2.649 40 0 EFABMO Cc1sc(NC(=O)C[NH+]2CCC(C(=O)NC3CC3)CC2)c(C)c1C ZINC000075644319 472175732 /nfs/dbraw/zinc/17/57/32/472175732.db2.gz XYTBWOCGYWLAGJ-UHFFFAOYSA-N 1 1 349.500 2.602 40 0 EFABMO COCC[N@H+](C)Cc1ccnc(NC(=O)Cc2ccc(F)c(F)c2)c1 ZINC000087456448 472337216 /nfs/dbraw/zinc/33/72/16/472337216.db2.gz RAHCVQMFDKAPKN-UHFFFAOYSA-N 1 1 349.381 2.619 40 0 EFABMO COCC[N@@H+](C)Cc1ccnc(NC(=O)Cc2ccc(F)c(F)c2)c1 ZINC000087456448 472337222 /nfs/dbraw/zinc/33/72/22/472337222.db2.gz RAHCVQMFDKAPKN-UHFFFAOYSA-N 1 1 349.381 2.619 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccccc1 ZINC000044847715 472342989 /nfs/dbraw/zinc/34/29/89/472342989.db2.gz ZMLTVULQGKKRSM-UHFFFAOYSA-N 1 1 327.409 2.659 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1cccnc1 ZINC000076480434 472352883 /nfs/dbraw/zinc/35/28/83/472352883.db2.gz GNLSMPCFSDFWLS-PXNSSMCTSA-N 1 1 337.467 2.993 40 0 EFABMO C[NH+]1CCN(C(=S)N(C(=O)c2cccs2)c2ccccc2)CC1 ZINC000031852192 472399106 /nfs/dbraw/zinc/39/91/06/472399106.db2.gz HMGGNKKCJIPZTP-UHFFFAOYSA-N 1 1 345.493 2.927 40 0 EFABMO CC(=O)N1CC[C@H](C[N@@H+](C)CCc2cccc(Br)c2)C1 ZINC000097095446 472444160 /nfs/dbraw/zinc/44/41/60/472444160.db2.gz KZVVEWDQEHQGQQ-OAHLLOKOSA-N 1 1 339.277 2.792 40 0 EFABMO CCCc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000097101211 472446953 /nfs/dbraw/zinc/44/69/53/472446953.db2.gz IYMWQNWZKZGQQF-INIZCTEOSA-N 1 1 331.460 2.825 40 0 EFABMO CCCc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000097104139 472448115 /nfs/dbraw/zinc/44/81/15/472448115.db2.gz LBITWRVBIAPGBJ-QGZVFWFLSA-N 1 1 331.460 2.825 40 0 EFABMO CCOc1ncccc1CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228280 472483995 /nfs/dbraw/zinc/48/39/95/472483995.db2.gz CLFIDMRHBRIWGB-QFBILLFUSA-N 1 1 340.471 2.876 40 0 EFABMO CCOc1ncccc1CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000097228280 472484002 /nfs/dbraw/zinc/48/40/02/472484002.db2.gz CLFIDMRHBRIWGB-QFBILLFUSA-N 1 1 340.471 2.876 40 0 EFABMO COC(=O)c1ccc(Cl)c(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000097237240 472486006 /nfs/dbraw/zinc/48/60/06/472486006.db2.gz LJCUKSLUWYZLPM-UHFFFAOYSA-N 1 1 334.807 2.555 40 0 EFABMO c1snnc1CN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000097373133 472493571 /nfs/dbraw/zinc/49/35/71/472493571.db2.gz MOODXJKMMJJRAQ-JQHSSLGASA-N 1 1 328.485 2.928 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC1=CCOCC1 ZINC000097378423 472494681 /nfs/dbraw/zinc/49/46/81/472494681.db2.gz VVUZWWUATXCKBM-APWZRJJASA-N 1 1 343.471 2.543 40 0 EFABMO O=C(C[NH+]1CCC(COCc2ccccc2)CC1)NCc1ccco1 ZINC000070655722 472501710 /nfs/dbraw/zinc/50/17/10/472501710.db2.gz PURPOSSSVULYLZ-UHFFFAOYSA-N 1 1 342.439 2.825 40 0 EFABMO CC[N@H+]1CCC[C@](O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000046087866 472509864 /nfs/dbraw/zinc/50/98/64/472509864.db2.gz PFVZJFGECIWPMA-LJQANCHMSA-N 1 1 331.435 2.512 40 0 EFABMO CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000058439167 472570243 /nfs/dbraw/zinc/57/02/43/472570243.db2.gz VNGIVLTWZQTNCN-ZDUSSCGKSA-N 1 1 346.443 2.898 40 0 EFABMO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000090513333 472629099 /nfs/dbraw/zinc/62/90/99/472629099.db2.gz MWXCPUSYMMSJEN-UHFFFAOYSA-N 1 1 328.387 2.935 40 0 EFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N)cc2C)cc1 ZINC000072218510 472634074 /nfs/dbraw/zinc/63/40/74/472634074.db2.gz HNYROTYHFSZLHX-INIZCTEOSA-N 1 1 331.441 2.806 40 0 EFABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000072227842 472634539 /nfs/dbraw/zinc/63/45/39/472634539.db2.gz JHWJVTCSVRULKD-ZWKOTPCHSA-N 1 1 326.396 2.736 40 0 EFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1Cl ZINC000072227693 472634907 /nfs/dbraw/zinc/63/49/07/472634907.db2.gz DJYCJPQFAIWNAT-CVEARBPZSA-N 1 1 330.771 2.526 40 0 EFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000072227700 472635343 /nfs/dbraw/zinc/63/53/43/472635343.db2.gz PIMJTRDBCKDLPU-HZPDHXFCSA-N 1 1 330.771 2.526 40 0 EFABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228069 472636591 /nfs/dbraw/zinc/63/65/91/472636591.db2.gz CRSVQWIHIPFAJZ-MSOLQXFVSA-N 1 1 342.395 2.518 40 0 EFABMO CCCc1nnsc1C(=O)N1CCC(Cn2cc[nH+]c2CC)CC1 ZINC000062129755 472730433 /nfs/dbraw/zinc/73/04/33/472730433.db2.gz JXFNUSJULOMJTH-UHFFFAOYSA-N 1 1 347.488 2.802 40 0 EFABMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)s1 ZINC000091630987 472787607 /nfs/dbraw/zinc/78/76/07/472787607.db2.gz BVBZBTLDOYSICK-GFCCVEGCSA-N 1 1 346.456 2.841 40 0 EFABMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3occc3C)cc2)CC1 ZINC000048345148 472861774 /nfs/dbraw/zinc/86/17/74/472861774.db2.gz PTEKNLLBTHFPRF-UHFFFAOYSA-N 1 1 341.455 2.656 40 0 EFABMO O[C@@H](C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C(F)(F)F ZINC000158142617 472897186 /nfs/dbraw/zinc/89/71/86/472897186.db2.gz QFYSXNODCJMNOU-ZDUSSCGKSA-N 1 1 325.277 2.731 40 0 EFABMO CCS(=O)(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000065230431 472910621 /nfs/dbraw/zinc/91/06/21/472910621.db2.gz OFOBRCUIFNATNR-UHFFFAOYSA-N 1 1 327.837 2.630 40 0 EFABMO CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@@H+](C3CCOCC3)C[C@@H]21 ZINC000107197526 472932039 /nfs/dbraw/zinc/93/20/39/472932039.db2.gz YOYZGQQPDOCDEE-YZGWKJHDSA-N 1 1 329.488 2.793 40 0 EFABMO CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2C[N@H+](C3CCOCC3)C[C@@H]21 ZINC000107197526 472932044 /nfs/dbraw/zinc/93/20/44/472932044.db2.gz YOYZGQQPDOCDEE-YZGWKJHDSA-N 1 1 329.488 2.793 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC000107204562 472933359 /nfs/dbraw/zinc/93/33/59/472933359.db2.gz ANFVCLGBMMTDHL-QRVBRYPASA-N 1 1 345.443 2.748 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC000107204562 472933364 /nfs/dbraw/zinc/93/33/64/472933364.db2.gz ANFVCLGBMMTDHL-QRVBRYPASA-N 1 1 345.443 2.748 40 0 EFABMO CCCc1nnc([C@H]2CC[N@@H+](Cc3ccc(NC(C)=O)cc3)C2)o1 ZINC000049170346 472934003 /nfs/dbraw/zinc/93/40/03/472934003.db2.gz RDQOSXJMXBUNOJ-HNNXBMFYSA-N 1 1 328.416 2.970 40 0 biogenic,in-vitro EFABMO CN1CCC([N@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)CC1 ZINC000049170555 472934562 /nfs/dbraw/zinc/93/45/62/472934562.db2.gz ZDJGEUQJYIWLTI-ZDUSSCGKSA-N 1 1 330.407 2.759 40 0 biogenic,in-vitro EFABMO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000074064502 472935186 /nfs/dbraw/zinc/93/51/86/472935186.db2.gz BIYFEYDDTSUFLM-CVEARBPZSA-N 1 1 340.471 2.897 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nc1 ZINC000107228693 472935357 /nfs/dbraw/zinc/93/53/57/472935357.db2.gz BIYGMVOIBRKRIP-RHSMWYFYSA-N 1 1 348.447 2.913 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cn1 ZINC000107712123 472976916 /nfs/dbraw/zinc/97/69/16/472976916.db2.gz ADQWHPHVUMRGFK-UXHICEINSA-N 1 1 347.503 2.998 40 0 EFABMO O=C(Cc1cccs1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC000107709546 472978000 /nfs/dbraw/zinc/97/80/00/472978000.db2.gz RGBWDKHDGVTFEF-SJORKVTESA-N 1 1 327.453 2.561 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107730808 472978698 /nfs/dbraw/zinc/97/86/98/472978698.db2.gz GYXAQIDRUQQLRO-PBHICJAKSA-N 1 1 330.457 2.774 40 0 EFABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](COc4ncccn4)CC[C@@H]32)cs1 ZINC000107747247 472979254 /nfs/dbraw/zinc/97/92/54/472979254.db2.gz MEMMVXVCBHUVHQ-JYJNAYRXSA-N 1 1 331.441 2.597 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](COc4ncccn4)CC[C@@H]32)cs1 ZINC000107747247 472979259 /nfs/dbraw/zinc/97/92/59/472979259.db2.gz MEMMVXVCBHUVHQ-JYJNAYRXSA-N 1 1 331.441 2.597 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107787677 472983052 /nfs/dbraw/zinc/98/30/52/472983052.db2.gz NXQJJXWQEMDRAY-PBHICJAKSA-N 1 1 330.457 2.774 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107822037 472984410 /nfs/dbraw/zinc/98/44/10/472984410.db2.gz WGBMNJFLCDDFLK-RHSMWYFYSA-N 1 1 348.447 2.831 40 0 EFABMO Cc1cccc(C)c1C[N@H+]1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1 ZINC000108525037 473034029 /nfs/dbraw/zinc/03/40/29/473034029.db2.gz NWEVBGCZPPXXEA-UHFFFAOYSA-N 1 1 348.512 2.740 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108527582 473035399 /nfs/dbraw/zinc/03/53/99/473035399.db2.gz WWUUJCWGUKIEBL-CRAIPNDOSA-N 1 1 349.500 2.998 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532084 473035480 /nfs/dbraw/zinc/03/54/80/473035480.db2.gz LOQWFVZBCMTYCW-CRAIPNDOSA-N 1 1 349.425 2.860 40 0 EFABMO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1cccnc1)C2)N1CCCCO1 ZINC000108532747 473035741 /nfs/dbraw/zinc/03/57/41/473035741.db2.gz BHMXYDYNSYLRLL-IEBWSBKVSA-N 1 1 329.444 2.628 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108536437 473037241 /nfs/dbraw/zinc/03/72/41/473037241.db2.gz WWUUJCWGUKIEBL-MAUKXSAKSA-N 1 1 349.500 2.998 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108536445 473037652 /nfs/dbraw/zinc/03/76/52/473037652.db2.gz WWUUJCWGUKIEBL-QAPCUYQASA-N 1 1 349.500 2.998 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108534808 473037821 /nfs/dbraw/zinc/03/78/21/473037821.db2.gz DMIYSAKEXNHGTC-MAUKXSAKSA-N 1 1 333.501 2.970 40 0 EFABMO COCc1nc(C)cc(N2CCC(Nc3cccc(C)[nH+]3)CC2)n1 ZINC000080680413 473068670 /nfs/dbraw/zinc/06/86/70/473068670.db2.gz KWGIVBZBFJUVFJ-UHFFFAOYSA-N 1 1 327.432 2.716 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000108972998 473072033 /nfs/dbraw/zinc/07/20/33/473072033.db2.gz MNZZOMKZJVSRPQ-ZIAGYGMSSA-N 1 1 336.407 2.736 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000108972998 473072039 /nfs/dbraw/zinc/07/20/39/473072039.db2.gz MNZZOMKZJVSRPQ-ZIAGYGMSSA-N 1 1 336.407 2.736 40 0 EFABMO COc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000074959639 473104371 /nfs/dbraw/zinc/10/43/71/473104371.db2.gz VOXHADJUKIMCJN-UHFFFAOYSA-N 1 1 338.451 2.891 40 0 EFABMO CC[C@@H](C(=O)N1CCC[N@@H+](CCn2cccn2)CC1)c1ccccc1 ZINC000075162618 473142804 /nfs/dbraw/zinc/14/28/04/473142804.db2.gz LSLWXCROHMOCIX-LJQANCHMSA-N 1 1 340.471 2.611 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(F)c1 ZINC000110597955 473164881 /nfs/dbraw/zinc/16/48/81/473164881.db2.gz VRAUXVFFZSRMEU-KBXCAEBGSA-N 1 1 327.403 2.861 40 0 EFABMO C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000110654702 473168709 /nfs/dbraw/zinc/16/87/09/473168709.db2.gz FKPGJQKPCIHSAO-IFXJQAMLSA-N 1 1 327.403 2.920 40 0 EFABMO C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@H]1c1cccc(F)c1 ZINC000110654702 473168714 /nfs/dbraw/zinc/16/87/14/473168714.db2.gz FKPGJQKPCIHSAO-IFXJQAMLSA-N 1 1 327.403 2.920 40 0 EFABMO CC(C)[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000110711192 473172608 /nfs/dbraw/zinc/17/26/08/473172608.db2.gz AIVDXXROGHJLOH-FUHWJXTLSA-N 1 1 348.397 2.571 40 0 EFABMO CC(C)[N@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)[C@H]1c1ccc(F)c(F)c1 ZINC000110711192 473172615 /nfs/dbraw/zinc/17/26/15/473172615.db2.gz AIVDXXROGHJLOH-FUHWJXTLSA-N 1 1 348.397 2.571 40 0 EFABMO COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000162903766 473394674 /nfs/dbraw/zinc/39/46/74/473394674.db2.gz HVWOIKDOAPKBBA-SFHVURJKSA-N 1 1 327.428 2.822 40 0 EFABMO COc1ccc(OC)c2c1C[N@@H+](CCc1scnc1C)C[C@@H]2O ZINC000096414822 473394648 /nfs/dbraw/zinc/39/46/48/473394648.db2.gz AHTUNKJKMIGCAZ-ZDUSSCGKSA-N 1 1 334.441 2.560 40 0 EFABMO CCOC(=O)CCCC[N@H+]1CCCN(c2nc(C)cs2)CC1 ZINC000096417408 473397436 /nfs/dbraw/zinc/39/74/36/473397436.db2.gz LMVSRQWVILNBBJ-UHFFFAOYSA-N 1 1 325.478 2.697 40 0 EFABMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C)nn(C)c2C)C12CCCC2 ZINC000096419717 473397980 /nfs/dbraw/zinc/39/79/80/473397980.db2.gz PFWALTLLWHESNK-HZPDHXFCSA-N 1 1 348.491 2.645 40 0 EFABMO OC1(CNc2cc[nH+]c3ccc(Br)cc23)CCOCC1 ZINC000096419426 473398246 /nfs/dbraw/zinc/39/82/46/473398246.db2.gz SQPNVQKRIPLPRG-UHFFFAOYSA-N 1 1 337.217 2.951 40 0 EFABMO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424308 473402659 /nfs/dbraw/zinc/40/26/59/473402659.db2.gz ATRFTBDBEAFKDS-LIRRHRJNSA-N 1 1 347.409 2.772 40 0 EFABMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000096426855 473406094 /nfs/dbraw/zinc/40/60/94/473406094.db2.gz HRZRBEIPJPMQGE-OALUTQOASA-N 1 1 330.472 2.926 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CCCCC[C@H]2c2ccncc2)CC1 ZINC000096427144 473406138 /nfs/dbraw/zinc/40/61/38/473406138.db2.gz IQMQUXRRXOBYKJ-IBGZPJMESA-N 1 1 344.503 2.553 40 0 EFABMO O=S(=O)(/C=C/c1ccccc1Cl)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000096427699 473407093 /nfs/dbraw/zinc/40/70/93/473407093.db2.gz NATFHJZQAOHGAK-FROQITRMSA-N 1 1 340.876 2.714 40 0 EFABMO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn(C)n1 ZINC000096434410 473412903 /nfs/dbraw/zinc/41/29/03/473412903.db2.gz OXJRCYYEWBNWFK-INIZCTEOSA-N 1 1 327.432 2.548 40 0 EFABMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccn(C)n1 ZINC000096434410 473412905 /nfs/dbraw/zinc/41/29/05/473412905.db2.gz OXJRCYYEWBNWFK-INIZCTEOSA-N 1 1 327.432 2.548 40 0 EFABMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2nncs2)[C@@H]1c1cccs1 ZINC000096433596 473413128 /nfs/dbraw/zinc/41/31/28/473413128.db2.gz NJAUXFJJLLIZJE-CMPLNLGQSA-N 1 1 337.474 2.804 40 0 EFABMO C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435911 473414671 /nfs/dbraw/zinc/41/46/71/473414671.db2.gz ZRQISMOAUXSXKM-QFBILLFUSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435911 473414675 /nfs/dbraw/zinc/41/46/75/473414675.db2.gz ZRQISMOAUXSXKM-QFBILLFUSA-N 1 1 339.439 2.550 40 0 EFABMO Cc1cnccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096436400 473417083 /nfs/dbraw/zinc/41/70/83/473417083.db2.gz WMPQFFRRONHZAS-QGZVFWFLSA-N 1 1 325.412 2.620 40 0 EFABMO Cc1cnccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096436400 473417091 /nfs/dbraw/zinc/41/70/91/473417091.db2.gz WMPQFFRRONHZAS-QGZVFWFLSA-N 1 1 325.412 2.620 40 0 EFABMO COC(C)(C)C[C@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000096439363 473417607 /nfs/dbraw/zinc/41/76/07/473417607.db2.gz JQHXGHXPUKXPBT-ZDUSSCGKSA-N 1 1 345.447 2.579 40 0 EFABMO Cc1cccc(OCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000096437496 473418140 /nfs/dbraw/zinc/41/81/40/473418140.db2.gz WOVDREMGHKDONV-ALOPSCKCSA-N 1 1 331.460 2.688 40 0 EFABMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000096441677 473419789 /nfs/dbraw/zinc/41/97/89/473419789.db2.gz XZYATIYBAAKDJK-HUUCEWRRSA-N 1 1 344.377 2.514 40 0 EFABMO Cc1ccc(CC[N@H+](Cc2cc(=O)c(O)co2)C[C@@H]2CCCO2)cc1 ZINC000096441664 473420001 /nfs/dbraw/zinc/42/00/01/473420001.db2.gz NVMSKSPHUGTPJS-KRWDZBQOSA-N 1 1 343.423 2.878 40 0 EFABMO CC(=O)Nc1cccc(NC(=O)C[NH2+]C(C)(C)c2nc(C)cs2)c1 ZINC000096443389 473420956 /nfs/dbraw/zinc/42/09/56/473420956.db2.gz HKOYWNGGNDTUEU-UHFFFAOYSA-N 1 1 346.456 2.873 40 0 EFABMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000096443734 473421459 /nfs/dbraw/zinc/42/14/59/473421459.db2.gz YOQGCUDBPSKPPK-MRXNPFEDSA-N 1 1 344.459 2.592 40 0 EFABMO C[C@H](CNC(=O)N(C)Cc1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000096446145 473424201 /nfs/dbraw/zinc/42/42/01/473424201.db2.gz ILBMZJIHVCMMJS-OAHLLOKOSA-N 1 1 345.443 2.543 40 0 EFABMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2coc(-c3ccccc3)n2)C1 ZINC000096453070 473428538 /nfs/dbraw/zinc/42/85/38/473428538.db2.gz HOTXXKVAQKQVJX-OAHLLOKOSA-N 1 1 342.443 2.825 40 0 EFABMO CN(C(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000096452099 473429053 /nfs/dbraw/zinc/42/90/53/473429053.db2.gz IGIHMBMIGJSZIN-MRXNPFEDSA-N 1 1 339.443 2.515 40 0 EFABMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000096461087 473433134 /nfs/dbraw/zinc/43/31/34/473433134.db2.gz KXNNOKBQXNUZBE-CQSZACIVSA-N 1 1 336.457 2.785 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)NC[C@@]3(C)CCCS3)CC2)[nH+]c1 ZINC000096467197 473434535 /nfs/dbraw/zinc/43/45/35/473434535.db2.gz IPCSTTOWZJXUBG-GOSISDBHSA-N 1 1 348.516 2.944 40 0 EFABMO O=C([C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)N1CCCCCC1 ZINC000096468505 473436199 /nfs/dbraw/zinc/43/61/99/473436199.db2.gz OQFVNRCYCYWROJ-KRWDZBQOSA-N 1 1 340.471 2.949 40 0 EFABMO COCc1ccccc1C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096484452 473443464 /nfs/dbraw/zinc/44/34/64/473443464.db2.gz UVRBGVHDNQEYQN-UHFFFAOYSA-N 1 1 345.830 2.844 40 0 EFABMO CO[C@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484550 473443800 /nfs/dbraw/zinc/44/38/00/473443800.db2.gz AUJAZJPXEWMURD-YVSFHVDLSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484550 473443809 /nfs/dbraw/zinc/44/38/09/473443809.db2.gz AUJAZJPXEWMURD-YVSFHVDLSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484549 473443875 /nfs/dbraw/zinc/44/38/75/473443875.db2.gz AUJAZJPXEWMURD-NCOADZHNSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484549 473443879 /nfs/dbraw/zinc/44/38/79/473443879.db2.gz AUJAZJPXEWMURD-NCOADZHNSA-N 1 1 325.836 2.642 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc(N)c2ccccc2n1 ZINC000096486661 473444656 /nfs/dbraw/zinc/44/46/56/473444656.db2.gz UEZXKOOTGCJAOX-YOEHRIQHSA-N 1 1 348.454 2.930 40 0 EFABMO C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000096491846 473448153 /nfs/dbraw/zinc/44/81/53/473448153.db2.gz LPVHEEJHDNDOAV-HNNXBMFYSA-N 1 1 345.410 2.699 40 0 EFABMO C[C@H](O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000096495630 473450780 /nfs/dbraw/zinc/45/07/80/473450780.db2.gz WMLKZBPYNRHQGQ-MQIPJXDCSA-N 1 1 340.826 2.677 40 0 EFABMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000096500978 473453255 /nfs/dbraw/zinc/45/32/55/473453255.db2.gz SDGRACYZYRQCRE-LJQANCHMSA-N 1 1 330.472 2.840 40 0 EFABMO C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000096503121 473455662 /nfs/dbraw/zinc/45/56/62/473455662.db2.gz SGEJTEPXQJUNIM-BXWFABGCSA-N 1 1 338.455 2.962 40 0 EFABMO C[N@H+]1CC[C@@H](CSc2ncnc3c2cnn3Cc2ccccc2)C1 ZINC000191204101 473506407 /nfs/dbraw/zinc/50/64/07/473506407.db2.gz VWDKEQQXMQNFKU-OAHLLOKOSA-N 1 1 339.468 2.918 40 0 EFABMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000194448370 473899559 /nfs/dbraw/zinc/89/95/59/473899559.db2.gz COWPMABXBYXKIK-QRVBRYPASA-N 1 1 327.472 2.950 40 0 EFABMO Cc1ccc(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000188173814 474008616 /nfs/dbraw/zinc/00/86/16/474008616.db2.gz BOIQWBIZGYDEAI-LJQANCHMSA-N 1 1 344.480 2.766 40 0 EFABMO O=C(NCC[N@H+]1CCCOCC1)Nc1ccccc1-c1ccncc1 ZINC000188178893 474009466 /nfs/dbraw/zinc/00/94/66/474009466.db2.gz FGKAOYOWPFUZIQ-UHFFFAOYSA-N 1 1 340.427 2.592 40 0 EFABMO CC(C)n1ccnc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195274314 474045456 /nfs/dbraw/zinc/04/54/56/474045456.db2.gz YIVZZEJXWDTJSK-SFHVURJKSA-N 1 1 327.476 2.813 40 0 EFABMO COC(=O)[C@@H](c1ccccc1F)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000195546674 474093468 /nfs/dbraw/zinc/09/34/68/474093468.db2.gz RPDBQORYDZWVDK-KBXCAEBGSA-N 1 1 345.418 2.728 40 0 EFABMO CC1(CNc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)CCOCC1 ZINC000195561819 474095500 /nfs/dbraw/zinc/09/55/00/474095500.db2.gz HEPLIGXFPHCCQK-KRWDZBQOSA-N 1 1 345.487 2.613 40 0 EFABMO CC1(CNc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)CCOCC1 ZINC000195561818 474095950 /nfs/dbraw/zinc/09/59/50/474095950.db2.gz HEPLIGXFPHCCQK-QGZVFWFLSA-N 1 1 345.487 2.613 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(F)(F)F ZINC000195564821 474097330 /nfs/dbraw/zinc/09/73/30/474097330.db2.gz NMDYBXOFIGTFMM-OCCSQVGLSA-N 1 1 329.366 2.759 40 0 EFABMO O=C(NCC[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21)c1ccsc1 ZINC000247508419 474168280 /nfs/dbraw/zinc/16/82/80/474168280.db2.gz SGKRNTIFPUWXGK-HNNXBMFYSA-N 1 1 330.457 2.674 40 0 EFABMO O=C(NCC[C@H]1C[N@H+](C2CCC2)Cc2ccnn21)c1ccsc1 ZINC000247508419 474168288 /nfs/dbraw/zinc/16/82/88/474168288.db2.gz SGKRNTIFPUWXGK-HNNXBMFYSA-N 1 1 330.457 2.674 40 0 EFABMO CN1C(=O)c2ccccc2[C@H](O)[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000247722819 474204125 /nfs/dbraw/zinc/20/41/25/474204125.db2.gz CDVBKHQCSLCOAU-DYXWJJEUSA-N 1 1 336.435 2.696 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000247822306 474213771 /nfs/dbraw/zinc/21/37/71/474213771.db2.gz DLSZXVVENKBMCO-UFYCRDLUSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000247822306 474213781 /nfs/dbraw/zinc/21/37/81/474213781.db2.gz DLSZXVVENKBMCO-UFYCRDLUSA-N 1 1 339.439 2.673 40 0 EFABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](C)C3)cc1 ZINC000225480598 474216127 /nfs/dbraw/zinc/21/61/27/474216127.db2.gz YNXIXVRTLDVFPX-WMZOPIPTSA-N 1 1 338.407 2.694 40 0 biogenic,in-vitro EFABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](C)C3)cc1 ZINC000225480598 474216133 /nfs/dbraw/zinc/21/61/33/474216133.db2.gz YNXIXVRTLDVFPX-WMZOPIPTSA-N 1 1 338.407 2.694 40 0 biogenic,in-vitro EFABMO CN1c2cccnc2C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1CO ZINC000225495844 474217820 /nfs/dbraw/zinc/21/78/20/474217820.db2.gz SDPNSNKATIFKSO-INIZCTEOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CN1c2cccnc2C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1CO ZINC000225495844 474217825 /nfs/dbraw/zinc/21/78/25/474217825.db2.gz SDPNSNKATIFKSO-INIZCTEOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO Cc1cccc(C[N@H+]2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)n1 ZINC000247886445 474221996 /nfs/dbraw/zinc/22/19/96/474221996.db2.gz SVYFEFFWIBHZCO-PMACEKPBSA-N 1 1 338.455 2.655 40 0 EFABMO Cc1nnsc1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000225558304 474224284 /nfs/dbraw/zinc/22/42/84/474224284.db2.gz RODPNNXLSWVHIM-TXEJJXNPSA-N 1 1 346.456 2.708 40 0 EFABMO Cc1nnsc1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000225558304 474224291 /nfs/dbraw/zinc/22/42/91/474224291.db2.gz RODPNNXLSWVHIM-TXEJJXNPSA-N 1 1 346.456 2.708 40 0 EFABMO Cc1ccc(Cl)cc1S(=O)(=O)NCCn1cc[nH+]c1C1CC1 ZINC000225568326 474225992 /nfs/dbraw/zinc/22/59/92/474225992.db2.gz RQXBMFWIZYZSLE-UHFFFAOYSA-N 1 1 339.848 2.701 40 0 EFABMO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC000247959367 474233506 /nfs/dbraw/zinc/23/35/06/474233506.db2.gz UXNDEHDRRIRVTP-CJNGLKHVSA-N 1 1 332.444 2.634 40 0 EFABMO Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)C[N@@H+](C1CCCC1)C2 ZINC000248009071 474244541 /nfs/dbraw/zinc/24/45/41/474244541.db2.gz DFFITQPDACJADN-HNNXBMFYSA-N 1 1 344.484 2.640 40 0 EFABMO Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)C[N@H+](C1CCCC1)C2 ZINC000248009071 474244545 /nfs/dbraw/zinc/24/45/45/474244545.db2.gz DFFITQPDACJADN-HNNXBMFYSA-N 1 1 344.484 2.640 40 0 EFABMO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)cc1 ZINC000248094772 474259248 /nfs/dbraw/zinc/25/92/48/474259248.db2.gz MIEPPRSGFOAGRL-SFHVURJKSA-N 1 1 328.456 2.598 40 0 EFABMO Cc1cnc(CC[N@@H+](C)CCC(=O)N2CCc3ccccc3C2)s1 ZINC000189134500 474302354 /nfs/dbraw/zinc/30/23/54/474302354.db2.gz DJVWRGOKTHDVMK-UHFFFAOYSA-N 1 1 343.496 2.901 40 0 EFABMO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1 ZINC000283221883 474343469 /nfs/dbraw/zinc/34/34/69/474343469.db2.gz SVGWSHQWTWDSEB-APWZRJJASA-N 1 1 340.471 2.970 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000248859740 474460627 /nfs/dbraw/zinc/46/06/27/474460627.db2.gz PQIPRVZOMOXOTK-DNVCBOLYSA-N 1 1 348.450 2.742 40 0 EFABMO CCC[N@H+](Cc1ccc(OC)nn1)C[C@@H]1COc2ccccc2O1 ZINC000283714087 474476997 /nfs/dbraw/zinc/47/69/97/474476997.db2.gz ZVHHVFZIWOZCMJ-OAHLLOKOSA-N 1 1 329.400 2.537 40 0 EFABMO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1C ZINC000245339417 474574308 /nfs/dbraw/zinc/57/43/08/474574308.db2.gz SOOXHWNJAZNHBM-XIRDDKMYSA-N 1 1 329.444 2.952 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H](O)CC(F)(F)F ZINC000249507337 474582177 /nfs/dbraw/zinc/58/21/77/474582177.db2.gz YTHGPEYGYJCQAC-HOCLYGCPSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000249507337 474582180 /nfs/dbraw/zinc/58/21/80/474582180.db2.gz YTHGPEYGYJCQAC-HOCLYGCPSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000249507337 474582187 /nfs/dbraw/zinc/58/21/87/474582187.db2.gz YTHGPEYGYJCQAC-HOCLYGCPSA-N 1 1 330.394 2.896 40 0 EFABMO CN(C)c1noc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000249580469 474595667 /nfs/dbraw/zinc/59/56/67/474595667.db2.gz NGHKPQHCDRSJRN-UONOGXRCSA-N 1 1 334.420 2.597 40 0 EFABMO CN(C)c1noc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000249580469 474595672 /nfs/dbraw/zinc/59/56/72/474595672.db2.gz NGHKPQHCDRSJRN-UONOGXRCSA-N 1 1 334.420 2.597 40 0 EFABMO COc1ccccc1C[C@H](C)CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000252477384 474662964 /nfs/dbraw/zinc/66/29/64/474662964.db2.gz MUVPLEBOSVLKNC-WMZOPIPTSA-N 1 1 330.472 2.961 40 0 EFABMO CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000252484700 474668996 /nfs/dbraw/zinc/66/89/96/474668996.db2.gz GEYZLWLMUAZWTP-ZWKOTPCHSA-N 1 1 345.487 2.908 40 0 EFABMO CCN(C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)C1)CC(F)(F)F ZINC000252486719 474672516 /nfs/dbraw/zinc/67/25/16/474672516.db2.gz MLRGYOLSODOXHV-RRQGHBQHSA-N 1 1 342.405 2.851 40 0 EFABMO COc1ccc(C(=O)N2CCC[N@@H+](CCSC(C)C)CC2)cc1 ZINC000252503478 474683335 /nfs/dbraw/zinc/68/33/35/474683335.db2.gz VDCPDAOROZBWDF-UHFFFAOYSA-N 1 1 336.501 2.985 40 0 EFABMO C[N@@H+](CCCCC1CCOCC1)C1CCN(c2cnccn2)CC1 ZINC000252509059 474687268 /nfs/dbraw/zinc/68/72/68/474687268.db2.gz YBTXBVCNYLSRRC-UHFFFAOYSA-N 1 1 332.492 2.974 40 0 EFABMO COC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252515459 474690819 /nfs/dbraw/zinc/69/08/19/474690819.db2.gz KGAPFJODYSNZGE-OTWHNJEPSA-N 1 1 345.464 2.587 40 0 EFABMO CCCc1nnc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000252516726 474691241 /nfs/dbraw/zinc/69/12/41/474691241.db2.gz WCHLFBAYCSVPQD-UONOGXRCSA-N 1 1 330.457 2.775 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC1=CCOCC1 ZINC000253370770 474728373 /nfs/dbraw/zinc/72/83/73/474728373.db2.gz VVUZWWUATXCKBM-VQIMIIECSA-N 1 1 343.471 2.543 40 0 EFABMO CO[C@@H](C)c1nsc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000253396761 474735826 /nfs/dbraw/zinc/73/58/26/474735826.db2.gz MRIACDVDVYLJEK-KGLIPLIRSA-N 1 1 332.473 2.956 40 0 EFABMO CO[C@@H](C)c1nsc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000253396761 474735832 /nfs/dbraw/zinc/73/58/32/474735832.db2.gz MRIACDVDVYLJEK-KGLIPLIRSA-N 1 1 332.473 2.956 40 0 EFABMO COCC1(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CCC1 ZINC000253415346 474741641 /nfs/dbraw/zinc/74/16/41/474741641.db2.gz HWJRWSCVGBAMTA-UHFFFAOYSA-N 1 1 346.471 2.546 40 0 EFABMO CSc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000253418380 474745059 /nfs/dbraw/zinc/74/50/59/474745059.db2.gz QEJUYKWQNZETNN-KBPBESRZSA-N 1 1 337.489 2.636 40 0 EFABMO Cc1nc2c(cccc2C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000253421131 474748344 /nfs/dbraw/zinc/74/83/44/474748344.db2.gz QTYRRXGJVWCGSA-IAGOWNOFSA-N 1 1 335.407 2.964 40 0 EFABMO Cc1ccc(-c2nnc(Sc3ncnc4c3C[N@@H+](C)CC4)o2)cc1 ZINC000253426320 474750361 /nfs/dbraw/zinc/75/03/61/474750361.db2.gz SPNWHJOWNSGWKX-UHFFFAOYSA-N 1 1 339.424 2.974 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3cscn3)[C@@H](C)C2)s1 ZINC000253425391 474750668 /nfs/dbraw/zinc/75/06/68/474750668.db2.gz IXZMLPORRTXYGG-GWCFXTLKSA-N 1 1 336.486 2.548 40 0 EFABMO Cc1ccc(F)c(CN(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000253426463 474751577 /nfs/dbraw/zinc/75/15/77/474751577.db2.gz GYVNJOMYDIYUGC-GOSISDBHSA-N 1 1 334.435 2.736 40 0 EFABMO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)o1 ZINC000253432026 474756688 /nfs/dbraw/zinc/75/66/88/474756688.db2.gz IMCYKCZMLKXJMX-SECBINFHSA-N 1 1 329.326 2.754 40 0 EFABMO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)o1 ZINC000253432026 474756693 /nfs/dbraw/zinc/75/66/93/474756693.db2.gz IMCYKCZMLKXJMX-SECBINFHSA-N 1 1 329.326 2.754 40 0 EFABMO CO[C@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(F)cc1 ZINC000253433293 474757854 /nfs/dbraw/zinc/75/78/54/474757854.db2.gz VGQJGNGGPDYWGW-QGZVFWFLSA-N 1 1 346.406 2.826 40 0 EFABMO c1cc2n(n1)C[C@@H](CC[NH+]1CCCCC1)CN(CC1CCOCC1)C2 ZINC000253477374 474761819 /nfs/dbraw/zinc/76/18/19/474761819.db2.gz FKJGJVJHNLEPLC-IBGZPJMESA-N 1 1 346.519 2.618 40 0 EFABMO C[N@@H+]1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128137 474806483 /nfs/dbraw/zinc/80/64/83/474806483.db2.gz GRCVCJNKYVUACO-GOSISDBHSA-N 1 1 339.487 2.633 40 0 EFABMO C[N@H+]1CCN(CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128137 474806493 /nfs/dbraw/zinc/80/64/93/474806493.db2.gz GRCVCJNKYVUACO-GOSISDBHSA-N 1 1 339.487 2.633 40 0 EFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3c[nH]c4ccccc43)C2)C1 ZINC000306125501 474806641 /nfs/dbraw/zinc/80/66/41/474806641.db2.gz CSPNPCJDGLHZPI-HNNXBMFYSA-N 1 1 341.455 2.741 40 0 EFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@H](COCC)CC[N@@H+]2C ZINC000306128555 474807692 /nfs/dbraw/zinc/80/76/92/474807692.db2.gz HDZSSJPPVNIFDY-OAHLLOKOSA-N 1 1 349.475 2.508 40 0 EFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@H](COCC)CC[N@H+]2C ZINC000306128555 474807696 /nfs/dbraw/zinc/80/76/96/474807696.db2.gz HDZSSJPPVNIFDY-OAHLLOKOSA-N 1 1 349.475 2.508 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000306133267 474809442 /nfs/dbraw/zinc/80/94/42/474809442.db2.gz MGXYLOISGUUFES-RBUKOAKNSA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1ccccn1 ZINC000306133267 474809448 /nfs/dbraw/zinc/80/94/48/474809448.db2.gz MGXYLOISGUUFES-RBUKOAKNSA-N 1 1 348.406 2.558 40 0 EFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](CC4CC4)C[C@@H]32)cs1 ZINC000306132909 474810342 /nfs/dbraw/zinc/81/03/42/474810342.db2.gz LVWYOHUSXZWGLP-IRXDYDNUSA-N 1 1 342.468 2.544 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3cccs3)C[C@@H]2N1CC1CC1 ZINC000306140035 474811771 /nfs/dbraw/zinc/81/17/71/474811771.db2.gz UHVYQMBEKMMEIJ-IRXDYDNUSA-N 1 1 327.453 2.841 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2N1CC1CC1 ZINC000306140036 474811851 /nfs/dbraw/zinc/81/18/51/474811851.db2.gz UHVYQMBEKMMEIJ-SJORKVTESA-N 1 1 327.453 2.841 40 0 EFABMO CO[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)CC[C@]12CCCO2 ZINC000257199637 474925301 /nfs/dbraw/zinc/92/53/01/474925301.db2.gz AAFFKFMFWXOFOT-QFBILLFUSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)CC[C@]12CCCO2 ZINC000257199637 474925310 /nfs/dbraw/zinc/92/53/10/474925310.db2.gz AAFFKFMFWXOFOT-QFBILLFUSA-N 1 1 332.444 2.512 40 0 EFABMO Cn1ccnc1-c1cncc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257284573 474932126 /nfs/dbraw/zinc/93/21/26/474932126.db2.gz PDFLGZMJLGZHTE-MRXNPFEDSA-N 1 1 334.427 2.652 40 0 EFABMO COc1ncccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257284800 474932795 /nfs/dbraw/zinc/93/27/95/474932795.db2.gz PEJKEWYWSSOASV-NQUFMGSDSA-N 1 1 329.444 2.568 40 0 EFABMO c1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257288064 474935537 /nfs/dbraw/zinc/93/55/37/474935537.db2.gz PSQPAQNISSTCBF-GFCCVEGCSA-N 1 1 326.429 2.703 40 0 EFABMO c1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257288064 474935547 /nfs/dbraw/zinc/93/55/47/474935547.db2.gz PSQPAQNISSTCBF-GFCCVEGCSA-N 1 1 326.429 2.703 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2cnn(C(C)C)c2)C1 ZINC000257300262 474940040 /nfs/dbraw/zinc/94/00/40/474940040.db2.gz RTRBEEPKGQOSOK-HNNXBMFYSA-N 1 1 329.448 2.747 40 0 EFABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cnccn1 ZINC000257300272 474940648 /nfs/dbraw/zinc/94/06/48/474940648.db2.gz RTRQJCNNPXRRCM-GBESFXJTSA-N 1 1 336.439 2.917 40 0 EFABMO CC(=O)N1CCO[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000257299118 474940847 /nfs/dbraw/zinc/94/08/47/474940847.db2.gz ROUYJFLPEDOUJN-QGZVFWFLSA-N 1 1 326.400 2.757 40 0 EFABMO C[NH+](C)Cc1nccnc1C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000257305186 474942914 /nfs/dbraw/zinc/94/29/14/474942914.db2.gz SOTRJABUINQVQK-UHFFFAOYSA-N 1 1 342.418 2.697 40 0 EFABMO Cn1nccc1C[N@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257302289 474943215 /nfs/dbraw/zinc/94/32/15/474943215.db2.gz SCIUYXPWRHWWBP-INIZCTEOSA-N 1 1 325.412 2.857 40 0 EFABMO c1nc(C[NH+]2CCC(Cc3cc(Nc4ccccn4)ncn3)CC2)c[nH]1 ZINC000257306905 474946077 /nfs/dbraw/zinc/94/60/77/474946077.db2.gz SWMZXWVKALJKCH-UHFFFAOYSA-N 1 1 349.442 2.793 40 0 EFABMO C[N@H+]1CCN(Cc2ncc[nH]2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257311734 474947090 /nfs/dbraw/zinc/94/70/90/474947090.db2.gz UKUBNRZSTKLCQQ-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO Cc1ncc(CNC(=O)Cc2cccc(F)c2)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257314040 474948580 /nfs/dbraw/zinc/94/85/80/474948580.db2.gz UVCQORSALYQSLU-QGZVFWFLSA-N 1 1 342.418 2.550 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2[C@H](N(C)c3cnccn3)CC[C@@H]2C1 ZINC000257317149 474948742 /nfs/dbraw/zinc/94/87/42/474948742.db2.gz VIONOUZEKHBILV-QLFBSQMISA-N 1 1 329.473 2.588 40 0 EFABMO Cc1ncsc1C[N@H+]1CCC[C@H]1c1cnc(-c2nccn2C)cn1 ZINC000257317456 474952123 /nfs/dbraw/zinc/95/21/23/474952123.db2.gz VJVBLPKEOBBJMN-HNNXBMFYSA-N 1 1 340.456 2.979 40 0 EFABMO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1cnc(-c2nccn2C)cn1 ZINC000257317456 474952133 /nfs/dbraw/zinc/95/21/33/474952133.db2.gz VJVBLPKEOBBJMN-HNNXBMFYSA-N 1 1 340.456 2.979 40 0 EFABMO Cc1cc(N(C)C)cc([C@@H]2CN(Cc3ncccc3C)CCO2)[nH+]1 ZINC000257322738 474953971 /nfs/dbraw/zinc/95/39/71/474953971.db2.gz WHEOADQWXCHLHX-IBGZPJMESA-N 1 1 326.444 2.733 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257320835 474954013 /nfs/dbraw/zinc/95/40/13/474954013.db2.gz VYUQYVPNZAVJIQ-QGZVFWFLSA-N 1 1 336.439 2.659 40 0 EFABMO Cn1ccnc1C[N@H+]1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257320835 474954018 /nfs/dbraw/zinc/95/40/18/474954018.db2.gz VYUQYVPNZAVJIQ-QGZVFWFLSA-N 1 1 336.439 2.659 40 0 EFABMO CN(C)c1cc(CC[C@@H]2CN(C(=O)c3cccs3)CCO2)cc[nH+]1 ZINC000257322365 474954239 /nfs/dbraw/zinc/95/42/39/474954239.db2.gz WFSCSHFUUMSBTJ-OAHLLOKOSA-N 1 1 345.468 2.683 40 0 EFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257325326 474955774 /nfs/dbraw/zinc/95/57/74/474955774.db2.gz WSNATRCTBUOTAE-FQEVSTJZSA-N 1 1 348.462 2.801 40 0 EFABMO Cc1cc(C)n(CCCC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257333553 474958723 /nfs/dbraw/zinc/95/87/23/474958723.db2.gz YCBASJYLPWWLBR-IBGZPJMESA-N 1 1 340.471 2.795 40 0 EFABMO Cc1cc(C)n(CCCC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257333553 474958729 /nfs/dbraw/zinc/95/87/29/474958729.db2.gz YCBASJYLPWWLBR-IBGZPJMESA-N 1 1 340.471 2.795 40 0 EFABMO Fc1cc(C[N@@H+]2CCOC[C@H](Cc3cnccn3)C2)ccc1Cl ZINC000257338087 474962862 /nfs/dbraw/zinc/96/28/62/474962862.db2.gz YVTKIBZSHGZICN-CQSZACIVSA-N 1 1 335.810 2.960 40 0 EFABMO Fc1cc(C[N@H+]2CCOC[C@H](Cc3cnccn3)C2)ccc1Cl ZINC000257338087 474962868 /nfs/dbraw/zinc/96/28/68/474962868.db2.gz YVTKIBZSHGZICN-CQSZACIVSA-N 1 1 335.810 2.960 40 0 EFABMO Cc1nc(C[N@H+]2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)cs1 ZINC000257340893 474963150 /nfs/dbraw/zinc/96/31/50/474963150.db2.gz ZHZHNAYDBLDVMA-VNQPRFMTSA-N 1 1 329.473 2.588 40 0 EFABMO COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257342382 474964216 /nfs/dbraw/zinc/96/42/16/474964216.db2.gz ZOIUJPWIFLHJMI-AMVTXUCVSA-N 1 1 329.444 2.568 40 0 EFABMO COC(=O)c1cccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000260737545 474971668 /nfs/dbraw/zinc/97/16/68/474971668.db2.gz LTXLDKYFJJJERE-AWEZNQCLSA-N 1 1 349.500 2.882 40 0 EFABMO Nc1ccccc1CCC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262078286 475167282 /nfs/dbraw/zinc/16/72/82/475167282.db2.gz XLINATAMSUWXNB-SFHVURJKSA-N 1 1 327.403 2.514 40 0 EFABMO C[C@H]1C[C@@H](c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)CC[N@H+]1C ZINC000333737654 476016203 /nfs/dbraw/zinc/01/62/03/476016203.db2.gz XCUIKFSOCYDIIR-SOUVJXGZSA-N 1 1 340.427 2.788 40 0 EFABMO Cc1ncc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)o1 ZINC000333819682 476036508 /nfs/dbraw/zinc/03/65/08/476036508.db2.gz IRIMKFQYUKIHIP-UHFFFAOYSA-N 1 1 334.464 2.781 40 0 EFABMO COCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000390833299 476803553 /nfs/dbraw/zinc/80/35/53/476803553.db2.gz FUKBRGUGVVWCDB-MOPGFXCFSA-N 1 1 342.483 2.926 40 0 EFABMO NC(=O)C[N@@H+]1CCc2ccc(NCc3ccccc3Cl)cc2C1 ZINC000390835336 476806359 /nfs/dbraw/zinc/80/63/59/476806359.db2.gz LDRSMEHMOWMXAQ-UHFFFAOYSA-N 1 1 329.831 2.796 40 0 EFABMO NC(=O)C[N@H+]1CCc2ccc(NCc3ccccc3Cl)cc2C1 ZINC000390835336 476806361 /nfs/dbraw/zinc/80/63/61/476806361.db2.gz LDRSMEHMOWMXAQ-UHFFFAOYSA-N 1 1 329.831 2.796 40 0 EFABMO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000514289587 479020229 /nfs/dbraw/zinc/02/02/29/479020229.db2.gz LNXTWLUPYAJVIA-AEFFLSMTSA-N 1 1 326.371 2.543 40 0 biogenic,in-vitro EFABMO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000514289587 479020234 /nfs/dbraw/zinc/02/02/34/479020234.db2.gz LNXTWLUPYAJVIA-AEFFLSMTSA-N 1 1 326.371 2.543 40 0 biogenic,in-vitro EFABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288693 479020791 /nfs/dbraw/zinc/02/07/91/479020791.db2.gz SKZSHZRSPXTEGL-OCCSQVGLSA-N 1 1 328.334 2.631 40 0 biogenic,in-vitro EFABMO C[C@H]1c2nnc(COc3ncccc3F)n2CC[N@@H+]1C1CCCC1 ZINC000585096699 479279423 /nfs/dbraw/zinc/27/94/23/479279423.db2.gz APXPQMKPGGAUJG-LBPRGKRZSA-N 1 1 331.395 2.710 40 0 EFABMO C[C@H]1c2nnc(COc3ncccc3F)n2CC[N@H+]1C1CCCC1 ZINC000585096699 479279430 /nfs/dbraw/zinc/27/94/30/479279430.db2.gz APXPQMKPGGAUJG-LBPRGKRZSA-N 1 1 331.395 2.710 40 0 EFABMO Cc1cc(C(=O)N2CCC[C@]3(CC[N@@H+]3Cc3cnc(C)s3)C2)no1 ZINC000585102085 479283013 /nfs/dbraw/zinc/28/30/13/479283013.db2.gz QLACLXUIHOKSGK-KRWDZBQOSA-N 1 1 346.456 2.629 40 0 EFABMO Cc1cc(C(=O)N2CCC[C@]3(CC[N@H+]3Cc3cnc(C)s3)C2)no1 ZINC000585102085 479283019 /nfs/dbraw/zinc/28/30/19/479283019.db2.gz QLACLXUIHOKSGK-KRWDZBQOSA-N 1 1 346.456 2.629 40 0 EFABMO Cc1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585099941 479283446 /nfs/dbraw/zinc/28/34/46/479283446.db2.gz ARRTVDLFWZSXJB-MRXNPFEDSA-N 1 1 325.453 2.768 40 0 EFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000585103071 479285075 /nfs/dbraw/zinc/28/50/75/479285075.db2.gz PPNKYYLFPDZXGU-INIZCTEOSA-N 1 1 348.487 2.637 40 0 EFABMO Cc1ccc(C)c(C[N@@H+]2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104675 479285804 /nfs/dbraw/zinc/28/58/04/479285804.db2.gz QTPMQYVAUUPJEM-FQEVSTJZSA-N 1 1 330.472 2.763 40 0 EFABMO c1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)nc1 ZINC000585105320 479286343 /nfs/dbraw/zinc/28/63/43/479286343.db2.gz TXFMFJHUUCGXSY-KRWDZBQOSA-N 1 1 327.453 2.753 40 0 EFABMO Fc1cccnc1O[C@@H]1CSC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000585105090 479286525 /nfs/dbraw/zinc/28/65/25/479286525.db2.gz PGDJPALCVSLRDB-AWEZNQCLSA-N 1 1 331.416 2.755 40 0 EFABMO CC(C)S(=O)(=O)N1CC[C@H]2[C@@H](C[N@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107979 479287352 /nfs/dbraw/zinc/28/73/52/479287352.db2.gz PQIXQZHXEFKYGD-NJAFHUGGSA-N 1 1 336.501 2.534 40 0 EFABMO CC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 ZINC000585109678 479287484 /nfs/dbraw/zinc/28/74/84/479287484.db2.gz IEPBECNGPTZNLT-LZLXCTOHSA-N 1 1 338.455 2.719 40 0 EFABMO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](C[N@@H+]2CCC(C)C)C1 ZINC000585107917 479287514 /nfs/dbraw/zinc/28/75/14/479287514.db2.gz FOHHLIJOUQITCQ-IRXDYDNUSA-N 1 1 336.501 2.736 40 0 EFABMO O=C(NCC[C@@H]1C[N@@H+](CC2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000585111947 479288728 /nfs/dbraw/zinc/28/87/28/479288728.db2.gz FDIHYOMBTOMVCR-QGZVFWFLSA-N 1 1 345.491 2.626 40 0 EFABMO c1c[nH]c(C[N@H+]2CCC[C@@H](Cc3cc(Nc4ccccn4)ncn3)C2)n1 ZINC000585177444 479301574 /nfs/dbraw/zinc/30/15/74/479301574.db2.gz QGWSUZFOZVSHGS-HNNXBMFYSA-N 1 1 349.442 2.793 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4ccccn4)ncn3)C2)n1 ZINC000585177444 479301577 /nfs/dbraw/zinc/30/15/77/479301577.db2.gz QGWSUZFOZVSHGS-HNNXBMFYSA-N 1 1 349.442 2.793 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269482 479303549 /nfs/dbraw/zinc/30/35/49/479303549.db2.gz WHCWITOJBNIZCA-IBGZPJMESA-N 1 1 327.428 2.529 40 0 EFABMO CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)[C@H]1Cc1ccc(F)cc1 ZINC000585269254 479303904 /nfs/dbraw/zinc/30/39/04/479303904.db2.gz MZXWGDDMFJXVLR-PMACEKPBSA-N 1 1 348.462 2.764 40 0 EFABMO CCc1ncc(C[N@@H+]2CCC[C@@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585275869 479304509 /nfs/dbraw/zinc/30/45/09/479304509.db2.gz GATBPRKKGNIESM-FQEVSTJZSA-N 1 1 341.455 2.753 40 0 EFABMO CCc1ncc(C[N@H+]2CCC[C@@](O)(COc3cccc(C)c3)C2)cn1 ZINC000585275869 479304511 /nfs/dbraw/zinc/30/45/11/479304511.db2.gz GATBPRKKGNIESM-FQEVSTJZSA-N 1 1 341.455 2.753 40 0 EFABMO CO[C@@]1(COc2cccc(C)c2)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000585275337 479304597 /nfs/dbraw/zinc/30/45/97/479304597.db2.gz AQRHCCLFDVVQQX-IBGZPJMESA-N 1 1 327.428 2.763 40 0 EFABMO CO[C@@]1(COc2cccc(C)c2)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000585275337 479304599 /nfs/dbraw/zinc/30/45/99/479304599.db2.gz AQRHCCLFDVVQQX-IBGZPJMESA-N 1 1 327.428 2.763 40 0 EFABMO CN(C)C(=O)CC[C@]1(O)CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585276559 479305671 /nfs/dbraw/zinc/30/56/71/479305671.db2.gz BKFKIDZKIOMCRC-QGZVFWFLSA-N 1 1 342.842 2.674 40 0 EFABMO CN(C)C(=O)CC[C@]1(O)CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585276559 479305673 /nfs/dbraw/zinc/30/56/73/479305673.db2.gz BKFKIDZKIOMCRC-QGZVFWFLSA-N 1 1 342.842 2.674 40 0 EFABMO CN(C)C(=O)CC[C@@]1(O)CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585276555 479306061 /nfs/dbraw/zinc/30/60/61/479306061.db2.gz BKFKIDZKIOMCRC-KRWDZBQOSA-N 1 1 342.842 2.674 40 0 EFABMO CN(C)C(=O)CC[C@@]1(O)CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585276555 479306065 /nfs/dbraw/zinc/30/60/65/479306065.db2.gz BKFKIDZKIOMCRC-KRWDZBQOSA-N 1 1 342.842 2.674 40 0 EFABMO CCc1ncc(C[N@@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585276998 479306082 /nfs/dbraw/zinc/30/60/82/479306082.db2.gz KXNWSWSVWPEVFY-SJLPKXTDSA-N 1 1 329.419 2.604 40 0 EFABMO CCc1ncc(C[N@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585276998 479306088 /nfs/dbraw/zinc/30/60/88/479306088.db2.gz KXNWSWSVWPEVFY-SJLPKXTDSA-N 1 1 329.419 2.604 40 0 EFABMO CNc1ncccc1C[N@H+]1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 ZINC000585278284 479306949 /nfs/dbraw/zinc/30/69/49/479306949.db2.gz BGUGOBDEIBSKEH-QAPCUYQASA-N 1 1 329.419 2.688 40 0 EFABMO CO[C@]1(COc2cccc(C)c2)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585278610 479307269 /nfs/dbraw/zinc/30/72/69/479307269.db2.gz UOEJTEMOYHDMRO-LJQANCHMSA-N 1 1 327.428 2.763 40 0 EFABMO Cc1ccccc1N1CCC(O)(C[N@H+](C)[C@H]2CCCC[C@@H]2O)CC1 ZINC000585284276 479307979 /nfs/dbraw/zinc/30/79/79/479307979.db2.gz HTFVFUKMRRFETB-OALUTQOASA-N 1 1 332.488 2.562 40 0 EFABMO O[C@@]1(COc2ccc(F)c(Cl)c2)COCC[N@H+](C2CCCC2)C1 ZINC000585281774 479308324 /nfs/dbraw/zinc/30/83/24/479308324.db2.gz APLFVKRCCBRCQI-QGZVFWFLSA-N 1 1 343.826 2.864 40 0 EFABMO CCn1nccc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289546 479309837 /nfs/dbraw/zinc/30/98/37/479309837.db2.gz JPQRQRBTBBVSCN-IPMKNSEASA-N 1 1 347.434 2.835 40 0 EFABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)[C@H](CO)[C@@H]1O ZINC000585294553 479310391 /nfs/dbraw/zinc/31/03/91/479310391.db2.gz IHSLLIHJRDEKSV-CEMLEFRQSA-N 1 1 348.446 2.864 40 0 EFABMO CN(C)c1cc[nH+]c(NCc2nc(C3CCC(F)(F)CC3)no2)n1 ZINC000575616373 479456325 /nfs/dbraw/zinc/45/63/25/479456325.db2.gz KJQLYQWKVCGILN-UHFFFAOYSA-N 1 1 338.362 2.831 40 0 EFABMO C[C@@H](CO)C1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000624352553 480725043 /nfs/dbraw/zinc/72/50/43/480725043.db2.gz YOQJFZRKLLIKGU-HNNXBMFYSA-N 1 1 338.455 2.842 40 0 EFABMO COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000181945010 534158102 /nfs/dbraw/zinc/15/81/02/534158102.db2.gz XLLFDXPJPUZXQN-CYBMUJFWSA-N 1 1 348.834 2.630 40 0 EFABMO COc1ccccc1CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000040119876 524469771 /nfs/dbraw/zinc/46/97/71/524469771.db2.gz AELAFQINFIBHSG-IYBDPMFKSA-N 1 1 333.476 2.862 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@@H]2Cn2nnc(-c3ccccn3)n2)cc1 ZINC000012142294 526333664 /nfs/dbraw/zinc/33/36/64/526333664.db2.gz JWBARSYVGIUVHM-MRXNPFEDSA-N 1 1 338.390 2.539 40 0 EFABMO CC[N@H+]1CCC[C@@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 ZINC000257309125 535526286 /nfs/dbraw/zinc/52/62/86/535526286.db2.gz TZQYUPKAUXFYFB-HNNXBMFYSA-N 1 1 326.448 2.901 40 0 EFABMO CCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257253750 535873994 /nfs/dbraw/zinc/87/39/94/535873994.db2.gz KADADOQRRDMKQZ-CQSZACIVSA-N 1 1 328.416 2.648 40 0 EFABMO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])COC)cc1 ZINC000218564441 536194839 /nfs/dbraw/zinc/19/48/39/536194839.db2.gz GPCJZZFTFGODSG-IPMKNSEASA-N 1 1 345.464 2.533 40 0 EFABMO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000245289926 536520883 /nfs/dbraw/zinc/52/08/83/536520883.db2.gz GCBRCEYZHIMEER-FRQCXROJSA-N 1 1 347.503 2.855 40 0 EFABMO COc1ccccc1OCC(=O)N1CCC[C@@H]2[N@@H+](C)CCC[C@@]21C ZINC000257253878 537088788 /nfs/dbraw/zinc/08/87/88/537088788.db2.gz KAQKCHSVFAZHNO-HKUYNNGSSA-N 1 1 332.444 2.549 40 0 EFABMO O=C1CC[C@@H]2C[N@@H+](Cc3cnc4ccccc4n3)CC[C@@H]2N1C1CC1 ZINC000585094321 546371238 /nfs/dbraw/zinc/37/12/38/546371238.db2.gz JIPFRGBLAHOYJW-KUHUBIRLSA-N 1 1 336.439 2.605 40 0 EFABMO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)n1 ZINC000584908791 564133945 /nfs/dbraw/zinc/13/39/45/564133945.db2.gz HKJKVAJBHYEEJV-QGZVFWFLSA-N 1 1 338.455 2.957 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)NCc2ccccc2)[C@@H]2COc3ccc(F)cc3[C@@H]21 ZINC001772595651 1249165611 /nfs/dbraw/zinc/16/56/11/1249165611.db2.gz IYICFXPLKGCIPA-AOIWGVFYSA-N 1 1 340.398 2.753 40 0 EFABMO O=C(NCC1CC1)[C@@H]1C[N@@H+](CC2CC2)[C@H]2c3ccccc3OC[C@H]21 ZINC001772595765 1249167104 /nfs/dbraw/zinc/16/71/04/1249167104.db2.gz LNQVHFDFBIJFFN-AOIWGVFYSA-N 1 1 326.440 2.604 40 0 EFABMO c1cncc(-c2nc(CC[C@@H]3CCC[N@H+](C4CCOCC4)C3)no2)c1 ZINC000675024431 1099682381 /nfs/dbraw/zinc/68/23/81/1099682381.db2.gz GZLUHILNDRHHPC-HNNXBMFYSA-N 1 1 342.443 2.955 40 0 EFABMO CCC[N@@H+]1C[C@H](CS(C)(=O)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000044075087 1100255812 /nfs/dbraw/zinc/25/58/12/1100255812.db2.gz BRFHHAXHZFOBNY-QBIMZIAESA-N 1 1 346.496 2.953 40 0 EFABMO CCC[N@H+]1C[C@H](CS(C)(=O)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000044075087 1100255823 /nfs/dbraw/zinc/25/58/23/1100255823.db2.gz BRFHHAXHZFOBNY-QBIMZIAESA-N 1 1 346.496 2.953 40 0 EFABMO COc1ncccc1C[N@H+]1CC[C@H]2C[C@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000097953900 219064745 /nfs/dbraw/zinc/06/47/45/219064745.db2.gz NRDSIOOBKXLKMD-BMGDILEWSA-N 1 1 340.427 2.541 40 0 EFABMO CN(C)c1ncc([C@@H]2Nc3cc(Cl)ccc3C3=[NH+]CCCN32)cn1 ZINC000012188578 282322862 /nfs/dbraw/zinc/32/28/62/282322862.db2.gz VMUIXQAZTKSZCW-OAHLLOKOSA-N 1 1 342.834 2.773 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC000096255314 282385236 /nfs/dbraw/zinc/38/52/36/282385236.db2.gz BWSHLSGTKSUXHG-UHFFFAOYSA-N 1 1 335.411 2.744 40 0 EFABMO Cc1nc(C(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cs1 ZINC000066732435 215074351 /nfs/dbraw/zinc/07/43/51/215074351.db2.gz LWMMPMBNDKPCDV-ZDUSSCGKSA-N 1 1 332.429 2.684 40 0 EFABMO CC(C)SCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000225772609 535105381 /nfs/dbraw/zinc/10/53/81/535105381.db2.gz BEXRCDSQSSCEPM-UHFFFAOYSA-N 1 1 340.440 2.821 40 0 EFABMO CCc1cnc(N2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)nc1 ZINC000104488072 219390478 /nfs/dbraw/zinc/39/04/78/219390478.db2.gz PDPYOQTYTYZCDV-UHFFFAOYSA-N 1 1 342.443 2.503 40 0 EFABMO CCc1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)nc1 ZINC000104488072 219390480 /nfs/dbraw/zinc/39/04/80/219390480.db2.gz PDPYOQTYTYZCDV-UHFFFAOYSA-N 1 1 342.443 2.503 40 0 EFABMO C[N@@H+]1CC[C@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000121372364 283120315 /nfs/dbraw/zinc/12/03/15/283120315.db2.gz VKRHWYHFCNXOQK-HOTGVXAUSA-N 1 1 336.863 2.897 40 0 EFABMO C[N@H+]1CC[C@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000121372364 283120316 /nfs/dbraw/zinc/12/03/16/283120316.db2.gz VKRHWYHFCNXOQK-HOTGVXAUSA-N 1 1 336.863 2.897 40 0 EFABMO O=C(Cc1cccs1)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699942 213111379 /nfs/dbraw/zinc/11/13/79/213111379.db2.gz ULHBTATZZGEBHF-SFHVURJKSA-N 1 1 344.480 2.870 40 0 EFABMO O=C(Cc1cccs1)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000036699942 213111381 /nfs/dbraw/zinc/11/13/81/213111381.db2.gz ULHBTATZZGEBHF-SFHVURJKSA-N 1 1 344.480 2.870 40 0 EFABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)ccn1 ZINC000035424839 213027480 /nfs/dbraw/zinc/02/74/80/213027480.db2.gz LHOGFCYGTJOMCT-HNNXBMFYSA-N 1 1 344.415 2.846 40 0 biogenic,in-vitro EFABMO O=C(C[NH+]1CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311555 213019588 /nfs/dbraw/zinc/01/95/88/213019588.db2.gz BBAJGJFCGWIVMA-UHFFFAOYSA-N 1 1 329.444 2.737 40 0 EFABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000035189287 213013685 /nfs/dbraw/zinc/01/36/85/213013685.db2.gz IZWKBHMVRKCCRM-RPVYPSMYSA-N 1 1 327.509 2.934 40 0 EFABMO CN(C)C[C@@H]1C[C@@H]2CN(C(=O)c3ccsc3)CC[C@@H]2[N@H+]1CC1CC1 ZINC000107203031 219752029 /nfs/dbraw/zinc/75/20/29/219752029.db2.gz WHIQFRAIDDWNNL-SQNIBIBYSA-N 1 1 347.528 2.625 40 0 EFABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000072324536 216151457 /nfs/dbraw/zinc/15/14/57/216151457.db2.gz HEMNDFAKYONICJ-UONOGXRCSA-N 1 1 330.457 2.889 40 0 EFABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000072355710 216164879 /nfs/dbraw/zinc/16/48/79/216164879.db2.gz GQZTULDQMAJWAQ-KRWDZBQOSA-N 1 1 336.443 2.900 40 0 EFABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000072355710 216164882 /nfs/dbraw/zinc/16/48/82/216164882.db2.gz GQZTULDQMAJWAQ-KRWDZBQOSA-N 1 1 336.443 2.900 40 0 EFABMO Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360362 216167080 /nfs/dbraw/zinc/16/70/80/216167080.db2.gz PXVQTDXPOATXCT-MRXNPFEDSA-N 1 1 340.431 2.635 40 0 EFABMO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000072350555 216161847 /nfs/dbraw/zinc/16/18/47/216161847.db2.gz ZPEZRUHLRNNDNZ-QGZVFWFLSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1cc(C(=O)NCCc2ccccc2)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365770 216171058 /nfs/dbraw/zinc/17/10/58/216171058.db2.gz YEOBYKBOYBEUJO-KRWDZBQOSA-N 1 1 338.455 2.567 40 0 EFABMO Cc1cc(C(=O)NCc2ccccc2F)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365908 216171081 /nfs/dbraw/zinc/17/10/81/216171081.db2.gz POSJYCLMVDZESE-OAHLLOKOSA-N 1 1 342.418 2.663 40 0 EFABMO Cc1cc(C(=O)NCc2ccccc2F)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072365909 216172003 /nfs/dbraw/zinc/17/20/03/216172003.db2.gz POSJYCLMVDZESE-HNNXBMFYSA-N 1 1 342.418 2.663 40 0 EFABMO Cc1cc(C(=O)NCCc2ccccc2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365769 216172109 /nfs/dbraw/zinc/17/21/09/216172109.db2.gz YEOBYKBOYBEUJO-QGZVFWFLSA-N 1 1 338.455 2.567 40 0 EFABMO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@H+]2Cc2cccnc2)c1 ZINC000072360468 216167746 /nfs/dbraw/zinc/16/77/46/216167746.db2.gz UDUIGRLPBMEDAO-LJQANCHMSA-N 1 1 338.455 2.801 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000072370000 216178168 /nfs/dbraw/zinc/17/81/68/216178168.db2.gz QAKMIBKMCOXKBF-ZDUSSCGKSA-N 1 1 332.835 2.754 40 0 EFABMO c1cncc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)c1 ZINC000072377643 216178865 /nfs/dbraw/zinc/17/88/65/216178865.db2.gz DNYQHCOZQDKIJN-MRXNPFEDSA-N 1 1 333.399 2.742 40 0 EFABMO c1cncc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)c1 ZINC000072377643 216178868 /nfs/dbraw/zinc/17/88/68/216178868.db2.gz DNYQHCOZQDKIJN-MRXNPFEDSA-N 1 1 333.399 2.742 40 0 EFABMO c1cncc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)c1 ZINC000072377644 216179383 /nfs/dbraw/zinc/17/93/83/216179383.db2.gz DNYQHCOZQDKIJN-INIZCTEOSA-N 1 1 333.399 2.742 40 0 EFABMO c1cncc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)c1 ZINC000072377644 216179386 /nfs/dbraw/zinc/17/93/86/216179386.db2.gz DNYQHCOZQDKIJN-INIZCTEOSA-N 1 1 333.399 2.742 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378402 216179878 /nfs/dbraw/zinc/17/98/78/216179878.db2.gz GCBRWNBXCKIKRE-KRWDZBQOSA-N 1 1 333.395 2.948 40 0 EFABMO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072388526 216190063 /nfs/dbraw/zinc/19/00/63/216190063.db2.gz KYDKTHQJFPMWNC-HXUWFJFHSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072388526 216190065 /nfs/dbraw/zinc/19/00/65/216190065.db2.gz KYDKTHQJFPMWNC-HXUWFJFHSA-N 1 1 349.438 2.876 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393075 216190786 /nfs/dbraw/zinc/19/07/86/216190786.db2.gz YBFVQCAKRUCDOQ-QGZVFWFLSA-N 1 1 347.422 2.607 40 0 EFABMO Oc1cccc([C@H]2C[N@@H+](CC3CCC4(CC3)OCCO4)CCO2)c1 ZINC000190283897 238358116 /nfs/dbraw/zinc/35/81/16/238358116.db2.gz CLJFFXGASRBAJM-GOSISDBHSA-N 1 1 333.428 2.699 40 0 EFABMO Cc1ccccc1NC(=O)CC[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000072635530 216285170 /nfs/dbraw/zinc/28/51/70/216285170.db2.gz SKQKJUAGYMYQFE-UHFFFAOYSA-N 1 1 345.487 2.904 40 0 EFABMO O[C@@H]1C[C@H]2C[N@@H+](CC3CCCCC3)[C@@H](Cc3ccccc3)CN2C1 ZINC000022917212 212335051 /nfs/dbraw/zinc/33/50/51/212335051.db2.gz NIQMSWKKDAJQAE-PCCBWWKXSA-N 1 1 328.500 2.929 40 0 EFABMO O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000022917212 212335053 /nfs/dbraw/zinc/33/50/53/212335053.db2.gz NIQMSWKKDAJQAE-PCCBWWKXSA-N 1 1 328.500 2.929 40 0 EFABMO O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000022917212 212335055 /nfs/dbraw/zinc/33/50/55/212335055.db2.gz NIQMSWKKDAJQAE-PCCBWWKXSA-N 1 1 328.500 2.929 40 0 EFABMO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)n1 ZINC000245312456 240252958 /nfs/dbraw/zinc/25/29/58/240252958.db2.gz JIPDLDSRKJOMDY-WCXIOVBPSA-N 1 1 348.491 2.719 40 0 EFABMO Cc1c[nH]c(-c2cc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)nc(C)n2)n1 ZINC000257339428 240312310 /nfs/dbraw/zinc/31/23/10/240312310.db2.gz ZBRNJSCNKDOVNO-MRXNPFEDSA-N 1 1 334.427 2.868 40 0 EFABMO Cc1noc(C)c1CC(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257261931 240312387 /nfs/dbraw/zinc/31/23/87/240312387.db2.gz LJIZQMJUVNBDSZ-INIZCTEOSA-N 1 1 342.443 2.665 40 0 EFABMO CC[NH+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)nc2C)CC1 ZINC000257173191 240312725 /nfs/dbraw/zinc/31/27/25/240312725.db2.gz GGUBFPJKWJTVKR-UHFFFAOYSA-N 1 1 327.403 2.974 40 0 EFABMO Cc1nc(CN2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)cs1 ZINC000257261806 240312778 /nfs/dbraw/zinc/31/27/78/240312778.db2.gz LIWXOMRUOWRZCS-QGZVFWFLSA-N 1 1 346.500 2.746 40 0 EFABMO O[C@@H](C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000195549430 241000280 /nfs/dbraw/zinc/00/02/80/241000280.db2.gz YPNQCGZQYMBYRB-PBHICJAKSA-N 1 1 330.407 2.665 40 0 EFABMO CCS(=O)(=O)c1ccc(NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000195576077 241022855 /nfs/dbraw/zinc/02/28/55/241022855.db2.gz YZSRPUPRLUBOCW-UHFFFAOYSA-N 1 1 333.457 2.668 40 0 EFABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccncc1 ZINC000225744451 242015027 /nfs/dbraw/zinc/01/50/27/242015027.db2.gz XGGWWUBQUJNHDI-UHFFFAOYSA-N 1 1 326.469 2.816 40 0 EFABMO Cc1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000230196731 242248434 /nfs/dbraw/zinc/24/84/34/242248434.db2.gz CIFBGRACDXOUCQ-BEFAXECRSA-N 1 1 338.455 2.710 40 0 EFABMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000021055237 212203760 /nfs/dbraw/zinc/20/37/60/212203760.db2.gz NAGBRZYUOYNMDT-HUUCEWRRSA-N 1 1 343.471 2.714 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000020493452 212139504 /nfs/dbraw/zinc/13/95/04/212139504.db2.gz FSMBYCBWCAKNFC-IBGZPJMESA-N 1 1 349.390 2.637 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@H]32)nc1 ZINC000253588506 244026256 /nfs/dbraw/zinc/02/62/56/244026256.db2.gz FXTISXKGGPLWQA-MISYRCLQSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@H]32)nc1 ZINC000253588506 244026265 /nfs/dbraw/zinc/02/62/65/244026265.db2.gz FXTISXKGGPLWQA-MISYRCLQSA-N 1 1 339.439 2.673 40 0 EFABMO c1cc2n(c1)C[C@@H](OCc1ccncc1)C[N@H+](CC1CCOCC1)C2 ZINC000253588430 244026936 /nfs/dbraw/zinc/02/69/36/244026936.db2.gz CFJWJQJWSMMIHH-FQEVSTJZSA-N 1 1 341.455 2.711 40 0 EFABMO Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)cn1 ZINC000257199654 244114429 /nfs/dbraw/zinc/11/44/29/244114429.db2.gz AAHNGLFOZRQJHA-KRWDZBQOSA-N 1 1 325.460 2.701 40 0 EFABMO CO[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)CC[C@@]12CCCO2 ZINC000257199635 244115473 /nfs/dbraw/zinc/11/54/73/244115473.db2.gz AAFFKFMFWXOFOT-APWZRJJASA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)CC[C@@]12CCCO2 ZINC000257199635 244115481 /nfs/dbraw/zinc/11/54/81/244115481.db2.gz AAFFKFMFWXOFOT-APWZRJJASA-N 1 1 332.444 2.512 40 0 EFABMO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cn1 ZINC000257200444 244117019 /nfs/dbraw/zinc/11/70/19/244117019.db2.gz ADIOQAYEIDRSPX-LJQANCHMSA-N 1 1 341.459 2.661 40 0 EFABMO CCCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(CNC(C)=O)n2)cn1 ZINC000257200444 244117028 /nfs/dbraw/zinc/11/70/28/244117028.db2.gz ADIOQAYEIDRSPX-LJQANCHMSA-N 1 1 341.459 2.661 40 0 EFABMO CCN(Cc1ccccc1)C(=O)c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000257200447 244119154 /nfs/dbraw/zinc/11/91/54/244119154.db2.gz ADJKAJZVKNOGQF-KRWDZBQOSA-N 1 1 338.455 2.948 40 0 EFABMO Cc1cccc(C[N@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)n1 ZINC000257202884 244123308 /nfs/dbraw/zinc/12/33/08/244123308.db2.gz ANUQNBGOSJGFGJ-KRWDZBQOSA-N 1 1 336.439 2.729 40 0 EFABMO Fc1cccnc1C[N@@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257217599 244175165 /nfs/dbraw/zinc/17/51/65/244175165.db2.gz CZRNGCUJWABYBL-AWEZNQCLSA-N 1 1 338.390 2.576 40 0 EFABMO Fc1cccnc1C[N@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257217599 244175173 /nfs/dbraw/zinc/17/51/73/244175173.db2.gz CZRNGCUJWABYBL-AWEZNQCLSA-N 1 1 338.390 2.576 40 0 EFABMO Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000257210299 244147934 /nfs/dbraw/zinc/14/79/34/244147934.db2.gz BUADPFUOMUZLIS-KRWDZBQOSA-N 1 1 326.444 2.800 40 0 EFABMO COc1ccc2cc(C[N@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc2c1 ZINC000257210617 244150717 /nfs/dbraw/zinc/15/07/17/244150717.db2.gz BVLJGZZVPPIHRJ-PMACEKPBSA-N 1 1 327.424 2.964 40 0 EFABMO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cc(N(C)C)nc(C)n1 ZINC000257214342 244158865 /nfs/dbraw/zinc/15/88/65/244158865.db2.gz CLQODPVAMORVIG-MRXNPFEDSA-N 1 1 326.448 2.625 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cc(N(C)C)nc(C)n1 ZINC000257214342 244158871 /nfs/dbraw/zinc/15/88/71/244158871.db2.gz CLQODPVAMORVIG-MRXNPFEDSA-N 1 1 326.448 2.625 40 0 EFABMO Cn1nccc1CN1CC[N@@H+](C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257231578 244213907 /nfs/dbraw/zinc/21/39/07/244213907.db2.gz GHIQQZJVUFQLJG-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257219831 244182673 /nfs/dbraw/zinc/18/26/73/244182673.db2.gz DIINUAMZRIUUTF-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1nn2c(nccc2[C@@H]2CC[N@H+](CC(C)C)C2)c1Cn1cccn1 ZINC000257243850 244250397 /nfs/dbraw/zinc/25/03/97/244250397.db2.gz IIVIPIJWCPRTRB-MRXNPFEDSA-N 1 1 338.459 2.728 40 0 EFABMO Cc1cccc(N2CCC[C@H](NC(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257234235 244224470 /nfs/dbraw/zinc/22/44/70/244224470.db2.gz GSRZJGBZUHCWGJ-INIZCTEOSA-N 1 1 349.438 2.525 40 0 EFABMO COc1cccc(CN2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)c1F ZINC000257246836 244257433 /nfs/dbraw/zinc/25/74/33/244257433.db2.gz IWAHYFBFXMMJEE-KRWDZBQOSA-N 1 1 331.391 2.693 40 0 EFABMO C[C@]12CC[N@H+](C3CCOCC3)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257236446 244229739 /nfs/dbraw/zinc/22/97/39/244229739.db2.gz HCFZJJNYFUHTMK-ICSRJNTNSA-N 1 1 328.456 2.821 40 0 EFABMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257240306 244241099 /nfs/dbraw/zinc/24/10/99/244241099.db2.gz HSYXUZAKBVBOTG-MRXNPFEDSA-N 1 1 335.415 2.686 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257240306 244241107 /nfs/dbraw/zinc/24/11/07/244241107.db2.gz HSYXUZAKBVBOTG-MRXNPFEDSA-N 1 1 335.415 2.686 40 0 EFABMO Cc1nc(-c2nccn2C)cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257240211 244241803 /nfs/dbraw/zinc/24/18/03/244241803.db2.gz HSOOCVPZKYZYLR-KRWDZBQOSA-N 1 1 348.454 2.960 40 0 EFABMO Cc1cc([C@@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)CCO2)ccn1 ZINC000257241371 244245720 /nfs/dbraw/zinc/24/57/20/244245720.db2.gz HXUZBXCAUVUTFE-KRWDZBQOSA-N 1 1 342.443 2.700 40 0 EFABMO c1cc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)c3)C2)n[nH]1 ZINC000257254394 244278648 /nfs/dbraw/zinc/27/86/48/244278648.db2.gz KCWFEEICINFKGW-OAHLLOKOSA-N 1 1 335.415 2.718 40 0 EFABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3nccc(C)n3)C2)cc1CO ZINC000257256098 244280953 /nfs/dbraw/zinc/28/09/53/244280953.db2.gz KKBHICRCOGBSFQ-MRXNPFEDSA-N 1 1 327.428 2.666 40 0 EFABMO CCc1nc(C)c(C[N@@H+]2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)[nH]1 ZINC000257258523 244291704 /nfs/dbraw/zinc/29/17/04/244291704.db2.gz KUJGUPLFAZHMQX-IEBWSBKVSA-N 1 1 347.434 2.824 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)[nH]1 ZINC000257258523 244291710 /nfs/dbraw/zinc/29/17/10/244291710.db2.gz KUJGUPLFAZHMQX-IEBWSBKVSA-N 1 1 347.434 2.824 40 0 EFABMO CCCn1ccnc1CN1CC[N@H+](C)[C@H](c2ccccc2OC)C1 ZINC000257259644 244293535 /nfs/dbraw/zinc/29/35/35/244293535.db2.gz KZHXARNWQWJJFJ-KRWDZBQOSA-N 1 1 328.460 2.790 40 0 EFABMO CCCn1ccnc1CN1CC[N@@H+](C)[C@H](c2ccccc2OC)C1 ZINC000257259644 244293541 /nfs/dbraw/zinc/29/35/41/244293541.db2.gz KZHXARNWQWJJFJ-KRWDZBQOSA-N 1 1 328.460 2.790 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)nc1 ZINC000257266319 244362091 /nfs/dbraw/zinc/36/20/91/244362091.db2.gz MCMAQIXQRDKBII-CQSZACIVSA-N 1 1 338.390 2.576 40 0 EFABMO O=C1O[C@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccccc1)C2 ZINC000257269184 244371058 /nfs/dbraw/zinc/37/10/58/244371058.db2.gz MOXFGYKUWXBPFR-HXUWFJFHSA-N 1 1 338.407 2.914 40 0 EFABMO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2ccc(C)s2)n1 ZINC000257264564 244357647 /nfs/dbraw/zinc/35/76/47/244357647.db2.gz LVADXBCZOSRNOE-MRXNPFEDSA-N 1 1 330.457 2.820 40 0 EFABMO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257264564 244357650 /nfs/dbraw/zinc/35/76/50/244357650.db2.gz LVADXBCZOSRNOE-MRXNPFEDSA-N 1 1 330.457 2.820 40 0 EFABMO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257272990 244384395 /nfs/dbraw/zinc/38/43/95/244384395.db2.gz NEUZQYZXMUAZPL-HXUWFJFHSA-N 1 1 349.438 2.931 40 0 EFABMO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)c1 ZINC000257276904 244394013 /nfs/dbraw/zinc/39/40/13/244394013.db2.gz NVPYCTOFWAXDLF-ZDUSSCGKSA-N 1 1 335.411 2.938 40 0 EFABMO CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CC[NH+](Cc1cnc[nH]1)CC2 ZINC000257276651 244395353 /nfs/dbraw/zinc/39/53/53/244395353.db2.gz NUPFMFZQZLRABI-SFHVURJKSA-N 1 1 344.434 2.809 40 0 EFABMO Cc1cc(C[N@H+]2CCC3(CC(N(C)c4cc(C)ncn4)C3)C2)no1 ZINC000257277888 244397703 /nfs/dbraw/zinc/39/77/03/244397703.db2.gz NZXKVRRVHRDYKB-UHFFFAOYSA-N 1 1 327.432 2.572 40 0 EFABMO Cc1cc(C[N@@H+]2CCC3(CC(N(C)c4cc(C)ncn4)C3)C2)no1 ZINC000257277888 244397705 /nfs/dbraw/zinc/39/77/05/244397705.db2.gz NZXKVRRVHRDYKB-UHFFFAOYSA-N 1 1 327.432 2.572 40 0 EFABMO Cc1c[nH]c([C@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)n1 ZINC000257278222 244398338 /nfs/dbraw/zinc/39/83/38/244398338.db2.gz OBITZBOBDOSXTH-HNNXBMFYSA-N 1 1 329.448 2.834 40 0 EFABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019750426 212062318 /nfs/dbraw/zinc/06/23/18/212062318.db2.gz PLUKBUGEFCXILB-HNNXBMFYSA-N 1 1 326.444 2.523 40 0 EFABMO COCCc1ncc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cn1 ZINC000019714131 212057758 /nfs/dbraw/zinc/05/77/58/212057758.db2.gz MUURYYKAMYAGCE-UHFFFAOYSA-N 1 1 345.418 2.848 40 0 EFABMO Cn1cc(-c2ccc([C@@H]3CCC[N@@H+](Cc4ccnn4C)C3)nc2)cn1 ZINC000019689203 212055850 /nfs/dbraw/zinc/05/58/50/212055850.db2.gz FQDZRKNETSZJPJ-MRXNPFEDSA-N 1 1 336.443 2.595 40 0 EFABMO COCc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)o1 ZINC000019594503 212049851 /nfs/dbraw/zinc/04/98/51/212049851.db2.gz ZOSPZVPEOFAUQY-YJLNNSPDSA-N 1 1 328.412 2.551 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)ncc2C1 ZINC000019590368 212049079 /nfs/dbraw/zinc/04/90/79/212049079.db2.gz OMHVTJPWKDYGGY-MRXNPFEDSA-N 1 1 342.487 2.751 40 0 EFABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575942 212044949 /nfs/dbraw/zinc/04/49/49/212044949.db2.gz ZKMWMTWZZGIFCD-RYQLBKOJSA-N 1 1 349.478 2.971 40 0 EFABMO COc1ccc(F)cc1[C@@H](O)C[NH+]1CCC(Oc2cccnc2)CC1 ZINC000019559118 212042346 /nfs/dbraw/zinc/04/23/46/212042346.db2.gz HRCRKOJFKJLCFC-SFHVURJKSA-N 1 1 346.402 2.806 40 0 EFABMO CCc1cc(=O)[nH]c([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019522513 212036302 /nfs/dbraw/zinc/03/63/02/212036302.db2.gz NGCDRVRZZBNBSG-ZDUSSCGKSA-N 1 1 333.382 2.990 40 0 EFABMO CCc1cc(=O)[nH]c([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000019522513 212036305 /nfs/dbraw/zinc/03/63/05/212036305.db2.gz NGCDRVRZZBNBSG-ZDUSSCGKSA-N 1 1 333.382 2.990 40 0 EFABMO CC(=O)N1CCc2cc(NC(=O)Cn3cc[nH+]c3C(C)C)ccc21 ZINC000019454433 212028953 /nfs/dbraw/zinc/02/89/53/212028953.db2.gz ROIGTUGMTDIXIT-UHFFFAOYSA-N 1 1 326.400 2.554 40 0 EFABMO O=c1cc([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccccn2)[nH]1 ZINC000019402859 212025643 /nfs/dbraw/zinc/02/56/43/212025643.db2.gz KWSCHPBLUXFIHA-HOTGVXAUSA-N 1 1 336.439 2.978 40 0 EFABMO CN1CC[NH+](C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 ZINC000019369641 212022714 /nfs/dbraw/zinc/02/27/14/212022714.db2.gz LSWZUMYYYMPZFA-LJQANCHMSA-N 1 1 332.488 2.721 40 0 EFABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019348763 212020257 /nfs/dbraw/zinc/02/02/57/212020257.db2.gz FIISTPAFAQXASX-CABCVRRESA-N 1 1 328.378 2.736 40 0 EFABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)no1)N1CCCC1 ZINC000019339077 212018734 /nfs/dbraw/zinc/01/87/34/212018734.db2.gz HMHIFGGQVUETPY-INIZCTEOSA-N 1 1 340.427 2.685 40 0 EFABMO Cn1cc[nH+]c1N1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 ZINC000049342717 214001093 /nfs/dbraw/zinc/00/10/93/214001093.db2.gz ZJCQRLNVCISKNR-UHFFFAOYSA-N 1 1 344.484 2.642 40 0 EFABMO COc1ccccc1C[N@H+]1CCC[C@H](c2nn(C)c3nccnc23)C1 ZINC000019289396 212012264 /nfs/dbraw/zinc/01/22/64/212012264.db2.gz VEOKFCAFTDFZFT-HNNXBMFYSA-N 1 1 337.427 2.752 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000019289385 212011753 /nfs/dbraw/zinc/01/17/53/212011753.db2.gz OAUDZTSYLKDNLP-OAHLLOKOSA-N 1 1 337.427 2.752 40 0 EFABMO Cc1cnc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)o2)cn1 ZINC000019239192 212008442 /nfs/dbraw/zinc/00/84/42/212008442.db2.gz KVGQNBGCDKABNJ-AWEZNQCLSA-N 1 1 339.374 2.964 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)s1 ZINC000019217261 212005798 /nfs/dbraw/zinc/00/57/98/212005798.db2.gz GVHSBPJAESICFX-APWZRJJASA-N 1 1 340.448 2.873 40 0 EFABMO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccc(C)o4)C3)cc(N)n2n1 ZINC000019216611 212005364 /nfs/dbraw/zinc/00/53/64/212005364.db2.gz IXPVNGILTFEYSO-CQSZACIVSA-N 1 1 325.416 2.901 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@H](C)c2ccc(Cl)s2)CC1 ZINC000078394350 217047060 /nfs/dbraw/zinc/04/70/60/217047060.db2.gz RHQMOYNTFLDQEV-GFCCVEGCSA-N 1 1 329.897 2.606 40 0 EFABMO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2c[nH]nc2C)CC1 ZINC000078553350 217074826 /nfs/dbraw/zinc/07/48/26/217074826.db2.gz YXGKRWHGMAHQST-OAHLLOKOSA-N 1 1 345.466 2.850 40 0 EFABMO CC(=O)Nc1cccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1 ZINC000079311491 217207739 /nfs/dbraw/zinc/20/77/39/217207739.db2.gz FXQHZWQVAZEMDO-FQEVSTJZSA-N 1 1 342.439 2.655 40 0 EFABMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677950 220055691 /nfs/dbraw/zinc/05/56/91/220055691.db2.gz WEVVDIYGADOERQ-SCLBCKFNSA-N 1 1 338.398 2.597 40 0 EFABMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000081361534 217389014 /nfs/dbraw/zinc/38/90/14/217389014.db2.gz YEFZTCGDMXRCJI-GFCCVEGCSA-N 1 1 342.281 2.592 40 0 EFABMO COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@H+]2Cc2cnn(C)c2)cc1 ZINC000012408112 211370664 /nfs/dbraw/zinc/37/06/64/211370664.db2.gz VXGSXMCODLSMLB-FRQCXROJSA-N 1 1 327.428 2.861 40 0 EFABMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](C)O)cc1O ZINC000012185624 211314317 /nfs/dbraw/zinc/31/43/17/211314317.db2.gz GABMPNXETZOVJX-ZDUSSCGKSA-N 1 1 345.395 2.513 40 0 EFABMO COc1cc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](C)O)ccc1O ZINC000012185614 211313706 /nfs/dbraw/zinc/31/37/06/211313706.db2.gz HDSNZJFTYXKBRK-CYBMUJFWSA-N 1 1 345.395 2.513 40 0 EFABMO O=C1NC2(CC[NH+](Cc3cccc(F)c3)CC2)Oc2ccccc21 ZINC000012183492 211312042 /nfs/dbraw/zinc/31/20/42/211312042.db2.gz GPEVRNODWLFKHY-UHFFFAOYSA-N 1 1 326.371 2.940 40 0 EFABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000012377833 211360191 /nfs/dbraw/zinc/36/01/91/211360191.db2.gz XOOKMKTWIXOUPA-TZMCWYRMSA-N 1 1 328.250 2.921 40 0 EFABMO Cc1cc(-c2snnc2C2CC[NH+](Cc3cncn3C)CC2)on1 ZINC000012126444 211300146 /nfs/dbraw/zinc/30/01/46/211300146.db2.gz IMHWGXIFKMYSFS-UHFFFAOYSA-N 1 1 344.444 2.615 40 0 EFABMO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cn2nnc3ccccc32)C1 ZINC000012119092 211298192 /nfs/dbraw/zinc/29/81/92/211298192.db2.gz VPWFAHHVJUPRAC-AWEZNQCLSA-N 1 1 349.394 2.634 40 0 EFABMO O=c1oc2ccccc2n1[C@H]1CCC[N@@H+](Cn2nnc3ccccc32)C1 ZINC000012119092 211298196 /nfs/dbraw/zinc/29/81/96/211298196.db2.gz VPWFAHHVJUPRAC-AWEZNQCLSA-N 1 1 349.394 2.634 40 0 EFABMO C[C@@H]1C[N@H+](CC2CCN(c3nnc(C4CC4)s3)CC2)C[C@H](C)O1 ZINC000091478095 218012474 /nfs/dbraw/zinc/01/24/74/218012474.db2.gz HPCXXIALRHJZDI-BETUJISGSA-N 1 1 336.505 2.741 40 0 EFABMO CCc1nc(CN2CC[NH+](C/C(C)=C/c3ccccc3)CC2)no1 ZINC000093283802 218211921 /nfs/dbraw/zinc/21/19/21/218211921.db2.gz FRPABWIJGMHWHO-DTQAZKPQSA-N 1 1 326.444 2.853 40 0 EFABMO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=[NH+][C@H]2[C@@H]1CC=CCC1 ZINC000009426318 211082819 /nfs/dbraw/zinc/08/28/19/211082819.db2.gz YWJPGDKBNKRENO-CZUORRHYSA-N 1 1 339.399 2.571 40 0 EFABMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1noc2c1CCCCC2 ZINC000009227036 211054334 /nfs/dbraw/zinc/05/43/34/211054334.db2.gz ZNAJFNMKAYKSBS-UHFFFAOYSA-N 1 1 339.439 2.732 40 0 EFABMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1noc2c1CCCCC2 ZINC000009227036 211054338 /nfs/dbraw/zinc/05/43/38/211054338.db2.gz ZNAJFNMKAYKSBS-UHFFFAOYSA-N 1 1 339.439 2.732 40 0 EFABMO C[C@H](CO)[N@@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101100 218281733 /nfs/dbraw/zinc/28/17/33/218281733.db2.gz GHGRLXQXHXTUFU-GOSISDBHSA-N 1 1 343.467 2.873 40 0 EFABMO CCC[C@@H](C(=O)OCC)[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000095397396 218329917 /nfs/dbraw/zinc/32/99/17/218329917.db2.gz ISWKFZWRZQIEPN-HNNXBMFYSA-N 1 1 338.473 2.674 40 0 EFABMO O=C(C[C@H]1OCCc2ccccc21)Nc1c[nH+]ccc1-n1cccn1 ZINC000095397481 218330000 /nfs/dbraw/zinc/33/00/00/218330000.db2.gz OTMNLQDOOHRKBM-GOSISDBHSA-N 1 1 334.379 2.910 40 0 EFABMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc2ccccn2c1 ZINC000095400045 218333339 /nfs/dbraw/zinc/33/33/39/218333339.db2.gz WGZOUMLDLMNRQY-MNEFBYGVSA-N 1 1 341.455 2.559 40 0 EFABMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000096488961 218865872 /nfs/dbraw/zinc/86/58/72/218865872.db2.gz GGDICEHNTRNDDX-UHFFFAOYSA-N 1 1 341.459 2.918 40 0 EFABMO COC(=O)[C@@H]1C[C@@]23CCC[N@H+]4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000005141057 210398263 /nfs/dbraw/zinc/39/82/63/210398263.db2.gz IYLRRIUNGGQRTN-NWRWZVFGSA-N 1 1 338.451 2.930 40 0 EFABMO C[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097359566 219014843 /nfs/dbraw/zinc/01/48/43/219014843.db2.gz WIGABDCCHSWGLX-LVQVYYBASA-N 1 1 325.497 2.752 40 0 EFABMO C[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097359566 219014845 /nfs/dbraw/zinc/01/48/45/219014845.db2.gz WIGABDCCHSWGLX-LVQVYYBASA-N 1 1 325.497 2.752 40 0 EFABMO O=C(Nc1cc(Cl)ccc1F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119773024 221397634 /nfs/dbraw/zinc/39/76/34/221397634.db2.gz RYNYNEYDOKZJLU-LBPRGKRZSA-N 1 1 341.814 2.665 40 0 EFABMO COc1cccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000072227909 257686600 /nfs/dbraw/zinc/68/66/00/257686600.db2.gz MTTFYUPIGSPULU-CVEARBPZSA-N 1 1 332.787 2.772 40 0 EFABMO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+][C@@H](c1ccncc1)CO2 ZINC000306146004 257926530 /nfs/dbraw/zinc/92/65/30/257926530.db2.gz YYHGNAGLLURADR-OAHLLOKOSA-N 1 1 333.432 2.512 40 0 EFABMO CCN1CC[C@@H](NC2CC[NH+](C)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370730 285375949 /nfs/dbraw/zinc/37/59/49/285375949.db2.gz VGCPTLVXNDXEMQ-SJLPKXTDSA-N 1 1 341.421 2.923 40 0 EFABMO Fc1cccc([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)c1 ZINC000036752802 132392536 /nfs/dbraw/zinc/39/25/36/132392536.db2.gz PXODMLLFQCUBGC-GOSISDBHSA-N 1 1 342.418 2.789 40 0 EFABMO Fc1cccc([C@H]2CCC[N@H+]2Cc2ccnc(N3CCOCC3)n2)c1 ZINC000036752802 132392537 /nfs/dbraw/zinc/39/25/37/132392537.db2.gz PXODMLLFQCUBGC-GOSISDBHSA-N 1 1 342.418 2.789 40 0 EFABMO O[C@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)CCO2 ZINC000036741385 132392892 /nfs/dbraw/zinc/39/28/92/132392892.db2.gz RIZRQYPSIVIWLO-LJQANCHMSA-N 1 1 342.414 2.616 40 0 EFABMO COc1cc2c(cc1OC)[C@]1(C)CC(C)(C)[NH+]=C(SC)N1CC2 ZINC000001322137 286261203 /nfs/dbraw/zinc/26/12/03/286261203.db2.gz UFETWOZBNWDOMC-SFHVURJKSA-O 1 1 335.493 2.979 40 0 EFABMO C[N@@H+](CCC1OCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000123912961 222351935 /nfs/dbraw/zinc/35/19/35/222351935.db2.gz UDUITLRQYCVITD-ZFWWWQNUSA-N 1 1 332.227 2.646 40 0 EFABMO Cc1nc(C[NH+]2CCC(CNC(=O)NCc3ccoc3)CC2)oc1C ZINC000171859031 227320703 /nfs/dbraw/zinc/32/07/03/227320703.db2.gz YBVGWGORGXEFMF-UHFFFAOYSA-N 1 1 346.431 2.596 40 0 EFABMO C[NH+]1CCN(c2ncc(NC(=O)Nc3cccc(Cl)c3)cn2)CC1 ZINC000075162022 544472916 /nfs/dbraw/zinc/47/29/16/544472916.db2.gz HMNAASHDURCROG-UHFFFAOYSA-N 1 1 346.822 2.526 40 0 EFABMO COc1ccc(C2(NC(=O)[C@@H](C)C[NH+]3CCOCC3)CCCC2)cc1 ZINC000270907645 265842106 /nfs/dbraw/zinc/84/21/06/265842106.db2.gz GULCRSDIRBJMFD-INIZCTEOSA-N 1 1 346.471 2.549 40 0 EFABMO Cc1c([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)nnn1-c1ccc(Cl)cc1 ZINC000183571066 273048167 /nfs/dbraw/zinc/04/81/67/273048167.db2.gz KOTACLLLDAJELH-OSAQELSMSA-N 1 1 332.835 2.817 40 0 EFABMO CO[C@@H]1CCCOC12CCN(C(=O)CCn1cc[nH+]c1C(C)C)CC2 ZINC000257239962 274062804 /nfs/dbraw/zinc/06/28/04/274062804.db2.gz HRPGDEGLXOUXHG-MRXNPFEDSA-N 1 1 349.475 2.583 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2cccs2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109480 274080797 /nfs/dbraw/zinc/08/07/97/274080797.db2.gz SWNHRRTYWNZJDG-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CCN(Cc2cccs2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109480 274080798 /nfs/dbraw/zinc/08/07/98/274080798.db2.gz SWNHRRTYWNZJDG-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CCN(Cc2cccs2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109480 274080800 /nfs/dbraw/zinc/08/08/00/274080800.db2.gz SWNHRRTYWNZJDG-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO C(C1CCC2(CC1)OCCO2)[N@H+]1CCSC2(CCOCC2)C1 ZINC000190341479 275389630 /nfs/dbraw/zinc/38/96/30/275389630.db2.gz WOJNSHXZNQOEBQ-UHFFFAOYSA-N 1 1 327.490 2.518 40 0 EFABMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2CCOc3ccccc32)C1 ZINC000195554847 277155297 /nfs/dbraw/zinc/15/52/97/277155297.db2.gz KJZIICMAGKMOKZ-XYJFISCASA-N 1 1 343.471 2.678 40 0 EFABMO COc1ncccc1CN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC000096201214 278095165 /nfs/dbraw/zinc/09/51/65/278095165.db2.gz RQUFDMFGVWJSRJ-OAHLLOKOSA-N 1 1 343.475 2.704 40 0 EFABMO Cc1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)nc1 ZINC000096158681 279014741 /nfs/dbraw/zinc/01/47/41/279014741.db2.gz JLIHAJVFFYUARQ-INIZCTEOSA-N 1 1 342.443 2.638 40 0 EFABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccncc3)Cc3ccc(F)cc3N12 ZINC000225484636 280309182 /nfs/dbraw/zinc/30/91/82/280309182.db2.gz XLBBSSGBGCCGFP-INIZCTEOSA-N 1 1 327.359 2.952 40 0 biogenic,in-vitro EFABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccncc3)Cc3ccc(F)cc3N12 ZINC000225484636 280309184 /nfs/dbraw/zinc/30/91/84/280309184.db2.gz XLBBSSGBGCCGFP-INIZCTEOSA-N 1 1 327.359 2.952 40 0 biogenic,in-vitro EFABMO CC[C@]1(C)CN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000249055062 281319447 /nfs/dbraw/zinc/31/94/47/281319447.db2.gz GRASBDFWZKUIFY-TXPKVOOTSA-N 1 1 337.508 2.850 40 0 EFABMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085787230 302217113 /nfs/dbraw/zinc/21/71/13/302217113.db2.gz KQUQAUJKYOFORL-FUHWJXTLSA-N 1 1 336.501 2.804 40 0 EFABMO Clc1ccc(C[N@H+]2CCCN(c3ncnc4n[nH]cc43)CC2)cc1 ZINC000301095912 311118672 /nfs/dbraw/zinc/11/86/72/311118672.db2.gz VLLNSPUXMAAXRZ-UHFFFAOYSA-N 1 1 342.834 2.719 40 0 EFABMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCc2ncc[nH]2)CC1 ZINC000329876450 311295840 /nfs/dbraw/zinc/29/58/40/311295840.db2.gz IALZZPHNXWBICJ-INIZCTEOSA-N 1 1 332.492 2.845 40 0 EFABMO C[C@H]1C[C@@H](c2nc(-c3cn(C)nc3C(F)(F)F)no2)CC[N@H+]1C ZINC000331618469 311397978 /nfs/dbraw/zinc/39/79/78/311397978.db2.gz SXUVCMSKTKTWHH-IUCAKERBSA-N 1 1 329.326 2.687 40 0 EFABMO C[C@H](O)[C@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093988912 473166364 /nfs/dbraw/zinc/16/63/64/473166364.db2.gz HEAMQJPTMYQEJN-STQMWFEESA-N 1 1 328.250 2.921 40 0 EFABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000095533782 473222126 /nfs/dbraw/zinc/22/21/26/473222126.db2.gz GULLJVQGPCBNMJ-HNNXBMFYSA-N 1 1 328.347 2.676 40 0 EFABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccccn3)n[nH]2)cc1OCC ZINC000095534537 473224139 /nfs/dbraw/zinc/22/41/39/473224139.db2.gz JINJLLBPOYXPOZ-MRXNPFEDSA-N 1 1 339.399 2.712 40 0 EFABMO O=C(NCc1ccco1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccsc2)C1 ZINC000096038947 473258654 /nfs/dbraw/zinc/25/86/54/473258654.db2.gz NYKYHZKBHZUOAN-DJIMGWMZSA-N 1 1 346.452 2.637 40 0 EFABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](CCc1ccc(OC)c(OC)c1)C2 ZINC000096039149 473259553 /nfs/dbraw/zinc/25/95/53/473259553.db2.gz LVPJSJSMPHZSRT-WOJBJXKFSA-N 1 1 349.471 2.764 40 0 EFABMO O=C(NCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccoc2)C1 ZINC000096041286 473261095 /nfs/dbraw/zinc/26/10/95/473261095.db2.gz RKTQDFYPSKRIPA-USXIJHARSA-N 1 1 346.452 2.637 40 0 EFABMO c1ccc(COC[C@]23CCCO[C@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040257 473261228 /nfs/dbraw/zinc/26/12/28/473261228.db2.gz KFKDUGIPYWWTAH-VQTJNVASSA-N 1 1 346.471 2.648 40 0 EFABMO O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096043061 473264780 /nfs/dbraw/zinc/26/47/80/473264780.db2.gz NJAYWYBTOBGUDC-BHYGNILZSA-N 1 1 343.452 2.761 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccccn3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042495 473265719 /nfs/dbraw/zinc/26/57/19/473265719.db2.gz YKTQJBZKBCPFRK-KURKYZTESA-N 1 1 345.468 2.795 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccccn3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042495 473265724 /nfs/dbraw/zinc/26/57/24/473265724.db2.gz YKTQJBZKBCPFRK-KURKYZTESA-N 1 1 345.468 2.795 40 0 EFABMO c1cc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3O2)ncn1 ZINC000096046119 473266477 /nfs/dbraw/zinc/26/64/77/473266477.db2.gz VGYNRJJPQWJJJD-POZUXBRTSA-N 1 1 339.395 2.557 40 0 EFABMO Cc1nc(COC[C@H]2C[N@@H+](CC3CC3)Cc3ncn(C)c32)cs1 ZINC000096045039 473267758 /nfs/dbraw/zinc/26/77/58/473267758.db2.gz BMTKUKSBYRRYLS-CQSZACIVSA-N 1 1 332.473 2.711 40 0 EFABMO O=C(Cc1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096047113 473268553 /nfs/dbraw/zinc/26/85/53/473268553.db2.gz BQTBPFDKSGTAJX-HXUWFJFHSA-N 1 1 339.439 2.732 40 0 EFABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047619 473268793 /nfs/dbraw/zinc/26/87/93/473268793.db2.gz BQVYKLFFDUZCFZ-YJBOKZPZSA-N 1 1 345.468 2.997 40 0 EFABMO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047619 473268801 /nfs/dbraw/zinc/26/88/01/473268801.db2.gz BQVYKLFFDUZCFZ-YJBOKZPZSA-N 1 1 345.468 2.997 40 0 EFABMO O=C(c1ccoc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096046957 473269416 /nfs/dbraw/zinc/26/94/16/473269416.db2.gz GXBNSYFJONHKRS-IBGZPJMESA-N 1 1 325.412 2.803 40 0 EFABMO CN(Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096047976 473269472 /nfs/dbraw/zinc/26/94/72/473269472.db2.gz CZBFXMSDEOILCT-LJQANCHMSA-N 1 1 341.455 2.930 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096047036 473269816 /nfs/dbraw/zinc/26/98/16/473269816.db2.gz SCSXIMAXTOOFDK-IBGZPJMESA-N 1 1 325.412 2.803 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096048007 473269941 /nfs/dbraw/zinc/26/99/41/473269941.db2.gz MJXUJYLKLUHPCU-HNNXBMFYSA-N 1 1 347.484 2.992 40 0 EFABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047617 473270094 /nfs/dbraw/zinc/27/00/94/473270094.db2.gz BQVYKLFFDUZCFZ-MAUKXSAKSA-N 1 1 345.468 2.997 40 0 EFABMO COc1ccc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047617 473270098 /nfs/dbraw/zinc/27/00/98/473270098.db2.gz BQVYKLFFDUZCFZ-MAUKXSAKSA-N 1 1 345.468 2.997 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3ccoc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050763 473273036 /nfs/dbraw/zinc/27/30/36/473273036.db2.gz AMVWFFGBKFAIMD-IBGZPJMESA-N 1 1 340.379 2.637 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)n1 ZINC000096049548 473273171 /nfs/dbraw/zinc/27/31/71/473273171.db2.gz ZMMGWAKRKPPLCA-GOSISDBHSA-N 1 1 344.484 2.657 40 0 EFABMO Cc1cccc(CN2CC[C@]3(CC[N@@H+](CC4CCOCC4)C3)C2=O)c1 ZINC000096050599 473273188 /nfs/dbraw/zinc/27/31/88/473273188.db2.gz KBUMPSBMIVXARB-NRFANRHFSA-N 1 1 342.483 2.846 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000096050630 473273844 /nfs/dbraw/zinc/27/38/44/473273844.db2.gz PEFDQEFNZAIBEE-HXUWFJFHSA-N 1 1 339.414 2.845 40 0 EFABMO Cc1cccc(CN2CC[C@@]3(CCC[N@@H+](Cc4ccco4)C3)C2=O)n1 ZINC000096048787 473270648 /nfs/dbraw/zinc/27/06/48/473270648.db2.gz XRBFRNVMGXOUAI-HXUWFJFHSA-N 1 1 339.439 2.998 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccco2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051174 473275306 /nfs/dbraw/zinc/27/53/06/473275306.db2.gz INSPKZCILPDKQD-INIZCTEOSA-N 1 1 334.370 2.807 40 0 EFABMO O=C([C@H]1C[N@@H+](Cc2cccs2)CC12CCOCC2)N1CCCC1 ZINC000096052173 473275474 /nfs/dbraw/zinc/27/54/74/473275474.db2.gz WRVAIJVKHHVILV-MRXNPFEDSA-N 1 1 334.485 2.599 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cc1 ZINC000096055833 473279606 /nfs/dbraw/zinc/27/96/06/473279606.db2.gz JLQPJZBUPOADNE-SJORKVTESA-N 1 1 343.452 2.641 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@H](C(=O)NC(C)C)C3(C2)CCOCC3)s1 ZINC000096052099 473276538 /nfs/dbraw/zinc/27/65/38/473276538.db2.gz LIRDJNRXNAWALF-MRXNPFEDSA-N 1 1 336.501 2.810 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055113 473279654 /nfs/dbraw/zinc/27/96/54/473279654.db2.gz VCDMXQBQZCWDQR-IRXDYDNUSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055113 473279660 /nfs/dbraw/zinc/27/96/60/473279660.db2.gz VCDMXQBQZCWDQR-IRXDYDNUSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055113 473279667 /nfs/dbraw/zinc/27/96/67/473279667.db2.gz VCDMXQBQZCWDQR-IRXDYDNUSA-N 1 1 329.469 2.618 40 0 EFABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096055898 473278096 /nfs/dbraw/zinc/27/80/96/473278096.db2.gz UVTWVZUZVUPLDF-LPHOPBHVSA-N 1 1 334.460 2.765 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000096055319 473279166 /nfs/dbraw/zinc/27/91/66/473279166.db2.gz OKIXGJGWTXGJOQ-UKPHBRMFSA-N 1 1 334.441 2.932 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000096055319 473279177 /nfs/dbraw/zinc/27/91/77/473279177.db2.gz OKIXGJGWTXGJOQ-UKPHBRMFSA-N 1 1 334.441 2.932 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cs1 ZINC000096055034 473279714 /nfs/dbraw/zinc/27/97/14/473279714.db2.gz JHQVMIFJKJYNCS-ROUUACIJSA-N 1 1 329.469 2.618 40 0 EFABMO C[N@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096057147 473280670 /nfs/dbraw/zinc/28/06/70/473280670.db2.gz VOYJLZRZQKCEJB-QGTPRVQTSA-N 1 1 344.411 2.624 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096057147 473280673 /nfs/dbraw/zinc/28/06/73/473280673.db2.gz VOYJLZRZQKCEJB-QGTPRVQTSA-N 1 1 344.411 2.624 40 0 EFABMO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096057140 473281172 /nfs/dbraw/zinc/28/11/72/473281172.db2.gz HQTKSXOIQGDONB-UHOSZYNNSA-N 1 1 330.428 2.984 40 0 EFABMO O=C(NC1CCCC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]2O1 ZINC000096058251 473282160 /nfs/dbraw/zinc/28/21/60/473282160.db2.gz DJHXZKKFPLRHME-RRQGHBQHSA-N 1 1 334.485 2.786 40 0 EFABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccccn2)cs1 ZINC000096056583 473282235 /nfs/dbraw/zinc/28/22/35/473282235.db2.gz QVHFRTPLZCFRSS-IAGOWNOFSA-N 1 1 342.468 2.612 40 0 EFABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1ccccc1 ZINC000096061673 473285247 /nfs/dbraw/zinc/28/52/47/473285247.db2.gz OJRZKNUDGICGLR-MOPGFXCFSA-N 1 1 338.455 2.643 40 0 EFABMO CCOC[C@@H]1C[N@H+](Cc2ccncc2)Cc2cn(CC3CC3)nc21 ZINC000096059974 473282500 /nfs/dbraw/zinc/28/25/00/473282500.db2.gz FBJKYSBZKBTYMN-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO CCOC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2cn(CC3CC3)nc21 ZINC000096059974 473282508 /nfs/dbraw/zinc/28/25/08/473282508.db2.gz FBJKYSBZKBTYMN-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO COC[C@H]1C[N@H+](Cc2cnn(C)c2)Cc2cn(CC3CCCC3)nc21 ZINC000096059989 473283325 /nfs/dbraw/zinc/28/33/25/473283325.db2.gz XYTNOMCKOJLZPP-GOSISDBHSA-N 1 1 343.475 2.553 40 0 EFABMO COC[C@H]1C[N@@H+](Cc2cnn(C)c2)Cc2cn(CC3CCCC3)nc21 ZINC000096059989 473283332 /nfs/dbraw/zinc/28/33/32/473283332.db2.gz XYTNOMCKOJLZPP-GOSISDBHSA-N 1 1 343.475 2.553 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCC4)[C@@H]3C2)s1 ZINC000096058267 473283436 /nfs/dbraw/zinc/28/34/36/473283436.db2.gz HPZIWDQBGRNJET-FGTMMUONSA-N 1 1 348.512 2.906 40 0 EFABMO c1coc(C[N@H+]2Cc3ccnn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059230 473284267 /nfs/dbraw/zinc/28/42/67/473284267.db2.gz SQWVPCAUHHUPOY-QGZVFWFLSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3ccnn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059230 473284274 /nfs/dbraw/zinc/28/42/74/473284274.db2.gz SQWVPCAUHHUPOY-QGZVFWFLSA-N 1 1 338.411 2.720 40 0 EFABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccncc1)C2 ZINC000096059949 473284354 /nfs/dbraw/zinc/28/43/54/473284354.db2.gz ZCFUGCRLSDACJD-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccncc1)C2 ZINC000096059949 473284361 /nfs/dbraw/zinc/28/43/61/473284361.db2.gz ZCFUGCRLSDACJD-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@H](CC[N@H+]3CC3CCOCC3)O2)c1 ZINC000096064641 473287223 /nfs/dbraw/zinc/28/72/23/473287223.db2.gz KELPCSPSCATSHY-UFYCRDLUSA-N 1 1 346.471 2.647 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1cncc(C)c1)CC2 ZINC000096078389 473292036 /nfs/dbraw/zinc/29/20/36/473292036.db2.gz OHQKYOAEMBPNQH-SFHVURJKSA-N 1 1 345.487 2.742 40 0 EFABMO Cc1occc1C(=O)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC000096087582 473293553 /nfs/dbraw/zinc/29/35/53/473293553.db2.gz SDMGQKMEXPFXCZ-CYBMUJFWSA-N 1 1 330.432 2.842 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1 ZINC000096108076 473300373 /nfs/dbraw/zinc/30/03/73/473300373.db2.gz DTMUDHDPSCKKHK-GDBMZVCRSA-N 1 1 346.452 2.623 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096109018 473301746 /nfs/dbraw/zinc/30/17/46/473301746.db2.gz ZEXACSHDSQAHJI-QAPCUYQASA-N 1 1 345.468 2.512 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)s1 ZINC000096108448 473301827 /nfs/dbraw/zinc/30/18/27/473301827.db2.gz RFIKLGJBMXEZPN-KDOFPFPSSA-N 1 1 346.452 2.528 40 0 EFABMO Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2nccs2)C3)n1 ZINC000096108928 473302352 /nfs/dbraw/zinc/30/23/52/473302352.db2.gz YVHMPENQXRQIQM-QAPCUYQASA-N 1 1 345.468 2.512 40 0 EFABMO Cc1cccc(COC[C@]23COC[C@H]2C[N@@H+](Cc2nccs2)C3)n1 ZINC000096108928 473302360 /nfs/dbraw/zinc/30/23/60/473302360.db2.gz YVHMPENQXRQIQM-QAPCUYQASA-N 1 1 345.468 2.512 40 0 EFABMO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1F)C2 ZINC000096109173 473302750 /nfs/dbraw/zinc/30/27/50/473302750.db2.gz HETANMLPTAVGCU-APWZRJJASA-N 1 1 334.435 2.533 40 0 EFABMO O=C(NC[C@]12COC[C@H]1C[N@@H+](Cc1cccs1)C2)c1ccsc1 ZINC000096108462 473302967 /nfs/dbraw/zinc/30/29/67/473302967.db2.gz PRZRRFXKFHMXPJ-PBHICJAKSA-N 1 1 348.493 2.688 40 0 EFABMO Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2ccsc2)cs1 ZINC000096110712 473303366 /nfs/dbraw/zinc/30/33/66/473303366.db2.gz JTFPBIUNGOFQKK-LSDHHAIUSA-N 1 1 333.482 2.888 40 0 EFABMO c1cc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)ccn1 ZINC000096110845 473303864 /nfs/dbraw/zinc/30/38/64/473303864.db2.gz JZJBXUOYSIJMPJ-UXHICEINSA-N 1 1 339.439 2.817 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107616 473300099 /nfs/dbraw/zinc/30/00/99/473300099.db2.gz BZLDQHQWNPSQBO-WMZOPIPTSA-N 1 1 345.468 2.797 40 0 EFABMO CC(C)c1cc(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)on1 ZINC000096128259 473308759 /nfs/dbraw/zinc/30/87/59/473308759.db2.gz ACGNYIUWKPJURL-UHFFFAOYSA-N 1 1 348.472 2.616 40 0 EFABMO C[N@@H+](Cc1cccnc1)C1CC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096159248 473319529 /nfs/dbraw/zinc/31/95/29/473319529.db2.gz RERRGFIJWZTWBH-UHFFFAOYSA-N 1 1 341.434 2.892 40 0 EFABMO Cn1ccnc1CN1CCC2(CC([N@H+](C)Cc3ccccn3)C2)CC1 ZINC000096159260 473319637 /nfs/dbraw/zinc/31/96/37/473319637.db2.gz NHUSPHNCFOXIDN-UHFFFAOYSA-N 1 1 339.487 2.692 40 0 EFABMO Cn1ccnc1CN1CCC2(CC([N@@H+](C)Cc3ccccn3)C2)CC1 ZINC000096159260 473319642 /nfs/dbraw/zinc/31/96/42/473319642.db2.gz NHUSPHNCFOXIDN-UHFFFAOYSA-N 1 1 339.487 2.692 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](Cn4cccn4)O3)C2)s1 ZINC000096160337 473320038 /nfs/dbraw/zinc/32/00/38/473320038.db2.gz FXMNTOFPJLRWJJ-SJLPKXTDSA-N 1 1 347.484 2.703 40 0 EFABMO Cn1cccc1C[N@H+]1CCC2(C1)CCN(Cc1nccs1)CC2 ZINC000096157580 473316057 /nfs/dbraw/zinc/31/60/57/473316057.db2.gz PQBNMYBVZFIANS-UHFFFAOYSA-N 1 1 330.501 2.970 40 0 EFABMO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000096157642 473316455 /nfs/dbraw/zinc/31/64/55/473316455.db2.gz MWNATWZYIJLIGB-UHFFFAOYSA-N 1 1 336.439 2.605 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096158243 473318807 /nfs/dbraw/zinc/31/88/07/473318807.db2.gz BEIJTJUMNBSURV-GOSISDBHSA-N 1 1 327.432 2.574 40 0 EFABMO CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3ccsc3)CC[C@@H]21 ZINC000096185635 473325677 /nfs/dbraw/zinc/32/56/77/473325677.db2.gz GGGBCNNJGOTMOJ-SQNIBIBYSA-N 1 1 345.516 2.713 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2cccs2)n1 ZINC000096184760 473326694 /nfs/dbraw/zinc/32/66/94/473326694.db2.gz JKSXIGUUZKOJBL-ZWKOTPCHSA-N 1 1 341.480 2.869 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096185515 473326887 /nfs/dbraw/zinc/32/68/87/473326887.db2.gz LWXDLDLNCSPPEQ-YSIASYRMSA-N 1 1 341.455 2.644 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096185515 473326894 /nfs/dbraw/zinc/32/68/94/473326894.db2.gz LWXDLDLNCSPPEQ-YSIASYRMSA-N 1 1 341.455 2.644 40 0 EFABMO Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)n1 ZINC000096184755 473327630 /nfs/dbraw/zinc/32/76/30/473327630.db2.gz PXCNZNSNAJFBLW-DLBZAZTESA-N 1 1 325.412 2.780 40 0 EFABMO Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccc(C)n1 ZINC000096184755 473327641 /nfs/dbraw/zinc/32/76/41/473327641.db2.gz PXCNZNSNAJFBLW-DLBZAZTESA-N 1 1 325.412 2.780 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4)CC[C@H]32)o1 ZINC000096186983 473328914 /nfs/dbraw/zinc/32/89/14/473328914.db2.gz GWXGOAZCBOQBMM-KURKYZTESA-N 1 1 341.411 2.744 40 0 EFABMO Cc1cccc(C[N@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)n1 ZINC000096189104 473330044 /nfs/dbraw/zinc/33/00/44/473330044.db2.gz UWNBZIYJDPRQGZ-QGZVFWFLSA-N 1 1 326.444 2.645 40 0 EFABMO Cc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)n1 ZINC000096189104 473330051 /nfs/dbraw/zinc/33/00/51/473330051.db2.gz UWNBZIYJDPRQGZ-QGZVFWFLSA-N 1 1 326.444 2.645 40 0 EFABMO O=C(NCc1cncc2c1CC[N@H+](Cc1ccsc1)C2)C1CC1 ZINC000096189491 473330407 /nfs/dbraw/zinc/33/04/07/473330407.db2.gz QXPSEFSPHZGJGK-UHFFFAOYSA-N 1 1 327.453 2.728 40 0 EFABMO O=C(NCc1cncc2c1CC[N@@H+](Cc1ccsc1)C2)C1CC1 ZINC000096189491 473330416 /nfs/dbraw/zinc/33/04/16/473330416.db2.gz QXPSEFSPHZGJGK-UHFFFAOYSA-N 1 1 327.453 2.728 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@@H+](Cc1ccoc1)C2 ZINC000096189148 473330453 /nfs/dbraw/zinc/33/04/53/473330453.db2.gz CNMMEGTUBRVJRE-SFHVURJKSA-N 1 1 338.411 2.720 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@H+](Cc1ccoc1)C2 ZINC000096189148 473330458 /nfs/dbraw/zinc/33/04/58/473330458.db2.gz CNMMEGTUBRVJRE-SFHVURJKSA-N 1 1 338.411 2.720 40 0 EFABMO Cc1cccc(C[N@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)n1 ZINC000096189105 473331176 /nfs/dbraw/zinc/33/11/76/473331176.db2.gz UWNBZIYJDPRQGZ-KRWDZBQOSA-N 1 1 326.444 2.645 40 0 EFABMO Cc1cccc(C[N@@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)n1 ZINC000096189105 473331181 /nfs/dbraw/zinc/33/11/81/473331181.db2.gz UWNBZIYJDPRQGZ-KRWDZBQOSA-N 1 1 326.444 2.645 40 0 EFABMO Cc1cccc(C[N@@H+]2CCc3ncc(CNc4ccccn4)n3CC2)n1 ZINC000096197108 473332063 /nfs/dbraw/zinc/33/20/63/473332063.db2.gz DFSSSZUMEKIUMW-UHFFFAOYSA-N 1 1 348.454 2.652 40 0 EFABMO Cc1cccc(Cn2c(=O)ccc3c2CC[N@@H+](Cc2ccoc2)CC3)n1 ZINC000096196728 473332192 /nfs/dbraw/zinc/33/21/92/473332192.db2.gz WSKNLPDFDHOJCJ-UHFFFAOYSA-N 1 1 349.434 2.794 40 0 EFABMO Cc1ccc(C[N@@H+]2CCc3ncc(Cn4cccn4)n3CC2)s1 ZINC000096196937 473332494 /nfs/dbraw/zinc/33/24/94/473332494.db2.gz VWLGKYUNYKRWJF-UHFFFAOYSA-N 1 1 327.457 2.556 40 0 EFABMO COc1cccc(C[N@H+]2Cc3cnn(C)c3[C@@H](COCC3CC3)C2)c1 ZINC000096198315 473333645 /nfs/dbraw/zinc/33/36/45/473333645.db2.gz PAKBMSJARPOSIO-GOSISDBHSA-N 1 1 341.455 2.955 40 0 EFABMO COc1cccc(C[N@@H+]2Cc3cnn(C)c3[C@@H](COCC3CC3)C2)c1 ZINC000096198315 473333654 /nfs/dbraw/zinc/33/36/54/473333654.db2.gz PAKBMSJARPOSIO-GOSISDBHSA-N 1 1 341.455 2.955 40 0 EFABMO Cc1cccc(N2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)[nH+]1 ZINC000096200693 473335248 /nfs/dbraw/zinc/33/52/48/473335248.db2.gz XJTFQNPLSKTZOP-ROUUACIJSA-N 1 1 326.444 2.740 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2cccnc2)C3)c1 ZINC000096202177 473337909 /nfs/dbraw/zinc/33/79/09/473337909.db2.gz WZIFMGPUUPMFOC-IBGZPJMESA-N 1 1 343.496 2.868 40 0 EFABMO Cc1noc(C)c1CN1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC000096201207 473338219 /nfs/dbraw/zinc/33/82/19/473338219.db2.gz JQQYHIVJFRDEER-CQSZACIVSA-N 1 1 331.464 2.905 40 0 EFABMO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096202176 473338289 /nfs/dbraw/zinc/33/82/89/473338289.db2.gz JHQLOCGHGWXDBY-LJQANCHMSA-N 1 1 343.496 2.868 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096202301 473338340 /nfs/dbraw/zinc/33/83/40/473338340.db2.gz QLOTZQPMBFTXSR-GOSISDBHSA-N 1 1 344.484 2.575 40 0 EFABMO Cc1cccc(C[N@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096202248 473338383 /nfs/dbraw/zinc/33/83/83/473338383.db2.gz BOTPYAIURMYQPX-FQEVSTJZSA-N 1 1 338.455 2.514 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202174 473338750 /nfs/dbraw/zinc/33/87/50/473338750.db2.gz CJDHKKPXXYWLED-KRWDZBQOSA-N 1 1 349.525 2.929 40 0 EFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)Cc1cccs1)[C@H]2C ZINC000096201221 473338917 /nfs/dbraw/zinc/33/89/17/473338917.db2.gz MRRCJFSNTLVCNK-AWEZNQCLSA-N 1 1 346.500 2.931 40 0 EFABMO c1csc(CN2CCOC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339353 /nfs/dbraw/zinc/33/93/53/473339353.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 1 1 343.496 2.868 40 0 EFABMO c1csc(C[N@H+]2CCOC[C@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339361 /nfs/dbraw/zinc/33/93/61/473339361.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 1 1 343.496 2.868 40 0 EFABMO c1csc(C[N@@H+]2CCOC[C@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096202098 473339370 /nfs/dbraw/zinc/33/93/70/473339370.db2.gz BVFSPEOCGOHPNL-IBGZPJMESA-N 1 1 343.496 2.868 40 0 EFABMO CCOC[C@@H]1CCC2(CCN(C(=O)Cc3ccccc3)CC2)[N@H+]1C ZINC000096206686 473340768 /nfs/dbraw/zinc/34/07/68/473340768.db2.gz QBUMIMSOMYQVLY-SFHVURJKSA-N 1 1 330.472 2.721 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]21)Nc1cccnc1 ZINC000096206086 473340820 /nfs/dbraw/zinc/34/08/20/473340820.db2.gz IDNVGSQIPKAFTO-NXHRZFHOSA-N 1 1 341.411 2.540 40 0 EFABMO Cc1ccncc1COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cnn(C)c1)C2 ZINC000096206021 473340888 /nfs/dbraw/zinc/34/08/88/473340888.db2.gz PNBJGHLMKCJNKS-UXHICEINSA-N 1 1 340.471 2.942 40 0 EFABMO Cc1cc(C[NH+]2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)no1 ZINC000096206262 473340915 /nfs/dbraw/zinc/34/09/15/473340915.db2.gz RLQRDQLUUMWRKS-OAHLLOKOSA-N 1 1 347.390 2.720 40 0 EFABMO COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(Cc1cccnc1OC)CC2 ZINC000096206093 473341006 /nfs/dbraw/zinc/34/10/06/473341006.db2.gz ATXJDOGTESTMPX-SFHVURJKSA-N 1 1 347.503 2.802 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(Cc1cccnc1OC)CC2 ZINC000096206093 473341011 /nfs/dbraw/zinc/34/10/11/473341011.db2.gz ATXJDOGTESTMPX-SFHVURJKSA-N 1 1 347.503 2.802 40 0 EFABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1)c1ccsc1 ZINC000096206469 473341078 /nfs/dbraw/zinc/34/10/78/473341078.db2.gz ULFQHPAOCCLDGC-FUHWJXTLSA-N 1 1 346.452 2.895 40 0 EFABMO CO[C@@H]1CCN(C(=O)c2cccs2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096206854 473341097 /nfs/dbraw/zinc/34/10/97/473341097.db2.gz JEKZFWVYSLBXFK-ARFHVFGLSA-N 1 1 346.452 2.703 40 0 EFABMO Cn1cc(C[N@H+]2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)cn1 ZINC000096207966 473341903 /nfs/dbraw/zinc/34/19/03/473341903.db2.gz XOHKKWDFTMIGRX-MOPGFXCFSA-N 1 1 326.444 2.634 40 0 EFABMO Cc1ncsc1C[N@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC000096207121 473341998 /nfs/dbraw/zinc/34/19/98/473341998.db2.gz XSTURMSANDDMGW-HNNXBMFYSA-N 1 1 332.473 2.707 40 0 EFABMO Cc1ncsc1C[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC000096207121 473342007 /nfs/dbraw/zinc/34/20/07/473342007.db2.gz XSTURMSANDDMGW-HNNXBMFYSA-N 1 1 332.473 2.707 40 0 EFABMO CC(C)C(=O)NCC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000096208099 473342028 /nfs/dbraw/zinc/34/20/28/473342028.db2.gz FNMIMYHLLNYRMJ-QUCCMNQESA-N 1 1 348.462 2.969 40 0 EFABMO CN1CCN(C[C@H]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)O2)CC1 ZINC000096207381 473342070 /nfs/dbraw/zinc/34/20/70/473342070.db2.gz RRBDUIABYFMICP-IEBWSBKVSA-N 1 1 349.544 2.509 40 0 EFABMO CN1CCN(C[C@H]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)O2)CC1 ZINC000096207381 473342076 /nfs/dbraw/zinc/34/20/76/473342076.db2.gz RRBDUIABYFMICP-IEBWSBKVSA-N 1 1 349.544 2.509 40 0 EFABMO CCOc1cccc(C(=O)N2CCC3(CC[C@@H](COC)[N@H+]3C)CC2)c1 ZINC000096208029 473342148 /nfs/dbraw/zinc/34/21/48/473342148.db2.gz XKHOEWMIQGTPAP-KRWDZBQOSA-N 1 1 346.471 2.801 40 0 EFABMO c1ccc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)nc1 ZINC000096209182 473344412 /nfs/dbraw/zinc/34/44/12/473344412.db2.gz CRSSZNAWIVKVIO-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)no1 ZINC000096209227 473344547 /nfs/dbraw/zinc/34/45/47/473344547.db2.gz HSIZXHCMSNKBSV-CRAIPNDOSA-N 1 1 328.416 2.614 40 0 EFABMO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)no1 ZINC000096209227 473344553 /nfs/dbraw/zinc/34/45/53/473344553.db2.gz HSIZXHCMSNKBSV-CRAIPNDOSA-N 1 1 328.416 2.614 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000096208921 473344837 /nfs/dbraw/zinc/34/48/37/473344837.db2.gz GJLAIWLRIINWRM-WBVHZDCISA-N 1 1 331.441 2.659 40 0 EFABMO CO[C@H]1CCN(Cc2nc(C)cs2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096209285 473345250 /nfs/dbraw/zinc/34/52/50/473345250.db2.gz BQZYEIBVBKTPNM-BBWFWOEESA-N 1 1 347.484 2.766 40 0 EFABMO Cc1nnc([C@@H]2CO[C@@H]3C[N@@H+](Cc4ccc5ccccc5n4)C[C@@H]32)o1 ZINC000096209634 473345702 /nfs/dbraw/zinc/34/57/02/473345702.db2.gz LIFYJNMYCWEINZ-JFIYKMOQSA-N 1 1 336.395 2.541 40 0 EFABMO CC[N@H+]1C[C@@H](COC)[C@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000096215511 473346309 /nfs/dbraw/zinc/34/63/09/473346309.db2.gz URAHVALKTLKGFF-HNAYVOBHSA-N 1 1 334.435 2.565 40 0 EFABMO O=C(C[C@H]1C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2O1)NCc1cccs1 ZINC000096216132 473346830 /nfs/dbraw/zinc/34/68/30/473346830.db2.gz CLJKCFBGUWBISZ-YSVLISHTSA-N 1 1 346.452 2.637 40 0 EFABMO c1coc(C[N@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096209862 473347500 /nfs/dbraw/zinc/34/75/00/473347500.db2.gz PFFAMAZDERQHJD-MRXNPFEDSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3cncn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096209862 473347504 /nfs/dbraw/zinc/34/75/04/473347504.db2.gz PFFAMAZDERQHJD-MRXNPFEDSA-N 1 1 338.411 2.720 40 0 EFABMO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215387 473347727 /nfs/dbraw/zinc/34/77/27/473347727.db2.gz SFTJIOQXVFSYRU-IBGZPJMESA-N 1 1 332.444 2.634 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(OC)cc1)C2 ZINC000096216482 473348111 /nfs/dbraw/zinc/34/81/11/473348111.db2.gz JRKPDSZNGWBQBG-FPOVZHCZSA-N 1 1 344.499 2.876 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2ccco2)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096218135 473349187 /nfs/dbraw/zinc/34/91/87/473349187.db2.gz ACPBJUUVUNLAHV-RCCFBDPRSA-N 1 1 347.484 2.766 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1OC)C2 ZINC000096217261 473349632 /nfs/dbraw/zinc/34/96/32/473349632.db2.gz DSUZRTPKOLTACE-CTNGQTDRSA-N 1 1 344.499 2.876 40 0 EFABMO COc1cc(N2CCC[C@]3(CC[N@@H+](CC4CCCC4)C3)C2)ncn1 ZINC000096216589 473350092 /nfs/dbraw/zinc/35/00/92/473350092.db2.gz BISSPXMZHUEFGG-LJQANCHMSA-N 1 1 330.476 2.968 40 0 EFABMO O=C(NC[C@H]1CCC[C@]2(CC[N@@H+](CC3CC3)C2)O1)c1ccsc1 ZINC000096218111 473350110 /nfs/dbraw/zinc/35/01/10/473350110.db2.gz JMKIGXDKVXNKPS-SJLPKXTDSA-N 1 1 334.485 2.902 40 0 EFABMO CCN1C[C@@H](COCc2cccnc2)[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC000096216764 473350261 /nfs/dbraw/zinc/35/02/61/473350261.db2.gz BYYJFHCFBWKSNH-VQTJNVASSA-N 1 1 329.488 2.652 40 0 EFABMO CCN1C[C@@H](COCc2cccnc2)[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC000096216764 473350270 /nfs/dbraw/zinc/35/02/70/473350270.db2.gz BYYJFHCFBWKSNH-VQTJNVASSA-N 1 1 329.488 2.652 40 0 EFABMO Cc1nnc([C@H]2CO[C@@H]3C[N@@H+](CCOc4ccc(Cl)cc4)C[C@H]23)o1 ZINC000096216841 473350394 /nfs/dbraw/zinc/35/03/94/473350394.db2.gz DCNRTHFAJFKLFX-OWCLPIDISA-N 1 1 349.818 2.525 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096219042 473352076 /nfs/dbraw/zinc/35/20/76/473352076.db2.gz KNKFMFCBSKUHJW-MAUKXSAKSA-N 1 1 328.416 2.532 40 0 EFABMO Clc1cncc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ccco4)C[C@H]23)c1 ZINC000096220358 473353061 /nfs/dbraw/zinc/35/30/61/473353061.db2.gz NQKIASLYPIEHJY-CSMYWGQOSA-N 1 1 334.803 2.854 40 0 EFABMO CCc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](CC)C[C@@H]3COC)cc1 ZINC000096220618 473353307 /nfs/dbraw/zinc/35/33/07/473353307.db2.gz XXEMCOMRTJCRNV-UYAOXDASSA-N 1 1 330.472 2.679 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1ccccc1C)C2 ZINC000096219832 473354203 /nfs/dbraw/zinc/35/42/03/473354203.db2.gz ZYDJULOLJXRJFV-GHTZIAJQSA-N 1 1 342.483 2.816 40 0 EFABMO c1ncn2c1C[N@@H+](CC1CCC1)C[C@@H](COCc1ccccn1)C2 ZINC000096219866 473354405 /nfs/dbraw/zinc/35/44/05/473354405.db2.gz KSMLABYYTZIDMD-QGZVFWFLSA-N 1 1 326.444 2.727 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cncn2C)C3)c1 ZINC000096222751 473354821 /nfs/dbraw/zinc/35/48/21/473354821.db2.gz GABAZHLYABIGGI-QUCCMNQESA-N 1 1 340.471 2.964 40 0 EFABMO Cn1cc(N2CC[C@]3(CCC[N@@H+](Cc4ccsc4)C3)C2=O)cn1 ZINC000096224624 473355094 /nfs/dbraw/zinc/35/50/94/473355094.db2.gz WZNLTOYESMDDDH-KRWDZBQOSA-N 1 1 330.457 2.501 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096224313 473355645 /nfs/dbraw/zinc/35/56/45/473355645.db2.gz UBVXIEVVVLHIDX-LJQANCHMSA-N 1 1 325.412 2.689 40 0 EFABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228755 473358365 /nfs/dbraw/zinc/35/83/65/473358365.db2.gz ZRPOCJDFPJMHLT-SFHVURJKSA-N 1 1 336.501 2.640 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)s1 ZINC000096225510 473357375 /nfs/dbraw/zinc/35/73/75/473357375.db2.gz LZEDTEVTCFZQJN-KRWDZBQOSA-N 1 1 335.473 2.644 40 0 EFABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228754 473358772 /nfs/dbraw/zinc/35/87/72/473358772.db2.gz ZRPOCJDFPJMHLT-GOSISDBHSA-N 1 1 336.501 2.640 40 0 EFABMO O=C(c1cccs1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228811 473359404 /nfs/dbraw/zinc/35/94/04/473359404.db2.gz MBPWLKURJKOKIT-GOSISDBHSA-N 1 1 334.485 2.713 40 0 EFABMO FC1(F)CC[N@H+](C2CCOCC2)C[C@]12CCN(c1cccnc1)C2 ZINC000096239600 473362317 /nfs/dbraw/zinc/36/23/17/473362317.db2.gz CLNJPPVBOFYZRL-KRWDZBQOSA-N 1 1 337.414 2.798 40 0 EFABMO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2cccnc2)n1 ZINC000096250071 473363782 /nfs/dbraw/zinc/36/37/82/473363782.db2.gz CLZKCVLEESVYPG-SOLBZPMBSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2cccnc2)n1 ZINC000096250071 473363789 /nfs/dbraw/zinc/36/37/89/473363789.db2.gz CLZKCVLEESVYPG-SOLBZPMBSA-N 1 1 345.468 2.734 40 0 EFABMO c1coc(C[N@@H+]2CC[C@@H]3OCCN(Cc4cccnc4)[C@H]3CC2)c1 ZINC000096249373 473363842 /nfs/dbraw/zinc/36/38/42/473363842.db2.gz PNQTYYMGKCOXSE-OALUTQOASA-N 1 1 327.428 2.540 40 0 EFABMO O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2C1 ZINC000096245565 473364462 /nfs/dbraw/zinc/36/44/62/473364462.db2.gz OAHKYJBBMWDKNQ-CALCHBBNSA-N 1 1 341.842 2.939 40 0 EFABMO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccco4)CC[C@@H]32)cs1 ZINC000096249402 473364484 /nfs/dbraw/zinc/36/44/84/473364484.db2.gz RFZHUHIOIKVRKC-ZWKOTPCHSA-N 1 1 347.484 2.910 40 0 EFABMO Cc1ccc(Nc2ncnc3c2CC[N@@H+](C[C@@H]2CCOC2)CC3)cc1 ZINC000096255826 473366359 /nfs/dbraw/zinc/36/63/59/473366359.db2.gz WQIPOSCXOAZSCC-INIZCTEOSA-N 1 1 338.455 2.966 40 0 EFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1ccsc1)CCC2 ZINC000096259220 473368077 /nfs/dbraw/zinc/36/80/77/473368077.db2.gz YWCAPPURSTWGSX-UHFFFAOYSA-N 1 1 332.473 2.831 40 0 EFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1ccsc1)CCC2 ZINC000096259220 473368085 /nfs/dbraw/zinc/36/80/85/473368085.db2.gz YWCAPPURSTWGSX-UHFFFAOYSA-N 1 1 332.473 2.831 40 0 EFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1cccs1)CCC2 ZINC000096259219 473368112 /nfs/dbraw/zinc/36/81/12/473368112.db2.gz CQCXAJNISCGROJ-UHFFFAOYSA-N 1 1 332.473 2.831 40 0 EFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1cccs1)CCC2 ZINC000096259219 473368113 /nfs/dbraw/zinc/36/81/13/473368113.db2.gz CQCXAJNISCGROJ-UHFFFAOYSA-N 1 1 332.473 2.831 40 0 EFABMO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](CC(C)C)CC2 ZINC000096260518 473368344 /nfs/dbraw/zinc/36/83/44/473368344.db2.gz FBHOEWDWUAFUEY-UHFFFAOYSA-N 1 1 346.519 2.908 40 0 EFABMO COC(=O)[C@H]1CCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000083884541 473372365 /nfs/dbraw/zinc/37/23/65/473372365.db2.gz MLESGGNBMFMEHX-CYBMUJFWSA-N 1 1 335.791 2.570 40 0 EFABMO COC(=O)[C@H]1CCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000083884541 473372371 /nfs/dbraw/zinc/37/23/71/473372371.db2.gz MLESGGNBMFMEHX-CYBMUJFWSA-N 1 1 335.791 2.570 40 0 EFABMO O=C(N[C@@H](c1ccco1)c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000096404182 473381637 /nfs/dbraw/zinc/38/16/37/473381637.db2.gz KUHFMBUQFNNMNT-GOSISDBHSA-N 1 1 325.412 2.859 40 0 EFABMO Cc1cccc(C)c1OCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000096407744 473385152 /nfs/dbraw/zinc/38/51/52/473385152.db2.gz NHIAWQGILCDSGU-FQEVSTJZSA-N 1 1 345.531 2.784 40 0 EFABMO C[N@H+]1CCC[C@H](OC(=O)c2ccccc2I)C1 ZINC000003258775 471438793 /nfs/dbraw/zinc/43/87/93/471438793.db2.gz JWNYCJIVZCFMFJ-JTQLQIEISA-N 1 1 345.180 2.542 40 0 EFABMO COc1ccc(COC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1OC ZINC000006001502 471529733 /nfs/dbraw/zinc/52/97/33/471529733.db2.gz POELIHGDXVFHHB-QGZVFWFLSA-N 1 1 337.460 2.846 40 0 EFABMO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@@H](C)C3)nc(N)c21 ZINC000007358705 471608717 /nfs/dbraw/zinc/60/87/17/471608717.db2.gz USMUVUMNDWDKME-SNVBAGLBSA-N 1 1 332.404 2.522 40 0 EFABMO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@@H](C)C3)nc(N)c21 ZINC000007358705 471608723 /nfs/dbraw/zinc/60/87/23/471608723.db2.gz USMUVUMNDWDKME-SNVBAGLBSA-N 1 1 332.404 2.522 40 0 EFABMO COc1ccc(-c2nnc([C@@H](C)Sc3nc(N)cc(N)[nH+]3)o2)cc1 ZINC000007692828 471631161 /nfs/dbraw/zinc/63/11/61/471631161.db2.gz VXEAHDBQUCSAMT-MRVPVSSYSA-N 1 1 344.400 2.553 40 0 EFABMO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cnc(C)nc2)C3)nc1 ZINC000012135292 471764632 /nfs/dbraw/zinc/76/46/32/471764632.db2.gz GUFZYMACALVEMR-UFRUDQCGSA-N 1 1 338.455 2.608 40 0 EFABMO c1cncc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1 ZINC000012148069 471766124 /nfs/dbraw/zinc/76/61/24/471766124.db2.gz YFUIPFVJRZLAOC-QGZVFWFLSA-N 1 1 326.396 2.992 40 0 EFABMO c1cncc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c1 ZINC000012148069 471766130 /nfs/dbraw/zinc/76/61/30/471766130.db2.gz YFUIPFVJRZLAOC-QGZVFWFLSA-N 1 1 326.396 2.992 40 0 EFABMO Cc1c(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cnn1C ZINC000012187389 471767229 /nfs/dbraw/zinc/76/72/29/471767229.db2.gz JMASTMXWYRRLNN-KRWDZBQOSA-N 1 1 343.427 2.638 40 0 EFABMO Cc1c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)cnn1C ZINC000012187389 471767234 /nfs/dbraw/zinc/76/72/34/471767234.db2.gz JMASTMXWYRRLNN-KRWDZBQOSA-N 1 1 343.427 2.638 40 0 EFABMO Cc1noc(-c2cnc(N3CC[NH+](C)CC3)nc2-c2ccco2)c1C ZINC000012186790 471767487 /nfs/dbraw/zinc/76/74/87/471767487.db2.gz VRMXKLBYVFYTJG-UHFFFAOYSA-N 1 1 339.399 2.760 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019082634 471976468 /nfs/dbraw/zinc/97/64/68/471976468.db2.gz JZXZDQJTTFBPOR-AWEZNQCLSA-N 1 1 330.476 2.607 40 0 EFABMO O[C@@H]1C[C@H]2CN(Cc3ccsc3)[C@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372773 471979939 /nfs/dbraw/zinc/97/99/39/471979939.db2.gz DTPXCMUJTPLMIX-CEXWTWQISA-N 1 1 328.481 2.610 40 0 EFABMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000019364066 471979973 /nfs/dbraw/zinc/97/99/73/471979973.db2.gz KHHWHDMEIUBTDP-UHFFFAOYSA-N 1 1 349.478 2.784 40 0 EFABMO CC(C)n1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2C)c2ccccc21 ZINC000019575320 471981916 /nfs/dbraw/zinc/98/19/16/471981916.db2.gz JXEUDKUXUWNLLD-BPQIPLTHSA-N 1 1 327.472 2.862 40 0 EFABMO CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CC[N@@H+](CC(C)(C)C)C2)n1 ZINC000019693752 471983695 /nfs/dbraw/zinc/98/36/95/471983695.db2.gz WLNRFYIBOLVYQI-CQSZACIVSA-N 1 1 342.491 2.779 40 0 EFABMO CC(=O)N1CCCC[C@@H]2[C@H]1CC[N@H+]2Cc1c(C)nc2sccn12 ZINC000019712520 471984968 /nfs/dbraw/zinc/98/49/68/471984968.db2.gz HRTVIAQOCOWMRI-HUUCEWRRSA-N 1 1 332.473 2.680 40 0 EFABMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000020680731 471993020 /nfs/dbraw/zinc/99/30/20/471993020.db2.gz WFADLTDLKZGSOQ-HNDBUQABSA-N 1 1 347.503 2.901 40 0 EFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cc(C)ccc4[nH]3)C2)CC1 ZINC000035446582 471996830 /nfs/dbraw/zinc/99/68/30/471996830.db2.gz KDEVRUQIMRSOMR-HNNXBMFYSA-N 1 1 326.444 2.672 40 0 biogenic,in-vitro EFABMO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)CC1 ZINC000035446582 471996833 /nfs/dbraw/zinc/99/68/33/471996833.db2.gz KDEVRUQIMRSOMR-HNNXBMFYSA-N 1 1 326.444 2.672 40 0 biogenic,in-vitro EFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4ccc(C)cc4[nH]3)C2)CC1 ZINC000035446582 471996835 /nfs/dbraw/zinc/99/68/35/471996835.db2.gz KDEVRUQIMRSOMR-HNNXBMFYSA-N 1 1 326.444 2.672 40 0 biogenic,in-vitro EFABMO CC[NH+]1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000023423429 472033364 /nfs/dbraw/zinc/03/33/64/472033364.db2.gz ZVIRNNZLKGWCOU-UHFFFAOYSA-N 1 1 330.856 2.876 40 0 EFABMO CC(C)[C@H](CNC(=O)/C=C/c1ccc([C@H]2C[C@@H]2C)o1)[NH+]1CCOCC1 ZINC000042029085 472107676 /nfs/dbraw/zinc/10/76/76/472107676.db2.gz FUPUAMLDLIVEPR-WNGQCVHWSA-N 1 1 346.471 2.889 40 0 EFABMO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000026898329 472154956 /nfs/dbraw/zinc/15/49/56/472154956.db2.gz JCQKPXHKGNJTQQ-FQEVSTJZSA-N 1 1 338.451 2.936 40 0 EFABMO Cc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)o1 ZINC000028405190 472224354 /nfs/dbraw/zinc/22/43/54/472224354.db2.gz MFZNNEUIJDXHOQ-GOSISDBHSA-N 1 1 341.455 2.615 40 0 EFABMO C[N@H+]1CCC[C@@H](C(=O)N2CCC3(CCc4ccccc4O3)CC2)C1 ZINC000085557762 472257567 /nfs/dbraw/zinc/25/75/67/472257567.db2.gz HUYDRWKIFTXXBX-QGZVFWFLSA-N 1 1 328.456 2.715 40 0 EFABMO CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000085786549 472266006 /nfs/dbraw/zinc/26/60/06/472266006.db2.gz XQDRJLYGENAHLF-UKRRQHHQSA-N 1 1 328.503 2.557 40 0 EFABMO O=C(CCc1ccc(Cl)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000044596520 472320655 /nfs/dbraw/zinc/32/06/55/472320655.db2.gz HTIWCGLMUOFYNB-UHFFFAOYSA-N 1 1 345.270 2.765 40 0 EFABMO C[N@H+](CCCOc1ccc(F)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000030268770 472321211 /nfs/dbraw/zinc/32/12/11/472321211.db2.gz TUGRGEOINDMFJY-QGZVFWFLSA-N 1 1 334.366 2.892 40 0 EFABMO C[N@@H+](CCCOc1ccc(F)cc1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000030268770 472321218 /nfs/dbraw/zinc/32/12/18/472321218.db2.gz TUGRGEOINDMFJY-QGZVFWFLSA-N 1 1 334.366 2.892 40 0 EFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000076367455 472332013 /nfs/dbraw/zinc/33/20/13/472332013.db2.gz MFADYMDLENPFCY-KRWDZBQOSA-N 1 1 340.471 2.783 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCCn1ccnc1 ZINC000076387736 472336231 /nfs/dbraw/zinc/33/62/31/472336231.db2.gz CZVSGWYSUOBCKO-SFHVURJKSA-N 1 1 340.471 2.786 40 0 EFABMO Cc1cnn(CCC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000076389554 472336756 /nfs/dbraw/zinc/33/67/56/472336756.db2.gz XQBBRJADVZLQIK-SFHVURJKSA-N 1 1 340.471 2.705 40 0 EFABMO CC[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1ccc2c(c1)OCO2 ZINC000044869016 472345690 /nfs/dbraw/zinc/34/56/90/472345690.db2.gz XHBHHLVUJFZGIK-UHFFFAOYSA-N 1 1 331.372 2.562 40 0 EFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 ZINC000030946367 472355227 /nfs/dbraw/zinc/35/52/27/472355227.db2.gz OGPDAUWCQDQTQK-UHFFFAOYSA-N 1 1 334.379 2.591 40 0 EFABMO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](C)CCOc1ccccc1 ZINC000076490936 472355879 /nfs/dbraw/zinc/35/58/79/472355879.db2.gz TWYYMMDGIOQXOI-UHFFFAOYSA-N 1 1 344.459 2.667 40 0 EFABMO Cn1nc(C(C)(C)C)cc1NC(=O)C[N@@H+](C)CCOc1ccccc1 ZINC000076490936 472355884 /nfs/dbraw/zinc/35/58/84/472355884.db2.gz TWYYMMDGIOQXOI-UHFFFAOYSA-N 1 1 344.459 2.667 40 0 EFABMO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000044998259 472363048 /nfs/dbraw/zinc/36/30/48/472363048.db2.gz QLYPRJGEEQTYCK-INIZCTEOSA-N 1 1 348.487 2.590 40 0 EFABMO O=C(Cc1ccccc1F)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032398918 472428559 /nfs/dbraw/zinc/42/85/59/472428559.db2.gz LQECQEWCAIOWRP-UHFFFAOYSA-N 1 1 326.415 2.933 40 0 EFABMO C[N@@H+](CCN[C@@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098751 472445443 /nfs/dbraw/zinc/44/54/43/472445443.db2.gz RFEIESOJRRFCSX-QGZVFWFLSA-N 1 1 336.501 2.759 40 0 EFABMO CN(CC[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)C1CCCCC1 ZINC000097098751 472445446 /nfs/dbraw/zinc/44/54/46/472445446.db2.gz RFEIESOJRRFCSX-QGZVFWFLSA-N 1 1 336.501 2.759 40 0 EFABMO Cc1cccc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000097096536 472445470 /nfs/dbraw/zinc/44/54/70/472445470.db2.gz GTWMWGDNWGAMFG-GOSISDBHSA-N 1 1 338.455 2.699 40 0 EFABMO C[C@@H](C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000097103878 472448287 /nfs/dbraw/zinc/44/82/87/472448287.db2.gz QSERULWIWIYMCK-KRWDZBQOSA-N 1 1 347.478 2.559 40 0 EFABMO Cc1[nH+]ccn1-c1cncc(N[C@@H](C)[C@@H](O)c2ccc(F)cc2)n1 ZINC000097104623 472448325 /nfs/dbraw/zinc/44/83/25/472448325.db2.gz XAUKJTGHBUDJAI-APPDUMDISA-N 1 1 327.363 2.644 40 0 EFABMO COc1ccccc1-n1cccc1C[N@H+](CCO)Cc1cccnc1 ZINC000057796969 472475713 /nfs/dbraw/zinc/47/57/13/472475713.db2.gz MQMWFUGESQQQJO-UHFFFAOYSA-N 1 1 337.423 2.875 40 0 EFABMO COc1ccccc1-n1cccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000057796969 472475721 /nfs/dbraw/zinc/47/57/21/472475721.db2.gz MQMWFUGESQQQJO-UHFFFAOYSA-N 1 1 337.423 2.875 40 0 EFABMO CC(C)[C@H](CNC(=O)/C=C/c1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000032935163 472482140 /nfs/dbraw/zinc/48/21/40/472482140.db2.gz KCIGOPNXHPDBNR-JZLODUJNSA-N 1 1 336.863 2.826 40 0 EFABMO Cc1ccc(F)cc1C[N@@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000097233864 472485235 /nfs/dbraw/zinc/48/52/35/472485235.db2.gz CJXWMYMCJSAXCO-UHFFFAOYSA-N 1 1 327.403 2.877 40 0 EFABMO Cc1ccc(F)cc1C[N@H+]1CCCN(C(=O)c2ccncc2)CC1 ZINC000097233864 472485240 /nfs/dbraw/zinc/48/52/40/472485240.db2.gz CJXWMYMCJSAXCO-UHFFFAOYSA-N 1 1 327.403 2.877 40 0 EFABMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(Br)c(F)c1 ZINC000071190462 472545255 /nfs/dbraw/zinc/54/52/55/472545255.db2.gz KHFSWFDYLMPZRV-SNVBAGLBSA-N 1 1 329.213 2.612 40 0 EFABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227098 472634291 /nfs/dbraw/zinc/63/42/91/472634291.db2.gz BLOTWHWMIMUAQQ-RTBURBONSA-N 1 1 340.423 2.677 40 0 EFABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227099 472634441 /nfs/dbraw/zinc/63/44/41/472634441.db2.gz BLOTWHWMIMUAQQ-MOPGFXCFSA-N 1 1 340.423 2.677 40 0 EFABMO COc1cccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)c1 ZINC000072227736 472634723 /nfs/dbraw/zinc/63/47/23/472634723.db2.gz CQQJLMVZNQWKEK-HUUCEWRRSA-N 1 1 347.212 2.873 40 0 EFABMO [NH3+][C@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072228201 472635797 /nfs/dbraw/zinc/63/57/97/472635797.db2.gz ODOHJLPGNQBKOM-CABCVRRESA-N 1 1 349.203 2.999 40 0 EFABMO COc1cccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000072227908 472635935 /nfs/dbraw/zinc/63/59/35/472635935.db2.gz MTTFYUPIGSPULU-HZPDHXFCSA-N 1 1 332.787 2.772 40 0 EFABMO COc1ccccc1[C@@]1(O)CCC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000072340970 472661785 /nfs/dbraw/zinc/66/17/85/472661785.db2.gz JILHQMTWRIDWPC-CVAIRZPRSA-N 1 1 341.455 2.548 40 0 EFABMO O=C(CCc1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047228335 472673104 /nfs/dbraw/zinc/67/31/04/472673104.db2.gz TYEASWKBJASBDY-UHFFFAOYSA-N 1 1 338.451 2.768 40 0 EFABMO Cc1cccc(NC(=O)[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)n1 ZINC000047254417 472677509 /nfs/dbraw/zinc/67/75/09/472677509.db2.gz ICJRDWQTAMIFHG-HNNXBMFYSA-N 1 1 325.416 2.652 40 0 EFABMO Cn1cc(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)cn1 ZINC000156217808 472677851 /nfs/dbraw/zinc/67/78/51/472677851.db2.gz NALKGIBYIXBWKL-SFHVURJKSA-N 1 1 327.432 2.596 40 0 EFABMO COc1ccc(-c2ccc(CNC(=O)[C@H]3CSC[NH2+]3)s2)cc1 ZINC000120604819 472717004 /nfs/dbraw/zinc/71/70/04/472717004.db2.gz QTDBMLSZTHGSSL-CQSZACIVSA-N 1 1 334.466 2.702 40 0 EFABMO O=C(C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1c[nH]c2ccccc12 ZINC000061991226 472727875 /nfs/dbraw/zinc/72/78/75/472727875.db2.gz FCBIUSMHBBISDV-CABCVRRESA-N 1 1 347.418 2.632 40 0 EFABMO O=C(C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1c[nH]c2ccccc12 ZINC000061991226 472727880 /nfs/dbraw/zinc/72/78/80/472727880.db2.gz FCBIUSMHBBISDV-CABCVRRESA-N 1 1 347.418 2.632 40 0 EFABMO CCc1[nH+]ccn1CC1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000062129788 472730396 /nfs/dbraw/zinc/73/03/96/472730396.db2.gz RISBTXJMLOKLMQ-UHFFFAOYSA-N 1 1 341.411 2.727 40 0 EFABMO COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1C ZINC000091595310 472781182 /nfs/dbraw/zinc/78/11/82/472781182.db2.gz GXESMGQYKJWSJG-ZFWWWQNUSA-N 1 1 330.384 2.984 40 0 EFABMO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000048190127 472828404 /nfs/dbraw/zinc/82/84/04/472828404.db2.gz FXJAPPLTXBVPQD-KRWDZBQOSA-N 1 1 348.487 2.724 40 0 EFABMO COC(=O)c1cccc(NC(=O)NCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000048326321 472857675 /nfs/dbraw/zinc/85/76/75/472857675.db2.gz ROLXWCJCGWNFIX-OKILXGFUSA-N 1 1 333.432 2.573 40 0 EFABMO CCOC(=O)c1ccc(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000048333569 472858973 /nfs/dbraw/zinc/85/89/73/472858973.db2.gz KQJCKDLDEXGKTD-CQSZACIVSA-N 1 1 333.432 2.717 40 0 EFABMO CCOC(=O)c1ccc(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000048333568 472859006 /nfs/dbraw/zinc/85/90/06/472859006.db2.gz KQJCKDLDEXGKTD-AWEZNQCLSA-N 1 1 333.432 2.717 40 0 EFABMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000157855678 472865843 /nfs/dbraw/zinc/86/58/43/472865843.db2.gz YXZLIXJEDLBQLP-QFBILLFUSA-N 1 1 344.499 2.962 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000107207656 472933915 /nfs/dbraw/zinc/93/39/15/472933915.db2.gz WMEFHDBQESZBKI-AOIWGVFYSA-N 1 1 325.412 2.596 40 0 EFABMO COc1ccccc1-c1nnc([C@H]2CC[N@H+](C3CCN(C)CC3)C2)o1 ZINC000049170029 472934610 /nfs/dbraw/zinc/93/46/10/472934610.db2.gz ZQPQSIQGXLSQMC-AWEZNQCLSA-N 1 1 342.443 2.629 40 0 biogenic,in-vitro EFABMO Cc1cccc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000107229001 472935085 /nfs/dbraw/zinc/93/50/85/472935085.db2.gz DBIIQEDIFLRMMA-WOJBJXKFSA-N 1 1 339.439 2.988 40 0 EFABMO Fc1ccc(C[N@H+]2CC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107226617 472935439 /nfs/dbraw/zinc/93/54/39/472935439.db2.gz FLEVCERPNJKUPS-SJLPKXTDSA-N 1 1 346.381 2.600 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)n1 ZINC000107226204 472935525 /nfs/dbraw/zinc/93/55/25/472935525.db2.gz FAJHCCKMABPPJX-APWZRJJASA-N 1 1 342.418 2.770 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000107228706 472935652 /nfs/dbraw/zinc/93/56/52/472935652.db2.gz XJWCKTVSHCYCHU-IEBWSBKVSA-N 1 1 342.418 2.851 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000107731230 472980146 /nfs/dbraw/zinc/98/01/46/472980146.db2.gz QGHHWOWFABPJQQ-CRAIPNDOSA-N 1 1 346.406 2.753 40 0 EFABMO c1ccc(OCc2cccnc2)c(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000093013544 473025577 /nfs/dbraw/zinc/02/55/77/473025577.db2.gz KLUDPMLBUZRRLY-UHFFFAOYSA-N 1 1 326.396 2.609 40 0 EFABMO c1ccc(OCc2cccnc2)c(C[N@H+]2CCC3(C2)OCCO3)c1 ZINC000093013544 473025582 /nfs/dbraw/zinc/02/55/82/473025582.db2.gz KLUDPMLBUZRRLY-UHFFFAOYSA-N 1 1 326.396 2.609 40 0 EFABMO Cc1ccc(C[N@H+]2CCC3(CC(NS(=O)(=O)C4CC4)C3)C2)cc1C ZINC000108524843 473034482 /nfs/dbraw/zinc/03/44/82/473034482.db2.gz YMQVFHYYYBMGAP-UHFFFAOYSA-N 1 1 348.512 2.740 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530116 473035506 /nfs/dbraw/zinc/03/55/06/473035506.db2.gz INIVVPBLGMPUPM-UYAOXDASSA-N 1 1 343.471 2.936 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530113 473036402 /nfs/dbraw/zinc/03/64/02/473036402.db2.gz INIVVPBLGMPUPM-AZUAARDMSA-N 1 1 343.471 2.936 40 0 EFABMO Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)c3ccccc3C)CC2)n1 ZINC000075162634 473143654 /nfs/dbraw/zinc/14/36/54/473143654.db2.gz WSAGMJBWPXJNLB-UHFFFAOYSA-N 1 1 340.471 2.656 40 0 EFABMO C[C@@H](O)[C@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093988913 473167265 /nfs/dbraw/zinc/16/72/65/473167265.db2.gz HEAMQJPTMYQEJN-OLZOCXBDSA-N 1 1 328.250 2.921 40 0 EFABMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000110642029 473168988 /nfs/dbraw/zinc/16/89/88/473168988.db2.gz XZYATIYBAAKDJK-GJZGRUSLSA-N 1 1 344.377 2.514 40 0 EFABMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000096414891 473394636 /nfs/dbraw/zinc/39/46/36/473394636.db2.gz HZCOUIMAMBKLQS-BLLLJJGKSA-N 1 1 342.443 2.852 40 0 EFABMO CNC(=O)CC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000096421185 473400336 /nfs/dbraw/zinc/40/03/36/473400336.db2.gz IQDPTIBKZGTREZ-UHFFFAOYSA-N 1 1 325.250 2.549 40 0 EFABMO CCC(CC)c1cc(C(=O)N2CCC[N@H+](C3CCOCC3)CC2)on1 ZINC000096423767 473402638 /nfs/dbraw/zinc/40/26/38/473402638.db2.gz NPACYKGGGNDBPI-UHFFFAOYSA-N 1 1 349.475 2.905 40 0 EFABMO Cc1cccc2c(CCC(=O)NCc3c[nH+]c(N(C)C)n3C)c[nH]c21 ZINC000096423716 473402911 /nfs/dbraw/zinc/40/29/11/473402911.db2.gz SYEGQLPOZRKQIF-UHFFFAOYSA-N 1 1 339.443 2.525 40 0 EFABMO COC(=O)c1cccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000096424329 473402945 /nfs/dbraw/zinc/40/29/45/473402945.db2.gz CVXFCLGHFAZALU-MRXNPFEDSA-N 1 1 339.439 2.747 40 0 EFABMO C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000096424637 473404206 /nfs/dbraw/zinc/40/42/06/473404206.db2.gz MGFYIDWVEHDCCG-SFHVURJKSA-N 1 1 325.456 2.805 40 0 EFABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccnc1 ZINC000096431360 473410408 /nfs/dbraw/zinc/41/04/08/473410408.db2.gz GHIYPBFOLJSSIW-IBGZPJMESA-N 1 1 338.455 2.745 40 0 EFABMO C[C@@H]1CCN(C(=O)c2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000096433122 473411745 /nfs/dbraw/zinc/41/17/45/473411745.db2.gz CIAZBVFXNJFUDE-OAHLLOKOSA-N 1 1 327.403 2.957 40 0 EFABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C)n1 ZINC000096434407 473413170 /nfs/dbraw/zinc/41/31/70/473413170.db2.gz YLCJVIQVFQURFE-QGZVFWFLSA-N 1 1 341.459 2.796 40 0 EFABMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000096434836 473414239 /nfs/dbraw/zinc/41/42/39/473414239.db2.gz FDEFCIJSSJLEBP-AWEZNQCLSA-N 1 1 327.432 2.882 40 0 EFABMO COc1cccc(C[C@@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000096440181 473419074 /nfs/dbraw/zinc/41/90/74/473419074.db2.gz LLVSTBYCGVJZQS-CCNLRDMRSA-N 1 1 345.487 2.941 40 0 EFABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C)n(C)n1 ZINC000096441184 473420039 /nfs/dbraw/zinc/42/00/39/473420039.db2.gz MRBMGOBDIHEPAC-SFHVURJKSA-N 1 1 340.471 2.713 40 0 EFABMO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000096441427 473420412 /nfs/dbraw/zinc/42/04/12/473420412.db2.gz JULYSHLLHHODDO-HKUYNNGSSA-N 1 1 330.472 2.671 40 0 EFABMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 ZINC000096443735 473421754 /nfs/dbraw/zinc/42/17/54/473421754.db2.gz YOQGCUDBPSKPPK-INIZCTEOSA-N 1 1 344.459 2.592 40 0 EFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000096444528 473422786 /nfs/dbraw/zinc/42/27/86/473422786.db2.gz BKYNVEMLSYOBHG-HNNXBMFYSA-N 1 1 348.491 2.692 40 0 EFABMO CCO[C@@H](CCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000096447376 473426539 /nfs/dbraw/zinc/42/65/39/473426539.db2.gz ZZKAAJQENLMIMB-MSOLQXFVSA-N 1 1 337.508 2.852 40 0 EFABMO Cc1[nH+]ccn1Cc1cccc(CNc2c(C)c(C)nc3ncnn32)c1 ZINC000096453413 473428323 /nfs/dbraw/zinc/42/83/23/473428323.db2.gz GFVNFSMXSNBJLO-UHFFFAOYSA-N 1 1 347.426 2.906 40 0 EFABMO Cc1cc(N2CCC(NC(=O)Cc3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000096454877 473431263 /nfs/dbraw/zinc/43/12/63/473431263.db2.gz WNBHCENHKSHOPK-UHFFFAOYSA-N 1 1 342.418 2.560 40 0 EFABMO CCn1cc(C(=O)NCCCNc2ccc(C)c[nH+]2)c(C(C)C)n1 ZINC000096461204 473434000 /nfs/dbraw/zinc/43/40/00/473434000.db2.gz NYSHCUQGYKOGGZ-UHFFFAOYSA-N 1 1 329.448 2.962 40 0 EFABMO COc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(F)c1 ZINC000096476699 473440059 /nfs/dbraw/zinc/44/00/59/473440059.db2.gz ABXJBNFYGYDNHW-ZDUSSCGKSA-N 1 1 337.416 2.959 40 0 EFABMO CO[C@H]1CC[C@H]2OCC[N@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484548 473443330 /nfs/dbraw/zinc/44/33/30/473443330.db2.gz AUJAZJPXEWMURD-VVLHAWIVSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@H]1CC[C@H]2OCC[N@@H+](C[C@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000096484548 473443335 /nfs/dbraw/zinc/44/33/35/473443335.db2.gz AUJAZJPXEWMURD-VVLHAWIVSA-N 1 1 325.836 2.642 40 0 EFABMO C[N@@H+]1CC[C@@H](CNC(=O)c2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485940 473444143 /nfs/dbraw/zinc/44/41/43/473444143.db2.gz GHJGJNAKFFGJMB-LRDDRELGSA-N 1 1 348.809 2.692 40 0 EFABMO C[N@H+]1CC[C@@H](CNC(=O)c2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485940 473444146 /nfs/dbraw/zinc/44/41/46/473444146.db2.gz GHJGJNAKFFGJMB-LRDDRELGSA-N 1 1 348.809 2.692 40 0 EFABMO O=C(Nc1ccnn1-c1cc[nH+]cc1)c1cccc(OCC(F)F)n1 ZINC000096485500 473444773 /nfs/dbraw/zinc/44/47/73/473444773.db2.gz DOZQLYDUDFQCPC-UHFFFAOYSA-N 1 1 345.309 2.559 40 0 EFABMO COC[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485950 473444884 /nfs/dbraw/zinc/44/48/84/473444884.db2.gz FEPMXSHENAYPHZ-AXAPSJFSSA-N 1 1 342.842 2.871 40 0 EFABMO CCOC(=O)N[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000096489779 473446753 /nfs/dbraw/zinc/44/67/53/473446753.db2.gz NPVZITLVKOFLNQ-ZDUSSCGKSA-N 1 1 334.445 2.849 40 0 EFABMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000096489779 473446766 /nfs/dbraw/zinc/44/67/66/473446766.db2.gz NPVZITLVKOFLNQ-ZDUSSCGKSA-N 1 1 334.445 2.849 40 0 EFABMO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@H+]1C1CC1 ZINC000096494730 473450712 /nfs/dbraw/zinc/45/07/12/473450712.db2.gz OJWDBIMJXXMDKB-ZYHUDNBSSA-N 1 1 341.377 2.871 40 0 EFABMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495820 473451104 /nfs/dbraw/zinc/45/11/04/473451104.db2.gz VXRDDNVUFZAAET-HNNXBMFYSA-N 1 1 341.459 2.566 40 0 EFABMO C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096500863 473453218 /nfs/dbraw/zinc/45/32/18/473453218.db2.gz CPOZXWSTQPAXDA-ATZDWAIDSA-N 1 1 345.487 2.631 40 0 EFABMO CS(=O)(=O)N(CC[N@@H+]1CCC[C@@H]1c1ccco1)Cc1ccccc1 ZINC000192028838 473610733 /nfs/dbraw/zinc/61/07/33/473610733.db2.gz FWHWFQYSXJFSQT-QGZVFWFLSA-N 1 1 348.468 2.878 40 0 EFABMO CS(=O)(=O)N(CC[N@H+]1CCC[C@@H]1c1ccco1)Cc1ccccc1 ZINC000192028838 473610737 /nfs/dbraw/zinc/61/07/37/473610737.db2.gz FWHWFQYSXJFSQT-QGZVFWFLSA-N 1 1 348.468 2.878 40 0 EFABMO CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000246124675 473785263 /nfs/dbraw/zinc/78/52/63/473785263.db2.gz YXZLIXJEDLBQLP-VQIMIIECSA-N 1 1 344.499 2.962 40 0 EFABMO Brc1ccc2[nH]c(C[N@H+]3CC[C@@]4(CCOC4)C3)nc2c1 ZINC000187154015 473828015 /nfs/dbraw/zinc/82/80/15/473828015.db2.gz NDJHHGKKXMZMCB-OAHLLOKOSA-N 1 1 336.233 2.938 40 0 EFABMO Brc1ccc2nc(C[N@@H+]3CC[C@@]4(CCOC4)C3)[nH]c2c1 ZINC000187154015 473828023 /nfs/dbraw/zinc/82/80/23/473828023.db2.gz NDJHHGKKXMZMCB-OAHLLOKOSA-N 1 1 336.233 2.938 40 0 EFABMO Brc1ccc2nc(C[N@H+]3CC[C@@]4(CCOC4)C3)[nH]c2c1 ZINC000187154015 473828028 /nfs/dbraw/zinc/82/80/28/473828028.db2.gz NDJHHGKKXMZMCB-OAHLLOKOSA-N 1 1 336.233 2.938 40 0 EFABMO CCOC[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000187691470 473905184 /nfs/dbraw/zinc/90/51/84/473905184.db2.gz PLGWSVIIVIIJBP-GJZGRUSLSA-N 1 1 325.474 2.900 40 0 EFABMO CCOC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000187691470 473905188 /nfs/dbraw/zinc/90/51/88/473905188.db2.gz PLGWSVIIVIIJBP-GJZGRUSLSA-N 1 1 325.474 2.900 40 0 EFABMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038500 /nfs/dbraw/zinc/03/85/00/474038500.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038506 /nfs/dbraw/zinc/03/85/06/474038506.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248706 474038515 /nfs/dbraw/zinc/03/85/15/474038515.db2.gz WBYZORUJUFCYPI-GJZGRUSLSA-N 1 1 331.489 2.756 40 0 EFABMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000195298477 474053582 /nfs/dbraw/zinc/05/35/82/474053582.db2.gz NLNMBJCSRMRDGL-HXUWFJFHSA-N 1 1 325.456 2.528 40 0 EFABMO COc1cc(OC)cc([C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)c1 ZINC000195536463 474090241 /nfs/dbraw/zinc/09/02/41/474090241.db2.gz QOPJUWQDWGQKGW-HNAYVOBHSA-N 1 1 340.423 2.720 40 0 EFABMO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)no1 ZINC000195539024 474091763 /nfs/dbraw/zinc/09/17/63/474091763.db2.gz NIQSTYVCHYHEIP-LSDHHAIUSA-N 1 1 347.415 2.883 40 0 EFABMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)no1 ZINC000195539024 474091768 /nfs/dbraw/zinc/09/17/68/474091768.db2.gz NIQSTYVCHYHEIP-LSDHHAIUSA-N 1 1 347.415 2.883 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545659 474093062 /nfs/dbraw/zinc/09/30/62/474093062.db2.gz AUJAZJPXEWMURD-VQHPVUNQSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545659 474093065 /nfs/dbraw/zinc/09/30/65/474093065.db2.gz AUJAZJPXEWMURD-VQHPVUNQSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@H]2OCC[N@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545663 474093285 /nfs/dbraw/zinc/09/32/85/474093285.db2.gz AUJAZJPXEWMURD-QBPKDAKJSA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@H]2OCC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)[C@@H]2C1 ZINC000195545663 474093292 /nfs/dbraw/zinc/09/32/92/474093292.db2.gz AUJAZJPXEWMURD-QBPKDAKJSA-N 1 1 325.836 2.642 40 0 EFABMO O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCC[N@H+]1CCC1OCCO1 ZINC000195565964 474097844 /nfs/dbraw/zinc/09/78/44/474097844.db2.gz FACFJIYHIULGGM-OAHLLOKOSA-N 1 1 340.370 2.521 40 0 EFABMO CCc1nsc(N2CCC[N@@H+](CCC(=O)c3ccccc3)CC2)n1 ZINC000182379145 474160570 /nfs/dbraw/zinc/16/05/70/474160570.db2.gz LHXDZDLGDCRHNZ-UHFFFAOYSA-N 1 1 344.484 2.886 40 0 EFABMO C[NH+]1CCN(c2ncc(NC(=O)CCC3CCCCC3)cn2)CC1 ZINC000224251149 474196810 /nfs/dbraw/zinc/19/68/10/474196810.db2.gz VLSGTAPVWDBHNX-UHFFFAOYSA-N 1 1 331.464 2.527 40 0 EFABMO CNC(=O)c1ccn([C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000275468120 474198016 /nfs/dbraw/zinc/19/80/16/474198016.db2.gz HPGSDKJGLAJKOT-LLVKDONJSA-N 1 1 338.864 2.795 40 0 EFABMO CNC(=O)c1ccn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000275468120 474198025 /nfs/dbraw/zinc/19/80/25/474198025.db2.gz HPGSDKJGLAJKOT-LLVKDONJSA-N 1 1 338.864 2.795 40 0 EFABMO CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000224680103 474199103 /nfs/dbraw/zinc/19/91/03/474199103.db2.gz AXFSFHONHUWIDA-IBGZPJMESA-N 1 1 348.443 2.719 40 0 EFABMO O=C(CCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCOCC1 ZINC000225335856 474208055 /nfs/dbraw/zinc/20/80/55/474208055.db2.gz STJDTJBKNUGSFS-UHFFFAOYSA-N 1 1 345.270 2.765 40 0 EFABMO CNC(=O)COc1ccccc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000225439340 474212351 /nfs/dbraw/zinc/21/23/51/474212351.db2.gz ULYRHXZYZQPSJD-MRXNPFEDSA-N 1 1 344.386 2.564 40 0 EFABMO COC(C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1)OC ZINC000225450790 474213617 /nfs/dbraw/zinc/21/36/17/474213617.db2.gz DPUKINGLQLEEPX-SFHVURJKSA-N 1 1 342.439 2.653 40 0 EFABMO c1c[nH]c(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC000247840115 474215735 /nfs/dbraw/zinc/21/57/35/474215735.db2.gz KOZPOQQUUSWWFA-FRFSOERESA-N 1 1 333.457 2.667 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)c1 ZINC000247840115 474215738 /nfs/dbraw/zinc/21/57/38/474215738.db2.gz KOZPOQQUUSWWFA-FRFSOERESA-N 1 1 333.457 2.667 40 0 EFABMO Cc1cccc(C[N@@H+]2CCO[C@@H]3[C@H](CNc4cccnc4)CC[C@@H]32)n1 ZINC000247856354 474216685 /nfs/dbraw/zinc/21/66/85/474216685.db2.gz CTHCQHOETHRXHR-FFZOFVMBSA-N 1 1 338.455 2.877 40 0 EFABMO Cc1cccc(C[N@H+]2CCO[C@@H]3[C@H](CNc4cccnc4)CC[C@@H]32)n1 ZINC000247856354 474216691 /nfs/dbraw/zinc/21/66/91/474216691.db2.gz CTHCQHOETHRXHR-FFZOFVMBSA-N 1 1 338.455 2.877 40 0 EFABMO CSc1cncc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000225513853 474219546 /nfs/dbraw/zinc/21/95/46/474219546.db2.gz OLYCYCLPMSHDAJ-INIZCTEOSA-N 1 1 344.484 2.767 40 0 EFABMO c1coc(C[N@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000247906547 474223324 /nfs/dbraw/zinc/22/33/24/474223324.db2.gz XFXMDVGHRVWYCK-WDSOQIARSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000247906547 474223332 /nfs/dbraw/zinc/22/33/32/474223332.db2.gz XFXMDVGHRVWYCK-WDSOQIARSA-N 1 1 328.412 2.871 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@@H]3OC[C@H](CCOc4ccccn4)[C@@H]3C2)n1 ZINC000247902891 474223987 /nfs/dbraw/zinc/22/39/87/474223987.db2.gz ZVWONCDHTHLGLS-WDSOQIARSA-N 1 1 339.439 2.701 40 0 EFABMO COc1cccc(NC(=O)NCCn2cc[nH+]c2C2CC2)c1OC ZINC000225567789 474225526 /nfs/dbraw/zinc/22/55/26/474225526.db2.gz GFFGAUSSXGACCO-UHFFFAOYSA-N 1 1 330.388 2.599 40 0 EFABMO CCOC(=O)c1sc(N2CCC[C@@H]2Cn2cc[nH+]c2C)nc1C ZINC000225596234 474228083 /nfs/dbraw/zinc/22/80/83/474228083.db2.gz MABMHSHUZZHFCY-CYBMUJFWSA-N 1 1 334.445 2.802 40 0 EFABMO O=C1[C@H]([NH2+]Cc2cncnc2)CCN1c1ccc(Cl)cc1Cl ZINC000225594043 474228097 /nfs/dbraw/zinc/22/80/97/474228097.db2.gz SVVNZTUCUCQCLL-CYBMUJFWSA-N 1 1 337.210 2.679 40 0 EFABMO CSC1(C(=O)Nc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)CC1 ZINC000225611807 474231125 /nfs/dbraw/zinc/23/11/25/474231125.db2.gz NXMCEZDVLKNYBW-UHFFFAOYSA-N 1 1 334.485 2.650 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCCOc2ccc(F)cc2)C1 ZINC000226170738 474240391 /nfs/dbraw/zinc/24/03/91/474240391.db2.gz VFTHHKBDAZXHKY-HLLBOEOZSA-N 1 1 325.424 2.560 40 0 EFABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)N1Cc1ccncc1 ZINC000248009402 474244968 /nfs/dbraw/zinc/24/49/68/474244968.db2.gz VACUGAAEJKRQMW-IAGOWNOFSA-N 1 1 327.453 2.909 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000248025234 474247221 /nfs/dbraw/zinc/24/72/21/474247221.db2.gz JILHQMTWRIDWPC-XFQXTVEOSA-N 1 1 341.455 2.548 40 0 EFABMO C[N@@H+](C[C@H]1CO[C@]2(C1)CCCN(Cc1ccncc1F)C2)C1CC1 ZINC000248074195 474256317 /nfs/dbraw/zinc/25/63/17/474256317.db2.gz TVWAYTZYFNSRCF-KXBFYZLASA-N 1 1 333.451 2.686 40 0 EFABMO O[C@H](C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1)C(F)(F)F ZINC000248392946 474304185 /nfs/dbraw/zinc/30/41/85/474304185.db2.gz LHROOZIYABIULX-QWHCGFSZSA-N 1 1 340.349 2.574 40 0 EFABMO O[C@H](C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)C(F)(F)F ZINC000248392945 474304442 /nfs/dbraw/zinc/30/44/42/474304442.db2.gz LHROOZIYABIULX-CHWSQXEVSA-N 1 1 340.349 2.574 40 0 EFABMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000248711255 474411335 /nfs/dbraw/zinc/41/13/35/474411335.db2.gz COWPMABXBYXKIK-IPMKNSEASA-N 1 1 327.472 2.950 40 0 EFABMO COC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000248734249 474418196 /nfs/dbraw/zinc/41/81/96/474418196.db2.gz NAKSYSRMAGIPPI-JKSUJKDBSA-N 1 1 337.851 2.517 40 0 EFABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000248950022 474488400 /nfs/dbraw/zinc/48/84/00/474488400.db2.gz DYTBBKBSDBXCNU-NVXWUHKLSA-N 1 1 332.444 2.976 40 0 EFABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000248950026 474489134 /nfs/dbraw/zinc/48/91/34/474489134.db2.gz DYTBBKBSDBXCNU-WBVHZDCISA-N 1 1 332.444 2.976 40 0 EFABMO Cn1cc(-c2cc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccco3)on2)cn1 ZINC000249001109 474502800 /nfs/dbraw/zinc/50/28/00/474502800.db2.gz MZIYYOPIOIVPCF-WMLDXEAASA-N 1 1 342.399 2.756 40 0 EFABMO CC[C@]1(C)CN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000249055059 474513899 /nfs/dbraw/zinc/51/38/99/474513899.db2.gz GRASBDFWZKUIFY-JTDSTZFVSA-N 1 1 337.508 2.850 40 0 EFABMO O=S(=O)(c1ccccc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238871976 474543152 /nfs/dbraw/zinc/54/31/52/474543152.db2.gz NCZBKZWCVWHCQF-GOSISDBHSA-N 1 1 342.464 2.508 40 0 EFABMO O=S(=O)(c1ccccc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238871976 474543162 /nfs/dbraw/zinc/54/31/62/474543162.db2.gz NCZBKZWCVWHCQF-GOSISDBHSA-N 1 1 342.464 2.508 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC[C@@H]1CCOC1=O ZINC000249301657 474555568 /nfs/dbraw/zinc/55/55/68/474555568.db2.gz NSUPBLUQZXBJMS-JFRXWTBNSA-N 1 1 330.472 2.686 40 0 EFABMO COC(=O)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC000245265753 474572600 /nfs/dbraw/zinc/57/26/00/474572600.db2.gz HRPBXLQVYZVWKH-AEFFLSMTSA-N 1 1 344.455 2.602 40 0 EFABMO CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339021 474574720 /nfs/dbraw/zinc/57/47/20/474574720.db2.gz PZFORTKNLNTSBE-GDBMZVCRSA-N 1 1 334.370 2.642 40 0 EFABMO CC(C)[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339021 474574723 /nfs/dbraw/zinc/57/47/23/474574723.db2.gz PZFORTKNLNTSBE-GDBMZVCRSA-N 1 1 334.370 2.642 40 0 EFABMO C[C@H](NC(=O)CC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000245339103 474574885 /nfs/dbraw/zinc/57/48/85/474574885.db2.gz QLPDOFARRJGHJC-IAAVTCLWSA-N 1 1 330.472 2.999 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1cccnc1 ZINC000245339074 474574959 /nfs/dbraw/zinc/57/49/59/474574959.db2.gz QHPXNKXRGHIMAE-XANICSHESA-N 1 1 336.439 2.517 40 0 EFABMO Cc1cccc(N2CCC(NC(=O)CCCc3nccs3)CC2)[nH+]1 ZINC000252489688 474675059 /nfs/dbraw/zinc/67/50/59/474675059.db2.gz JWXAEZIFBKVMFO-UHFFFAOYSA-N 1 1 344.484 2.954 40 0 EFABMO CC(C)[N@@H+](CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252518006 474693092 /nfs/dbraw/zinc/69/30/92/474693092.db2.gz XBJQBZOXZFLQJW-IYARVYRRSA-N 1 1 334.460 2.927 40 0 EFABMO c1nc2n(n1)CCC[C@@H]2N[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000252584998 474698332 /nfs/dbraw/zinc/69/83/32/474698332.db2.gz FLESUZALCHSUTR-RDGPPVDQSA-N 1 1 337.471 2.613 40 0 EFABMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H](O)C(F)(F)F ZINC000252585082 474699921 /nfs/dbraw/zinc/69/99/21/474699921.db2.gz FXWDRVDOODGFDE-LQKXBSAESA-N 1 1 330.394 2.656 40 0 EFABMO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000253397372 474738094 /nfs/dbraw/zinc/73/80/94/474738094.db2.gz WTLMDSPZLGGBMP-RHSMWYFYSA-N 1 1 331.460 2.901 40 0 EFABMO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]1C(N)=O ZINC000253397372 474738099 /nfs/dbraw/zinc/73/80/99/474738099.db2.gz WTLMDSPZLGGBMP-RHSMWYFYSA-N 1 1 331.460 2.901 40 0 EFABMO CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000253417108 474743110 /nfs/dbraw/zinc/74/31/10/474743110.db2.gz RFPFHASDVDPAOT-AWEZNQCLSA-N 1 1 332.835 2.733 40 0 EFABMO CSc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000253418385 474744100 /nfs/dbraw/zinc/74/41/00/474744100.db2.gz QEJUYKWQNZETNN-UONOGXRCSA-N 1 1 337.489 2.636 40 0 EFABMO Cc1nc(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n(C)n1 ZINC000253418870 474745778 /nfs/dbraw/zinc/74/57/78/474745778.db2.gz BXBCEWFQPPOJGB-AWEZNQCLSA-N 1 1 342.447 2.569 40 0 EFABMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCc2cccc(C)n2)C1 ZINC000253419910 474747761 /nfs/dbraw/zinc/74/77/61/474747761.db2.gz DICHZVCPRUJTCF-QGZVFWFLSA-N 1 1 341.459 2.738 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1 ZINC000253419944 474747856 /nfs/dbraw/zinc/74/78/56/474747856.db2.gz SYWVYLUYTKRSJE-SKDRFNHKSA-N 1 1 335.395 2.731 40 0 EFABMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2ncnn2C(C)C)C1 ZINC000253433413 474757915 /nfs/dbraw/zinc/75/79/15/474757915.db2.gz WPIPQWWGVTWTLF-DLBZAZTESA-N 1 1 342.443 2.638 40 0 EFABMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000253433413 474757923 /nfs/dbraw/zinc/75/79/23/474757923.db2.gz WPIPQWWGVTWTLF-DLBZAZTESA-N 1 1 342.443 2.638 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2N1CC1CC1 ZINC000306123871 474806263 /nfs/dbraw/zinc/80/62/63/474806263.db2.gz AZGIQLPHIQRAHG-OALUTQOASA-N 1 1 339.414 2.919 40 0 EFABMO COC[C@@H]1CC[N@@H+](C)C2(CN(Cc3ccc4ccccc4n3)C2)C1 ZINC000306127867 474806822 /nfs/dbraw/zinc/80/68/22/474806822.db2.gz GJNUMUMHJUZHRV-MRXNPFEDSA-N 1 1 325.456 2.777 40 0 EFABMO COC[C@@H]1CC[N@@H+](CC2CC2)C2(CN(Cc3scnc3C)C2)C1 ZINC000306126093 474807162 /nfs/dbraw/zinc/80/71/62/474807162.db2.gz DMLJBSBXGPOWTE-MRXNPFEDSA-N 1 1 335.517 2.774 40 0 EFABMO CCOC[C@@H]1CC[N@H+](C)C2(CN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000306135423 474809074 /nfs/dbraw/zinc/80/90/74/474809074.db2.gz OQFZADKNUJASKD-CQSZACIVSA-N 1 1 348.512 2.810 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000306135423 474809081 /nfs/dbraw/zinc/80/90/81/474809081.db2.gz OQFZADKNUJASKD-CQSZACIVSA-N 1 1 348.512 2.810 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131441 474809254 /nfs/dbraw/zinc/80/92/54/474809254.db2.gz KELMZXSFABIMMJ-OALUTQOASA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]2N1Cc1ccccn1 ZINC000306131441 474809260 /nfs/dbraw/zinc/80/92/60/474809260.db2.gz KELMZXSFABIMMJ-OALUTQOASA-N 1 1 348.406 2.558 40 0 EFABMO Cc1ccc(C)c(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)CC4CC4)[C@H]3C2)c1 ZINC000306135115 474809869 /nfs/dbraw/zinc/80/98/69/474809869.db2.gz OIGIICYRKHRWGT-XUVXKRRUSA-N 1 1 342.483 2.667 40 0 EFABMO c1cc(N2CCCC2)cn2nc([C@H]3CCC[N@H+](CC4CC4)C3)nc12 ZINC000306133087 474810771 /nfs/dbraw/zinc/81/07/71/474810771.db2.gz MBKOFMLBRMRHPG-INIZCTEOSA-N 1 1 325.460 2.919 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3cccs3)C[C@H]2N1CC1CC1 ZINC000306140034 474811014 /nfs/dbraw/zinc/81/10/14/474811014.db2.gz UHVYQMBEKMMEIJ-IAGOWNOFSA-N 1 1 327.453 2.841 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC000306144021 474811538 /nfs/dbraw/zinc/81/15/38/474811538.db2.gz YTRBCRPFFBXICA-SQWLQELKSA-N 1 1 346.452 2.526 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144459 474812032 /nfs/dbraw/zinc/81/20/32/474812032.db2.gz ZFYUASLYBDVJTO-SJLPKXTDSA-N 1 1 333.439 2.588 40 0 EFABMO COCCN1C(=O)CCC[C@H]2C[N@H+](CCc3ccccc3)CC[C@H]21 ZINC000257243992 474927635 /nfs/dbraw/zinc/92/76/35/474927635.db2.gz IJLGFIGLDLZOOS-RBUKOAKNSA-N 1 1 330.472 2.579 40 0 EFABMO CC(C)[N@H+]1CCC[C@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257269923 474927995 /nfs/dbraw/zinc/92/79/95/474927995.db2.gz MRZIUOULQPZQQY-HNNXBMFYSA-N 1 1 346.431 2.528 40 0 EFABMO Cc1n[nH]cc1CN1CC[N@H+](C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257271554 474928107 /nfs/dbraw/zinc/92/81/07/474928107.db2.gz MYUHBMWESXGPLZ-KRWDZBQOSA-N 1 1 349.482 2.873 40 0 EFABMO Cc1n[nH]cc1C[N@H+]1CCN(C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257271554 474928109 /nfs/dbraw/zinc/92/81/09/474928109.db2.gz MYUHBMWESXGPLZ-KRWDZBQOSA-N 1 1 349.482 2.873 40 0 EFABMO Cc1n[nH]cc1C[N@@H+]1CCN(C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257271554 474928111 /nfs/dbraw/zinc/92/81/11/474928111.db2.gz MYUHBMWESXGPLZ-KRWDZBQOSA-N 1 1 349.482 2.873 40 0 EFABMO Cn1cc(C(=O)N2CCCC[C@H]3[C@@H]2[C@H](c2ccccc2)C[N@H+]3C)cn1 ZINC000257236586 474928296 /nfs/dbraw/zinc/92/82/96/474928296.db2.gz HCWDWHVYKBAVFQ-FHWLQOOXSA-N 1 1 338.455 2.513 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](Cc2ccc(C)nc2)C1 ZINC000257281303 474929000 /nfs/dbraw/zinc/92/90/00/474929000.db2.gz OONUPSVZGHLZAU-KRWDZBQOSA-N 1 1 326.444 2.630 40 0 EFABMO Cn1cnc(C[N@@H+]2CCOC[C@H](Cc3cccc4occc43)C2)c1 ZINC000257281283 474929444 /nfs/dbraw/zinc/92/94/44/474929444.db2.gz OOKMCENYWDVONK-OAHLLOKOSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1cnc(C[N@H+]2CCOC[C@H](Cc3cccc4occc43)C2)c1 ZINC000257281283 474929453 /nfs/dbraw/zinc/92/94/53/474929453.db2.gz OOKMCENYWDVONK-OAHLLOKOSA-N 1 1 325.412 2.857 40 0 EFABMO Fc1cccnc1C[N@@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257286615 474931671 /nfs/dbraw/zinc/93/16/71/474931671.db2.gz PMFWNDMAMHQPLS-HNNXBMFYSA-N 1 1 340.402 2.560 40 0 EFABMO Fc1cccnc1C[N@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257286615 474931674 /nfs/dbraw/zinc/93/16/74/474931674.db2.gz PMFWNDMAMHQPLS-HNNXBMFYSA-N 1 1 340.402 2.560 40 0 EFABMO Cc1ccc(CN2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cn1 ZINC000257284623 474932840 /nfs/dbraw/zinc/93/28/40/474932840.db2.gz PDNMOHZSANYRAP-LJQANCHMSA-N 1 1 326.444 2.733 40 0 EFABMO CC(C)c1nnc(CCC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000257288312 474935450 /nfs/dbraw/zinc/93/54/50/474935450.db2.gz PTSLSVNCAZHJHB-MRXNPFEDSA-N 1 1 342.443 2.641 40 0 EFABMO CC(C)c1nnc(CCC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)o1 ZINC000257288312 474935459 /nfs/dbraw/zinc/93/54/59/474935459.db2.gz PTSLSVNCAZHJHB-MRXNPFEDSA-N 1 1 342.443 2.641 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc4c(N)nn(C)c4n3)C2)cs1 ZINC000257293357 474936266 /nfs/dbraw/zinc/93/62/66/474936266.db2.gz QPDDPQXVDBACEY-LBPRGKRZSA-N 1 1 342.472 2.695 40 0 EFABMO c1c[nH]c(-c2cc(C[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257292073 474937000 /nfs/dbraw/zinc/93/70/00/474937000.db2.gz QJWMOYKQCSUPSS-HNNXBMFYSA-N 1 1 334.427 2.716 40 0 EFABMO Cc1c[nH]c(-c2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000257296800 474938607 /nfs/dbraw/zinc/93/86/07/474938607.db2.gz RELVKPPAVWKCKC-INIZCTEOSA-N 1 1 334.427 2.950 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2cnn(C(C)C)c2)C1 ZINC000257300263 474940352 /nfs/dbraw/zinc/94/03/52/474940352.db2.gz RTRBEEPKGQOSOK-OAHLLOKOSA-N 1 1 329.448 2.747 40 0 EFABMO Cn1cncc1-c1nccnc1[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257298612 474941261 /nfs/dbraw/zinc/94/12/61/474941261.db2.gz RMMSYZVHKIMYHZ-ZDUSSCGKSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1cncc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257298612 474941270 /nfs/dbraw/zinc/94/12/70/474941270.db2.gz RMMSYZVHKIMYHZ-ZDUSSCGKSA-N 1 1 340.456 2.713 40 0 EFABMO Cc1ccsc1C[N@H+]1CCC[C@H](Cc2cc(C(N)=O)nc(C)n2)C1 ZINC000257300583 474941611 /nfs/dbraw/zinc/94/16/11/474941611.db2.gz RUWNWALRKTVCOQ-CQSZACIVSA-N 1 1 344.484 2.709 40 0 EFABMO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3cccs3)CCN2C)c1 ZINC000257308432 474944699 /nfs/dbraw/zinc/94/46/99/474944699.db2.gz TWRHOWWEVHLUFO-QGZVFWFLSA-N 1 1 329.469 2.596 40 0 EFABMO CC(C)[N@@H+](Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000257308699 474945714 /nfs/dbraw/zinc/94/57/14/474945714.db2.gz TXTIUAFZFSIYCJ-IAGOWNOFSA-N 1 1 334.460 2.877 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257306725 474945879 /nfs/dbraw/zinc/94/58/79/474945879.db2.gz SVNOSGJMHUTWLA-OAHLLOKOSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1ccnc1C[N@H+]1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257306725 474945889 /nfs/dbraw/zinc/94/58/89/474945889.db2.gz SVNOSGJMHUTWLA-OAHLLOKOSA-N 1 1 325.412 2.857 40 0 EFABMO CCCc1cc(C(=O)N2CCCC[C@@H]3[N@@H+](C)CCC[C@@]32C)n(C)n1 ZINC000257312802 474946760 /nfs/dbraw/zinc/94/67/60/474946760.db2.gz UPNZSCZRIDKONG-HKUYNNGSSA-N 1 1 332.492 2.852 40 0 EFABMO Cn1cncc1C[N@H+]1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1 ZINC000257312735 474947457 /nfs/dbraw/zinc/94/74/57/474947457.db2.gz UPHZSWLNKRKJOV-ICSRJNTNSA-N 1 1 338.455 2.576 40 0 EFABMO C[N@@H+](CCC(=O)N1CCC[C@@H](c2nccs2)C1)Cc1cccnc1 ZINC000257323281 474952734 /nfs/dbraw/zinc/95/27/34/474952734.db2.gz WJMIKVOOGZUDCY-MRXNPFEDSA-N 1 1 344.484 2.766 40 0 EFABMO C[N@@H+]1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)c1c[nH]c(=O)[nH]1 ZINC000257323913 474953614 /nfs/dbraw/zinc/95/36/14/474953614.db2.gz WMJBGMUKXVUQMF-YESZJQIVSA-N 1 1 340.427 2.555 40 0 EFABMO C[N@H+]1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)C1=NC(=O)NC1 ZINC000257323913 474953618 /nfs/dbraw/zinc/95/36/18/474953618.db2.gz WMJBGMUKXVUQMF-YESZJQIVSA-N 1 1 340.427 2.555 40 0 EFABMO C[N@@H+]1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C(=O)C1=NC(=O)NC1 ZINC000257323913 474953626 /nfs/dbraw/zinc/95/36/26/474953626.db2.gz WMJBGMUKXVUQMF-YESZJQIVSA-N 1 1 340.427 2.555 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1CCc1ccnc(C)c1 ZINC000257326575 474956051 /nfs/dbraw/zinc/95/60/51/474956051.db2.gz WXRZGNKMKVQONT-QGZVFWFLSA-N 1 1 326.444 2.773 40 0 EFABMO Cc1nn(C)c2nc([C@H]3CCC[N@@H+](Cc4ccnc(C)n4)C3)ccc12 ZINC000257326536 474956250 /nfs/dbraw/zinc/95/62/50/474956250.db2.gz WXOSVRMLWTVUOO-HNNXBMFYSA-N 1 1 336.443 2.755 40 0 EFABMO CNC(=O)CCc1cc(C)nc([C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000257333230 474959366 /nfs/dbraw/zinc/95/93/66/474959366.db2.gz YASVVIHDRVXMNH-QGZVFWFLSA-N 1 1 330.476 2.933 40 0 EFABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c(C)n1 ZINC000257336973 474960542 /nfs/dbraw/zinc/96/05/42/474960542.db2.gz YQVYLDNDBOTYGT-LJQANCHMSA-N 1 1 341.459 2.580 40 0 EFABMO Cc1nc(C[NH+]2CCC3(CO[C@H](Cc4cnccn4)C3)CC2)cs1 ZINC000257335535 474960930 /nfs/dbraw/zinc/96/09/30/474960930.db2.gz YKPHNWPXOQPOSD-QGZVFWFLSA-N 1 1 344.484 2.855 40 0 EFABMO O=c1cc(C[C@@H]2COCC[N@H+](Cc3ccccc3Cl)C2)nc[nH]1 ZINC000257340397 474963069 /nfs/dbraw/zinc/96/30/69/474963069.db2.gz ZFWFBQTYHJTUJA-ZDUSSCGKSA-N 1 1 333.819 2.527 40 0 EFABMO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)c2ccsc2)n1 ZINC000257340327 474963794 /nfs/dbraw/zinc/96/37/94/474963794.db2.gz ZFNKLVZROZOICQ-OAHLLOKOSA-N 1 1 330.457 2.885 40 0 EFABMO COc1ccccc1C[N@H+]1CCC2(CC(N(C)c3ccncn3)C2)C1 ZINC000257340944 474963995 /nfs/dbraw/zinc/96/39/95/474963995.db2.gz ZIFUHIJKRJKXQI-UHFFFAOYSA-N 1 1 338.455 2.976 40 0 EFABMO Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000332826291 475755816 /nfs/dbraw/zinc/75/58/16/475755816.db2.gz KPBBQIVUOKHPGT-DOTOQJQBSA-N 1 1 348.397 2.950 40 0 EFABMO Cc1ncc(C(=O)N[C@H]2CC[N@H+](C(C)C)[C@@H]2c2ccc(F)c(F)c2)[nH]1 ZINC000332826291 475755824 /nfs/dbraw/zinc/75/58/24/475755824.db2.gz KPBBQIVUOKHPGT-DOTOQJQBSA-N 1 1 348.397 2.950 40 0 EFABMO O=C(c1cc(C2CCCCC2)n[nH]1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000333327628 475905204 /nfs/dbraw/zinc/90/52/04/475905204.db2.gz VOUKLVXDHHMLOA-SFHVURJKSA-N 1 1 339.443 2.639 40 0 EFABMO NC(=O)C[N@@H+]1CCc2ccc(NCc3sccc3Cl)cc2C1 ZINC000390835267 476806211 /nfs/dbraw/zinc/80/62/11/476806211.db2.gz IHXHCPQJOFHERK-UHFFFAOYSA-N 1 1 335.860 2.857 40 0 EFABMO NC(=O)C[N@H+]1CCc2ccc(NCc3sccc3Cl)cc2C1 ZINC000390835267 476806218 /nfs/dbraw/zinc/80/62/18/476806218.db2.gz IHXHCPQJOFHERK-UHFFFAOYSA-N 1 1 335.860 2.857 40 0 EFABMO CC(C)(C)n1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cn1 ZINC000449418434 477563826 /nfs/dbraw/zinc/56/38/26/477563826.db2.gz CWKJJEWQNUCWET-HKUYNNGSSA-N 1 1 331.435 2.938 40 0 EFABMO CC(C)(C)n1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cn1 ZINC000449418434 477563830 /nfs/dbraw/zinc/56/38/30/477563830.db2.gz CWKJJEWQNUCWET-HKUYNNGSSA-N 1 1 331.435 2.938 40 0 EFABMO COCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000592094923 478770466 /nfs/dbraw/zinc/77/04/66/478770466.db2.gz WDUREMQARLHMFH-CQSZACIVSA-N 1 1 338.879 2.845 40 0 EFABMO COCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000592094922 478771712 /nfs/dbraw/zinc/77/17/12/478771712.db2.gz WDUREMQARLHMFH-AWEZNQCLSA-N 1 1 338.879 2.845 40 0 EFABMO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000514290359 479023146 /nfs/dbraw/zinc/02/31/46/479023146.db2.gz YONJVGQGYOSNAQ-QUCCMNQESA-N 1 1 336.435 2.837 40 0 biogenic,in-vitro EFABMO CCOCc1nnc2n1CC[N@H+](Cc1cccc3[nH]ccc31)[C@H](C)C2 ZINC000585097116 479280891 /nfs/dbraw/zinc/28/08/91/479280891.db2.gz FWJUPKYYTLYILF-CQSZACIVSA-N 1 1 339.443 2.743 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@@H+](CC2CCC2)[C@H]3C)cn1 ZINC000585097778 479281066 /nfs/dbraw/zinc/28/10/66/479281066.db2.gz PQKMRBMYFSEMAL-AWEZNQCLSA-N 1 1 327.432 2.737 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@H+](CC2CCC2)[C@H]3C)cn1 ZINC000585097778 479281072 /nfs/dbraw/zinc/28/10/72/479281072.db2.gz PQKMRBMYFSEMAL-AWEZNQCLSA-N 1 1 327.432 2.737 40 0 EFABMO C[C@H]1c2nnc(COc3ncccc3F)n2CC[N@H+]1CC1CCC1 ZINC000585097637 479281652 /nfs/dbraw/zinc/28/16/52/479281652.db2.gz OLCNUIBKBWUSFP-LBPRGKRZSA-N 1 1 331.395 2.568 40 0 EFABMO C[C@H]1c2nnc(COc3ncccc3F)n2CC[N@@H+]1CC1CCC1 ZINC000585097637 479281659 /nfs/dbraw/zinc/28/16/59/479281659.db2.gz OLCNUIBKBWUSFP-LBPRGKRZSA-N 1 1 331.395 2.568 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@@H+](CC2CCC2)[C@@H]3C)cn1 ZINC000585097779 479281708 /nfs/dbraw/zinc/28/17/08/479281708.db2.gz PQKMRBMYFSEMAL-CQSZACIVSA-N 1 1 327.432 2.737 40 0 EFABMO Cc1ccc(OCc2nnc3n2CC[N@H+](CC2CCC2)[C@@H]3C)cn1 ZINC000585097779 479281717 /nfs/dbraw/zinc/28/17/17/479281717.db2.gz PQKMRBMYFSEMAL-CQSZACIVSA-N 1 1 327.432 2.737 40 0 EFABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1cc(Cl)ccc1F)C2 ZINC000585102025 479282448 /nfs/dbraw/zinc/28/24/48/479282448.db2.gz OBCYPYPHBJERHZ-QGZVFWFLSA-N 1 1 340.826 2.806 40 0 EFABMO Cc1ncc(C[N@@H+]2CC[C@]23CCCN(C(=O)C2(F)CCC2)C3)s1 ZINC000585102287 479283194 /nfs/dbraw/zinc/28/31/94/479283194.db2.gz WFNYUCDZPCIZOP-INIZCTEOSA-N 1 1 337.464 2.911 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@]23CCCN(C(=O)C2(F)CCC2)C3)s1 ZINC000585102287 479283204 /nfs/dbraw/zinc/28/32/04/479283204.db2.gz WFNYUCDZPCIZOP-INIZCTEOSA-N 1 1 337.464 2.911 40 0 EFABMO CNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2cccc3[nH]ccc32)C1 ZINC000585099091 479283481 /nfs/dbraw/zinc/28/34/81/479283481.db2.gz KUNVHXHYNQETFI-HNNXBMFYSA-N 1 1 336.439 2.738 40 0 EFABMO CNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000585099091 479283485 /nfs/dbraw/zinc/28/34/85/479283485.db2.gz KUNVHXHYNQETFI-HNNXBMFYSA-N 1 1 336.439 2.738 40 0 EFABMO CC[N@@H+](C)C[C@@H]1CC2(CO1)CCN(C(=O)c1cc(C)ccc1O)CC2 ZINC000585103003 479283949 /nfs/dbraw/zinc/28/39/49/479283949.db2.gz BAJJCAHTEODVBK-INIZCTEOSA-N 1 1 346.471 2.664 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1CC1CC1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103414 479284676 /nfs/dbraw/zinc/28/46/76/479284676.db2.gz FKAOEVBLBSWVAC-MRXNPFEDSA-N 1 1 338.467 2.618 40 0 EFABMO CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000585103370 479284819 /nfs/dbraw/zinc/28/48/19/479284819.db2.gz BNOBZJBICFFFTM-IBGZPJMESA-N 1 1 334.435 2.533 40 0 EFABMO Cc1cc(C[NH+]2CCC3(CC(NC(=O)OCC(C)C)C3)CC2)n[nH]1 ZINC000585102920 479284983 /nfs/dbraw/zinc/28/49/83/479284983.db2.gz ILHHJKWCLNZYEW-UHFFFAOYSA-N 1 1 334.464 2.845 40 0 EFABMO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC000585104324 479286119 /nfs/dbraw/zinc/28/61/19/479286119.db2.gz YTCMXLBXGUAKQO-SFHVURJKSA-N 1 1 332.488 2.550 40 0 EFABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109713 479287151 /nfs/dbraw/zinc/28/71/51/479287151.db2.gz KSKOIKORKLAKAI-IRFCIJBXSA-N 1 1 336.435 2.720 40 0 EFABMO CC(C)S(=O)(=O)N1CC[C@@H]2[C@@H](C[N@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107977 479287373 /nfs/dbraw/zinc/28/73/73/479287373.db2.gz PQIXQZHXEFKYGD-BPQIPLTHSA-N 1 1 336.501 2.534 40 0 EFABMO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)no1 ZINC000585109815 479287687 /nfs/dbraw/zinc/28/76/87/479287687.db2.gz WTFCZNXSJSRJSV-JENIJYKNSA-N 1 1 337.423 2.893 40 0 EFABMO C[N@H+](Cc1ccc(OCCF)cc1)C[C@@H](O)COc1ccccc1 ZINC000585270302 479303420 /nfs/dbraw/zinc/30/34/20/479303420.db2.gz TZOQMHRKVDTDIY-QGZVFWFLSA-N 1 1 333.403 2.907 40 0 EFABMO CO[C@H]1CCC[N@@H+](Cc2ccc(C)nc2)[C@H]1CCC(=O)N1CCCC1 ZINC000585269361 479304144 /nfs/dbraw/zinc/30/41/44/479304144.db2.gz QJHBYAVSDSDCPM-OALUTQOASA-N 1 1 345.487 2.772 40 0 EFABMO CO[C@@]1(COc2ccc(C)cc2)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585276498 479305587 /nfs/dbraw/zinc/30/55/87/479305587.db2.gz KIQAAZLZYPGTJH-IBGZPJMESA-N 1 1 327.428 2.763 40 0 EFABMO CCn1cncc1C[N@@H+]1CCC[C@](O)(COc2ccccc2C)C1 ZINC000585276296 479305854 /nfs/dbraw/zinc/30/58/54/479305854.db2.gz HWAGODSHADLASQ-LJQANCHMSA-N 1 1 329.444 2.617 40 0 EFABMO CCn1cncc1C[N@H+]1CCC[C@](O)(COc2ccccc2C)C1 ZINC000585276296 479305860 /nfs/dbraw/zinc/30/58/60/479305860.db2.gz HWAGODSHADLASQ-LJQANCHMSA-N 1 1 329.444 2.617 40 0 EFABMO CO[C@@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585275910 479306409 /nfs/dbraw/zinc/30/64/09/479306409.db2.gz GNIFHJCDTIXCIC-SFHVURJKSA-N 1 1 333.407 2.836 40 0 EFABMO O[C@]1(COc2ccc(F)cc2)COCC[N@@H+](CC2CCCCC2)C1 ZINC000585278117 479307573 /nfs/dbraw/zinc/30/75/73/479307573.db2.gz ZTHWUOSASOCELS-IBGZPJMESA-N 1 1 337.435 2.848 40 0 EFABMO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@H+](C2CCCC2)C1 ZINC000585281712 479308384 /nfs/dbraw/zinc/30/83/84/479308384.db2.gz PXLYQPGBIIFAGK-QGZVFWFLSA-N 1 1 325.836 2.725 40 0 EFABMO C[N@H+]1CCC[C@H](NC(=O)Cc2cccnc2)[C@@H]1Cc1cccc(F)c1 ZINC000585281107 479308723 /nfs/dbraw/zinc/30/87/23/479308723.db2.gz TUOHQMAJRFYPFQ-OALUTQOASA-N 1 1 341.430 2.585 40 0 EFABMO C[C@]1(C(N)=O)CCC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585282272 479308740 /nfs/dbraw/zinc/30/87/40/479308740.db2.gz COFJVRHHJKXIDU-YSIASYRMSA-N 1 1 330.472 2.663 40 0 EFABMO CN(C)CCC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585289370 479309692 /nfs/dbraw/zinc/30/96/92/479309692.db2.gz ILSXUESKZVBWGB-GVDBMIGSSA-N 1 1 326.868 2.542 40 0 EFABMO CC[NH+](CC)CCCN[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289695 479310401 /nfs/dbraw/zinc/31/04/01/479310401.db2.gz VHRRAOFJJOABMF-XUVXKRRUSA-N 1 1 334.504 2.977 40 0 EFABMO Cc1cnccc1C[N@@H+]1CCC[C@]12CC(C)(C)O[C@H]2CC(=O)N(C)C ZINC000585290565 479310502 /nfs/dbraw/zinc/31/05/02/479310502.db2.gz FKWFFQZXAJLYTR-FXAWDEMLSA-N 1 1 345.487 2.770 40 0 EFABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2Cl)[C@H](CO)[C@@H]1O ZINC000585293818 479310595 /nfs/dbraw/zinc/31/05/95/479310595.db2.gz AQDFDLOIFHJLHW-BHIYHBOVSA-N 1 1 331.843 2.970 40 0 EFABMO OCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289580 479310797 /nfs/dbraw/zinc/31/07/97/479310797.db2.gz RVFUQJMOVGOAAS-PWRODBHTSA-N 1 1 341.451 2.842 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000059349648 521114536 /nfs/dbraw/zinc/11/45/36/521114536.db2.gz RMGRWRDROWOOIQ-CQSZACIVSA-N 1 1 328.412 2.934 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000059349648 521114544 /nfs/dbraw/zinc/11/45/44/521114544.db2.gz RMGRWRDROWOOIQ-CQSZACIVSA-N 1 1 328.412 2.934 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000059349651 521298907 /nfs/dbraw/zinc/29/89/07/521298907.db2.gz RMGRWRDROWOOIQ-AWEZNQCLSA-N 1 1 328.412 2.934 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000059349651 521298917 /nfs/dbraw/zinc/29/89/17/521298917.db2.gz RMGRWRDROWOOIQ-AWEZNQCLSA-N 1 1 328.412 2.934 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@H]2Cn2nnc(-c3ccccn3)n2)cc1 ZINC000012142295 526332944 /nfs/dbraw/zinc/33/29/44/526332944.db2.gz JWBARSYVGIUVHM-INIZCTEOSA-N 1 1 338.390 2.539 40 0 EFABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257268619 536059228 /nfs/dbraw/zinc/05/92/28/536059228.db2.gz MMLXWCMMBUCBGU-VYENPZKTSA-N 1 1 336.439 2.915 40 0 EFABMO CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3ccccc3C3CC3)C2)n1 ZINC000584908790 564133942 /nfs/dbraw/zinc/13/39/42/564133942.db2.gz HKJKVAJBHYEEJV-KRWDZBQOSA-N 1 1 338.455 2.957 40 0 EFABMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000146230952 1296574552 /nfs/dbraw/zinc/57/45/52/1296574552.db2.gz FPLKLNINPXCYAO-HXUWFJFHSA-N 1 1 338.451 2.936 40 0 EFABMO CC(C)C(=O)N1CCC([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000675020055 1099654274 /nfs/dbraw/zinc/65/42/74/1099654274.db2.gz APVAUJHKOHDSLF-PMACEKPBSA-N 1 1 344.499 2.622 40 0 EFABMO CNC(=O)C[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000191516261 529862383 /nfs/dbraw/zinc/86/23/83/529862383.db2.gz SXUFSBBUWALPKT-UHFFFAOYSA-N 1 1 345.468 2.744 40 0 EFABMO Cc1ccsc1C[N@H+]1CCc2nc(-c3ccncc3)[nH]c(=O)c2C1 ZINC000019238700 202000813 /nfs/dbraw/zinc/00/08/13/202000813.db2.gz GGQCXCPAXSMZNC-UHFFFAOYSA-N 1 1 338.436 2.760 40 0 EFABMO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000019286433 202002529 /nfs/dbraw/zinc/00/25/29/202002529.db2.gz GUIWDBMAPHYEOJ-UHFFFAOYSA-N 1 1 337.345 2.698 40 0 EFABMO COc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019291411 202002745 /nfs/dbraw/zinc/00/27/45/202002745.db2.gz ZVCNAGBJLHKQED-XEWABKELSA-N 1 1 341.455 2.548 40 0 EFABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2cccnc2)nc(-c2cccnc2)[nH]1 ZINC000019339144 202005820 /nfs/dbraw/zinc/00/58/20/202005820.db2.gz ZDVJAZFDRIBSIS-SFHVURJKSA-N 1 1 347.422 2.954 40 0 EFABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2cccnc2)nc(-c2cccnc2)[nH]1 ZINC000019339144 202005822 /nfs/dbraw/zinc/00/58/22/202005822.db2.gz ZDVJAZFDRIBSIS-SFHVURJKSA-N 1 1 347.422 2.954 40 0 EFABMO O[C@@H]1C[C@H]2CN(Cc3cccs3)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372795 202005953 /nfs/dbraw/zinc/00/59/53/202005953.db2.gz FRXOEIOGMWMNCF-OKZBNKHCSA-N 1 1 328.481 2.610 40 0 EFABMO O[C@@H]1C[C@H]2C[N@H+](Cc3cccs3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372795 202005957 /nfs/dbraw/zinc/00/59/57/202005957.db2.gz FRXOEIOGMWMNCF-OKZBNKHCSA-N 1 1 328.481 2.610 40 0 EFABMO O[C@@H]1C[C@H]2C[N@@H+](Cc3cccs3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372795 202005960 /nfs/dbraw/zinc/00/59/60/202005960.db2.gz FRXOEIOGMWMNCF-OKZBNKHCSA-N 1 1 328.481 2.610 40 0 EFABMO C[C@H](Cn1cc(Cl)cn1)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000019457385 202008200 /nfs/dbraw/zinc/00/82/00/202008200.db2.gz ZBGTWWPXXHNHIS-CYBMUJFWSA-N 1 1 326.872 2.553 40 0 EFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)c1 ZINC000019555390 202011200 /nfs/dbraw/zinc/01/12/00/202011200.db2.gz YZOYXAIZQVCKSL-MRXNPFEDSA-N 1 1 327.428 2.775 40 0 EFABMO CCCn1nc(C)c(-c2cncn2[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000019654460 202014907 /nfs/dbraw/zinc/01/49/07/202014907.db2.gz CBBBXJFCWNEUBY-AWEZNQCLSA-N 1 1 331.464 2.667 40 0 EFABMO CCN1CCN(C(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000020044669 202030517 /nfs/dbraw/zinc/03/05/17/202030517.db2.gz RAWYCXMLFRFNSZ-QGZVFWFLSA-N 1 1 329.488 2.696 40 0 EFABMO Fc1ccc(-c2cc(CC3([NH2+]Cc4cccnc4)COC3)no2)cc1 ZINC000067897889 202037901 /nfs/dbraw/zinc/03/79/01/202037901.db2.gz AVYTUZYQRAZYCM-UHFFFAOYSA-N 1 1 339.370 2.977 40 0 biogenic,in-vitro EFABMO COc1ccc(C[NH2+]C2(Cc3cc(CC(C)C)on3)COC2)cc1 ZINC000067898200 202041817 /nfs/dbraw/zinc/04/18/17/202041817.db2.gz XKCXTWWDBKLLBZ-UHFFFAOYSA-N 1 1 330.428 2.983 40 0 biogenic,in-vitro EFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000020493453 202046133 /nfs/dbraw/zinc/04/61/33/202046133.db2.gz FSMBYCBWCAKNFC-LJQANCHMSA-N 1 1 349.390 2.637 40 0 EFABMO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000021935981 202074541 /nfs/dbraw/zinc/07/45/41/202074541.db2.gz DKRORBQDSHDKEG-UHFFFAOYSA-N 1 1 330.453 2.819 40 0 EFABMO CC[N@@H+]1CCC[C@@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029797 202077682 /nfs/dbraw/zinc/07/76/82/202077682.db2.gz VHZCEHVYTHWFHP-CYBMUJFWSA-N 1 1 345.365 2.598 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022029797 202077685 /nfs/dbraw/zinc/07/76/85/202077685.db2.gz VHZCEHVYTHWFHP-CYBMUJFWSA-N 1 1 345.365 2.598 40 0 EFABMO C[N@H+](CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCc2ccccc21 ZINC000022757966 202090540 /nfs/dbraw/zinc/09/05/40/202090540.db2.gz XRMJRGPJYFLGJN-INIZCTEOSA-N 1 1 327.428 2.818 40 0 EFABMO C[N@@H+](CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCc2ccccc21 ZINC000022757966 202090542 /nfs/dbraw/zinc/09/05/42/202090542.db2.gz XRMJRGPJYFLGJN-INIZCTEOSA-N 1 1 327.428 2.818 40 0 EFABMO Cc1cc(F)ccc1S(=O)(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000022843829 202093144 /nfs/dbraw/zinc/09/31/44/202093144.db2.gz LGJUDRHPAHADHW-MRXNPFEDSA-N 1 1 336.432 2.715 40 0 EFABMO C[NH+]1CCN([C@@H](CNC(=O)c2cccc(Cl)c2)c2ccco2)CC1 ZINC000022938343 202095727 /nfs/dbraw/zinc/09/57/27/202095727.db2.gz OLVRBHIUDYPBMM-INIZCTEOSA-N 1 1 347.846 2.652 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)s1 ZINC000023976905 202110889 /nfs/dbraw/zinc/11/08/89/202110889.db2.gz MPTLBOSLADUORW-LLVKDONJSA-N 1 1 330.500 2.699 40 0 EFABMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccccc1F ZINC000025368718 202129474 /nfs/dbraw/zinc/12/94/74/202129474.db2.gz HJGYNJXFGSIDCR-MRXNPFEDSA-N 1 1 347.386 2.564 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccnc3)CC2)cc1 ZINC000025065685 202125467 /nfs/dbraw/zinc/12/54/67/202125467.db2.gz NNXXKIOLEZEKJL-UHFFFAOYSA-N 1 1 340.427 2.830 40 0 EFABMO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)C1 ZINC000027987467 202162928 /nfs/dbraw/zinc/16/29/28/202162928.db2.gz GQHIKKCWZCYXIB-ZDUSSCGKSA-N 1 1 325.817 2.877 40 0 EFABMO COc1ccc(C(=O)OCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000031948020 202215956 /nfs/dbraw/zinc/21/59/56/202215956.db2.gz ZWKBOTUYIZGEDF-UHFFFAOYSA-N 1 1 341.407 2.884 40 0 EFABMO O=C(NCc1ccco1)c1cccc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000069249934 202274135 /nfs/dbraw/zinc/27/41/35/202274135.db2.gz CHGCJDRXWZQHCM-SFHVURJKSA-N 1 1 342.439 2.947 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000036020578 202311440 /nfs/dbraw/zinc/31/14/40/202311440.db2.gz FHLKLXPKPYINIM-IEBWSBKVSA-N 1 1 346.471 2.775 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000036020578 202311443 /nfs/dbraw/zinc/31/14/43/202311443.db2.gz FHLKLXPKPYINIM-IEBWSBKVSA-N 1 1 346.471 2.775 40 0 EFABMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1nnc(CC3CCCC3)s1)C2 ZINC000072946053 202368603 /nfs/dbraw/zinc/36/86/03/202368603.db2.gz AZOFXGOONLAGGU-UONOGXRCSA-N 1 1 349.504 2.971 40 0 EFABMO CCn1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)cn1 ZINC000073303317 202369497 /nfs/dbraw/zinc/36/94/97/202369497.db2.gz SZZKLHOZCYCUMQ-OAHLLOKOSA-N 1 1 342.443 2.876 40 0 EFABMO CC(C)c1[nH+]ccn1CCC(=O)NC[C@]1(O)CCCc2ccccc21 ZINC000074062098 202372201 /nfs/dbraw/zinc/37/22/01/202372201.db2.gz CZHKWIFRKRYFPH-HXUWFJFHSA-N 1 1 341.455 2.737 40 0 EFABMO CC(C)(C)/C=C/C(=O)Nc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000074565899 202374078 /nfs/dbraw/zinc/37/40/78/202374078.db2.gz JIKHGUWLHXZFMG-SCOAYWHSSA-N 1 1 343.471 2.925 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000075838768 202378299 /nfs/dbraw/zinc/37/82/99/202378299.db2.gz UZKWAFUPOAMFBS-KRWDZBQOSA-N 1 1 341.459 2.868 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000075838768 202378303 /nfs/dbraw/zinc/37/83/03/202378303.db2.gz UZKWAFUPOAMFBS-KRWDZBQOSA-N 1 1 341.459 2.868 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000075862245 202379613 /nfs/dbraw/zinc/37/96/13/202379613.db2.gz RJSJJAQAQPNJAD-ZDUSSCGKSA-N 1 1 347.381 2.914 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000075862245 202379619 /nfs/dbraw/zinc/37/96/19/202379619.db2.gz RJSJJAQAQPNJAD-ZDUSSCGKSA-N 1 1 347.381 2.914 40 0 EFABMO CC(C)n1ccc(C(=O)OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000073300918 202370295 /nfs/dbraw/zinc/37/02/95/202370295.db2.gz IWVIHIGOYFLMFW-QGZVFWFLSA-N 1 1 343.427 2.522 40 0 EFABMO CC(C)n1ccc(C(=O)OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000073300918 202370298 /nfs/dbraw/zinc/37/02/98/202370298.db2.gz IWVIHIGOYFLMFW-QGZVFWFLSA-N 1 1 343.427 2.522 40 0 EFABMO O[C@H](C[C@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074867 202387472 /nfs/dbraw/zinc/38/74/72/202387472.db2.gz QQRXNEXTBRKGSH-RTBURBONSA-N 1 1 349.438 2.750 40 0 EFABMO O[C@H](C[C@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074867 202387475 /nfs/dbraw/zinc/38/74/75/202387475.db2.gz QQRXNEXTBRKGSH-RTBURBONSA-N 1 1 349.438 2.750 40 0 EFABMO CCC[N@H+]1CCCN(C(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000078394545 202390424 /nfs/dbraw/zinc/39/04/24/202390424.db2.gz GQDGJEAAIWZFGP-UHFFFAOYSA-N 1 1 344.484 2.692 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F ZINC000189377566 201048357 /nfs/dbraw/zinc/04/83/57/201048357.db2.gz YTHGPEYGYJCQAC-GDBMZVCRSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000189377566 201048361 /nfs/dbraw/zinc/04/83/61/201048361.db2.gz YTHGPEYGYJCQAC-GDBMZVCRSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000189377566 201048365 /nfs/dbraw/zinc/04/83/65/201048365.db2.gz YTHGPEYGYJCQAC-GDBMZVCRSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H](O)CC(F)(F)F ZINC000189377588 201048524 /nfs/dbraw/zinc/04/85/24/201048524.db2.gz YTHGPEYGYJCQAC-GOEBONIOSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000189377588 201048529 /nfs/dbraw/zinc/04/85/29/201048529.db2.gz YTHGPEYGYJCQAC-GOEBONIOSA-N 1 1 330.394 2.896 40 0 EFABMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000189377588 201048532 /nfs/dbraw/zinc/04/85/32/201048532.db2.gz YTHGPEYGYJCQAC-GOEBONIOSA-N 1 1 330.394 2.896 40 0 EFABMO COCC[N@@H+]1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C ZINC000182947460 201034313 /nfs/dbraw/zinc/03/43/13/201034313.db2.gz FHNYVMOSYBYQQK-SNVBAGLBSA-N 1 1 347.793 2.803 40 0 EFABMO COCC[N@H+]1CCN(C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C ZINC000182947460 201034315 /nfs/dbraw/zinc/03/43/15/201034315.db2.gz FHNYVMOSYBYQQK-SNVBAGLBSA-N 1 1 347.793 2.803 40 0 EFABMO C[N@H+]1C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000226752813 201038504 /nfs/dbraw/zinc/03/85/04/201038504.db2.gz LNUPTHQNWBYSRS-SJORKVTESA-N 1 1 338.407 2.742 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H](c2ccccc2)C1 ZINC000226751488 201038719 /nfs/dbraw/zinc/03/87/19/201038719.db2.gz XRIYYAKHQNIHSG-ZIAGYGMSSA-N 1 1 328.441 2.699 40 0 EFABMO CC(=O)Nc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000226751669 201038803 /nfs/dbraw/zinc/03/88/03/201038803.db2.gz KGTLYBBHWIXHSZ-MOPGFXCFSA-N 1 1 337.423 2.929 40 0 EFABMO Oc1ccc(Br)c2ccc(CC[NH+]3CCOCC3)nc12 ZINC000059474711 238775498 /nfs/dbraw/zinc/77/54/98/238775498.db2.gz DRLBEISUKUECSR-UHFFFAOYSA-N 1 1 337.217 2.578 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000245344209 201152688 /nfs/dbraw/zinc/15/26/88/201152688.db2.gz YCUIMVLIRQESNB-RHSMWYFYSA-N 1 1 327.403 2.861 40 0 EFABMO COc1ccc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)nn1 ZINC000283323356 201330129 /nfs/dbraw/zinc/33/01/29/201330129.db2.gz ZVBYLBVOOFSRIR-GOSISDBHSA-N 1 1 327.428 2.747 40 0 EFABMO CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184459 201330513 /nfs/dbraw/zinc/33/05/13/201330513.db2.gz FJYKTJMXOBZDOY-MLGOLLRUSA-N 1 1 344.377 2.646 40 0 EFABMO CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184459 201330517 /nfs/dbraw/zinc/33/05/17/201330517.db2.gz FJYKTJMXOBZDOY-MLGOLLRUSA-N 1 1 344.377 2.646 40 0 EFABMO C[C@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000085468130 202617813 /nfs/dbraw/zinc/61/78/13/202617813.db2.gz VSCLUJBLGNSVCM-KRWDZBQOSA-N 1 1 335.536 2.831 40 0 EFABMO COc1ncccc1C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000193422890 240157101 /nfs/dbraw/zinc/15/71/01/240157101.db2.gz GSWDXTZZSJASRH-INIZCTEOSA-N 1 1 344.390 2.625 40 0 EFABMO COc1ncccc1C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000193422890 240157107 /nfs/dbraw/zinc/15/71/07/240157107.db2.gz GSWDXTZZSJASRH-INIZCTEOSA-N 1 1 344.390 2.625 40 0 EFABMO O[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000022383511 212294018 /nfs/dbraw/zinc/29/40/18/212294018.db2.gz UBHDZDGZIMYOGP-GFCCVEGCSA-N 1 1 327.306 2.712 40 0 EFABMO O[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000022383511 212294021 /nfs/dbraw/zinc/29/40/21/212294021.db2.gz UBHDZDGZIMYOGP-GFCCVEGCSA-N 1 1 327.306 2.712 40 0 EFABMO CSc1cncc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000195566577 241015025 /nfs/dbraw/zinc/01/50/25/241015025.db2.gz QTTPLQCQJRXXKO-DZGCQCFKSA-N 1 1 329.473 2.916 40 0 EFABMO S=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021841827 212255466 /nfs/dbraw/zinc/25/54/66/212255466.db2.gz OLJIXRUQZWVEGB-RCCFBDPRSA-N 1 1 329.513 2.867 40 0 EFABMO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000021822218 212255069 /nfs/dbraw/zinc/25/50/69/212255069.db2.gz ZTHXAYWEKSSISY-UHFFFAOYSA-N 1 1 341.430 2.890 40 0 EFABMO CC(=O)Nc1ccc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000230104189 242232009 /nfs/dbraw/zinc/23/20/09/242232009.db2.gz KGTLYBBHWIXHSZ-OALUTQOASA-N 1 1 337.423 2.929 40 0 EFABMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1Cc2ccccc2O1 ZINC000029897712 283989883 /nfs/dbraw/zinc/98/98/83/283989883.db2.gz TYRRMCAHGPYUKT-VQIMIIECSA-N 1 1 340.423 2.927 40 0 EFABMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1C[C@H](O)CN1CCCC1=O ZINC000241775891 243000599 /nfs/dbraw/zinc/00/05/99/243000599.db2.gz RPZLUEYMCCULTN-JFIYKMOQSA-N 1 1 346.471 2.594 40 0 EFABMO C[C@@H]1C[C@H](NC(=O)NCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000241795535 243002900 /nfs/dbraw/zinc/00/29/00/243002900.db2.gz RZZPUBTTXNAANK-SJLPKXTDSA-N 1 1 345.487 2.644 40 0 EFABMO C[C@@H]1C[C@@H](NC(=O)NCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000241795533 243003656 /nfs/dbraw/zinc/00/36/56/243003656.db2.gz RZZPUBTTXNAANK-AEFFLSMTSA-N 1 1 345.487 2.644 40 0 EFABMO CCCOc1cccc(C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150705 203093374 /nfs/dbraw/zinc/09/33/74/203093374.db2.gz MGUYEQINAHKNJS-UHFFFAOYSA-N 1 1 326.444 2.978 40 0 EFABMO CCN1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132909 203094143 /nfs/dbraw/zinc/09/41/43/203094143.db2.gz XQKXLOPZIRQYAJ-IBGZPJMESA-N 1 1 343.515 2.612 40 0 EFABMO CCN1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132909 203094146 /nfs/dbraw/zinc/09/41/46/203094146.db2.gz XQKXLOPZIRQYAJ-IBGZPJMESA-N 1 1 343.515 2.612 40 0 EFABMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC2CCSCC2)C1 ZINC000092160964 203077934 /nfs/dbraw/zinc/07/79/34/203077934.db2.gz LUHUZKCCHGYWJR-HNNXBMFYSA-N 1 1 333.501 2.691 40 0 EFABMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000092101605 203078495 /nfs/dbraw/zinc/07/84/95/203078495.db2.gz FSOBFVWJFOFZAS-KRWDZBQOSA-N 1 1 340.427 2.569 40 0 EFABMO c1cc2n(c1)[C@H](COCc1ccncc1)C[N@@H+](CC1CCOCC1)C2 ZINC000253595443 244029038 /nfs/dbraw/zinc/02/90/38/244029038.db2.gz DLHFGHKIHWOXCW-FQEVSTJZSA-N 1 1 341.455 2.883 40 0 EFABMO C[C@@H]1c2nc(CC(=O)NCc3cccs3)cn2CC[N@H+]1CC1CC1 ZINC000253591043 244029336 /nfs/dbraw/zinc/02/93/36/244029336.db2.gz IJSGLEXKHXGQAU-CYBMUJFWSA-N 1 1 344.484 2.590 40 0 EFABMO C[C@@H]1c2nc(CC(=O)NCc3cccs3)cn2CC[N@@H+]1CC1CC1 ZINC000253591043 244029346 /nfs/dbraw/zinc/02/93/46/244029346.db2.gz IJSGLEXKHXGQAU-CYBMUJFWSA-N 1 1 344.484 2.590 40 0 EFABMO Cc1ccsc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1CCC1)CO2 ZINC000253598695 244030423 /nfs/dbraw/zinc/03/04/23/244030423.db2.gz GDBDPYWILDJTRP-HNNXBMFYSA-N 1 1 348.512 2.954 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000253603159 244034759 /nfs/dbraw/zinc/03/47/59/244034759.db2.gz BNZWGNPSEMERGT-LSBZLQRGSA-N 1 1 332.444 2.565 40 0 EFABMO Cc1n[nH]c(C)c1CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257206795 244135886 /nfs/dbraw/zinc/13/58/86/244135886.db2.gz BEXFZPSNRGJVMI-SFHVURJKSA-N 1 1 341.459 2.503 40 0 EFABMO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cnc(N(C)C)nc3)C2)cn1 ZINC000257199655 244114581 /nfs/dbraw/zinc/11/45/81/244114581.db2.gz AAHNGLFOZRQJHA-QGZVFWFLSA-N 1 1 325.460 2.701 40 0 EFABMO c1c[nH]c(C[NH+]2CCC(Cc3cc(Nc4ccccn4)ncn3)CC2)n1 ZINC000257204113 244125551 /nfs/dbraw/zinc/12/55/51/244125551.db2.gz ATCALDAAIJMJJC-UHFFFAOYSA-N 1 1 349.442 2.793 40 0 EFABMO CC(C)c1noc(CCC(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257209770 244146033 /nfs/dbraw/zinc/14/60/33/244146033.db2.gz BRVCFAKGTALXAL-INIZCTEOSA-N 1 1 342.443 2.641 40 0 EFABMO CC(C)c1noc(CCC(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000257209770 244146040 /nfs/dbraw/zinc/14/60/40/244146040.db2.gz BRVCFAKGTALXAL-INIZCTEOSA-N 1 1 342.443 2.641 40 0 EFABMO c1ccc(CO[C@H]2CC[N@H+](Cc3cnccn3)C[C@@]23CCCO3)cc1 ZINC000257209508 244146201 /nfs/dbraw/zinc/14/62/01/244146201.db2.gz BQRRSKROZMSJQF-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO c1ccc(CO[C@H]2CC[N@@H+](Cc3cnccn3)C[C@@]23CCCO3)cc1 ZINC000257209508 244146207 /nfs/dbraw/zinc/14/62/07/244146207.db2.gz BQRRSKROZMSJQF-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO Cc1c[nH]c(-c2cc(C[C@@H]3CC[N@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257210239 244147369 /nfs/dbraw/zinc/14/73/69/244147369.db2.gz BTTFCHIWEWRXGG-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1c[nH]c(-c2cc(C[C@@H]3CC[N@@H+](Cc4cscn4)C3)ncn2)n1 ZINC000257210239 244147376 /nfs/dbraw/zinc/14/73/76/244147376.db2.gz BTTFCHIWEWRXGG-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO c1c[nH]c(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)n1 ZINC000257210544 244149761 /nfs/dbraw/zinc/14/97/61/244149761.db2.gz BVCMAOTXAYSVBK-UHFFFAOYSA-N 1 1 335.415 2.718 40 0 EFABMO Cn1cncc1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257210965 244150229 /nfs/dbraw/zinc/15/02/29/244150229.db2.gz BWWXOYVQQLWCRG-MRXNPFEDSA-N 1 1 335.415 2.686 40 0 EFABMO Cn1cncc1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257210965 244150235 /nfs/dbraw/zinc/15/02/35/244150235.db2.gz BWWXOYVQQLWCRG-MRXNPFEDSA-N 1 1 335.415 2.686 40 0 EFABMO C[N@H+]1CCC[C@@H](c2cncc(C(=O)NCc3ccccc3Cl)n2)C1 ZINC000257211256 244151072 /nfs/dbraw/zinc/15/10/72/244151072.db2.gz BYDXABUNGSLVNS-CQSZACIVSA-N 1 1 344.846 2.869 40 0 EFABMO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257211393 244152010 /nfs/dbraw/zinc/15/20/10/244152010.db2.gz BYRDGETZXFKHGS-LJQANCHMSA-N 1 1 349.438 2.931 40 0 EFABMO CN(C)c1cc(CC[C@H]2CN(C(=O)c3ccsc3)CCO2)cc[nH+]1 ZINC000257214046 244161470 /nfs/dbraw/zinc/16/14/70/244161470.db2.gz CKHFJUUTZINXEK-INIZCTEOSA-N 1 1 345.468 2.683 40 0 EFABMO CC(C)n1ccnc1C[N@H+]1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1 ZINC000257216575 244171498 /nfs/dbraw/zinc/17/14/98/244171498.db2.gz CVCPMKDNFCMCMF-ARFHVFGLSA-N 1 1 326.448 2.577 40 0 EFABMO Cn1cncc1CN1CC[N@@H+](C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257226428 244202720 /nfs/dbraw/zinc/20/27/20/244202720.db2.gz FKORNUUWSSZDND-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1cccc(C(=O)N2CCC[C@@H]2c2nc(C)ncc2C[NH+](C)C)n1 ZINC000257229931 244211506 /nfs/dbraw/zinc/21/15/06/244211506.db2.gz GAAUQXZEDKDGIH-QGZVFWFLSA-N 1 1 339.443 2.527 40 0 EFABMO CCCn1ccnc1C[N@@H+]1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257220090 244180920 /nfs/dbraw/zinc/18/09/20/244180920.db2.gz DJMFZDIARQLMIV-HNNXBMFYSA-N 1 1 328.464 2.580 40 0 EFABMO CCCn1ccnc1C[N@H+]1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257220090 244180926 /nfs/dbraw/zinc/18/09/26/244180926.db2.gz DJMFZDIARQLMIV-HNNXBMFYSA-N 1 1 328.464 2.580 40 0 EFABMO c1cncc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)c1 ZINC000072377646 203209792 /nfs/dbraw/zinc/20/97/92/203209792.db2.gz ICBOTLZQBXJAKQ-MRXNPFEDSA-N 1 1 347.426 2.785 40 0 EFABMO CCN1C(=O)CC[C@@H]2[N@@H+](Cc3c(C)nn(C)c3C)CCCC[C@@]21C ZINC000257243598 244250752 /nfs/dbraw/zinc/25/07/52/244250752.db2.gz IHSGGVHFYSYKOM-HKUYNNGSSA-N 1 1 332.492 2.792 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378638 203211223 /nfs/dbraw/zinc/21/12/23/203211223.db2.gz QQGWBUMAKCIFGO-KRWDZBQOSA-N 1 1 334.427 2.957 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378638 203211227 /nfs/dbraw/zinc/21/12/27/203211227.db2.gz QQGWBUMAKCIFGO-KRWDZBQOSA-N 1 1 334.427 2.957 40 0 EFABMO CC(=O)Nc1nc(C)c(-c2cncc([C@@H]3CCC[N@H+](C)C3)n2)s1 ZINC000257244778 244253009 /nfs/dbraw/zinc/25/30/09/244253009.db2.gz IMSFWHCKXCXFIM-GFCCVEGCSA-N 1 1 331.445 2.676 40 0 EFABMO C[N@H+]1CCC[C@@H](c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257244086 244253181 /nfs/dbraw/zinc/25/31/81/244253181.db2.gz IJUGXMYRIJHOAZ-CQSZACIVSA-N 1 1 330.432 2.945 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CC[N@H+](Cc4cscn4)C3)n2)n1 ZINC000257234542 244222287 /nfs/dbraw/zinc/22/22/87/244222287.db2.gz GUAOGECKJVQAIL-ZDUSSCGKSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CC[N@@H+](Cc4cscn4)C3)n2)n1 ZINC000257234542 244222296 /nfs/dbraw/zinc/22/22/96/244222296.db2.gz GUAOGECKJVQAIL-ZDUSSCGKSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CC[N@H+](Cc4cscn4)C3)n2)n1 ZINC000257234541 244223103 /nfs/dbraw/zinc/22/31/03/244223103.db2.gz GUAOGECKJVQAIL-CYBMUJFWSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CC[N@@H+](Cc4cscn4)C3)n2)n1 ZINC000257234541 244223106 /nfs/dbraw/zinc/22/31/06/244223106.db2.gz GUAOGECKJVQAIL-CYBMUJFWSA-N 1 1 340.456 2.930 40 0 EFABMO CNC(=O)[C@]1(CCCc2ccccn2)CC[N@H+]1CCc1ccccc1 ZINC000257234467 244224188 /nfs/dbraw/zinc/22/41/88/244224188.db2.gz GTPYLDNPKSLVFM-NRFANRHFSA-N 1 1 337.467 2.838 40 0 EFABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2CC2(O)CCCCC2)n1 ZINC000257246060 244257412 /nfs/dbraw/zinc/25/74/12/244257412.db2.gz ISGSIVFAAAGHMZ-GOSISDBHSA-N 1 1 331.460 2.550 40 0 EFABMO CNC(=O)[C@@]1(CCCc2ccccn2)CC[N@H+]1CCc1ccccc1 ZINC000257234468 244224577 /nfs/dbraw/zinc/22/45/77/244224577.db2.gz GTPYLDNPKSLVFM-OAQYLSRUSA-N 1 1 337.467 2.838 40 0 EFABMO Cc1nn(C)c2nc([C@@]3(C)CCC[N@H+](C4CCOCC4)C3)ccc12 ZINC000257237396 244233189 /nfs/dbraw/zinc/23/31/89/244233189.db2.gz HGGQCYNITVENBW-IBGZPJMESA-N 1 1 328.460 2.809 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355424 203204056 /nfs/dbraw/zinc/20/40/56/203204056.db2.gz FQSMDIJVYIXOMK-MRXNPFEDSA-N 1 1 348.454 2.999 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355425 203204279 /nfs/dbraw/zinc/20/42/79/203204279.db2.gz FQSMDIJVYIXOMK-INIZCTEOSA-N 1 1 348.454 2.999 40 0 EFABMO Cc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)c2ccccc2)CC1 ZINC000072350522 203204726 /nfs/dbraw/zinc/20/47/26/203204726.db2.gz IAPYZVHESWLJOR-UHFFFAOYSA-N 1 1 347.422 2.991 40 0 EFABMO Clc1ccccc1C[NH+]1CC2(C1)CO[C@H](Cc1cncnc1)C2 ZINC000257240595 244241417 /nfs/dbraw/zinc/24/14/17/244241417.db2.gz HUGGVNUOEAXHMB-MRXNPFEDSA-N 1 1 329.831 2.964 40 0 EFABMO COCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000072352109 203205597 /nfs/dbraw/zinc/20/55/97/203205597.db2.gz PGOWWHDHDOKUDN-UHFFFAOYSA-N 1 1 346.475 2.567 40 0 EFABMO COCC[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376821 203208758 /nfs/dbraw/zinc/20/87/58/203208758.db2.gz TXILDFVFAZTFAI-QGZVFWFLSA-N 1 1 342.443 2.908 40 0 EFABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@@H+](Cc3cccnc3)C[C@@H]12 ZINC000072395487 203213500 /nfs/dbraw/zinc/21/35/00/203213500.db2.gz MVTDEZYPBFQZEG-NQIIRXRSSA-N 1 1 349.434 2.631 40 0 EFABMO CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)C[N@H+](Cc3cccnc3)C[C@@H]12 ZINC000072395487 203213504 /nfs/dbraw/zinc/21/35/04/203213504.db2.gz MVTDEZYPBFQZEG-NQIIRXRSSA-N 1 1 349.434 2.631 40 0 EFABMO Cn1nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2nccnc21 ZINC000072393843 203214017 /nfs/dbraw/zinc/21/40/17/203214017.db2.gz RFAAMJYMIPPYHU-AWEZNQCLSA-N 1 1 325.391 2.882 40 0 EFABMO C[C@]12CCCN(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)[C@@H]1CCC[NH2+]2 ZINC000257255215 244279935 /nfs/dbraw/zinc/27/99/35/244279935.db2.gz KGPAHELZILLCPG-MJGOQNOKSA-N 1 1 342.418 2.963 40 0 EFABMO Cc1noc(C)c1CCC(=O)N[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257257228 244284783 /nfs/dbraw/zinc/28/47/83/244284783.db2.gz KOQQMRSWISKBJL-MRXNPFEDSA-N 1 1 342.443 2.713 40 0 EFABMO Cc1cnccc1C[N@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257271361 244379579 /nfs/dbraw/zinc/37/95/79/244379579.db2.gz MXZIJWZYUQNNCS-QGZVFWFLSA-N 1 1 334.427 2.745 40 0 EFABMO Cn1cnc(CN2CC[N@@H+](C)C[C@@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270388 244376777 /nfs/dbraw/zinc/37/67/77/244376777.db2.gz MUAOLEFBTZBCGG-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257271037 244377830 /nfs/dbraw/zinc/37/78/30/244377830.db2.gz MWOCZAZITIRQHF-MRXNPFEDSA-N 1 1 338.459 2.555 40 0 EFABMO Cc1ccsc1C[N@@H+]1CCOC[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257262554 244349346 /nfs/dbraw/zinc/34/93/46/244349346.db2.gz LLWYDCCUPAUKGJ-OAHLLOKOSA-N 1 1 346.500 2.604 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cn1 ZINC000257272297 244381628 /nfs/dbraw/zinc/38/16/28/244381628.db2.gz NBWHRNNFKKMVCB-KRWDZBQOSA-N 1 1 334.427 2.745 40 0 EFABMO CC(C)n1ccnc1C[N@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257275179 244391742 /nfs/dbraw/zinc/39/17/42/244391742.db2.gz NOGALIXPXOBHJR-UHFFFAOYSA-N 1 1 326.448 2.721 40 0 EFABMO COCCN1[C@H](C)C[NH+](Cc2cnc(-c3cccnc3)s2)C[C@H]1C ZINC000093478816 203308458 /nfs/dbraw/zinc/30/84/58/203308458.db2.gz WAXWLPIEPVZGOU-HUUCEWRRSA-N 1 1 346.500 2.746 40 0 EFABMO CC(=O)NC1CCC([NH2+][C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000133291230 203697373 /nfs/dbraw/zinc/69/73/73/203697373.db2.gz FYBUCYNFAHYBNR-JQRITLKVSA-N 1 1 328.416 2.835 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096107599 203835311 /nfs/dbraw/zinc/83/53/11/203835311.db2.gz GJLAIWLRIINWRM-RDJZCZTQSA-N 1 1 331.441 2.659 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(C(=O)c1ccco1)CC2 ZINC000096048021 203806947 /nfs/dbraw/zinc/80/69/47/203806947.db2.gz APFNEPJLSDTSCE-HNNXBMFYSA-N 1 1 344.411 2.768 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)c1cc(C)oc1C)C2 ZINC000096219868 203872487 /nfs/dbraw/zinc/87/24/87/203872487.db2.gz ZFVLSKHZVPXGIM-YLJYHZDGSA-N 1 1 346.471 2.717 40 0 EFABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1C ZINC000096261574 203885964 /nfs/dbraw/zinc/88/59/64/203885964.db2.gz YCDJERDDLLNDJS-FUHIMQAGSA-N 1 1 325.456 2.856 40 0 EFABMO CCOc1cc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1OC ZINC000105005422 204131098 /nfs/dbraw/zinc/13/10/98/204131098.db2.gz GEQFXOOHMXATGN-HNNXBMFYSA-N 1 1 333.432 2.796 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000107207518 204227661 /nfs/dbraw/zinc/22/76/61/204227661.db2.gz LPGMULJPPUHMBM-QYZOEREBSA-N 1 1 328.412 2.932 40 0 EFABMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccncc3)CC[C@@H]21 ZINC000107203599 204228786 /nfs/dbraw/zinc/22/87/86/204228786.db2.gz LESHMQWAOUEQKD-AABGKKOBSA-N 1 1 339.487 2.652 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CCC3)C2)cn1 ZINC000107712530 204244385 /nfs/dbraw/zinc/24/43/85/204244385.db2.gz NPZVKGKWKHXSNQ-OALUTQOASA-N 1 1 333.476 2.608 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000107731234 204246173 /nfs/dbraw/zinc/24/61/73/204246173.db2.gz QGHHWOWFABPJQQ-QAPCUYQASA-N 1 1 346.406 2.753 40 0 EFABMO Cc1ccc(CN2CCO[C@@H]3[C@@H](COCC[NH+](C)C)CC[C@H]32)s1 ZINC000107747123 204247222 /nfs/dbraw/zinc/24/72/22/204247222.db2.gz HEYIOBUAGCPJTH-KBAYOESNSA-N 1 1 338.517 2.614 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000107747319 204247741 /nfs/dbraw/zinc/24/77/41/204247741.db2.gz DLSZXVVENKBMCO-XUVXKRRUSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000107747319 204247745 /nfs/dbraw/zinc/24/77/45/204247745.db2.gz DLSZXVVENKBMCO-XUVXKRRUSA-N 1 1 339.439 2.673 40 0 EFABMO Fc1ccccc1C[N@H+]1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1 ZINC000108527056 204264947 /nfs/dbraw/zinc/26/49/47/204264947.db2.gz AYQHUEDKKKQEHE-PMACEKPBSA-N 1 1 341.430 2.696 40 0 EFABMO COCCNC(=O)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000108528750 204264957 /nfs/dbraw/zinc/26/49/57/204264957.db2.gz HCMCOVBFOGMSKY-LPHOPBHVSA-N 1 1 334.435 2.581 40 0 EFABMO Cc1ccccc1C[N@H+]1CCC2(CC(NC(=O)c3ccnnc3)C2)C1 ZINC000108524616 204265660 /nfs/dbraw/zinc/26/56/60/204265660.db2.gz LPSFKYHROSUPTI-UHFFFAOYSA-N 1 1 336.439 2.570 40 0 EFABMO Cc1cccnc1C[N@H+]1CCC2(CC(NC(=O)c3ccco3)C2)C1 ZINC000108529973 204266248 /nfs/dbraw/zinc/26/62/48/204266248.db2.gz KVMZRHLWUQKLPA-UHFFFAOYSA-N 1 1 325.412 2.768 40 0 EFABMO COCCN1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3C)CC2)C1=O ZINC000108525173 204266379 /nfs/dbraw/zinc/26/63/79/204266379.db2.gz HRLGFJBIPWBGQQ-FQEVSTJZSA-N 1 1 348.462 2.985 40 0 EFABMO CCc1nc(C[NH+]2CCC(CNC(=O)c3cc(C)on3)CC2)cs1 ZINC000111044295 204333426 /nfs/dbraw/zinc/33/34/26/204333426.db2.gz MLVYYJPJIDDTLC-UHFFFAOYSA-N 1 1 348.472 2.644 40 0 EFABMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cccc(Br)c2)C1 ZINC000046877538 204336400 /nfs/dbraw/zinc/33/64/00/204336400.db2.gz ZQSNOACYPQTVAB-LBPRGKRZSA-N 1 1 325.250 2.911 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000047032692 204336988 /nfs/dbraw/zinc/33/69/88/204336988.db2.gz ISXJNXZXNYGYEO-KRWDZBQOSA-N 1 1 336.432 2.715 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000047032693 204337100 /nfs/dbraw/zinc/33/71/00/204337100.db2.gz ISXJNXZXNYGYEO-QGZVFWFLSA-N 1 1 336.432 2.715 40 0 EFABMO CCOC(=O)c1ccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000048331813 204345219 /nfs/dbraw/zinc/34/52/19/204345219.db2.gz GJOOBJQOJQNYKF-CQSZACIVSA-N 1 1 333.432 2.859 40 0 EFABMO CC(C)[C@H](CNC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1)[NH+]1CCOCC1 ZINC000048301926 204345556 /nfs/dbraw/zinc/34/55/56/204345556.db2.gz FUPUAMLDLIVEPR-TVBMRNDXSA-N 1 1 346.471 2.889 40 0 EFABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)o1 ZINC000049170469 204369326 /nfs/dbraw/zinc/36/93/26/204369326.db2.gz AJXYSFZPHUTHTF-ZDUSSCGKSA-N 1 1 348.410 2.941 40 0 biogenic,in-vitro EFABMO Cn1nncc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000093843086 218254229 /nfs/dbraw/zinc/25/42/29/218254229.db2.gz DGCLLTWKFRSHKJ-LBPRGKRZSA-N 1 1 327.215 2.775 40 0 EFABMO Cn1nncc1C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000093843086 218254232 /nfs/dbraw/zinc/25/42/32/218254232.db2.gz DGCLLTWKFRSHKJ-LBPRGKRZSA-N 1 1 327.215 2.775 40 0 EFABMO Cn1nncc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000093843087 218254366 /nfs/dbraw/zinc/25/43/66/218254366.db2.gz DGCLLTWKFRSHKJ-GFCCVEGCSA-N 1 1 327.215 2.775 40 0 EFABMO Cn1nncc1C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000093843087 218254367 /nfs/dbraw/zinc/25/43/67/218254367.db2.gz DGCLLTWKFRSHKJ-GFCCVEGCSA-N 1 1 327.215 2.775 40 0 EFABMO CCCN1CC[NH+](C2CCN(c3cc(C)nc(C4CC4)n3)CC2)CC1 ZINC000095397830 218329519 /nfs/dbraw/zinc/32/95/19/218329519.db2.gz VONUESZCGPEQSC-UHFFFAOYSA-N 1 1 343.519 2.659 40 0 EFABMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 ZINC000095422182 218364254 /nfs/dbraw/zinc/36/42/54/218364254.db2.gz MPFZNWDAEVGQCS-CQSZACIVSA-N 1 1 349.500 2.842 40 0 EFABMO COC[C@@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccco1 ZINC000095423550 218366023 /nfs/dbraw/zinc/36/60/23/218366023.db2.gz SRKCGJMDJFGFCG-SWLSCSKDSA-N 1 1 338.429 2.689 40 0 EFABMO CCc1ccc([C@H](CNS(=O)(=O)c2cccs2)[NH+](C)C)cc1 ZINC000012916007 207263512 /nfs/dbraw/zinc/26/35/12/207263512.db2.gz HVVUDVREMFRLEX-HNNXBMFYSA-N 1 1 338.498 2.892 40 0 EFABMO COc1ccc(C)nc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000097378575 219019910 /nfs/dbraw/zinc/01/99/10/219019910.db2.gz RQEUSZSWSJDJEU-CQSZACIVSA-N 1 1 329.404 2.600 40 0 EFABMO COCc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccsc3)CC2)n1 ZINC000097378898 219020552 /nfs/dbraw/zinc/02/05/52/219020552.db2.gz XZAQIIMXNDFVMQ-OLZOCXBDSA-N 1 1 336.461 2.717 40 0 EFABMO O=C(Nc1ccc(Cl)cc1F)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000119708011 221382932 /nfs/dbraw/zinc/38/29/32/221382932.db2.gz LWICMEBMDQVLTJ-GFCCVEGCSA-N 1 1 341.814 2.665 40 0 EFABMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H](C)O1 ZINC000097044931 258068259 /nfs/dbraw/zinc/06/82/59/258068259.db2.gz YUHXPZZFASYIRI-AOOOYVTPSA-N 1 1 348.274 2.939 40 0 EFABMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H](C)O1 ZINC000097044931 258068260 /nfs/dbraw/zinc/06/82/60/258068260.db2.gz YUHXPZZFASYIRI-AOOOYVTPSA-N 1 1 348.274 2.939 40 0 EFABMO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000013268143 285399971 /nfs/dbraw/zinc/39/99/71/285399971.db2.gz QHHMNJSLLHSPPE-UHFFFAOYSA-N 1 1 325.416 2.578 40 0 EFABMO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000189677820 533401145 /nfs/dbraw/zinc/40/11/45/533401145.db2.gz DYTBBKBSDBXCNU-RDJZCZTQSA-N 1 1 332.444 2.976 40 0 EFABMO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCOCC3)n2)c1 ZINC000036752799 132392580 /nfs/dbraw/zinc/39/25/80/132392580.db2.gz PXODMLLFQCUBGC-SFHVURJKSA-N 1 1 342.418 2.789 40 0 EFABMO Fc1cccc([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCOCC3)n2)c1 ZINC000036752799 132392582 /nfs/dbraw/zinc/39/25/82/132392582.db2.gz PXODMLLFQCUBGC-SFHVURJKSA-N 1 1 342.418 2.789 40 0 EFABMO CCOC[C@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218508647 286181636 /nfs/dbraw/zinc/18/16/36/286181636.db2.gz BHXZWXOURZWQRN-QYZOEREBSA-N 1 1 345.464 2.669 40 0 EFABMO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](CC1CCCCC1)CC2 ZINC000019403830 275061871 /nfs/dbraw/zinc/06/18/71/275061871.db2.gz UHQLJCWEUHNTNG-UHFFFAOYSA-N 1 1 339.443 2.620 40 0 EFABMO c1coc(CN2CCO[C@]3(CCC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC000096226747 275074646 /nfs/dbraw/zinc/07/46/46/275074646.db2.gz YUADQZOXEVAWCY-IBGZPJMESA-N 1 1 327.428 2.542 40 0 EFABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn(C)n1 ZINC000096434408 276139310 /nfs/dbraw/zinc/13/93/10/276139310.db2.gz YLCJVIQVFQURFE-KRWDZBQOSA-N 1 1 341.459 2.796 40 0 EFABMO CNc1nccnc1C[C@@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000257268782 277305949 /nfs/dbraw/zinc/30/59/49/277305949.db2.gz MNELCWVHKBWYQR-HNNXBMFYSA-N 1 1 328.464 2.750 40 0 EFABMO CNc1nccnc1C[C@@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000257268782 277305950 /nfs/dbraw/zinc/30/59/50/277305950.db2.gz MNELCWVHKBWYQR-HNNXBMFYSA-N 1 1 328.464 2.750 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)c2cc3c(s2)CCC3)[C@H]1O ZINC000257261416 279174360 /nfs/dbraw/zinc/17/43/60/279174360.db2.gz LHEUTFLMKGJOPR-CKEIUWERSA-N 1 1 345.468 2.626 40 0 EFABMO C[C@@H]1C[N@@H+](CC2(O)CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000096483368 288149605 /nfs/dbraw/zinc/14/96/05/288149605.db2.gz LJTKZLYXNPAXOS-CABCVRRESA-N 1 1 326.481 2.917 40 0 EFABMO Cc1cccc(C)c1-n1nnnc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000295675002 295358687 /nfs/dbraw/zinc/35/86/87/295358687.db2.gz BQJQVFRXDDAZHO-LSDHHAIUSA-N 1 1 336.443 2.895 40 0 EFABMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000329951117 311298861 /nfs/dbraw/zinc/29/88/61/311298861.db2.gz MFDGJDYKYFKHQV-UHFFFAOYSA-N 1 1 338.411 2.741 40 0 EFABMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)NC1CCSCC1 ZINC000195452326 323526348 /nfs/dbraw/zinc/52/63/48/323526348.db2.gz JQWAFYZKEIAQKV-UHFFFAOYSA-N 1 1 349.500 2.578 40 0 EFABMO COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)c3ccccn3)C2=O)c1 ZINC000090180090 472607492 /nfs/dbraw/zinc/60/74/92/472607492.db2.gz FXZJCDMGOJCMOL-UGSOOPFHSA-N 1 1 341.411 2.555 40 0 EFABMO COc1cccc(NCCc2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)c1 ZINC000095534122 473223633 /nfs/dbraw/zinc/22/36/33/473223633.db2.gz BNNLSMBMWWZDEB-SFHVURJKSA-N 1 1 337.427 2.824 40 0 EFABMO C[N@@H+](CCCN1C(=O)CNC1=O)C1c2ccccc2-c2ccccc21 ZINC000081596690 473228332 /nfs/dbraw/zinc/22/83/32/473228332.db2.gz QDNKTZVJZKZGNI-UHFFFAOYSA-N 1 1 335.407 2.630 40 0 EFABMO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)no1 ZINC000096040045 473259853 /nfs/dbraw/zinc/25/98/53/473259853.db2.gz PMKBKFMWSLJBHL-RBUKOAKNSA-N 1 1 343.427 2.828 40 0 EFABMO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)no1 ZINC000096040045 473259861 /nfs/dbraw/zinc/25/98/61/473259861.db2.gz PMKBKFMWSLJBHL-RBUKOAKNSA-N 1 1 343.427 2.828 40 0 EFABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039144 473259882 /nfs/dbraw/zinc/25/98/82/473259882.db2.gz NUDSVTVLBMFOIE-MOPGFXCFSA-N 1 1 335.444 2.721 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000096039984 473259923 /nfs/dbraw/zinc/25/99/23/473259923.db2.gz HFUUUMBHHMYZQU-WMZOPIPTSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000096039984 473259930 /nfs/dbraw/zinc/25/99/30/473259930.db2.gz HFUUUMBHHMYZQU-WMZOPIPTSA-N 1 1 345.468 2.988 40 0 EFABMO c1cncc(OC[C@]23CCCO[C@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096039995 473260343 /nfs/dbraw/zinc/26/03/43/473260343.db2.gz HVRVWFYCULTIII-VQTJNVASSA-N 1 1 339.439 2.927 40 0 EFABMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCOCc3ccccc3)O2)n1 ZINC000096041076 473260889 /nfs/dbraw/zinc/26/08/89/473260889.db2.gz XZLMQBMXMPUCHC-KZNAEPCWSA-N 1 1 343.427 2.889 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096040436 473261343 /nfs/dbraw/zinc/26/13/43/473261343.db2.gz IDSAUYJZXLFONT-QUCCMNQESA-N 1 1 346.471 2.758 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@H]2CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096040351 473261513 /nfs/dbraw/zinc/26/15/13/473261513.db2.gz YBAAHNBWFGSKGV-AZUAARDMSA-N 1 1 339.439 2.927 40 0 EFABMO O=C(C[C@@H]1COC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21)NCc1cccs1 ZINC000096040864 473261683 /nfs/dbraw/zinc/26/16/83/473261683.db2.gz HFSNNHJSHGYBPV-NUJGCVRESA-N 1 1 348.512 2.749 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096040946 473262074 /nfs/dbraw/zinc/26/20/74/473262074.db2.gz ZDNLCQWJCQHOFI-QYZOEREBSA-N 1 1 343.427 2.635 40 0 EFABMO O=C(NC1CCCC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]21 ZINC000096043339 473264893 /nfs/dbraw/zinc/26/48/93/473264893.db2.gz ZMMJYXHQUBNTHT-FGTMMUONSA-N 1 1 332.444 2.565 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096043002 473265102 /nfs/dbraw/zinc/26/51/02/473265102.db2.gz BCJLSILNLQNHII-OKZBNKHCSA-N 1 1 348.512 2.986 40 0 EFABMO Cn1cc(C[N@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cn1 ZINC000096046655 473266413 /nfs/dbraw/zinc/26/64/13/473266413.db2.gz AVHPGCZMURHKSI-UHFFFAOYSA-N 1 1 344.484 2.610 40 0 EFABMO O=C(c1cnccn1)N1CCC2(CC[N@@H+](Cc3ccsc3)C2)CC1 ZINC000096046671 473267088 /nfs/dbraw/zinc/26/70/88/473267088.db2.gz UEBUTKLTWUQNJO-UHFFFAOYSA-N 1 1 342.468 2.666 40 0 EFABMO Cc1nc(COC[C@@H]2C[N@@H+](CC3CC3)Cc3ncn(C)c32)cs1 ZINC000096045038 473267105 /nfs/dbraw/zinc/26/71/05/473267105.db2.gz BMTKUKSBYRRYLS-AWEZNQCLSA-N 1 1 332.473 2.711 40 0 EFABMO Cc1coc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cc12 ZINC000190420414 473267523 /nfs/dbraw/zinc/26/75/23/473267523.db2.gz BBOWVAKRFBFXGN-OAHLLOKOSA-N 1 1 343.427 2.927 40 0 EFABMO Cc1coc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cc12 ZINC000190420435 473267800 /nfs/dbraw/zinc/26/78/00/473267800.db2.gz BBOWVAKRFBFXGN-HNNXBMFYSA-N 1 1 343.427 2.927 40 0 EFABMO O=C1N(c2ccsc2)CC[C@]12CCC[N@@H+](CC1CCOCC1)C2 ZINC000096048764 473270546 /nfs/dbraw/zinc/27/05/46/473270546.db2.gz AXBILVDNNMIDHB-SFHVURJKSA-N 1 1 334.485 2.994 40 0 EFABMO CN(Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048046 473268917 /nfs/dbraw/zinc/26/89/17/473268917.db2.gz FWYHMRXLVKEIGG-LJQANCHMSA-N 1 1 341.455 2.930 40 0 EFABMO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)nn1 ZINC000096048439 473271055 /nfs/dbraw/zinc/27/10/55/473271055.db2.gz NQBVHPHEFQBGNR-FUHWJXTLSA-N 1 1 328.416 2.614 40 0 EFABMO O=C1CCC2(CC[NH+](Cc3nccs3)CC2)N1Cc1cccnc1 ZINC000096049375 473273240 /nfs/dbraw/zinc/27/32/40/473273240.db2.gz FUYUZKGQWJJFCK-UHFFFAOYSA-N 1 1 342.468 2.695 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3cccnc3)C2)CN1c1cccc(F)c1 ZINC000096050732 473273560 /nfs/dbraw/zinc/27/35/60/473273560.db2.gz PGFAWJPIUUZKFQ-LJQANCHMSA-N 1 1 325.387 2.850 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@H]1CCC12CCN(C(=O)C1CCOCC1)CC2 ZINC000096051611 473275151 /nfs/dbraw/zinc/27/51/51/473275151.db2.gz BATKMDFKMSCNAP-SFHVURJKSA-N 1 1 346.471 2.909 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](CC1CCOCC1)C2 ZINC000096050646 473273938 /nfs/dbraw/zinc/27/39/38/473273938.db2.gz QCUBQHUANMLDCE-HXUWFJFHSA-N 1 1 346.446 2.677 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(CC[C@H](C[N@@H+](C)C(C)C)O3)C2)o1 ZINC000096052310 473275536 /nfs/dbraw/zinc/27/55/36/473275536.db2.gz QTWXDAAEOHVMCC-RTBURBONSA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(CC[C@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000096052310 473275542 /nfs/dbraw/zinc/27/55/42/473275542.db2.gz QTWXDAAEOHVMCC-RTBURBONSA-N 1 1 336.476 2.678 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051188 473275703 /nfs/dbraw/zinc/27/57/03/473275703.db2.gz PMJYGVBIWDWOAJ-KRWDZBQOSA-N 1 1 345.397 2.609 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(C[C@H](C[N@@H+](C)C(C)C)CO3)C2)o1 ZINC000096051983 473276011 /nfs/dbraw/zinc/27/60/11/473276011.db2.gz YIMMSJKPSSVFQZ-MJGOQNOKSA-N 1 1 336.476 2.536 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(C[C@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000096051983 473276017 /nfs/dbraw/zinc/27/60/17/473276017.db2.gz YIMMSJKPSSVFQZ-MJGOQNOKSA-N 1 1 336.476 2.536 40 0 EFABMO Cc1noc(C)c1CN1C[C@@]2(CC[N@@H+](Cc3cccs3)C2)CC1=O ZINC000096050942 473276933 /nfs/dbraw/zinc/27/69/33/473276933.db2.gz CDBSZTQTHGNOJC-SFHVURJKSA-N 1 1 345.468 2.978 40 0 EFABMO c1cncc(OC[C@@H]2CCC[C@@]23C[N@H+](Cc2ccncc2)CCO3)c1 ZINC000096051907 473277099 /nfs/dbraw/zinc/27/70/99/473277099.db2.gz SQSMFOMFVUDGGG-AZUAARDMSA-N 1 1 339.439 2.927 40 0 EFABMO c1cncc(OC[C@@H]2CCC[C@@]23C[N@@H+](Cc2ccncc2)CCO3)c1 ZINC000096051907 473277108 /nfs/dbraw/zinc/27/71/08/473277108.db2.gz SQSMFOMFVUDGGG-AZUAARDMSA-N 1 1 339.439 2.927 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055111 473278460 /nfs/dbraw/zinc/27/84/60/473278460.db2.gz VCDMXQBQZCWDQR-SJORKVTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055111 473278465 /nfs/dbraw/zinc/27/84/65/473278465.db2.gz VCDMXQBQZCWDQR-SJORKVTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055111 473278471 /nfs/dbraw/zinc/27/84/71/473278471.db2.gz VCDMXQBQZCWDQR-SJORKVTESA-N 1 1 329.469 2.618 40 0 EFABMO C[NH+](C)C1(CNC(=O)c2c(O)cc(Cl)cc2Cl)CCOCC1 ZINC000081959457 473278511 /nfs/dbraw/zinc/27/85/11/473278511.db2.gz ODGGKIGPHVRUBJ-UHFFFAOYSA-N 1 1 347.242 2.540 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4ccsc4)CC[N@H+]3C2)n1 ZINC000096055076 473278493 /nfs/dbraw/zinc/27/84/93/473278493.db2.gz QZYJRGYUHLKPJL-RBUKOAKNSA-N 1 1 343.496 2.927 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cs1 ZINC000096055032 473279103 /nfs/dbraw/zinc/27/91/03/473279103.db2.gz JHQVMIFJKJYNCS-MSOLQXFVSA-N 1 1 329.469 2.618 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051187 473275264 /nfs/dbraw/zinc/27/52/64/473275264.db2.gz PMJYGVBIWDWOAJ-QGZVFWFLSA-N 1 1 345.397 2.609 40 0 EFABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)cs1 ZINC000096056584 473280900 /nfs/dbraw/zinc/28/09/00/473280900.db2.gz HAXIGSWAMVDUOT-IAGOWNOFSA-N 1 1 342.468 2.612 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057123 473281455 /nfs/dbraw/zinc/28/14/55/473281455.db2.gz BRHZXCNMKVQHLR-WDYCEAGBSA-N 1 1 348.512 2.952 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)o1 ZINC000096057547 473281704 /nfs/dbraw/zinc/28/17/04/473281704.db2.gz MIIRXTYHHRXXHY-KZNAEPCWSA-N 1 1 344.411 2.619 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)s1 ZINC000096058258 473283102 /nfs/dbraw/zinc/28/31/02/473283102.db2.gz LCCRXCODLTUAAK-FGTMMUONSA-N 1 1 348.512 2.810 40 0 EFABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096073277 473288818 /nfs/dbraw/zinc/28/88/18/473288818.db2.gz JOKLBSPFKZXZCK-SFHVURJKSA-N 1 1 348.487 2.762 40 0 EFABMO COc1ccc2c(c1)C1(CCN(C(=O)c3ccc[nH]3)CC1)[N@H+](C)CC2 ZINC000096079701 473291233 /nfs/dbraw/zinc/29/12/33/473291233.db2.gz VPYFGJMIZVRSAO-UHFFFAOYSA-N 1 1 339.439 2.643 40 0 EFABMO C[N@@H+](C[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccncc1F)C2)C1CC1 ZINC000096075660 473291915 /nfs/dbraw/zinc/29/19/15/473291915.db2.gz TVWAYTZYFNSRCF-DNVCBOLYSA-N 1 1 333.451 2.686 40 0 EFABMO Cc1noc(C)c1CN1CC[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC000096081447 473292369 /nfs/dbraw/zinc/29/23/69/473292369.db2.gz BEVGCEVJIQLVLI-KGLIPLIRSA-N 1 1 331.382 2.998 40 0 EFABMO O=C(NCc1cccc(F)c1)N1Cc2nc(C[NH+]3CCCC3)oc2C1 ZINC000096086754 473292661 /nfs/dbraw/zinc/29/26/61/473292661.db2.gz OYDWDMYWDYKLQX-UHFFFAOYSA-N 1 1 344.390 2.635 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)o1 ZINC000096082996 473292873 /nfs/dbraw/zinc/29/28/73/473292873.db2.gz QQEKXWPWNMWJEC-JKSUJKDBSA-N 1 1 331.441 2.728 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2csc(C)n2)o1 ZINC000096082996 473292882 /nfs/dbraw/zinc/29/28/82/473292882.db2.gz QQEKXWPWNMWJEC-JKSUJKDBSA-N 1 1 331.441 2.728 40 0 EFABMO CCCn1nccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000112674578 473293078 /nfs/dbraw/zinc/29/30/78/473293078.db2.gz JKDPEYWLUTUHQJ-KRWDZBQOSA-N 1 1 342.443 2.523 40 0 EFABMO CCCn1nccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000112674578 473293091 /nfs/dbraw/zinc/29/30/91/473293091.db2.gz JKDPEYWLUTUHQJ-KRWDZBQOSA-N 1 1 342.443 2.523 40 0 EFABMO COc1ccc(CN2CCc3c(C[N@@H+](C)C(C)C)nn(C)c3C2)cc1 ZINC000096084165 473293309 /nfs/dbraw/zinc/29/33/09/473293309.db2.gz IWCBNCLKVRPJMO-UHFFFAOYSA-N 1 1 342.487 2.827 40 0 EFABMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)CN1c1ccccn1 ZINC000096090381 473293729 /nfs/dbraw/zinc/29/37/29/473293729.db2.gz AGTJTKZPNAAYSI-LJQANCHMSA-N 1 1 325.387 2.850 40 0 EFABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096100337 473296456 /nfs/dbraw/zinc/29/64/56/473296456.db2.gz QKDJZCKEFKQOMM-OAQYLSRUSA-N 1 1 333.435 2.982 40 0 EFABMO Cc1nc(CN2CCO[C@@H]3C[N@@H+](Cc4ccsc4)C[C@@H]3C2)cs1 ZINC000096108138 473300318 /nfs/dbraw/zinc/30/03/18/473300318.db2.gz OBCJJMWLNIFXNY-DOTOQJQBSA-N 1 1 349.525 2.846 40 0 EFABMO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096107396 473300594 /nfs/dbraw/zinc/30/05/94/473300594.db2.gz WLBNTXBTCFYDNN-APWZRJJASA-N 1 1 343.402 2.818 40 0 EFABMO c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC000096108985 473301667 /nfs/dbraw/zinc/30/16/67/473301667.db2.gz PHVXPYBDPIXDBX-QAPCUYQASA-N 1 1 330.453 2.808 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC000096109084 473302439 /nfs/dbraw/zinc/30/24/39/473302439.db2.gz UAHGWMYJZISWKY-DYVFJYSZSA-N 1 1 349.431 2.513 40 0 EFABMO CO[C@@H]1CCN(Cc2scnc2C)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096108609 473302562 /nfs/dbraw/zinc/30/25/62/473302562.db2.gz ZPFLPNWUCQCLHV-GVDBMIGSSA-N 1 1 347.484 2.766 40 0 EFABMO CO[C@@H]1CC[N@H+](Cc2scnc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108609 473302570 /nfs/dbraw/zinc/30/25/70/473302570.db2.gz ZPFLPNWUCQCLHV-GVDBMIGSSA-N 1 1 347.484 2.766 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2scnc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096108609 473302576 /nfs/dbraw/zinc/30/25/76/473302576.db2.gz ZPFLPNWUCQCLHV-GVDBMIGSSA-N 1 1 347.484 2.766 40 0 EFABMO Cc1csc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)n1 ZINC000096108891 473302596 /nfs/dbraw/zinc/30/25/96/473302596.db2.gz ZXCLNHGPOGGSJZ-SJLPKXTDSA-N 1 1 345.468 2.512 40 0 EFABMO CC(C)C(=O)N1CC[C@H]2[N@@H+](C)CC[C@@]2(C(=O)Nc2ccccc2)CC1 ZINC000096145278 473313185 /nfs/dbraw/zinc/31/31/85/473313185.db2.gz GKMAEWMGSUEONV-YLJYHZDGSA-N 1 1 343.471 2.594 40 0 EFABMO CN(CC1CC1)c1ccc2ccc(C(=O)N3CCC[N@@H+](C)CC3)cn21 ZINC000096146158 473313700 /nfs/dbraw/zinc/31/37/00/473313700.db2.gz SDILRVROWCBGDN-UHFFFAOYSA-N 1 1 340.471 2.563 40 0 EFABMO O=C(CC(F)(F)F)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096157420 473316092 /nfs/dbraw/zinc/31/60/92/473316092.db2.gz FBHNOVIAKKMCNN-UHFFFAOYSA-N 1 1 341.377 2.849 40 0 EFABMO Fc1cnc(N2CCC[C@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096158309 473318036 /nfs/dbraw/zinc/31/80/36/473318036.db2.gz LODXNLGHQFWIQK-GOSISDBHSA-N 1 1 327.407 2.503 40 0 EFABMO Cn1ccnc1C[NH+]1CCC2(CCN(c3ccsc3)C2=O)CC1 ZINC000096157934 473318140 /nfs/dbraw/zinc/31/81/40/473318140.db2.gz OSJLHTWCRKWXIS-UHFFFAOYSA-N 1 1 330.457 2.501 40 0 EFABMO Cn1cccc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096158143 473318771 /nfs/dbraw/zinc/31/87/71/473318771.db2.gz FFEUSRXZANGJQI-FQEVSTJZSA-N 1 1 338.455 2.548 40 0 EFABMO C[N@@H+](Cc1cccnc1)[C@@H]1CCC[C@@H]2CN(c3ncc(F)cn3)C[C@@H]21 ZINC000096182901 473325066 /nfs/dbraw/zinc/32/50/66/473325066.db2.gz YCZHTLKOSQLUCQ-BPQIPLTHSA-N 1 1 341.434 2.748 40 0 EFABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2CCc1ccccc1 ZINC000096184585 473325545 /nfs/dbraw/zinc/32/55/45/473325545.db2.gz WPZYIYLIXDVTNZ-SJORKVTESA-N 1 1 327.453 2.675 40 0 EFABMO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)N1Cc1cccnc1 ZINC000096183984 473326209 /nfs/dbraw/zinc/32/62/09/473326209.db2.gz GDYHBNFIJPAYAR-ZWKOTPCHSA-N 1 1 325.387 2.596 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccncc3)O2)c1 ZINC000096186130 473326510 /nfs/dbraw/zinc/32/65/10/473326510.db2.gz YLHIBXRMWXGOHH-UFYCRDLUSA-N 1 1 339.439 2.815 40 0 EFABMO CC(C)[N@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 ZINC000096185633 473326608 /nfs/dbraw/zinc/32/66/08/473326608.db2.gz PXSBYEPCAAPPHQ-RYRKJORJSA-N 1 1 345.516 2.713 40 0 EFABMO O=C(NC[C@@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]21)c1ccsc1 ZINC000096185323 473326653 /nfs/dbraw/zinc/32/66/53/473326653.db2.gz DQWRYMZIZRDGCX-ZACQAIPSSA-N 1 1 346.452 2.608 40 0 EFABMO c1cncc(COC[C@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccncc3)O2)c1 ZINC000096186131 473327439 /nfs/dbraw/zinc/32/74/39/473327439.db2.gz YLHIBXRMWXGOHH-AABGKKOBSA-N 1 1 339.439 2.815 40 0 EFABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccco2)n1 ZINC000096186523 473328590 /nfs/dbraw/zinc/32/85/90/473328590.db2.gz BKISSUXOSJXEOC-QZTJIDSGSA-N 1 1 325.412 2.749 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)c1 ZINC000096186710 473329440 /nfs/dbraw/zinc/32/94/40/473329440.db2.gz JMLYYQHUMWALAU-AABGKKOBSA-N 1 1 346.471 2.647 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096187163 473329505 /nfs/dbraw/zinc/32/95/05/473329505.db2.gz JLXPRXSTWFZVNR-RYRKJORJSA-N 1 1 345.468 2.795 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@@H+](Cc1ccccn1)C2 ZINC000096189150 473330937 /nfs/dbraw/zinc/33/09/37/473330937.db2.gz FFHQVJXVERHOMH-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@H+](Cc1ccccn1)C2 ZINC000096189150 473330944 /nfs/dbraw/zinc/33/09/44/473330944.db2.gz FFHQVJXVERHOMH-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO CN1C(=O)C[C@H](c2ccncc2)C12CC[NH+](Cc1nccs1)CC2 ZINC000096199981 473335405 /nfs/dbraw/zinc/33/54/05/473335405.db2.gz ZBDMGWGVIRYHOL-OAHLLOKOSA-N 1 1 342.468 2.519 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202039 473337529 /nfs/dbraw/zinc/33/75/29/473337529.db2.gz AAFVJQUIAAJSBB-OAQYLSRUSA-N 1 1 344.499 2.698 40 0 EFABMO c1csc(C[N@@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)c1 ZINC000096202201 473337613 /nfs/dbraw/zinc/33/76/13/473337613.db2.gz AAGZFMOUTLSMBO-KRWDZBQOSA-N 1 1 349.525 2.929 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccco2)C[C@@]12COCCN(Cc1cccnc1)C2 ZINC000096202395 473338695 /nfs/dbraw/zinc/33/86/95/473338695.db2.gz RJOXHYJSRRIHPK-PXNSSMCTSA-N 1 1 341.455 2.645 40 0 EFABMO Fc1cccc(CN2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202061 473338839 /nfs/dbraw/zinc/33/88/39/473338839.db2.gz KODXQACMGQFYQC-HXUWFJFHSA-N 1 1 348.462 2.529 40 0 EFABMO Cc1csc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)n1 ZINC000096206878 473342873 /nfs/dbraw/zinc/34/28/73/473342873.db2.gz WMCYFABOLLTTHO-QAPCUYQASA-N 1 1 345.468 2.512 40 0 EFABMO O=C(NC[C@H]1CCC[C@]2(CC[N@@H+](CC3CC3)C2)O1)c1ccccc1 ZINC000096208066 473342923 /nfs/dbraw/zinc/34/29/23/473342923.db2.gz FMCBJKDTYKJMEC-UYAOXDASSA-N 1 1 328.456 2.840 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1cccc(C)n1)CC2 ZINC000096207257 473343063 /nfs/dbraw/zinc/34/30/63/473343063.db2.gz MJPPASGXKBTXNN-QGZVFWFLSA-N 1 1 345.487 2.742 40 0 EFABMO c1coc(C[N@H+]2Cc3cncn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096206479 473339782 /nfs/dbraw/zinc/33/97/82/473339782.db2.gz QSYIFLLCHCCTDR-QGZVFWFLSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3cncn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096206479 473339787 /nfs/dbraw/zinc/33/97/87/473339787.db2.gz QSYIFLLCHCCTDR-QGZVFWFLSA-N 1 1 338.411 2.720 40 0 EFABMO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccoc1)C2 ZINC000096206824 473340281 /nfs/dbraw/zinc/34/02/81/473340281.db2.gz UXSAAFRFYIWRFK-AEFFLSMTSA-N 1 1 332.375 2.874 40 0 EFABMO O=C(CCc1ccccc1)N1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC000083250778 473340955 /nfs/dbraw/zinc/34/09/55/473340955.db2.gz GITWAELRMNQJBT-LJQANCHMSA-N 1 1 330.472 2.723 40 0 EFABMO COc1ccccc1CN1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096207980 473342109 /nfs/dbraw/zinc/34/21/09/473342109.db2.gz ITOZRXVNKFPQBP-UYAOXDASSA-N 1 1 330.472 2.915 40 0 EFABMO c1coc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096207611 473342357 /nfs/dbraw/zinc/34/23/57/473342357.db2.gz WORRVQLKWSAPPR-AEFFLSMTSA-N 1 1 328.416 2.553 40 0 EFABMO COC[C@@H]1CCC2(CCN(C(=O)CCOc3ccccc3)CC2)[N@H+]1C ZINC000096209540 473344374 /nfs/dbraw/zinc/34/43/74/473344374.db2.gz FCLMSBMIOLUVOV-KRWDZBQOSA-N 1 1 346.471 2.557 40 0 EFABMO CO[C@@H]1CCN(Cc2cccc(C)n2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096208501 473344800 /nfs/dbraw/zinc/34/48/00/473344800.db2.gz WIFDCSDSBIGCPY-XUVXKRRUSA-N 1 1 341.455 2.704 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3nnc(C4CC4)o3)C2)o1 ZINC000096208638 473345187 /nfs/dbraw/zinc/34/51/87/473345187.db2.gz XELXIGOIVKFKLU-OIISXLGYSA-N 1 1 343.427 2.928 40 0 EFABMO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215391 473347129 /nfs/dbraw/zinc/34/71/29/473347129.db2.gz SFTJIOQXVFSYRU-LJQANCHMSA-N 1 1 332.444 2.634 40 0 EFABMO Cc1cnc(N2CC[C@]3(C2)CCC[N@@H+](Cc2nccs2)C3)nc1 ZINC000096215748 473347170 /nfs/dbraw/zinc/34/71/70/473347170.db2.gz KLFOLXJLOARIMR-QGZVFWFLSA-N 1 1 329.473 2.734 40 0 EFABMO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4nccn4C)C3)C2)n1 ZINC000096216122 473347205 /nfs/dbraw/zinc/34/72/05/473347205.db2.gz FYZAWXOLIJJBER-HXUWFJFHSA-N 1 1 339.487 2.612 40 0 EFABMO Cc1nnc([C@@H]2CO[C@@H]3C[N@@H+](CCOc4ccc(Cl)cc4)C[C@@H]32)o1 ZINC000096216039 473347793 /nfs/dbraw/zinc/34/77/93/473347793.db2.gz DCNRTHFAJFKLFX-BZUAXINKSA-N 1 1 349.818 2.525 40 0 EFABMO c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CN2CCOCC2)O3)cs1 ZINC000096215088 473348195 /nfs/dbraw/zinc/34/81/95/473348195.db2.gz WDASDZHUAOOVHN-ZWKOTPCHSA-N 1 1 336.501 2.594 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000096219599 473352210 /nfs/dbraw/zinc/35/22/10/473352210.db2.gz BSMISWUCEVVFHF-XJKSGUPXSA-N 1 1 334.420 2.523 40 0 EFABMO CN1C[C@@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096219830 473353374 /nfs/dbraw/zinc/35/33/74/473353374.db2.gz RJOYMGXZJGUXAV-LEWJYISDSA-N 1 1 328.500 2.909 40 0 EFABMO CN1C[C@@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096219830 473353382 /nfs/dbraw/zinc/35/33/82/473353382.db2.gz RJOYMGXZJGUXAV-LEWJYISDSA-N 1 1 328.500 2.909 40 0 EFABMO Cn1cc(N2CC[C@]3(CCC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)cn1 ZINC000096224656 473355135 /nfs/dbraw/zinc/35/51/35/473355135.db2.gz WBLNBUBCYPNKBT-IBGZPJMESA-N 1 1 342.418 2.578 40 0 EFABMO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096224560 473355756 /nfs/dbraw/zinc/35/57/56/473355756.db2.gz NDMXGLVRUUAIBV-KRWDZBQOSA-N 1 1 328.441 2.557 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccs2)C3)nc1 ZINC000096223251 473356128 /nfs/dbraw/zinc/35/61/28/473356128.db2.gz BIYGMVOIBRKRIP-YOEHRIQHSA-N 1 1 348.447 2.913 40 0 EFABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228866 473359121 /nfs/dbraw/zinc/35/91/21/473359121.db2.gz VBDZNRPKWPJAEK-HXUWFJFHSA-N 1 1 341.455 2.742 40 0 EFABMO O=C(c1cccs1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228810 473359540 /nfs/dbraw/zinc/35/95/40/473359540.db2.gz MBPWLKURJKOKIT-SFHVURJKSA-N 1 1 334.485 2.713 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ccccc2)C3)cn1 ZINC000096228953 473359563 /nfs/dbraw/zinc/35/95/63/473359563.db2.gz PBWGHAASIGABRU-FQEVSTJZSA-N 1 1 340.471 2.539 40 0 EFABMO Cc1cccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244003 473363021 /nfs/dbraw/zinc/36/30/21/473363021.db2.gz HFVIAOICEFGKNA-FQEVSTJZSA-N 1 1 338.455 2.525 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccccn2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096239672 473361901 /nfs/dbraw/zinc/36/19/01/473361901.db2.gz GKUCXUDWXLPSCA-QGZVFWFLSA-N 1 1 345.397 2.609 40 0 EFABMO O=C(c1ccsc1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259288 473367215 /nfs/dbraw/zinc/36/72/15/473367215.db2.gz PFCBUVFJOSHLIR-UHFFFAOYSA-N 1 1 330.457 2.587 40 0 EFABMO Cc1ccc(C[N@@H+]2CCc3nnc(Cn4cccc4)n3CC2)s1 ZINC000096259874 473367338 /nfs/dbraw/zinc/36/73/38/473367338.db2.gz KIYLFWJSYMZDKV-UHFFFAOYSA-N 1 1 327.457 2.556 40 0 EFABMO Cn1cc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)cn1 ZINC000096239568 473363158 /nfs/dbraw/zinc/36/31/58/473363158.db2.gz GSPNADKSXGLTNI-QGZVFWFLSA-N 1 1 347.413 2.553 40 0 EFABMO CC(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)Cc3ccsc3)CC[C@H]21 ZINC000096249252 473363497 /nfs/dbraw/zinc/36/34/97/473363497.db2.gz AGXYBPGGUCCNLS-IAGOWNOFSA-N 1 1 336.501 2.638 40 0 EFABMO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccncc2)n1 ZINC000096250073 473363888 /nfs/dbraw/zinc/36/38/88/473363888.db2.gz BFICGVMMCWLPSY-SOLBZPMBSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccncc2)n1 ZINC000096250073 473363895 /nfs/dbraw/zinc/36/38/95/473363895.db2.gz BFICGVMMCWLPSY-SOLBZPMBSA-N 1 1 345.468 2.734 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC000096245319 473364106 /nfs/dbraw/zinc/36/41/06/473364106.db2.gz JDPBLBOSMWYFNL-YJBOKZPZSA-N 1 1 343.402 2.521 40 0 EFABMO CC(C)CC[N@H+]1CCc2cc(C(=O)NC(C)C)c(N(C)C)nc2CC1 ZINC000096260349 473367773 /nfs/dbraw/zinc/36/77/73/473367773.db2.gz CWRSPXDUOAOBBP-UHFFFAOYSA-N 1 1 346.519 2.733 40 0 EFABMO CC(C)CC[N@H+]1CCc2nc(N3CCOCC3)nc(NC(C)C)c2C1 ZINC000096254296 473364756 /nfs/dbraw/zinc/36/47/56/473364756.db2.gz JQLVWKXMKPYMDI-UHFFFAOYSA-N 1 1 347.507 2.538 40 0 EFABMO c1c[nH]c(C[N@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000096250067 473364997 /nfs/dbraw/zinc/36/49/97/473364997.db2.gz KOZPOQQUUSWWFA-UKPHBRMFSA-N 1 1 333.457 2.667 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c1 ZINC000096250067 473365005 /nfs/dbraw/zinc/36/50/05/473365005.db2.gz KOZPOQQUUSWWFA-UKPHBRMFSA-N 1 1 333.457 2.667 40 0 EFABMO O=C(c1ccsc1)N1C[C@@H]2CC[N@@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096246166 473365535 /nfs/dbraw/zinc/36/55/35/473365535.db2.gz QZXMSWRNKCKDKU-DOTOQJQBSA-N 1 1 327.453 2.737 40 0 EFABMO CC(C)n1nc(C[NH+]2CCCCC2)c2c1CN(C(=O)c1ccno1)C2 ZINC000096259171 473368293 /nfs/dbraw/zinc/36/82/93/473368293.db2.gz ZWMLRFXVTVEZOY-UHFFFAOYSA-N 1 1 343.431 2.594 40 0 EFABMO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](C[C@@H]1CCOC1)C2 ZINC000096260868 473368414 /nfs/dbraw/zinc/36/84/14/473368414.db2.gz RUSURTAEFBHMCT-SFHVURJKSA-N 1 1 338.455 2.644 40 0 EFABMO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4F)C[C@@H]32)N=C1C ZINC000096261441 473368772 /nfs/dbraw/zinc/36/87/72/473368772.db2.gz YKUGHJQMJPOBSP-SIXWZSSISA-N 1 1 329.419 2.687 40 0 EFABMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCSCC1 ZINC000171364619 473371501 /nfs/dbraw/zinc/37/15/01/473371501.db2.gz RFRRGTDSFPGSFP-KRWDZBQOSA-N 1 1 347.528 2.746 40 0 EFABMO CC[N@H+]1CCCN(C(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000096405372 473381307 /nfs/dbraw/zinc/38/13/07/473381307.db2.gz GTPWWEKUCRLMKN-UHFFFAOYSA-N 1 1 349.438 2.564 40 0 EFABMO C[C@@H]1SCC[N@H+](CC(=O)NCc2ccccn2)[C@H]1c1ccccc1 ZINC000096411376 473390843 /nfs/dbraw/zinc/39/08/43/473390843.db2.gz HPSMFKJRMXIOAS-HNAYVOBHSA-N 1 1 341.480 2.876 40 0 EFABMO C[C@@H]1SCC[N@@H+](CC(=O)NCc2ccccn2)[C@H]1c1ccccc1 ZINC000096411376 473390852 /nfs/dbraw/zinc/39/08/52/473390852.db2.gz HPSMFKJRMXIOAS-HNAYVOBHSA-N 1 1 341.480 2.876 40 0 EFABMO COc1c(C)c[nH+]c(Cn2cc(C(N)=O)c(-c3ccccc3)n2)c1C ZINC000096411919 473391115 /nfs/dbraw/zinc/39/11/15/473391115.db2.gz OEBWUJZICDEZBN-UHFFFAOYSA-N 1 1 336.395 2.718 40 0 EFABMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000000121698 471326054 /nfs/dbraw/zinc/32/60/54/471326054.db2.gz XSNMHHKCQGMGIY-NVXWUHKLSA-N 1 1 343.427 2.541 40 0 EFABMO COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000000898481 471377961 /nfs/dbraw/zinc/37/79/61/471377961.db2.gz MPWZJVCAMFAIGV-ZDUSSCGKSA-N 1 1 325.364 2.882 40 0 endogenous,in-man EFABMO COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000000898481 471377964 /nfs/dbraw/zinc/37/79/64/471377964.db2.gz MPWZJVCAMFAIGV-ZDUSSCGKSA-N 1 1 325.364 2.882 40 0 endogenous,in-man EFABMO C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Br)C1 ZINC000002696120 471417604 /nfs/dbraw/zinc/41/76/04/471417604.db2.gz HRWPKBAYEVQBLV-QWHCGFSZSA-N 1 1 328.250 2.921 40 0 EFABMO CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCCCCCC1)OCO2 ZINC000004969072 471482290 /nfs/dbraw/zinc/48/22/90/471482290.db2.gz UKOMVGXKMVCKGB-UHFFFAOYSA-N 1 1 332.400 2.823 40 0 EFABMO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@H](C)C3)nc(N)c21 ZINC000007358702 471607939 /nfs/dbraw/zinc/60/79/39/471607939.db2.gz USMUVUMNDWDKME-JTQLQIEISA-N 1 1 332.404 2.522 40 0 EFABMO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@H](C)C3)nc(N)c21 ZINC000007358702 471607943 /nfs/dbraw/zinc/60/79/43/471607943.db2.gz USMUVUMNDWDKME-JTQLQIEISA-N 1 1 332.404 2.522 40 0 EFABMO CC[NH+]1CCN(c2ccc(NC(=O)C(F)(F)F)cc2Cl)CC1 ZINC000007387835 471611008 /nfs/dbraw/zinc/61/10/08/471611008.db2.gz YOVFVSMAXZYVFT-UHFFFAOYSA-N 1 1 335.757 2.983 40 0 EFABMO C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)CCOc1ccccc1 ZINC000007685342 471629913 /nfs/dbraw/zinc/62/99/13/471629913.db2.gz XFYMBKYRZNNFGS-HNNXBMFYSA-N 1 1 347.459 2.544 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000007811986 471639487 /nfs/dbraw/zinc/63/94/87/471639487.db2.gz DGAWJMLENWNHCW-TXEJJXNPSA-N 1 1 349.500 2.642 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000007811986 471639490 /nfs/dbraw/zinc/63/94/90/471639490.db2.gz DGAWJMLENWNHCW-TXEJJXNPSA-N 1 1 349.500 2.642 40 0 EFABMO COc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2C)cc1OC ZINC000007845597 471643130 /nfs/dbraw/zinc/64/31/30/471643130.db2.gz UXTIBHZFVLHUFT-UHFFFAOYSA-N 1 1 342.439 2.760 40 0 EFABMO COc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2C)cc1OC ZINC000007845597 471643135 /nfs/dbraw/zinc/64/31/35/471643135.db2.gz UXTIBHZFVLHUFT-UHFFFAOYSA-N 1 1 342.439 2.760 40 0 EFABMO C[N@@H+](CC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCCc2ccccc21 ZINC000008126601 471664536 /nfs/dbraw/zinc/66/45/36/471664536.db2.gz GAYFHICMHXUKBG-SFHVURJKSA-N 1 1 337.423 2.733 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000008319088 471681588 /nfs/dbraw/zinc/68/15/88/471681588.db2.gz MNZZOMKZJVSRPQ-KBPBESRZSA-N 1 1 336.407 2.736 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000008319088 471681590 /nfs/dbraw/zinc/68/15/90/471681590.db2.gz MNZZOMKZJVSRPQ-KBPBESRZSA-N 1 1 336.407 2.736 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000008319085 471681675 /nfs/dbraw/zinc/68/16/75/471681675.db2.gz MNZZOMKZJVSRPQ-UONOGXRCSA-N 1 1 336.407 2.736 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000008319085 471681679 /nfs/dbraw/zinc/68/16/79/471681679.db2.gz MNZZOMKZJVSRPQ-UONOGXRCSA-N 1 1 336.407 2.736 40 0 EFABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O)Nc1cccc2ccccc21 ZINC000009225505 471711978 /nfs/dbraw/zinc/71/19/78/471711978.db2.gz XTSQBPYKRQYRGP-RCCFBDPRSA-N 1 1 337.423 2.568 40 0 EFABMO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=[NH+][C@H]2[C@H]1CC=CCC1 ZINC000009426316 471716845 /nfs/dbraw/zinc/71/68/45/471716845.db2.gz YWJPGDKBNKRENO-XJKSGUPXSA-N 1 1 339.399 2.571 40 0 EFABMO COc1ccc(Cl)cc1NC(=S)NC[C@H]1CCC[N@@H+](C)C1 ZINC000009876400 471723190 /nfs/dbraw/zinc/72/31/90/471723190.db2.gz YLCWWHNOWONVBP-LLVKDONJSA-N 1 1 327.881 2.977 40 0 EFABMO COc1cccc([C@H](CNS(=O)(=O)c2ccc(C)cc2)[NH+](C)C)c1 ZINC000010091193 471728658 /nfs/dbraw/zinc/72/86/58/471728658.db2.gz ZZLFQXMEPYIIAW-SFHVURJKSA-N 1 1 348.468 2.585 40 0 EFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)CO[C@H]1CCC[C@@H]1C)CC2 ZINC000010434945 471735474 /nfs/dbraw/zinc/73/54/74/471735474.db2.gz HZKWJLGDBRNGQP-QGTPRVQTSA-N 1 1 349.471 2.628 40 0 EFABMO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012132645 471764382 /nfs/dbraw/zinc/76/43/82/471764382.db2.gz GNLHIHUWNXPISR-KRWDZBQOSA-N 1 1 344.480 2.907 40 0 EFABMO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012132645 471764386 /nfs/dbraw/zinc/76/43/86/471764386.db2.gz GNLHIHUWNXPISR-KRWDZBQOSA-N 1 1 344.480 2.907 40 0 EFABMO CCc1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)o1 ZINC000012121903 471764520 /nfs/dbraw/zinc/76/45/20/471764520.db2.gz GGZLPRWCMQTMER-UHFFFAOYSA-N 1 1 336.395 2.958 40 0 EFABMO CCc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)o1 ZINC000012121903 471764526 /nfs/dbraw/zinc/76/45/26/471764526.db2.gz GGZLPRWCMQTMER-UHFFFAOYSA-N 1 1 336.395 2.958 40 0 EFABMO c1cncc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1 ZINC000012148070 471766746 /nfs/dbraw/zinc/76/67/46/471766746.db2.gz YFUIPFVJRZLAOC-KRWDZBQOSA-N 1 1 326.396 2.992 40 0 EFABMO c1cncc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c1 ZINC000012148070 471766750 /nfs/dbraw/zinc/76/67/50/471766750.db2.gz YFUIPFVJRZLAOC-KRWDZBQOSA-N 1 1 326.396 2.992 40 0 EFABMO Cc1cc(C)n(-c2cccc(C[N@@H+](CCO)Cc3cccnc3)c2)n1 ZINC000012144449 471766773 /nfs/dbraw/zinc/76/67/73/471766773.db2.gz JCIGAXJOWWIASP-UHFFFAOYSA-N 1 1 336.439 2.879 40 0 EFABMO COc1ccc(C[N@@H+](C[C@H]2CCOC2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187176 471767971 /nfs/dbraw/zinc/76/79/71/471767971.db2.gz ODTFRTHVZFTDRK-QAPCUYQASA-N 1 1 335.444 2.721 40 0 EFABMO O=C1NC2(CC[NH+](Cc3ccccc3F)CC2)Oc2ccccc21 ZINC000012183416 471768230 /nfs/dbraw/zinc/76/82/30/471768230.db2.gz RQDHOKDXUIPOGI-UHFFFAOYSA-N 1 1 326.371 2.940 40 0 EFABMO CNc1ncccc1CN1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000012240990 471768807 /nfs/dbraw/zinc/76/88/07/471768807.db2.gz SBJWEEOKRLCNCE-KRWDZBQOSA-N 1 1 338.455 2.559 40 0 EFABMO Cc1ccc(C2(O)CC[NH+](CCNC(=O)c3cccs3)CC2)cc1 ZINC000012326345 471772046 /nfs/dbraw/zinc/77/20/46/471772046.db2.gz OWTQDOPIKOSJHK-UHFFFAOYSA-N 1 1 344.480 2.770 40 0 EFABMO Fc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000013989959 471846523 /nfs/dbraw/zinc/84/65/23/471846523.db2.gz YBQNEJMLEIUOAX-UHFFFAOYSA-N 1 1 343.446 2.945 40 0 EFABMO COc1cc2cc(C[NH2+]Cc3ccc(C)o3)c(=O)[nH]c2cc1OC ZINC000013998463 471847318 /nfs/dbraw/zinc/84/73/18/471847318.db2.gz BWQCOHGAGXXJBL-UHFFFAOYSA-N 1 1 328.368 2.737 40 0 EFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)Nc1ccccc1 ZINC000014120642 471853799 /nfs/dbraw/zinc/85/37/99/471853799.db2.gz MAMFRWMIMHOJSN-UHFFFAOYSA-N 1 1 325.412 2.841 40 0 EFABMO CC(C)[N@@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675134 471913957 /nfs/dbraw/zinc/91/39/57/471913957.db2.gz ARBZXACSEVYTKV-OCCSQVGLSA-N 1 1 339.798 2.969 40 0 biogenic,in-vitro EFABMO CC(C)[N@H+]1C[C@H](O)C[C@H]1c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000015675134 471913962 /nfs/dbraw/zinc/91/39/62/471913962.db2.gz ARBZXACSEVYTKV-OCCSQVGLSA-N 1 1 339.798 2.969 40 0 biogenic,in-vitro EFABMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000017296892 471959739 /nfs/dbraw/zinc/95/97/39/471959739.db2.gz RGKJDDDODPIFDE-ZWKOTPCHSA-N 1 1 349.471 2.627 40 0 EFABMO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401710 471980286 /nfs/dbraw/zinc/98/02/86/471980286.db2.gz LDJWXELWRJIEJK-INIZCTEOSA-N 1 1 347.422 2.607 40 0 EFABMO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)nc(-c2cccnc2)[nH]1 ZINC000019401725 471980402 /nfs/dbraw/zinc/98/04/02/471980402.db2.gz MXUIQLOZSGDMTG-SFHVURJKSA-N 1 1 347.422 2.954 40 0 EFABMO O=c1cc([C@@H]2CCCC[N@H+]2Cc2ccccn2)nc(-c2cccnc2)[nH]1 ZINC000019401725 471980409 /nfs/dbraw/zinc/98/04/09/471980409.db2.gz MXUIQLOZSGDMTG-SFHVURJKSA-N 1 1 347.422 2.954 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@H](c3ccc4c(N)ncnc4n3)C2)cc1 ZINC000019704880 471983486 /nfs/dbraw/zinc/98/34/86/471983486.db2.gz RTLVFXRYIWPSSV-CQSZACIVSA-N 1 1 335.411 2.605 40 0 EFABMO C[C@@H](C[NH+]1CCOCC1)n1cncc1-c1ccc2c(c1)CCCN2C ZINC000019719944 471984594 /nfs/dbraw/zinc/98/45/94/471984594.db2.gz MQOJIJPCRNXALD-INIZCTEOSA-N 1 1 340.471 2.826 40 0 EFABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC000035424993 471996420 /nfs/dbraw/zinc/99/64/20/471996420.db2.gz RPBQZTWKXDKPTP-HNNXBMFYSA-N 1 1 346.431 2.950 40 0 biogenic,in-vitro EFABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC(C)C)n2)cn1 ZINC000035425190 471996841 /nfs/dbraw/zinc/99/68/41/471996841.db2.gz WGEUSVPWSRDCMP-HNNXBMFYSA-N 1 1 345.447 2.983 40 0 biogenic,in-vitro EFABMO CCC[N@H+]1CCC[C@H]1c1nc(-c2ccnc(OCCOC)c2)no1 ZINC000035424802 471996880 /nfs/dbraw/zinc/99/68/80/471996880.db2.gz MELZJDXHESHMIG-AWEZNQCLSA-N 1 1 332.404 2.704 40 0 biogenic,in-vitro EFABMO Cc1cc(Nc2ccc(I)cc2)nc(N)[nH+]1 ZINC000038356135 472018735 /nfs/dbraw/zinc/01/87/35/472018735.db2.gz ORMUAOAVOKJFME-UHFFFAOYSA-N 1 1 326.141 2.715 40 0 EFABMO C[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000041019114 472042978 /nfs/dbraw/zinc/04/29/78/472042978.db2.gz HOJLKLMIOKJYBD-UHFFFAOYSA-N 1 1 333.819 2.702 40 0 EFABMO COc1cccc([C@H](C)CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000084578497 472195549 /nfs/dbraw/zinc/19/55/49/472195549.db2.gz YZKYUJSSIZDCMI-VQIMIIECSA-N 1 1 346.471 2.512 40 0 EFABMO O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000028226202 472217467 /nfs/dbraw/zinc/21/74/67/472217467.db2.gz YLWFLCUILPKKSW-OAHLLOKOSA-N 1 1 344.386 2.918 40 0 EFABMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000085468210 472251718 /nfs/dbraw/zinc/25/17/18/472251718.db2.gz KYQMSCAJKFHCIW-OAHLLOKOSA-N 1 1 349.906 2.828 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)C1 ZINC000044080860 472284160 /nfs/dbraw/zinc/28/41/60/472284160.db2.gz BBINOEVWBUOQDQ-CQSZACIVSA-N 1 1 349.500 2.866 40 0 EFABMO Cc1noc(C)c1CCC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116668237 472425109 /nfs/dbraw/zinc/42/51/09/472425109.db2.gz NMTVTYCXPYZATG-UHFFFAOYSA-N 1 1 342.443 2.713 40 0 EFABMO C[N@@H+](CCc1cccc(Br)c1)C1CCS(=O)CC1 ZINC000097095416 472444144 /nfs/dbraw/zinc/44/41/44/472444144.db2.gz SCHBZAOKSXWCAW-UHFFFAOYSA-N 1 1 330.291 2.835 40 0 EFABMO Cc1cc(C)n(-c2ccc(-c3noc(C[N@@H+]4CCC[C@@H]4C)n3)cn2)n1 ZINC000097104549 472448056 /nfs/dbraw/zinc/44/80/56/472448056.db2.gz GSZJDJLGBRMMSF-ZDUSSCGKSA-N 1 1 338.415 2.918 40 0 EFABMO Cn1cc(CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cn1 ZINC000097229082 472484221 /nfs/dbraw/zinc/48/42/21/472484221.db2.gz RHKPHLIRVCMUMC-UHFFFAOYSA-N 1 1 332.423 2.841 40 0 EFABMO CC1([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)nc3)C2)OCCO1 ZINC000097373158 472492826 /nfs/dbraw/zinc/49/28/26/472492826.db2.gz KEEILDOLBXFEQV-QGZVFWFLSA-N 1 1 331.460 2.657 40 0 EFABMO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Br)cc1F ZINC000129628728 472555871 /nfs/dbraw/zinc/55/58/71/472555871.db2.gz DCFXWGZVGRFHQD-SECBINFHSA-N 1 1 329.213 2.765 40 0 EFABMO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000058525653 472579292 /nfs/dbraw/zinc/57/92/92/472579292.db2.gz OBKCCPQDQFVGDE-INIZCTEOSA-N 1 1 342.443 2.681 40 0 EFABMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000058525653 472579296 /nfs/dbraw/zinc/57/92/96/472579296.db2.gz OBKCCPQDQFVGDE-INIZCTEOSA-N 1 1 342.443 2.681 40 0 EFABMO C[N@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216447 472634318 /nfs/dbraw/zinc/63/43/18/472634318.db2.gz SRTFMEMUFVKIDP-INIZCTEOSA-N 1 1 346.475 2.905 40 0 EFABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227097 472634466 /nfs/dbraw/zinc/63/44/66/472634466.db2.gz BLOTWHWMIMUAQQ-OALUTQOASA-N 1 1 340.423 2.677 40 0 EFABMO COc1cccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)c1 ZINC000072227734 472634968 /nfs/dbraw/zinc/63/49/68/472634968.db2.gz CQQJLMVZNQWKEK-LSDHHAIUSA-N 1 1 347.212 2.873 40 0 EFABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000072227145 472635198 /nfs/dbraw/zinc/63/51/98/472635198.db2.gz HXQJMUKTDNARAQ-CABCVRRESA-N 1 1 347.212 2.873 40 0 EFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1Cl ZINC000072227692 472635331 /nfs/dbraw/zinc/63/53/31/472635331.db2.gz DJYCJPQFAIWNAT-HZPDHXFCSA-N 1 1 330.771 2.526 40 0 EFABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000072227956 472636023 /nfs/dbraw/zinc/63/60/23/472636023.db2.gz IGZUWZPIIAMLEA-HZPDHXFCSA-N 1 1 332.787 2.772 40 0 EFABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](C2CCCC2)C3)C1 ZINC000072390888 472663454 /nfs/dbraw/zinc/66/34/54/472663454.db2.gz PTSAUMVBWAZQIV-HNNXBMFYSA-N 1 1 328.460 2.503 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2nccnc2-c2ccccc2OC)C1 ZINC000072358499 472663624 /nfs/dbraw/zinc/66/36/24/472663624.db2.gz PCCAWPMMOOOOGW-HNNXBMFYSA-N 1 1 327.428 2.978 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000060643919 472673370 /nfs/dbraw/zinc/67/33/70/472673370.db2.gz MFADYMDLENPFCY-QGZVFWFLSA-N 1 1 340.471 2.783 40 0 EFABMO CCn1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000091013907 472675344 /nfs/dbraw/zinc/67/53/44/472675344.db2.gz FYHIKDKGUPDYFX-NVXWUHKLSA-N 1 1 326.444 2.728 40 0 EFABMO COc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000062090653 472728784 /nfs/dbraw/zinc/72/87/84/472728784.db2.gz PQZUVNNOQJWYRH-SFHVURJKSA-N 1 1 328.412 2.623 40 0 EFABMO Cc1csc(=O)n1CC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776786 472769040 /nfs/dbraw/zinc/76/90/40/472769040.db2.gz ZARGOPYAOVGVTO-CQSZACIVSA-N 1 1 342.468 2.974 40 0 EFABMO O=C1OCCN1CCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000078776793 472769177 /nfs/dbraw/zinc/76/91/77/472769177.db2.gz SSGQEPDVALSQNZ-CQSZACIVSA-N 1 1 328.416 2.585 40 0 EFABMO C[N@H+]1CCC[C@]2(CN(C(=O)c3ccccc3C(F)(F)F)CCO2)C1 ZINC000063527668 472787042 /nfs/dbraw/zinc/78/70/42/472787042.db2.gz SUESVJBFXPQTLJ-MRXNPFEDSA-N 1 1 342.361 2.642 40 0 EFABMO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000079049950 472811244 /nfs/dbraw/zinc/81/12/44/472811244.db2.gz FDCKEYBCHXUKIZ-QGZVFWFLSA-N 1 1 335.411 2.583 40 0 EFABMO Cc1cccc(Cl)c1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133635474 472825863 /nfs/dbraw/zinc/82/58/63/472825863.db2.gz KCOLWFDGAQLRRE-AWEZNQCLSA-N 1 1 337.851 2.834 40 0 EFABMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)c3c(C)nn(C)c3C)sc2C1 ZINC000079320634 472848326 /nfs/dbraw/zinc/84/83/26/472848326.db2.gz QZFOBEPYDVCYEF-SNVBAGLBSA-N 1 1 347.488 2.614 40 0 EFABMO CC[N@H+]1CCc2nc(NC(=O)[C@H](C)c3c(C)nn(C)c3C)sc2C1 ZINC000079320634 472848330 /nfs/dbraw/zinc/84/83/30/472848330.db2.gz QZFOBEPYDVCYEF-SNVBAGLBSA-N 1 1 347.488 2.614 40 0 EFABMO O=C(N[C@@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390937 472857131 /nfs/dbraw/zinc/85/71/31/472857131.db2.gz NZZLMXNIPUTZKV-QZTJIDSGSA-N 1 1 332.444 2.681 40 0 EFABMO CC(C)[N@@H+](CCN)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391844 472857398 /nfs/dbraw/zinc/85/73/98/472857398.db2.gz NUHFTLWJSTUUON-UHFFFAOYSA-N 1 1 333.476 2.704 40 0 EFABMO CC(C)N(CC[NH3+])CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079391844 472857405 /nfs/dbraw/zinc/85/74/05/472857405.db2.gz NUHFTLWJSTUUON-UHFFFAOYSA-N 1 1 333.476 2.704 40 0 EFABMO CC(C)N(C[C@H]1CCC[N@@H+](CCO)C1)C(=O)OCc1ccccc1 ZINC000079411182 472859923 /nfs/dbraw/zinc/85/99/23/472859923.db2.gz YNNSDPVHILXRRQ-SFHVURJKSA-N 1 1 334.460 2.738 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncccn4)CC3)C2)cc1 ZINC000107061659 472925402 /nfs/dbraw/zinc/92/54/02/472925402.db2.gz DJHODJIFFZZLSQ-UHFFFAOYSA-N 1 1 338.455 2.656 40 0 EFABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cn[nH]c1 ZINC000080563803 473048306 /nfs/dbraw/zinc/04/83/06/473048306.db2.gz BLWMPGAMPIFEON-UHFFFAOYSA-N 1 1 339.399 2.956 40 0 EFABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Nc1cn[nH]c1 ZINC000080563803 473048312 /nfs/dbraw/zinc/04/83/12/473048312.db2.gz BLWMPGAMPIFEON-UHFFFAOYSA-N 1 1 339.399 2.956 40 0 EFABMO C[N@@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@@H](c2ccccc2)C1 ZINC000066234589 473062382 /nfs/dbraw/zinc/06/23/82/473062382.db2.gz DAEHSMWHKNUKHG-LJQANCHMSA-N 1 1 339.439 2.633 40 0 EFABMO C[N@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@@H](c2ccccc2)C1 ZINC000066234589 473062388 /nfs/dbraw/zinc/06/23/88/473062388.db2.gz DAEHSMWHKNUKHG-LJQANCHMSA-N 1 1 339.439 2.633 40 0 EFABMO CN1CCN(c2ncc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)cn2)CC1 ZINC000093439500 473106993 /nfs/dbraw/zinc/10/69/93/473106993.db2.gz KELSAXKCKBOSSW-FQEVSTJZSA-N 1 1 341.503 2.551 40 0 EFABMO O=C1NCCCN1C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000093669545 473131843 /nfs/dbraw/zinc/13/18/43/473131843.db2.gz KNFFSXQCZVEDAF-UHFFFAOYSA-N 1 1 325.815 2.859 40 0 EFABMO COc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000093683171 473133068 /nfs/dbraw/zinc/13/30/68/473133068.db2.gz YGAXZQZUKPATPB-ZDUSSCGKSA-N 1 1 330.350 2.586 40 0 EFABMO Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)Nc3ccccc3)CC2)n1 ZINC000075162642 473143673 /nfs/dbraw/zinc/14/36/73/473143673.db2.gz YCFKNHTZMXVERP-UHFFFAOYSA-N 1 1 341.459 2.740 40 0 EFABMO COc1ccccc1NC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093817238 473148044 /nfs/dbraw/zinc/14/80/44/473148044.db2.gz CQLNPBBSJOAMDC-UHFFFAOYSA-N 1 1 345.468 2.932 40 0 EFABMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000110607771 473165099 /nfs/dbraw/zinc/16/50/99/473165099.db2.gz HZCOUIMAMBKLQS-MLGOLLRUSA-N 1 1 342.443 2.852 40 0 EFABMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000110672116 473170032 /nfs/dbraw/zinc/17/00/32/473170032.db2.gz HILXCUYLIQNYJQ-UONOGXRCSA-N 1 1 333.398 2.987 40 0 EFABMO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1C(=O)N(C)C ZINC000110686021 473170819 /nfs/dbraw/zinc/17/08/19/473170819.db2.gz SNPZSEBPSANLSW-RHSMWYFYSA-N 1 1 346.475 2.501 40 0 EFABMO COc1ccc(C[C@H](C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000110695703 473172392 /nfs/dbraw/zinc/17/23/92/473172392.db2.gz GCBRCEYZHIMEER-TXPKVOOTSA-N 1 1 347.503 2.855 40 0 EFABMO COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@H]1CCOC1 ZINC000110700049 473172766 /nfs/dbraw/zinc/17/27/66/473172766.db2.gz LWYWUJSGURQPAP-BXUZGUMPSA-N 1 1 342.233 2.632 40 0 EFABMO COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000110700049 473172772 /nfs/dbraw/zinc/17/27/72/473172772.db2.gz LWYWUJSGURQPAP-BXUZGUMPSA-N 1 1 342.233 2.632 40 0 EFABMO C[C@@H]1C[C@H](NCc2nnc3ccccn32)C[N@@H+](Cc2ccccc2)C1 ZINC000136892898 473183390 /nfs/dbraw/zinc/18/33/90/473183390.db2.gz AEEXITJTXLTQPL-AEFFLSMTSA-N 1 1 335.455 2.730 40 0 EFABMO C[C@@H]1C[C@H]([NH2+]Cc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136892898 473183397 /nfs/dbraw/zinc/18/33/97/473183397.db2.gz AEEXITJTXLTQPL-AEFFLSMTSA-N 1 1 335.455 2.730 40 0 EFABMO C[C@@H](O)C[N@@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101102 473189546 /nfs/dbraw/zinc/18/95/46/473189546.db2.gz IVMIZRRGJJXTJM-GOSISDBHSA-N 1 1 343.467 2.873 40 0 EFABMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)cn2C)C1 ZINC000081361533 473191262 /nfs/dbraw/zinc/19/12/62/473191262.db2.gz YEFZTCGDMXRCJI-LBPRGKRZSA-N 1 1 342.281 2.592 40 0 EFABMO O=C(N[C@@H]1C[C@H]1C1CCCCC1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000095405366 473198140 /nfs/dbraw/zinc/19/81/40/473198140.db2.gz DYDQLEBLACJIKA-RBUKOAKNSA-N 1 1 349.519 2.852 40 0 EFABMO CC(C)(C)C[N@@H+](CCO)Cc1nc2cc(Br)cnc2[nH]1 ZINC000096412959 473392207 /nfs/dbraw/zinc/39/22/07/473392207.db2.gz CZNPZLKUCTWATI-UHFFFAOYSA-N 1 1 341.253 2.561 40 0 EFABMO C[C@H]1C[C@@H](N(C)C(=O)COCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000096413966 473392962 /nfs/dbraw/zinc/39/29/62/473392962.db2.gz GSJZLFRBJYMDHX-LPHOPBHVSA-N 1 1 330.472 2.925 40 0 EFABMO COc1ccc(OC)c2c1C[N@@H+](CCc1scnc1C)C[C@H]2O ZINC000096414821 473394059 /nfs/dbraw/zinc/39/40/59/473394059.db2.gz AHTUNKJKMIGCAZ-CYBMUJFWSA-N 1 1 334.441 2.560 40 0 EFABMO C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000096414970 473394388 /nfs/dbraw/zinc/39/43/88/473394388.db2.gz NKDBVGAVCOFFDP-HOCLYGCPSA-N 1 1 332.419 2.731 40 0 EFABMO C[C@@H](C(=O)N1CCCC1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000096414970 473394395 /nfs/dbraw/zinc/39/43/95/473394395.db2.gz NKDBVGAVCOFFDP-HOCLYGCPSA-N 1 1 332.419 2.731 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@@H]2CN2CCCC2)C1 ZINC000096424194 473402049 /nfs/dbraw/zinc/40/20/49/473402049.db2.gz CSRGGITVCGAXDQ-IAGOWNOFSA-N 1 1 337.508 2.804 40 0 EFABMO CC(C)(C)OC(=O)N1CC[C@H](CN2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000096424194 473402055 /nfs/dbraw/zinc/40/20/55/473402055.db2.gz CSRGGITVCGAXDQ-IAGOWNOFSA-N 1 1 337.508 2.804 40 0 EFABMO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424309 473402318 /nfs/dbraw/zinc/40/23/18/473402318.db2.gz ATRFTBDBEAFKDS-KUHUBIRLSA-N 1 1 347.409 2.772 40 0 EFABMO COC(=O)c1cccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424328 473402530 /nfs/dbraw/zinc/40/25/30/473402530.db2.gz CVXFCLGHFAZALU-INIZCTEOSA-N 1 1 339.439 2.747 40 0 EFABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cnccn1 ZINC000096423829 473403016 /nfs/dbraw/zinc/40/30/16/473403016.db2.gz FXNXKWQFLXIKTF-UHFFFAOYSA-N 1 1 336.395 2.632 40 0 EFABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cnccn1 ZINC000096423829 473403025 /nfs/dbraw/zinc/40/30/25/473403025.db2.gz FXNXKWQFLXIKTF-UHFFFAOYSA-N 1 1 336.395 2.632 40 0 EFABMO CC(C)CC(=O)Nc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1F ZINC000096426421 473405205 /nfs/dbraw/zinc/40/52/05/473405205.db2.gz CXKMXAPPIWEWBA-AWEZNQCLSA-N 1 1 349.450 2.834 40 0 EFABMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096430900 473409639 /nfs/dbraw/zinc/40/96/39/473409639.db2.gz OXPSKNNQQNLIFW-CYBMUJFWSA-N 1 1 340.427 2.638 40 0 EFABMO C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435885 473415185 /nfs/dbraw/zinc/41/51/85/473415185.db2.gz FALIYFLAPBQPSU-QFBILLFUSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435885 473415189 /nfs/dbraw/zinc/41/51/89/473415189.db2.gz FALIYFLAPBQPSU-QFBILLFUSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436384 473416390 /nfs/dbraw/zinc/41/63/90/473416390.db2.gz CIGSBHIZKVZXKV-ZBFHGGJFSA-N 1 1 345.468 2.611 40 0 EFABMO C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436384 473416395 /nfs/dbraw/zinc/41/63/95/473416395.db2.gz CIGSBHIZKVZXKV-ZBFHGGJFSA-N 1 1 345.468 2.611 40 0 EFABMO C[C@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436381 473416921 /nfs/dbraw/zinc/41/69/21/473416921.db2.gz CIGSBHIZKVZXKV-GOEBONIOSA-N 1 1 345.468 2.611 40 0 EFABMO C[C@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1nccs1 ZINC000096436381 473416927 /nfs/dbraw/zinc/41/69/27/473416927.db2.gz CIGSBHIZKVZXKV-GOEBONIOSA-N 1 1 345.468 2.611 40 0 EFABMO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000096439868 473417554 /nfs/dbraw/zinc/41/75/54/473417554.db2.gz MUABDEMJMCWDES-GUDVDZBRSA-N 1 1 345.487 2.512 40 0 EFABMO CSCC[C@H](C)NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000096440499 473418863 /nfs/dbraw/zinc/41/88/63/473418863.db2.gz WYGGACHRRKGJQM-AWEZNQCLSA-N 1 1 336.505 2.800 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000096441626 473420146 /nfs/dbraw/zinc/42/01/46/473420146.db2.gz PIZODYGCOLNQSV-GFCCVEGCSA-N 1 1 348.340 2.725 40 0 EFABMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000096443995 473420851 /nfs/dbraw/zinc/42/08/51/473420851.db2.gz ZTLMMPOBYKKATA-ZWKOTPCHSA-N 1 1 343.471 2.941 40 0 EFABMO Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000096443303 473421330 /nfs/dbraw/zinc/42/13/30/473421330.db2.gz DBOSNMQGTFPKOV-INIZCTEOSA-N 1 1 331.460 2.560 40 0 EFABMO CC[N@H+]1CCCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000096445282 473422130 /nfs/dbraw/zinc/42/21/30/473422130.db2.gz WCPUDGXTMGNQPE-AWEZNQCLSA-N 1 1 346.500 2.911 40 0 EFABMO CC[N@H+]1CCCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)CC1 ZINC000096445284 473422195 /nfs/dbraw/zinc/42/21/95/473422195.db2.gz WCPUDGXTMGNQPE-CQSZACIVSA-N 1 1 346.500 2.911 40 0 EFABMO C[C@@H](CNC(=O)N(C)Cc1cc2ccccc2o1)C[NH+]1CCOCC1 ZINC000096446144 473424145 /nfs/dbraw/zinc/42/41/45/473424145.db2.gz ILBMZJIHVCMMJS-HNNXBMFYSA-N 1 1 345.443 2.543 40 0 EFABMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000096451208 473427136 /nfs/dbraw/zinc/42/71/36/473427136.db2.gz MVKUORFKUHHYEP-GDBMZVCRSA-N 1 1 342.395 2.665 40 0 EFABMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000096451209 473427982 /nfs/dbraw/zinc/42/79/82/473427982.db2.gz MVKUORFKUHHYEP-ZBFHGGJFSA-N 1 1 342.395 2.665 40 0 EFABMO Cc1cc(N2CCC(NC(=O)Cc3ccccc3F)CC2)nc(C)[nH+]1 ZINC000096454885 473430709 /nfs/dbraw/zinc/43/07/09/473430709.db2.gz XZTGQYBRWOTYOB-UHFFFAOYSA-N 1 1 342.418 2.560 40 0 EFABMO CC(C)S(=O)(=O)CC[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000096455301 473431608 /nfs/dbraw/zinc/43/16/08/473431608.db2.gz VYTFIRFGBJTBJF-UHFFFAOYSA-N 1 1 331.522 2.869 40 0 EFABMO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000096461931 473433345 /nfs/dbraw/zinc/43/33/45/473433345.db2.gz WEVVDIYGADOERQ-UGSOOPFHSA-N 1 1 338.398 2.597 40 0 EFABMO COc1ccc(C[NH+]2CCN(C)CC2)cc1NCc1scnc1C ZINC000096482868 473442428 /nfs/dbraw/zinc/44/24/28/473442428.db2.gz BBUYDYVUGZUBEG-UHFFFAOYSA-N 1 1 346.500 2.820 40 0 EFABMO Cc1[nH+]ccn1CCCN1C(=O)N[C@](C)(c2ccc(C)cc2C)C1=O ZINC000096490080 473445790 /nfs/dbraw/zinc/44/57/90/473445790.db2.gz DGCDUXNPHXGTRU-LJQANCHMSA-N 1 1 340.427 2.666 40 0 EFABMO C[C@@H](CCNC(=O)N1CCOCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000096490533 473445914 /nfs/dbraw/zinc/44/59/14/473445914.db2.gz KTNMVUBAXXZAAG-IRXDYDNUSA-N 1 1 333.476 2.717 40 0 EFABMO O=C([C@@H]1CCC[N@@H+](Cc2coc3ccccc23)C1)N1CCOCC1 ZINC000096489563 473446276 /nfs/dbraw/zinc/44/62/76/473446276.db2.gz DFIFRVXFIOXWPL-OAHLLOKOSA-N 1 1 328.412 2.504 40 0 EFABMO CCOC[C@@H]1CC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000096490070 473446403 /nfs/dbraw/zinc/44/64/03/473446403.db2.gz HCSHAMATOVPXRP-GFCCVEGCSA-N 1 1 338.814 2.918 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000096490070 473446404 /nfs/dbraw/zinc/44/64/04/473446404.db2.gz HCSHAMATOVPXRP-GFCCVEGCSA-N 1 1 338.814 2.918 40 0 EFABMO C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096500864 473452875 /nfs/dbraw/zinc/45/28/75/473452875.db2.gz CPOZXWSTQPAXDA-KFKAGJAMSA-N 1 1 345.487 2.631 40 0 EFABMO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nnnn1CC(F)(F)F ZINC000191062510 473468969 /nfs/dbraw/zinc/46/89/69/473468969.db2.gz XQUYGMIWAQBWFF-HNNXBMFYSA-N 1 1 339.365 2.833 40 0 EFABMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000191062510 473468975 /nfs/dbraw/zinc/46/89/75/473468975.db2.gz XQUYGMIWAQBWFF-HNNXBMFYSA-N 1 1 339.365 2.833 40 0 EFABMO CCOC(=O)c1csc(C2CC[NH+](Cc3cnn(CC)c3)CC2)n1 ZINC000192036389 473613239 /nfs/dbraw/zinc/61/32/39/473613239.db2.gz MDRGPSVCYHNVHE-UHFFFAOYSA-N 1 1 348.472 2.916 40 0 EFABMO Fc1cccnc1N1CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000127652613 473637416 /nfs/dbraw/zinc/63/74/16/473637416.db2.gz BEUMSVYVPZQWGF-NVXWUHKLSA-N 1 1 337.402 2.902 40 0 EFABMO Cc1c(Cl)cccc1C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000194580205 473921482 /nfs/dbraw/zinc/92/14/82/473921482.db2.gz GBCLTAQIJAHWKI-UHFFFAOYSA-N 1 1 346.862 2.730 40 0 EFABMO Cc1c(Cl)cccc1C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000194580205 473921493 /nfs/dbraw/zinc/92/14/93/473921493.db2.gz GBCLTAQIJAHWKI-UHFFFAOYSA-N 1 1 346.862 2.730 40 0 EFABMO COC[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000194627704 473928130 /nfs/dbraw/zinc/92/81/30/473928130.db2.gz NAKSYSRMAGIPPI-CVEARBPZSA-N 1 1 337.851 2.517 40 0 EFABMO CC[C@]1(C)CN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCO1 ZINC000188077042 473973515 /nfs/dbraw/zinc/97/35/15/473973515.db2.gz RVFJBIHVOXIPST-LJQANCHMSA-N 1 1 346.475 2.569 40 0 EFABMO COc1cc(CN2CC[NH+]([C@H](C)c3ccccn3)CC2)ccc1O ZINC000194993788 473987714 /nfs/dbraw/zinc/98/77/14/473987714.db2.gz AVZXEBBDESYSDR-OAHLLOKOSA-N 1 1 327.428 2.675 40 0 EFABMO Cc1cc(C)c(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000188181899 474011123 /nfs/dbraw/zinc/01/11/23/474011123.db2.gz HZFSQLCAOODZBT-FQEVSTJZSA-N 1 1 342.439 2.605 40 0 EFABMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039700 /nfs/dbraw/zinc/03/97/00/474039700.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039706 /nfs/dbraw/zinc/03/97/06/474039706.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 1 1 331.489 2.756 40 0 EFABMO Cc1ncsc1CN(C)C[C@H]1CC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000195248720 474039712 /nfs/dbraw/zinc/03/97/12/474039712.db2.gz WBYZORUJUFCYPI-LSDHHAIUSA-N 1 1 331.489 2.756 40 0 EFABMO c1ccn2c(c1)nnc2C1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000195530041 474088533 /nfs/dbraw/zinc/08/85/33/474088533.db2.gz XHHPYTWAAWHPLY-UHFFFAOYSA-N 1 1 349.442 2.504 40 0 EFABMO O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCC[N@H+]1CCC1OCCO1 ZINC000195565963 474097483 /nfs/dbraw/zinc/09/74/83/474097483.db2.gz FACFJIYHIULGGM-HNNXBMFYSA-N 1 1 340.370 2.521 40 0 EFABMO COc1ccc(CCC[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1F ZINC000195573082 474099026 /nfs/dbraw/zinc/09/90/26/474099026.db2.gz ZDILYBXXQLEIEZ-LJQANCHMSA-N 1 1 347.434 2.748 40 0 EFABMO COc1ccc(CCC[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1F ZINC000195573082 474099034 /nfs/dbraw/zinc/09/90/34/474099034.db2.gz ZDILYBXXQLEIEZ-LJQANCHMSA-N 1 1 347.434 2.748 40 0 EFABMO Fc1cc2ncnc(N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)c2cc1F ZINC000247562412 474183633 /nfs/dbraw/zinc/18/36/33/474183633.db2.gz ZEEMXXMUYPRTBB-PLQHRBFRSA-N 1 1 330.382 2.829 40 0 EFABMO O=C(C1CC[NH+](Cc2cc(F)ccc2Cl)CC1)N1CCOCC1 ZINC000188821269 474207196 /nfs/dbraw/zinc/20/71/96/474207196.db2.gz JTGSWTCNZVSKLE-UHFFFAOYSA-N 1 1 340.826 2.550 40 0 EFABMO O=C(CCc1c(Cl)cccc1Cl)NCCC[NH+]1CCOCC1 ZINC000225359870 474208174 /nfs/dbraw/zinc/20/81/74/474208174.db2.gz FJMOPKVYTUTZFN-UHFFFAOYSA-N 1 1 345.270 2.765 40 0 EFABMO COc1ccc2c(c1)C[N@@H+](Cc1cccnc1)CC[C@H]1COC(=O)N21 ZINC000225490745 474217638 /nfs/dbraw/zinc/21/76/38/474217638.db2.gz NNONUZCIBKZTAZ-INIZCTEOSA-N 1 1 339.395 2.821 40 0 biogenic,in-vitro EFABMO COc1ccc2c(c1)C[N@H+](Cc1cccnc1)CC[C@H]1COC(=O)N21 ZINC000225490745 474217645 /nfs/dbraw/zinc/21/76/45/474217645.db2.gz NNONUZCIBKZTAZ-INIZCTEOSA-N 1 1 339.395 2.821 40 0 biogenic,in-vitro EFABMO COc1ccccc1C[N@@H+]1CC[C@@H](CO)N(C)c2nc(C)ccc2C1 ZINC000225494304 474217702 /nfs/dbraw/zinc/21/77/02/474217702.db2.gz MATHRUHCZNDCFA-SFHVURJKSA-N 1 1 341.455 2.602 40 0 biogenic,in-vitro EFABMO COc1ccccc1C[N@H+]1CC[C@@H](CO)N(C)c2nc(C)ccc2C1 ZINC000225494304 474217712 /nfs/dbraw/zinc/21/77/12/474217712.db2.gz MATHRUHCZNDCFA-SFHVURJKSA-N 1 1 341.455 2.602 40 0 biogenic,in-vitro EFABMO O=C(CC1CC1)NCC[C@H]1Cn2nccc2C[N@H+](C2CCCC2)C1 ZINC000247865750 474218390 /nfs/dbraw/zinc/21/83/90/474218390.db2.gz OLEDFUOXOGZVCW-MRXNPFEDSA-N 1 1 330.476 2.564 40 0 EFABMO O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CCc2[nH]cnc2C1 ZINC000225511465 474219813 /nfs/dbraw/zinc/21/98/13/474219813.db2.gz YTQLHRDYOXHOQO-JTQLQIEISA-N 1 1 339.317 2.730 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)nc1 ZINC000247879491 474219969 /nfs/dbraw/zinc/21/99/69/474219969.db2.gz PLZZMIGDWZRXFH-DFQSSKMNSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)nc1 ZINC000247879491 474219974 /nfs/dbraw/zinc/21/99/74/474219974.db2.gz PLZZMIGDWZRXFH-DFQSSKMNSA-N 1 1 339.439 2.673 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070639 474254899 /nfs/dbraw/zinc/25/48/99/474254899.db2.gz GESCCDCBNGHGCD-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070639 474254906 /nfs/dbraw/zinc/25/49/06/474254906.db2.gz GESCCDCBNGHGCD-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)s1 ZINC000248070639 474254911 /nfs/dbraw/zinc/25/49/11/474254911.db2.gz GESCCDCBNGHGCD-ROUUACIJSA-N 1 1 343.496 2.927 40 0 EFABMO COC[C@H]1C[N@@H+](C)CC12CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000248081099 474257943 /nfs/dbraw/zinc/25/79/43/474257943.db2.gz AIJAPGWTKHTUHH-OAHLLOKOSA-N 1 1 334.435 2.565 40 0 EFABMO Cc1cc(CN2CCC3(C[N@@H+](C)C[C@@H]3COCC3CC3)CC2)no1 ZINC000248158198 474272448 /nfs/dbraw/zinc/27/24/48/474272448.db2.gz WHWWXFOUTRCQFE-QGZVFWFLSA-N 1 1 333.476 2.553 40 0 EFABMO COc1ccccc1C(=O)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238956709 474544199 /nfs/dbraw/zinc/54/41/99/474544199.db2.gz YASJPVIKBUJYKQ-SFHVURJKSA-N 1 1 336.435 2.968 40 0 EFABMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343883 474574158 /nfs/dbraw/zinc/57/41/58/474574158.db2.gz WGZOUMLDLMNRQY-LZQZEXGQSA-N 1 1 341.455 2.559 40 0 EFABMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000278453186 474647900 /nfs/dbraw/zinc/64/79/00/474647900.db2.gz XFRCTHQIWHYHDS-UHFFFAOYSA-N 1 1 328.416 2.851 40 0 EFABMO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252487601 474672371 /nfs/dbraw/zinc/67/23/71/474672371.db2.gz ZJEVVRJGGITSDO-JFIYKMOQSA-N 1 1 333.476 2.826 40 0 EFABMO Cc1cc(C(=O)N(C)[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000252492111 474676984 /nfs/dbraw/zinc/67/69/84/474676984.db2.gz MDAADYIZLWBMLX-VQIMIIECSA-N 1 1 342.439 2.950 40 0 EFABMO Cc1cc(C(=O)N(C)[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000252492111 474676992 /nfs/dbraw/zinc/67/69/92/474676992.db2.gz MDAADYIZLWBMLX-VQIMIIECSA-N 1 1 342.439 2.950 40 0 EFABMO COC(=O)CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252511302 474689005 /nfs/dbraw/zinc/68/90/05/474689005.db2.gz ZXGVCFUBRPSVAM-WBVHZDCISA-N 1 1 346.471 2.745 40 0 EFABMO CC(C)[N@@H+](CCN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252517235 474692090 /nfs/dbraw/zinc/69/20/90/474692090.db2.gz CMOGGQYLBFWIAU-IYARVYRRSA-N 1 1 333.476 2.893 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(F)(F)F ZINC000253370185 474728213 /nfs/dbraw/zinc/72/82/13/474728213.db2.gz NMDYBXOFIGTFMM-GXTWGEPZSA-N 1 1 329.366 2.759 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC(F)(F)F ZINC000253370186 474728680 /nfs/dbraw/zinc/72/86/80/474728680.db2.gz NMDYBXOFIGTFMM-TZMCWYRMSA-N 1 1 329.366 2.759 40 0 EFABMO Cc1noc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000253370842 474729455 /nfs/dbraw/zinc/72/94/55/474729455.db2.gz WYZVLHWUROFKSS-KZNAEPCWSA-N 1 1 326.444 2.768 40 0 EFABMO CN(C)c1ncc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000253417484 474743950 /nfs/dbraw/zinc/74/39/50/474743950.db2.gz CHIKKXWIIYCTHU-INIZCTEOSA-N 1 1 340.427 2.651 40 0 EFABMO CN(C)c1ncc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000253417484 474743960 /nfs/dbraw/zinc/74/39/60/474743960.db2.gz CHIKKXWIIYCTHU-INIZCTEOSA-N 1 1 340.427 2.651 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000253419909 474747048 /nfs/dbraw/zinc/74/70/48/474747048.db2.gz DYGDUMWMNDGAAH-FUHWJXTLSA-N 1 1 346.471 2.545 40 0 EFABMO Cn1cc(CCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000253419155 474747644 /nfs/dbraw/zinc/74/76/44/474747644.db2.gz KAURBZDLHIRLQL-MAUKXSAKSA-N 1 1 346.500 2.614 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cscn3)[C@@H](C)C2)s1 ZINC000253425396 474751366 /nfs/dbraw/zinc/75/13/66/474751366.db2.gz IXZMLPORRTXYGG-GXFFZTMASA-N 1 1 336.486 2.548 40 0 EFABMO CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000253428502 474755042 /nfs/dbraw/zinc/75/50/42/474755042.db2.gz LDPQJFGTOAESDK-GUYCJALGSA-N 1 1 334.441 2.747 40 0 EFABMO C[C@@H]1CN(Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000253604039 474771338 /nfs/dbraw/zinc/77/13/38/474771338.db2.gz RLUNQUGUQYERAZ-KFWWJZLASA-N 1 1 328.460 2.639 40 0 EFABMO Cc1cccc(C(=O)N2CC3(C2)C[C@H](COCC2CC2)CC[N@@H+]3C)c1 ZINC000306123318 474804180 /nfs/dbraw/zinc/80/41/80/474804180.db2.gz AJXHUCJTTUOUPZ-GOSISDBHSA-N 1 1 342.483 2.958 40 0 EFABMO c1cc2n(n1)C[C@@H](CCNc1ncccn1)C[N@@H+](C1CCCC1)C2 ZINC000306127030 474806851 /nfs/dbraw/zinc/80/68/51/474806851.db2.gz FLYJZDDVAMRGQL-HNNXBMFYSA-N 1 1 326.448 2.550 40 0 EFABMO COC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000306127101 474807455 /nfs/dbraw/zinc/80/74/55/474807455.db2.gz FOJLENALEUOENF-HWWITLHISA-N 1 1 346.515 2.772 40 0 EFABMO CCOC[C@H]1CC[N@H+](C)C2(CN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000306135422 474808901 /nfs/dbraw/zinc/80/89/01/474808901.db2.gz OQFZADKNUJASKD-AWEZNQCLSA-N 1 1 348.512 2.810 40 0 EFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3cc4c(s3)CCC4)C2)C1 ZINC000306135422 474808911 /nfs/dbraw/zinc/80/89/11/474808911.db2.gz OQFZADKNUJASKD-AWEZNQCLSA-N 1 1 348.512 2.810 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1cccnc1 ZINC000306134085 474809597 /nfs/dbraw/zinc/80/95/97/474809597.db2.gz NDDHCSFNNVCSEV-RBUKOAKNSA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1cccnc1 ZINC000306134085 474809603 /nfs/dbraw/zinc/80/96/03/474809603.db2.gz NDDHCSFNNVCSEV-RBUKOAKNSA-N 1 1 348.406 2.558 40 0 EFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](CC4CC4)C[C@@H]32)cs1 ZINC000306132910 474809989 /nfs/dbraw/zinc/80/99/89/474809989.db2.gz LVWYOHUSXZWGLP-SJORKVTESA-N 1 1 342.468 2.544 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1cccnc1 ZINC000306134083 474810391 /nfs/dbraw/zinc/81/03/91/474810391.db2.gz NDDHCSFNNVCSEV-MOPGFXCFSA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1cccnc1 ZINC000306134083 474810398 /nfs/dbraw/zinc/81/03/98/474810398.db2.gz NDDHCSFNNVCSEV-MOPGFXCFSA-N 1 1 348.406 2.558 40 0 EFABMO CC(C)n1cnc([C@H]2C[N@@H+](CC3CC3)C[C@@]23CCCN(C)C3=O)c1 ZINC000306131240 474810511 /nfs/dbraw/zinc/81/05/11/474810511.db2.gz JZDZIEJHHXALBA-APWZRJJASA-N 1 1 330.476 2.512 40 0 EFABMO CC(C)C[N@H+]1CCC[C@@H](c2ccnc3c(C(=O)NC(C)C)cnn32)C1 ZINC000306139691 474811673 /nfs/dbraw/zinc/81/16/73/474811673.db2.gz TXVJQIXMYJIGCY-OAHLLOKOSA-N 1 1 343.475 2.703 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccccc4)C[C@H]2C3)cn1 ZINC000306144457 474811801 /nfs/dbraw/zinc/81/18/01/474811801.db2.gz ZFYUASLYBDVJTO-AEFFLSMTSA-N 1 1 333.439 2.588 40 0 EFABMO NC(=O)c1cc(C[C@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257254237 474928099 /nfs/dbraw/zinc/92/80/99/474928099.db2.gz KCHIRFPTRPCRFX-CQSZACIVSA-N 1 1 349.438 2.512 40 0 EFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccccc2)C1 ZINC000257227334 474928134 /nfs/dbraw/zinc/92/81/34/474928134.db2.gz FOUULAWTVNFINA-HXUWFJFHSA-N 1 1 342.414 2.535 40 0 EFABMO CCn1nc(C)c(C[N@H+]2CCC[C@@H]2c2cc(NC)nc(C)n2)c1C ZINC000257283336 474929652 /nfs/dbraw/zinc/92/96/52/474929652.db2.gz OXVUVTOUGGMPOO-QGZVFWFLSA-N 1 1 328.464 2.997 40 0 EFABMO CCn1nc(C)c(C[N@H+]2CCC[C@H]2c2cc(NC)nc(C)n2)c1C ZINC000257283335 474930448 /nfs/dbraw/zinc/93/04/48/474930448.db2.gz OXVUVTOUGGMPOO-KRWDZBQOSA-N 1 1 328.464 2.997 40 0 EFABMO C[C@]12CCCC[N@@H+](CC3=Cc4ccccc4OC3)[C@H]1CCC(=O)N2 ZINC000257286802 474931789 /nfs/dbraw/zinc/93/17/89/474931789.db2.gz PNCHWGFURFCJPL-ICSRJNTNSA-N 1 1 326.440 2.986 40 0 EFABMO C[NH+](C)Cc1ccnc([C@H]2CN(CCCc3ccccc3)CCO2)n1 ZINC000257290611 474934206 /nfs/dbraw/zinc/93/42/06/474934206.db2.gz QDOUXXMDBWCICA-LJQANCHMSA-N 1 1 340.471 2.544 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 ZINC000257291057 474935500 /nfs/dbraw/zinc/93/55/00/474935500.db2.gz QFKQCDGVVFBQFZ-OAHLLOKOSA-N 1 1 336.443 2.785 40 0 EFABMO CNc1ncccc1C[N@@H+]1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257291459 474937061 /nfs/dbraw/zinc/93/70/61/474937061.db2.gz QHANIWJDCZKHHG-OAHLLOKOSA-N 1 1 325.460 2.882 40 0 EFABMO CNc1ncccc1C[N@H+]1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257291459 474937064 /nfs/dbraw/zinc/93/70/64/474937064.db2.gz QHANIWJDCZKHHG-OAHLLOKOSA-N 1 1 325.460 2.882 40 0 EFABMO Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)n1 ZINC000257296801 474937731 /nfs/dbraw/zinc/93/77/31/474937731.db2.gz RELVKPPAVWKCKC-MRXNPFEDSA-N 1 1 334.427 2.950 40 0 EFABMO c1c[nH]c(-c2cncc(C3CC[NH+](Cc4cscn4)CC3)n2)n1 ZINC000257299513 474939795 /nfs/dbraw/zinc/93/97/95/474939795.db2.gz RQJZLMJPCQTTML-UHFFFAOYSA-N 1 1 326.429 2.703 40 0 EFABMO CC(=O)Nc1nc(C)c(-c2cncc(C[C@H]3CCC[N@H+](C)C3)n2)s1 ZINC000257299609 474940998 /nfs/dbraw/zinc/94/09/98/474940998.db2.gz RQTYBVLIOPAIFH-CYBMUJFWSA-N 1 1 345.472 2.751 40 0 EFABMO Cn1cncc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000257298611 474941203 /nfs/dbraw/zinc/94/12/03/474941203.db2.gz RMMSYZVHKIMYHZ-CYBMUJFWSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1cncc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000257298611 474941214 /nfs/dbraw/zinc/94/12/14/474941214.db2.gz RMMSYZVHKIMYHZ-CYBMUJFWSA-N 1 1 340.456 2.713 40 0 EFABMO O[C@H]1CC[N@H+](Cc2cccc(Br)c2)C[C@@]12CCCO2 ZINC000257301914 474942966 /nfs/dbraw/zinc/94/29/66/474942966.db2.gz SANGJXXVACNIFW-GJZGRUSLSA-N 1 1 326.234 2.565 40 0 EFABMO O[C@H]1CC[N@@H+](Cc2cccc(Br)c2)C[C@@]12CCCO2 ZINC000257301914 474942974 /nfs/dbraw/zinc/94/29/74/474942974.db2.gz SANGJXXVACNIFW-GJZGRUSLSA-N 1 1 326.234 2.565 40 0 EFABMO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCC[N@H+]2Cc1ncc[nH]1 ZINC000257321991 474953127 /nfs/dbraw/zinc/95/31/27/474953127.db2.gz WEFJZYIAHIDOOF-BJLQDIEVSA-N 1 1 338.455 2.779 40 0 EFABMO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1 ZINC000257321294 474953391 /nfs/dbraw/zinc/95/33/91/474953391.db2.gz WAZQGBLSDWKQBV-CYBMUJFWSA-N 1 1 340.456 2.778 40 0 EFABMO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1 ZINC000257321294 474953398 /nfs/dbraw/zinc/95/33/98/474953398.db2.gz WAZQGBLSDWKQBV-CYBMUJFWSA-N 1 1 340.456 2.778 40 0 EFABMO CC(=O)Nc1ncc(-c2cnc(C[C@H]3CC[N@H+](C(C)C)C3)cn2)s1 ZINC000257325201 474954856 /nfs/dbraw/zinc/95/48/56/474954856.db2.gz WRYBQFOFPYSJLY-CYBMUJFWSA-N 1 1 345.472 2.831 40 0 EFABMO COc1ncccc1C(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257324399 474955159 /nfs/dbraw/zinc/95/51/59/474955159.db2.gz WOMWMFNACZFHOY-OAHLLOKOSA-N 1 1 340.427 2.535 40 0 EFABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C1CCC(F)(F)CC1 ZINC000257330516 474957700 /nfs/dbraw/zinc/95/77/00/474957700.db2.gz XOSYPQMWVYVMPL-HNNXBMFYSA-N 1 1 338.398 2.994 40 0 EFABMO Cc1noc(C)c1CCC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257331412 474959430 /nfs/dbraw/zinc/95/94/30/474959430.db2.gz XSTBBQKJGRELTD-GOSISDBHSA-N 1 1 327.428 2.739 40 0 EFABMO Cc1noc(C)c1CCC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257331412 474959438 /nfs/dbraw/zinc/95/94/38/474959438.db2.gz XSTBBQKJGRELTD-GOSISDBHSA-N 1 1 327.428 2.739 40 0 EFABMO Cn1nccc1CN1CC[N@@H+](C)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257336995 474961367 /nfs/dbraw/zinc/96/13/67/474961367.db2.gz YQXQDBJRSJURSU-SFHVURJKSA-N 1 1 349.482 2.575 40 0 EFABMO Nc1nccnc1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257337582 474962251 /nfs/dbraw/zinc/96/22/51/474962251.db2.gz YTKALKUFNZTCAJ-OAHLLOKOSA-N 1 1 348.454 2.904 40 0 EFABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H]1c1ccnc(NC)c1 ZINC000257340206 474963099 /nfs/dbraw/zinc/96/30/99/474963099.db2.gz ZFAZRGVSYXBRMT-OAHLLOKOSA-N 1 1 327.432 2.636 40 0 EFABMO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1CCN1C(=O)CCC1=O ZINC000390834518 476805626 /nfs/dbraw/zinc/80/56/26/476805626.db2.gz ABLUKXQUONWADW-GDBMZVCRSA-N 1 1 330.428 2.760 40 0 EFABMO C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514290200 479022793 /nfs/dbraw/zinc/02/27/93/479022793.db2.gz VHRYCMUDSXSRIU-CMKODMSKSA-N 1 1 342.414 2.752 40 0 biogenic,in-vitro EFABMO CN1C(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000514290333 479023092 /nfs/dbraw/zinc/02/30/92/479023092.db2.gz XUUIXNRJESUTKO-QUCCMNQESA-N 1 1 349.434 2.818 40 0 biogenic,in-vitro EFABMO Cn1cc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1 ZINC000585095065 479279686 /nfs/dbraw/zinc/27/96/86/479279686.db2.gz CMUINNUNDFRYFO-KRWDZBQOSA-N 1 1 328.460 2.670 40 0 EFABMO Cn1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)cn1 ZINC000585095065 479279699 /nfs/dbraw/zinc/27/96/99/479279699.db2.gz CMUINNUNDFRYFO-KRWDZBQOSA-N 1 1 328.460 2.670 40 0 EFABMO C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1C1CCC1 ZINC000585097511 479281740 /nfs/dbraw/zinc/28/17/40/479281740.db2.gz KVQYZEPADMHJAO-GFCCVEGCSA-N 1 1 347.850 2.705 40 0 EFABMO Cc1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N3CCF)CC2)s1 ZINC000585099940 479282362 /nfs/dbraw/zinc/28/23/62/479282362.db2.gz ARRTVDLFWZSXJB-INIZCTEOSA-N 1 1 325.453 2.768 40 0 EFABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1C1CCC1 ZINC000585098652 479282912 /nfs/dbraw/zinc/28/29/12/479282912.db2.gz ZZUNLNXFDXIUDI-NSHDSACASA-N 1 1 333.823 2.835 40 0 EFABMO C[C@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1C1CCC1 ZINC000585098652 479282919 /nfs/dbraw/zinc/28/29/19/479282919.db2.gz ZZUNLNXFDXIUDI-NSHDSACASA-N 1 1 333.823 2.835 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(Cc4cncs4)C3=O)C2)cs1 ZINC000585099353 479283407 /nfs/dbraw/zinc/28/34/07/479283407.db2.gz HDEOOGCXMVHORJ-INIZCTEOSA-N 1 1 348.497 2.533 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@@]3(CN(Cc4cncs4)C3=O)C2)cs1 ZINC000585099353 479283412 /nfs/dbraw/zinc/28/34/12/479283412.db2.gz HDEOOGCXMVHORJ-INIZCTEOSA-N 1 1 348.497 2.533 40 0 EFABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102300 479284135 /nfs/dbraw/zinc/28/41/35/479284135.db2.gz WPFFNGGVHWMXEF-HXUWFJFHSA-N 1 1 339.439 2.562 40 0 EFABMO C[N@@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C3CCCC3)C2)OC1 ZINC000585103267 479284182 /nfs/dbraw/zinc/28/41/82/479284182.db2.gz ANIPLZYCANRVPT-SFHVURJKSA-N 1 1 329.488 2.937 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C3CCCC3)C2)OC1 ZINC000585103267 479284187 /nfs/dbraw/zinc/28/41/87/479284187.db2.gz ANIPLZYCANRVPT-SFHVURJKSA-N 1 1 329.488 2.937 40 0 EFABMO C[N@@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C3CCCC3)C2)OC1 ZINC000585103254 479284213 /nfs/dbraw/zinc/28/42/13/479284213.db2.gz ANIPLZYCANRVPT-GOSISDBHSA-N 1 1 329.488 2.937 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C3CCCC3)C2)OC1 ZINC000585103254 479284219 /nfs/dbraw/zinc/28/42/19/479284219.db2.gz ANIPLZYCANRVPT-GOSISDBHSA-N 1 1 329.488 2.937 40 0 EFABMO Fc1cccnc1O[C@@H]1CSC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000585103464 479284476 /nfs/dbraw/zinc/28/44/76/479284476.db2.gz BIGGYMPXVCXXPJ-AWEZNQCLSA-N 1 1 331.416 2.755 40 0 EFABMO Fc1cccnc1O[C@H]1CSC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000585103466 479284776 /nfs/dbraw/zinc/28/47/76/479284776.db2.gz BIGGYMPXVCXXPJ-CQSZACIVSA-N 1 1 331.416 2.755 40 0 EFABMO C[N@@H+]1CC[C@H](COCc2ccncc2)CC12CN(CC1CCC1)C2 ZINC000585102661 479284801 /nfs/dbraw/zinc/28/48/01/479284801.db2.gz FFZPIUZWMAYPRI-IBGZPJMESA-N 1 1 329.488 2.795 40 0 EFABMO C[N@H+]1CC[C@H](COCc2ccncc2)CC12CN(CC1CCC1)C2 ZINC000585102661 479284806 /nfs/dbraw/zinc/28/48/06/479284806.db2.gz FFZPIUZWMAYPRI-IBGZPJMESA-N 1 1 329.488 2.795 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000585104004 479284959 /nfs/dbraw/zinc/28/49/59/479284959.db2.gz FLWZAQWAUZUIFF-SFHVURJKSA-N 1 1 341.455 2.788 40 0 EFABMO Fc1cccnc1O[C@H]1CSC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000585105163 479286331 /nfs/dbraw/zinc/28/63/31/479286331.db2.gz PGDJPALCVSLRDB-CQSZACIVSA-N 1 1 331.416 2.755 40 0 EFABMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@H]2CCCSCC2)c1 ZINC000585141958 479299755 /nfs/dbraw/zinc/29/97/55/479299755.db2.gz JSLKOYXKJFRMKH-DOTOQJQBSA-N 1 1 333.501 2.834 40 0 EFABMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(N[C@@H]2CCCSCC2)c1 ZINC000585141959 479300055 /nfs/dbraw/zinc/30/00/55/479300055.db2.gz JSLKOYXKJFRMKH-NVXWUHKLSA-N 1 1 333.501 2.834 40 0 EFABMO CC(C)n1nccc1C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269249 479303017 /nfs/dbraw/zinc/30/30/17/479303017.db2.gz MUQMHAOLYOPMRU-LJQANCHMSA-N 1 1 329.444 2.870 40 0 EFABMO CC(C)n1nccc1C[N@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269249 479303019 /nfs/dbraw/zinc/30/30/19/479303019.db2.gz MUQMHAOLYOPMRU-LJQANCHMSA-N 1 1 329.444 2.870 40 0 EFABMO O[C@]1(COc2cccc(F)c2)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000585268847 479303024 /nfs/dbraw/zinc/30/30/24/479303024.db2.gz ARAXMDIHSRFXRQ-QGZVFWFLSA-N 1 1 336.794 2.890 40 0 EFABMO O[C@]1(COc2cccc(F)c2)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000585268847 479303028 /nfs/dbraw/zinc/30/30/28/479303028.db2.gz ARAXMDIHSRFXRQ-QGZVFWFLSA-N 1 1 336.794 2.890 40 0 EFABMO C[N@H+]1CCN(Cc2c[nH]cn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585182505 479303463 /nfs/dbraw/zinc/30/34/63/479303463.db2.gz NYQTWIJLNUQBEA-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@@H+]1CCN(Cc2cnc[nH]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585182505 479303470 /nfs/dbraw/zinc/30/34/70/479303470.db2.gz NYQTWIJLNUQBEA-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@H+]1CCN(Cc2cnc[nH]2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585182505 479303478 /nfs/dbraw/zinc/30/34/78/479303478.db2.gz NYQTWIJLNUQBEA-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO CCn1nc(C)c(C[N@H+]2CC[C@@](O)(COc3cccc(F)c3)C2)c1C ZINC000585273390 479304651 /nfs/dbraw/zinc/30/46/51/479304651.db2.gz ULHQOSFCCZTBFY-IBGZPJMESA-N 1 1 347.434 2.675 40 0 EFABMO CO[C@]1(COc2cccc(C)c2)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000585275338 479305280 /nfs/dbraw/zinc/30/52/80/479305280.db2.gz AQRHCCLFDVVQQX-LJQANCHMSA-N 1 1 327.428 2.763 40 0 EFABMO CO[C@]1(COc2cccc(C)c2)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000585275338 479305288 /nfs/dbraw/zinc/30/52/88/479305288.db2.gz AQRHCCLFDVVQQX-LJQANCHMSA-N 1 1 327.428 2.763 40 0 EFABMO CO[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@H]1Cc1ccccc1F ZINC000585277514 479306295 /nfs/dbraw/zinc/30/62/95/479306295.db2.gz WBBARGRCRJWQLB-APWZRJJASA-N 1 1 348.462 2.764 40 0 EFABMO CO[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@H]1Cc1ccccc1F ZINC000585277514 479306304 /nfs/dbraw/zinc/30/63/04/479306304.db2.gz WBBARGRCRJWQLB-APWZRJJASA-N 1 1 348.462 2.764 40 0 EFABMO COc1ncc(C[N@@H+]2CC[C@H](OC)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585279171 479307618 /nfs/dbraw/zinc/30/76/18/479307618.db2.gz WOWXJAYTDYCXRM-AEFFLSMTSA-N 1 1 345.418 2.704 40 0 EFABMO CCC(CC)[N@H+]1CCOC[C@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284327 479308195 /nfs/dbraw/zinc/30/81/95/479308195.db2.gz WYMURISXTXCMAV-KRWDZBQOSA-N 1 1 327.852 2.971 40 0 EFABMO CCCC(CCC)[N@H+]1CC[C@H](O)[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585282425 479308287 /nfs/dbraw/zinc/30/82/87/479308287.db2.gz JWCHBARNOGWQCS-OALUTQOASA-N 1 1 339.451 2.971 40 0 EFABMO O[C@H]1CC[N@H+](C2CCCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282761 479308541 /nfs/dbraw/zinc/30/85/41/479308541.db2.gz NSJASPPSMJDAHY-ROUUACIJSA-N 1 1 339.863 2.849 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000585291753 479310466 /nfs/dbraw/zinc/31/04/66/479310466.db2.gz CDKUHIFDFSAOIL-MISYRCLQSA-N 1 1 340.398 2.628 40 0 EFABMO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)no1 ZINC000585290299 479310657 /nfs/dbraw/zinc/31/06/57/479310657.db2.gz UODIXBUTZFQMEH-RCCFBDPRSA-N 1 1 334.391 2.915 40 0 EFABMO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)no1 ZINC000585290299 479310659 /nfs/dbraw/zinc/31/06/59/479310659.db2.gz UODIXBUTZFQMEH-RCCFBDPRSA-N 1 1 334.391 2.915 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(F)cc1Cl ZINC000585293458 479311184 /nfs/dbraw/zinc/31/11/84/479311184.db2.gz XIQUFKLFKLVTQA-KBAYOESNSA-N 1 1 335.806 2.800 40 0 EFABMO COc1ccc(C(=O)N2CCC[N@H+](C3CCSCC3)CC2)cc1 ZINC000575605148 479449495 /nfs/dbraw/zinc/44/94/95/479449495.db2.gz AEBNWRPOFXXIAK-UHFFFAOYSA-N 1 1 334.485 2.739 40 0 EFABMO CCOc1ccc(C[NH+]2CCN(c3ccc(OCC)nn3)CC2)cc1 ZINC000605433026 479644972 /nfs/dbraw/zinc/64/49/72/479644972.db2.gz CJBRIONVOPDZNR-UHFFFAOYSA-N 1 1 342.443 2.596 40 0 EFABMO CC[C@@H](C(=O)Nc1ccc(C(N)=O)c(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000225803265 535431186 /nfs/dbraw/zinc/43/11/86/535431186.db2.gz GZDMGVMXTGQQGI-SFHVURJKSA-N 1 1 339.439 2.943 40 0 EFABMO C[NH+](C)Cc1cncc([C@@H]2CCCN2C(=O)CCc2cccs2)n1 ZINC000257254356 536058675 /nfs/dbraw/zinc/05/86/75/536058675.db2.gz KCRZZQRYAHQBJD-KRWDZBQOSA-N 1 1 344.484 2.896 40 0 EFABMO CN1C(=O)CO[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000257221914 536314511 /nfs/dbraw/zinc/31/45/11/536314511.db2.gz DRCOPLPZFLCWCN-GJZGRUSLSA-N 1 1 342.361 2.527 40 0 EFABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@]12CCCO2 ZINC000257275734 536684272 /nfs/dbraw/zinc/68/42/72/536684272.db2.gz NQRBUZXCYQQVTN-NVXWUHKLSA-N 1 1 338.835 2.548 40 0 EFABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@]12CCCO2 ZINC000257275734 536684273 /nfs/dbraw/zinc/68/42/73/536684273.db2.gz NQRBUZXCYQQVTN-NVXWUHKLSA-N 1 1 338.835 2.548 40 0 EFABMO C[N@H+](Cc1ccccc1C1CC1)Cc1ccccc1S(N)(=O)=O ZINC000585085823 546371348 /nfs/dbraw/zinc/37/13/48/546371348.db2.gz XOQQGFZWQLJFME-UHFFFAOYSA-N 1 1 330.453 2.843 40 0 EFABMO C[N@@H+](Cc1ccccc1C1CC1)Cc1ccccc1S(N)(=O)=O ZINC000585085823 546371353 /nfs/dbraw/zinc/37/13/53/546371353.db2.gz XOQQGFZWQLJFME-UHFFFAOYSA-N 1 1 330.453 2.843 40 0 EFABMO O=S(=O)(NC[C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1)C1CC1 ZINC000585084662 564133968 /nfs/dbraw/zinc/13/39/68/564133968.db2.gz JDHCMIRYIXKAPH-OAHLLOKOSA-N 1 1 348.512 2.858 40 0 EFABMO c1ccc(-c2nnc3n2C[C@H]2CC[C@@H](C3)[N@H+]2Cc2cccnc2)cc1 ZINC000675020423 1099653887 /nfs/dbraw/zinc/65/38/87/1099653887.db2.gz RLADKWXPDCFKPD-ZWKOTPCHSA-N 1 1 331.423 2.929 40 0 EFABMO O=C(CC1CC1)N[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000097953467 219064014 /nfs/dbraw/zinc/06/40/14/219064014.db2.gz UCIKFMLUCIGCSS-LESCRADOSA-N 1 1 334.485 2.644 40 0 EFABMO O=C(NCCc1cccs1)[C@H]1C[C@H]2OCC[C@H]2[N@H+](C2CCCC2)C1 ZINC000097953675 219064641 /nfs/dbraw/zinc/06/46/41/219064641.db2.gz DLFJQWAIWBRKEC-BMGDILEWSA-N 1 1 348.512 2.829 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000097953785 219064707 /nfs/dbraw/zinc/06/47/07/219064707.db2.gz LPGMULJPPUHMBM-QRVBRYPASA-N 1 1 328.412 2.932 40 0 EFABMO O=C(N[C@H]1CC[C@H]([N@@H+](CCO)C2CC2)CC1)OCc1ccccc1 ZINC000100178154 219094166 /nfs/dbraw/zinc/09/41/66/219094166.db2.gz ASKXXIQRRRYJQK-CALCHBBNSA-N 1 1 332.444 2.681 40 0 EFABMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000004400289 210187311 /nfs/dbraw/zinc/18/73/11/210187311.db2.gz VOAAJCDJYIZNDF-YJBOKZPZSA-N 1 1 348.462 2.804 40 0 EFABMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Br)C1 ZINC000004276580 210159299 /nfs/dbraw/zinc/15/92/99/210159299.db2.gz HRWPKBAYEVQBLV-OLZOCXBDSA-N 1 1 328.250 2.921 40 0 EFABMO Cn1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000044870707 213655146 /nfs/dbraw/zinc/65/51/46/213655146.db2.gz RURHAHGGMMLZNC-MRXNPFEDSA-N 1 1 332.835 2.640 40 0 EFABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)C1 ZINC000044080862 213608358 /nfs/dbraw/zinc/60/83/58/213608358.db2.gz BBINOEVWBUOQDQ-AWEZNQCLSA-N 1 1 349.500 2.866 40 0 EFABMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2nccn2c1 ZINC000068389717 215305541 /nfs/dbraw/zinc/30/55/41/215305541.db2.gz HVNZKUBJBZXPBG-SFHVURJKSA-N 1 1 348.450 2.629 40 0 EFABMO C[NH+]1CCN(C(=O)N2CCS[C@H](c3cccs3)CC2)CC1 ZINC000219537802 282897926 /nfs/dbraw/zinc/89/79/26/282897926.db2.gz CWUBKIFHWMEDNP-AWEZNQCLSA-N 1 1 325.503 2.596 40 0 EFABMO Fc1cccc(-c2ncnc3c2CC[N@@H+](C[C@H]2CCOC2)CC3)c1 ZINC000096187658 283012799 /nfs/dbraw/zinc/01/27/99/283012799.db2.gz WORYOOSRFHNXBW-CQSZACIVSA-N 1 1 327.403 2.720 40 0 EFABMO C[NH+](C)[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccco1 ZINC000038629981 213217300 /nfs/dbraw/zinc/21/73/00/213217300.db2.gz FVZVUOUTEZAOSJ-KRWDZBQOSA-N 1 1 342.439 2.747 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590305 283177207 /nfs/dbraw/zinc/17/72/07/283177207.db2.gz SBLITLHHYWGWSZ-GOSISDBHSA-N 1 1 336.439 2.832 40 0 EFABMO O=C1CCCN1c1ccc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)cc1 ZINC000036743619 213115832 /nfs/dbraw/zinc/11/58/32/213115832.db2.gz CMDKBESPMMDBNK-OAQYLSRUSA-N 1 1 336.435 2.907 40 0 EFABMO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000036025345 213056697 /nfs/dbraw/zinc/05/66/97/213056697.db2.gz VECLMGKGWXLRCE-DTXAGUPXSA-N 1 1 327.509 2.934 40 0 EFABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3CC(C)C)n2)c1 ZINC000035425080 213027509 /nfs/dbraw/zinc/02/75/09/213027509.db2.gz IRMUAXNXODOANM-INIZCTEOSA-N 1 1 346.431 2.950 40 0 biogenic,in-vitro EFABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)cn1 ZINC000035425254 213026839 /nfs/dbraw/zinc/02/68/39/213026839.db2.gz WQFWNICKUKGFSQ-HNNXBMFYSA-N 1 1 343.431 2.879 40 0 biogenic,in-vitro EFABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)ccn1 ZINC000035424827 213027637 /nfs/dbraw/zinc/02/76/37/213027637.db2.gz YIVNWUFSHRXVSW-AWEZNQCLSA-N 1 1 332.404 2.702 40 0 biogenic,in-vitro EFABMO Cc1csc(C(=O)N2CCC(C[N@@H+]3CCN(C)C[C@H]3C)CC2)c1 ZINC000107286058 219760213 /nfs/dbraw/zinc/76/02/13/219760213.db2.gz HXIOKPOLMKOWHF-OAHLLOKOSA-N 1 1 335.517 2.545 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)n1 ZINC000072355440 216164762 /nfs/dbraw/zinc/16/47/62/216164762.db2.gz ITGLBLUYPJMDHA-KRWDZBQOSA-N 1 1 348.454 2.999 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2ccccc2OC)C1 ZINC000072358500 216166186 /nfs/dbraw/zinc/16/61/86/216166186.db2.gz PCCAWPMMOOOOGW-OAHLLOKOSA-N 1 1 327.428 2.978 40 0 EFABMO Cc1cc(CCC(=O)NCc2cccnc2)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360550 216166870 /nfs/dbraw/zinc/16/68/70/216166870.db2.gz LHELXZVTUFHWTH-IBGZPJMESA-N 1 1 338.455 2.801 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072349517 216160137 /nfs/dbraw/zinc/16/01/37/216160137.db2.gz GHSPZYDRMAANJQ-GOSISDBHSA-N 1 1 337.467 2.940 40 0 EFABMO Cc1nccn1-c1cncc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000072355423 216164444 /nfs/dbraw/zinc/16/44/44/216164444.db2.gz DPSMOCSTKPTINE-INIZCTEOSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072365922 216171097 /nfs/dbraw/zinc/17/10/97/216171097.db2.gz GRSRQKLZASBSIE-OAHLLOKOSA-N 1 1 342.418 2.663 40 0 EFABMO CNC(=O)[C@@]1(CCCc2cccnc2)CCC[N@H+]1Cc1ccccn1 ZINC000072367250 216172475 /nfs/dbraw/zinc/17/24/75/216172475.db2.gz XQCBXLRMMDYCHI-HXUWFJFHSA-N 1 1 338.455 2.580 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2nccnc2Nc2cccc(C)n2)C1 ZINC000072361797 216167774 /nfs/dbraw/zinc/16/77/74/216167774.db2.gz YLFDLZVFZFXKBM-HNNXBMFYSA-N 1 1 327.432 2.749 40 0 EFABMO NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072367502 216174913 /nfs/dbraw/zinc/17/49/13/216174913.db2.gz ZNAKGTUKYZTGPC-QGZVFWFLSA-N 1 1 329.831 2.948 40 0 EFABMO NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072367502 216174918 /nfs/dbraw/zinc/17/49/18/216174918.db2.gz ZNAKGTUKYZTGPC-QGZVFWFLSA-N 1 1 329.831 2.948 40 0 EFABMO C[N@H+]1CCC[C@H](Cc2cnc(C(=O)N3CCCCCCC3)cn2)C1 ZINC000072369349 216175884 /nfs/dbraw/zinc/17/58/84/216175884.db2.gz URMYALMELUKNRL-MRXNPFEDSA-N 1 1 330.476 2.767 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378436 216182002 /nfs/dbraw/zinc/18/20/02/216182002.db2.gz HZZGVPXQWJJSHA-SFHVURJKSA-N 1 1 347.422 2.877 40 0 EFABMO COCC[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(OC)c1 ZINC000072376822 216178578 /nfs/dbraw/zinc/17/85/78/216178578.db2.gz TXILDFVFAZTFAI-KRWDZBQOSA-N 1 1 342.443 2.908 40 0 EFABMO Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378429 216180885 /nfs/dbraw/zinc/18/08/85/216180885.db2.gz FZJCTTSUXFIGMP-QGZVFWFLSA-N 1 1 333.395 2.948 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378639 216181355 /nfs/dbraw/zinc/18/13/55/216181355.db2.gz QQGWBUMAKCIFGO-QGZVFWFLSA-N 1 1 334.427 2.957 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378639 216181359 /nfs/dbraw/zinc/18/13/59/216181359.db2.gz QQGWBUMAKCIFGO-QGZVFWFLSA-N 1 1 334.427 2.957 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378511 216181624 /nfs/dbraw/zinc/18/16/24/216181624.db2.gz LJEWQDSMSDETCX-INIZCTEOSA-N 1 1 325.416 2.824 40 0 EFABMO Cc1csc(Nc2cc([C@H]3CCCC[N@H+]3CCO)nc(C)n2)n1 ZINC000072382637 216183253 /nfs/dbraw/zinc/18/32/53/216183253.db2.gz PKZMPZQVJHTTSU-CQSZACIVSA-N 1 1 333.461 2.813 40 0 EFABMO COCCNc1cc([C@@H]2CC[N@H+]2CCc2ccccc2)nc(C)n1 ZINC000072387525 216187074 /nfs/dbraw/zinc/18/70/74/216187074.db2.gz IPAAEZFEXUDHHG-SFHVURJKSA-N 1 1 326.444 2.833 40 0 EFABMO c1cc(N2CCOCC2)nnc1C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072387266 216187280 /nfs/dbraw/zinc/18/72/80/216187280.db2.gz OIPQOFXEYOPCJS-MRXNPFEDSA-N 1 1 330.476 2.510 40 0 EFABMO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388531 216189323 /nfs/dbraw/zinc/18/93/23/216189323.db2.gz KPDCVIKADAJCEJ-FQEVSTJZSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388531 216189325 /nfs/dbraw/zinc/18/93/25/216189325.db2.gz KPDCVIKADAJCEJ-FQEVSTJZSA-N 1 1 349.438 2.876 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccco3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392889 216190996 /nfs/dbraw/zinc/19/09/96/216190996.db2.gz NMBOUQXGZNCFJL-OAHLLOKOSA-N 1 1 336.395 2.805 40 0 EFABMO c1cc(C[N@@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)ccn1 ZINC000072387307 216186661 /nfs/dbraw/zinc/18/66/61/216186661.db2.gz KJXFSHCDGBJWSF-SFHVURJKSA-N 1 1 337.471 2.927 40 0 EFABMO CC(=O)N1CC[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393712 216192380 /nfs/dbraw/zinc/19/23/80/216192380.db2.gz SIOLLYJZVNMJGZ-UHFFFAOYSA-N 1 1 326.444 2.885 40 0 EFABMO Cc1cc(CNCCC[NH+]2CCC(O)CC2)ccc1Br ZINC000072737702 216302530 /nfs/dbraw/zinc/30/25/30/216302530.db2.gz JTFSBCJSDBWSJO-UHFFFAOYSA-N 1 1 341.293 2.694 40 0 EFABMO COCc1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000023736713 212392564 /nfs/dbraw/zinc/39/25/64/212392564.db2.gz LDHFJVIWCQBLFK-UHFFFAOYSA-N 1 1 346.471 2.598 40 0 EFABMO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(Cc3ncccc3C)CC2)c1 ZINC000022887357 212331518 /nfs/dbraw/zinc/33/15/18/212331518.db2.gz VMIYHELNDTYZIL-NRFANRHFSA-N 1 1 339.483 2.858 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H]1COc2ccccc2O1 ZINC000022510416 212302547 /nfs/dbraw/zinc/30/25/47/212302547.db2.gz INWNWYKYAUIJKD-IBGZPJMESA-N 1 1 349.390 2.637 40 0 EFABMO Nc1cc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)ccn1 ZINC000193544405 240207232 /nfs/dbraw/zinc/20/72/32/240207232.db2.gz ZYHUEJABEVBHKS-LBPRGKRZSA-N 1 1 325.338 2.716 40 0 EFABMO CCc1ncc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000193852563 240335061 /nfs/dbraw/zinc/33/50/61/240335061.db2.gz OVQFRQYAYDHEOO-MRXNPFEDSA-N 1 1 339.443 2.683 40 0 EFABMO Cn1cncc1-c1nccnc1C1CC[NH+](Cc2cscn2)CC1 ZINC000257228274 240314509 /nfs/dbraw/zinc/31/45/09/240314509.db2.gz FTGFHPXTCFKPFJ-UHFFFAOYSA-N 1 1 340.456 2.713 40 0 EFABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2([NH3+])COC)cc1 ZINC000218564376 241329877 /nfs/dbraw/zinc/32/98/77/241329877.db2.gz GPCJZZFTFGODSG-GUDVDZBRSA-N 1 1 345.464 2.533 40 0 EFABMO COc1ccc(NC(=S)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000225732133 242006992 /nfs/dbraw/zinc/00/69/92/242006992.db2.gz KQTXGMHKVARWNF-OKILXGFUSA-N 1 1 336.505 2.745 40 0 EFABMO Cc1ccc(C)n1CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000021486971 212226486 /nfs/dbraw/zinc/22/64/86/212226486.db2.gz VSEUVNSHMHDTTC-UHFFFAOYSA-N 1 1 329.419 2.702 40 0 EFABMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302069 243015057 /nfs/dbraw/zinc/01/50/57/243015057.db2.gz YPHVWFDQBHHXSO-DLBZAZTESA-N 1 1 340.423 2.522 40 0 EFABMO C[C@H]1C[C@H](NC(=O)NCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000241795534 243003932 /nfs/dbraw/zinc/00/39/32/243003932.db2.gz RZZPUBTTXNAANK-FUHWJXTLSA-N 1 1 345.487 2.644 40 0 EFABMO Cc1ccc(N2CCC[N@@H+](C[C@@H](O)c3cccc(Cl)c3)CC2)nn1 ZINC000241965590 243008628 /nfs/dbraw/zinc/00/86/28/243008628.db2.gz UUBOMLXYRVQIGG-QGZVFWFLSA-N 1 1 346.862 2.684 40 0 EFABMO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000245339054 243102582 /nfs/dbraw/zinc/10/25/82/243102582.db2.gz QFJNPEUQNWGCFV-GOEBONIOSA-N 1 1 329.437 2.622 40 0 EFABMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000245339054 243102587 /nfs/dbraw/zinc/10/25/87/243102587.db2.gz QFJNPEUQNWGCFV-GOEBONIOSA-N 1 1 329.437 2.622 40 0 EFABMO COc1cccc(O[C@H](C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000020493079 212139326 /nfs/dbraw/zinc/13/93/26/212139326.db2.gz SMZGGPJQUASUDQ-IXDOHACOSA-N 1 1 348.487 2.947 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@@H]32)nc1 ZINC000253588507 244024890 /nfs/dbraw/zinc/02/48/90/244024890.db2.gz FXTISXKGGPLWQA-YZGWKJHDSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COCc4cccnc4)C[C@@H]32)nc1 ZINC000253588507 244024895 /nfs/dbraw/zinc/02/48/95/244024895.db2.gz FXTISXKGGPLWQA-YZGWKJHDSA-N 1 1 339.439 2.673 40 0 EFABMO c1cc2n(c1)[C@@H](COCc1ccncc1)C[N@@H+](CC1CCOCC1)C2 ZINC000253595444 244027669 /nfs/dbraw/zinc/02/76/69/244027669.db2.gz DLHFGHKIHWOXCW-HXUWFJFHSA-N 1 1 341.455 2.883 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@H]32)nc1 ZINC000253588505 244024791 /nfs/dbraw/zinc/02/47/91/244024791.db2.gz FXTISXKGGPLWQA-DFQSSKMNSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4cccnc4)C[C@H]32)nc1 ZINC000253588505 244024796 /nfs/dbraw/zinc/02/47/96/244024796.db2.gz FXTISXKGGPLWQA-DFQSSKMNSA-N 1 1 339.439 2.673 40 0 EFABMO c1csc(CN2CCOC[C@]3(CC[C@@H](C[NH+]4CCCC4)O3)C2)c1 ZINC000253596938 244032175 /nfs/dbraw/zinc/03/21/75/244032175.db2.gz YHQPVYQVOWOHRO-WMZOPIPTSA-N 1 1 336.501 2.594 40 0 EFABMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CC[NH+](C)CC1 ZINC000020412276 212126509 /nfs/dbraw/zinc/12/65/09/212126509.db2.gz ZUKCIQSRUJAJJS-QQTQMKHKSA-N 1 1 332.488 2.692 40 0 biogenic EFABMO c1cncc(C[C@@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)c1 ZINC000257206180 244134616 /nfs/dbraw/zinc/13/46/16/244134616.db2.gz BCEVBWBNBOHBTE-SFHVURJKSA-N 1 1 337.471 2.927 40 0 EFABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccnn2C(C)C)nc1 ZINC000257203811 244127306 /nfs/dbraw/zinc/12/73/06/244127306.db2.gz ARSLEXYEQVTBKD-LJQANCHMSA-N 1 1 341.459 2.832 40 0 EFABMO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)nc1 ZINC000257203811 244127314 /nfs/dbraw/zinc/12/73/14/244127314.db2.gz ARSLEXYEQVTBKD-LJQANCHMSA-N 1 1 341.459 2.832 40 0 EFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccsc2)C1 ZINC000257207449 244139371 /nfs/dbraw/zinc/13/93/71/244139371.db2.gz BHUFSNZWQKDDBU-SFHVURJKSA-N 1 1 348.443 2.596 40 0 EFABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257211392 244155174 /nfs/dbraw/zinc/15/51/74/244155174.db2.gz BYRDGETZXFKHGS-IBGZPJMESA-N 1 1 349.438 2.931 40 0 EFABMO Cc1ncsc1C[NH+]1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257222535 244187533 /nfs/dbraw/zinc/18/75/33/244187533.db2.gz DTRBQARXCHLWBK-UHFFFAOYSA-N 1 1 345.516 2.758 40 0 EFABMO CCc1[nH+]ccn1CCC(=O)N1CCC(C)(c2nccs2)CC1 ZINC000257223296 244191177 /nfs/dbraw/zinc/19/11/77/244191177.db2.gz DWSCKQGGGZMQGK-UHFFFAOYSA-N 1 1 332.473 2.872 40 0 EFABMO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257227252 244203330 /nfs/dbraw/zinc/20/33/30/244203330.db2.gz FOIJERFKPXTDRE-INIZCTEOSA-N 1 1 327.428 2.879 40 0 EFABMO CC(=O)Nc1cccc([C@@H]2C[N@H+](C(C)C)C[C@]23CCCCC(=O)N3)c1 ZINC000257229948 244210664 /nfs/dbraw/zinc/21/06/64/244210664.db2.gz GACQEQKBACJLIH-AZUAARDMSA-N 1 1 343.471 2.882 40 0 EFABMO c1csc(C[N@@H+]2CCC[C@H]2c2cncc(CN3CCOCC3)n2)c1 ZINC000257231209 244212358 /nfs/dbraw/zinc/21/23/58/244212358.db2.gz GFUIIKMPIBKBOX-SFHVURJKSA-N 1 1 344.484 2.707 40 0 EFABMO Cn1nccc1CN1CC[N@@H+](C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257231577 244214882 /nfs/dbraw/zinc/21/48/82/244214882.db2.gz GHIQQZJVUFQLJG-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO CCCn1ccnc1C[N@@H+]1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257220091 244181234 /nfs/dbraw/zinc/18/12/34/244181234.db2.gz DJMFZDIARQLMIV-OAHLLOKOSA-N 1 1 328.464 2.580 40 0 EFABMO CCCn1ccnc1C[N@H+]1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257220091 244181241 /nfs/dbraw/zinc/18/12/41/244181241.db2.gz DJMFZDIARQLMIV-OAHLLOKOSA-N 1 1 328.464 2.580 40 0 EFABMO CC(=O)Nc1nc(C)c(-c2cncc([C@H]3CCC[N@H+](C)C3)n2)s1 ZINC000257244779 244253433 /nfs/dbraw/zinc/25/34/33/244253433.db2.gz IMSFWHCKXCXFIM-LBPRGKRZSA-N 1 1 331.445 2.676 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](CC3CCOCC3)C2)n1 ZINC000257244753 244253722 /nfs/dbraw/zinc/25/37/22/244253722.db2.gz IMQCNTPAWKQIOZ-INIZCTEOSA-N 1 1 341.459 2.781 40 0 EFABMO CCn1nc(C)c(C[N@@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)c1C ZINC000257233425 244219601 /nfs/dbraw/zinc/21/96/01/244219601.db2.gz GPFFDVUQOGFHFD-HXUWFJFHSA-N 1 1 340.471 2.925 40 0 EFABMO CCn1nc(C)c(C[N@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)c1C ZINC000257233425 244219606 /nfs/dbraw/zinc/21/96/06/244219606.db2.gz GPFFDVUQOGFHFD-HXUWFJFHSA-N 1 1 340.471 2.925 40 0 EFABMO Nc1cc(CC[C@@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)ccn1 ZINC000257234065 244223143 /nfs/dbraw/zinc/22/31/43/244223143.db2.gz GRXOKROWBINHHB-QGZVFWFLSA-N 1 1 336.439 2.979 40 0 EFABMO Nc1cc(CC[C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)ccn1 ZINC000257234065 244223148 /nfs/dbraw/zinc/22/31/48/244223148.db2.gz GRXOKROWBINHHB-QGZVFWFLSA-N 1 1 336.439 2.979 40 0 EFABMO Cc1nn(C)c2nc([C@]3(C)CCC[N@H+](C4CCOCC4)C3)ccc12 ZINC000257237397 244232217 /nfs/dbraw/zinc/23/22/17/244232217.db2.gz HGGQCYNITVENBW-LJQANCHMSA-N 1 1 328.460 2.809 40 0 EFABMO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257259508 244293980 /nfs/dbraw/zinc/29/39/80/244293980.db2.gz KYRGELJXSMRHNK-LJQANCHMSA-N 1 1 349.438 2.931 40 0 EFABMO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257259508 244293983 /nfs/dbraw/zinc/29/39/83/244293983.db2.gz KYRGELJXSMRHNK-LJQANCHMSA-N 1 1 349.438 2.931 40 0 EFABMO c1csc([C@H]2CCC[N@H+](Cc3ccnc(N4CCCC4)n3)C2)n1 ZINC000257253663 244276268 /nfs/dbraw/zinc/27/62/68/244276268.db2.gz JZUDZCIHKSLECP-AWEZNQCLSA-N 1 1 329.473 2.913 40 0 EFABMO CO[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C)C[C@@]12CCCO2 ZINC000257255168 244279841 /nfs/dbraw/zinc/27/98/41/244279841.db2.gz KGKAJAGVBYYERJ-LPHOPBHVSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2C)C[C@@]12CCCO2 ZINC000257255168 244279848 /nfs/dbraw/zinc/27/98/48/244279848.db2.gz KGKAJAGVBYYERJ-LPHOPBHVSA-N 1 1 332.444 2.512 40 0 EFABMO CCOc1ccc(C[N@H+]2CC[C@H](c3nccc(C)n3)C2)cc1CO ZINC000257256097 244282979 /nfs/dbraw/zinc/28/29/79/244282979.db2.gz KKBHICRCOGBSFQ-INIZCTEOSA-N 1 1 327.428 2.666 40 0 EFABMO O=C1O[C@@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccccc1)C2 ZINC000257269183 244369991 /nfs/dbraw/zinc/36/99/91/244369991.db2.gz MOXFGYKUWXBPFR-FQEVSTJZSA-N 1 1 338.407 2.914 40 0 EFABMO Cc1cncc(C[N@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)c1 ZINC000257261099 244346604 /nfs/dbraw/zinc/34/66/04/244346604.db2.gz LFSBJDNQYNSQCC-GOSISDBHSA-N 1 1 336.439 2.729 40 0 EFABMO O[C@H]1CN(Cc2cscn2)CC[C@@]12CCC[N@H+]2Cc1ccccc1 ZINC000257260951 244348061 /nfs/dbraw/zinc/34/80/61/244348061.db2.gz LFEKWZAPXFLSLF-OALUTQOASA-N 1 1 343.496 2.745 40 0 EFABMO c1c[nH]c(C[NH+]2CCC(c3ccnc(Nc4ncccn4)c3)CC2)n1 ZINC000257275153 244391015 /nfs/dbraw/zinc/39/10/15/244391015.db2.gz NOCBWNXDTSDKAX-UHFFFAOYSA-N 1 1 335.415 2.718 40 0 EFABMO CCc1cc(C[C@@H]2CCC[N@@H+](CCC(N)=O)CC2)c2cnccc2n1 ZINC000257278316 244397614 /nfs/dbraw/zinc/39/76/14/244397614.db2.gz OBTBTKDPLDPXNV-OAHLLOKOSA-N 1 1 340.471 2.712 40 0 EFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000019657623 212054771 /nfs/dbraw/zinc/05/47/71/212054771.db2.gz ZSIGFOHORUARQF-UHFFFAOYSA-N 1 1 337.427 2.782 40 0 EFABMO C[NH+]1CCN(C(=O)Cn2c(-c3cccs3)cc3cccnc32)CC1 ZINC000019589764 212049558 /nfs/dbraw/zinc/04/95/58/212049558.db2.gz ZAUUFJOQNMYAFD-UHFFFAOYSA-N 1 1 340.452 2.539 40 0 EFABMO COc1ccc(-c2[nH]c3ncccc3c2CN2CC[NH+](C)CC2)cc1 ZINC000019590056 212049417 /nfs/dbraw/zinc/04/94/17/212049417.db2.gz HWAQJXODMUGHGA-UHFFFAOYSA-N 1 1 336.439 2.986 40 0 EFABMO C[N@H+]1CCc2nc(C3CCN(C(=O)C4CCCCC4)CC3)ncc2C1 ZINC000019590660 212048553 /nfs/dbraw/zinc/04/85/53/212048553.db2.gz RYSURPOSIZLWTG-UHFFFAOYSA-N 1 1 342.487 2.751 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CCCCC3)ncc2C1 ZINC000019590497 212047948 /nfs/dbraw/zinc/04/79/48/212047948.db2.gz OWNMTGYKSWQOMF-QGZVFWFLSA-N 1 1 328.460 2.708 40 0 EFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000019572929 212045784 /nfs/dbraw/zinc/04/57/84/212045784.db2.gz BIKJXHBBZGMCIA-IEBWSBKVSA-N 1 1 340.471 2.966 40 0 EFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000019572929 212045788 /nfs/dbraw/zinc/04/57/88/212045788.db2.gz BIKJXHBBZGMCIA-IEBWSBKVSA-N 1 1 340.471 2.966 40 0 EFABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575126 212045317 /nfs/dbraw/zinc/04/53/17/212045317.db2.gz HEMNDFAKYONICJ-KGLIPLIRSA-N 1 1 330.457 2.889 40 0 EFABMO CCCn1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)c2ccccc21 ZINC000019526074 212037566 /nfs/dbraw/zinc/03/75/66/212037566.db2.gz CZQHKJLDODTLBU-RYQLBKOJSA-N 1 1 327.472 2.691 40 0 EFABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)no1 ZINC000019503724 212035590 /nfs/dbraw/zinc/03/55/90/212035590.db2.gz KQDLYIANGVHBTP-HNNXBMFYSA-N 1 1 328.416 2.589 40 0 EFABMO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC000019401426 212026103 /nfs/dbraw/zinc/02/61/03/212026103.db2.gz SJOUZXDSIDHIGI-HTZLVSCSSA-N 1 1 348.450 2.989 40 0 EFABMO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccccc3F)C2)Oc2ccccc21 ZINC000019349068 212019816 /nfs/dbraw/zinc/01/98/16/212019816.db2.gz IZMITGYQLFKWBK-HXUWFJFHSA-N 1 1 340.398 2.983 40 0 EFABMO O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3F)C2)Oc2ccccc21 ZINC000019349068 212019819 /nfs/dbraw/zinc/01/98/19/212019819.db2.gz IZMITGYQLFKWBK-HXUWFJFHSA-N 1 1 340.398 2.983 40 0 EFABMO O=c1cc(-c2cccnc2)nc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339110 212018672 /nfs/dbraw/zinc/01/86/72/212018672.db2.gz CSRWABVXGDHDMR-KRWDZBQOSA-N 1 1 347.422 2.607 40 0 EFABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccn1-c1cccc(F)c1 ZINC000019294370 212013423 /nfs/dbraw/zinc/01/34/23/212013423.db2.gz BIHZBQXKQZDBLM-OALUTQOASA-N 1 1 343.446 2.647 40 0 EFABMO OCC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccn1-c1cccc(F)c1 ZINC000019294369 212012798 /nfs/dbraw/zinc/01/27/98/212012798.db2.gz BIHZBQXKQZDBLM-MOPGFXCFSA-N 1 1 343.446 2.647 40 0 EFABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cccc(C)n4)C3)cc(N)n2n1 ZINC000019236224 212007423 /nfs/dbraw/zinc/00/74/23/212007423.db2.gz FTPRYAHYQOTPDT-OAHLLOKOSA-N 1 1 336.443 2.703 40 0 EFABMO CCN1CC[NH+](CCC(=O)NC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000078394403 217046361 /nfs/dbraw/zinc/04/63/61/217046361.db2.gz YADXCQSENOUCDI-UHFFFAOYSA-N 1 1 349.906 2.863 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000078394323 217046443 /nfs/dbraw/zinc/04/64/43/217046443.db2.gz XCALAKMQEKKWGU-HNNXBMFYSA-N 1 1 329.444 2.638 40 0 EFABMO Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000078996654 217169864 /nfs/dbraw/zinc/16/98/64/217169864.db2.gz GEYZLARRRKXHFC-KBXCAEBGSA-N 1 1 340.471 2.879 40 0 EFABMO C[N@@H+](Cc1nc2c(cccc2F)[nH]1)C[C@H](O)COCc1ccccc1 ZINC000079311510 217207515 /nfs/dbraw/zinc/20/75/15/217207515.db2.gz YMDOKIPEUNGUBT-HNNXBMFYSA-N 1 1 343.402 2.712 40 0 EFABMO C[N@H+](Cc1nc2c(cccc2F)[nH]1)C[C@H](O)COCc1ccccc1 ZINC000079311510 217207519 /nfs/dbraw/zinc/20/75/19/217207519.db2.gz YMDOKIPEUNGUBT-HNNXBMFYSA-N 1 1 343.402 2.712 40 0 EFABMO COC(=O)CC[N@H+](Cc1cccc2cccnc21)C[C@@H]1CCCO1 ZINC000079354507 217213069 /nfs/dbraw/zinc/21/30/69/217213069.db2.gz MLGSLMOTCQMZEG-KRWDZBQOSA-N 1 1 328.412 2.779 40 0 EFABMO CSC[C@@H](C)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110667438 220054124 /nfs/dbraw/zinc/05/41/24/220054124.db2.gz PKCLNZISOXPMJR-OAGGEKHMSA-N 1 1 342.549 2.723 40 0 EFABMO O=C(N[C@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390936 217217817 /nfs/dbraw/zinc/21/78/17/217217817.db2.gz NZZLMXNIPUTZKV-ROUUACIJSA-N 1 1 332.444 2.681 40 0 EFABMO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000110677963 220055249 /nfs/dbraw/zinc/05/52/49/220055249.db2.gz DAXGSWATMUXOHS-RDTXWAMCSA-N 1 1 336.863 2.972 40 0 EFABMO Cc1nc(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cs1 ZINC000080508879 217310185 /nfs/dbraw/zinc/31/01/85/217310185.db2.gz GSYNIJIDYOQAEZ-QGZVFWFLSA-N 1 1 347.459 2.914 40 0 EFABMO Cc1nc(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cs1 ZINC000080508879 217310189 /nfs/dbraw/zinc/31/01/89/217310189.db2.gz GSYNIJIDYOQAEZ-QGZVFWFLSA-N 1 1 347.459 2.914 40 0 EFABMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000012444479 211385316 /nfs/dbraw/zinc/38/53/16/211385316.db2.gz TYRIXZZGNXRYMO-UHFFFAOYSA-N 1 1 339.226 2.689 40 0 EFABMO CCn1cc[nH+]c1N1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 ZINC000012444568 211384905 /nfs/dbraw/zinc/38/49/05/211384905.db2.gz XQXRFOVPHFXXLM-UHFFFAOYSA-N 1 1 348.834 2.527 40 0 EFABMO CCCO[C@H]1CCC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012241464 211328642 /nfs/dbraw/zinc/32/86/42/211328642.db2.gz QJAPKVSCHNOLBQ-INIZCTEOSA-N 1 1 329.444 2.518 40 0 EFABMO CCCO[C@@H]1CCC[N@@H+](Cc2cn(CC(N)=O)c3ccccc23)C1 ZINC000012241459 211327918 /nfs/dbraw/zinc/32/79/18/211327918.db2.gz QJAPKVSCHNOLBQ-MRXNPFEDSA-N 1 1 329.444 2.518 40 0 EFABMO C[C@H](C[N@H+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012185066 211312488 /nfs/dbraw/zinc/31/24/88/211312488.db2.gz GWGNBJHBMASGSZ-OAHLLOKOSA-N 1 1 338.455 2.532 40 0 EFABMO CC[N@@H+]1CCc2noc(C3CCN(C(=O)c4cscn4)CC3)c2C1 ZINC000012119728 211297736 /nfs/dbraw/zinc/29/77/36/211297736.db2.gz KKRUMUGDLDAJQX-UHFFFAOYSA-N 1 1 346.456 2.529 40 0 EFABMO CC[N@H+]1CCc2noc(C3CCN(C(=O)c4cscn4)CC3)c2C1 ZINC000012119728 211297741 /nfs/dbraw/zinc/29/77/41/211297741.db2.gz KKRUMUGDLDAJQX-UHFFFAOYSA-N 1 1 346.456 2.529 40 0 EFABMO COc1ccc(C[N@@H+](Cc2[nH]cnc2C)C[C@@H]2CCCO2)cc1OC ZINC000012116794 211296018 /nfs/dbraw/zinc/29/60/18/211296018.db2.gz CQZASXDJIWMTOY-INIZCTEOSA-N 1 1 345.443 2.917 40 0 EFABMO COc1ccc(C[N@H+](Cc2[nH]cnc2C)C[C@@H]2CCCO2)cc1OC ZINC000012116794 211296021 /nfs/dbraw/zinc/29/60/21/211296021.db2.gz CQZASXDJIWMTOY-INIZCTEOSA-N 1 1 345.443 2.917 40 0 EFABMO C[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000012148642 211307173 /nfs/dbraw/zinc/30/71/73/211307173.db2.gz NNEGDVHHAAPLRP-OAHLLOKOSA-N 1 1 341.459 2.508 40 0 EFABMO COc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000093683172 218242541 /nfs/dbraw/zinc/24/25/41/218242541.db2.gz YGAXZQZUKPATPB-CYBMUJFWSA-N 1 1 330.350 2.586 40 0 EFABMO Cc1nc(-c2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000095393067 218324945 /nfs/dbraw/zinc/32/49/45/218324945.db2.gz KYJZDFMNSJVWBU-AWEZNQCLSA-N 1 1 342.443 2.897 40 0 EFABMO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000095409688 218346863 /nfs/dbraw/zinc/34/68/63/218346863.db2.gz ZJEVVRJGGITSDO-JZXOWHBKSA-N 1 1 333.476 2.826 40 0 EFABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000096100333 218593464 /nfs/dbraw/zinc/59/34/64/218593464.db2.gz IGHZLYVOKCIVGS-OAQYLSRUSA-N 1 1 333.435 2.982 40 0 EFABMO Cc1csc(N(C)C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000096418470 218782180 /nfs/dbraw/zinc/78/21/80/218782180.db2.gz UTRCNRNLENMLKU-INIZCTEOSA-N 1 1 345.468 2.705 40 0 EFABMO Cc1csc(N(C)C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000096418470 218782182 /nfs/dbraw/zinc/78/21/82/218782182.db2.gz UTRCNRNLENMLKU-INIZCTEOSA-N 1 1 345.468 2.705 40 0 EFABMO CCOc1cccc(CCNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000097234385 219001826 /nfs/dbraw/zinc/00/18/26/219001826.db2.gz GMNGTXJUZDIFNE-IEBWSBKVSA-N 1 1 345.487 2.754 40 0 EFABMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000097238283 219003312 /nfs/dbraw/zinc/00/33/12/219003312.db2.gz LZPQDRRCBQAENV-LJQANCHMSA-N 1 1 342.414 2.712 40 0 EFABMO c1ccc(COc2ccccc2C[N@@H+]2CCCC3(C2)OCCO3)nc1 ZINC000097236898 219003393 /nfs/dbraw/zinc/00/33/93/219003393.db2.gz CSKNTCFYZZRGPP-UHFFFAOYSA-N 1 1 340.423 3.000 40 0 EFABMO c1ccc(COc2ccccc2C[N@H+]2CCCC3(C2)OCCO3)nc1 ZINC000097236898 219003397 /nfs/dbraw/zinc/00/33/97/219003397.db2.gz CSKNTCFYZZRGPP-UHFFFAOYSA-N 1 1 340.423 3.000 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000097378894 219020455 /nfs/dbraw/zinc/02/04/55/219020455.db2.gz PQIPRVZOMOXOTK-KXBFYZLASA-N 1 1 348.450 2.742 40 0 EFABMO O[C@@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)CCO2 ZINC000036741384 132393267 /nfs/dbraw/zinc/39/32/67/132393267.db2.gz RIZRQYPSIVIWLO-IBGZPJMESA-N 1 1 342.414 2.616 40 0 EFABMO C[N@H+](CC(=O)Nc1ccccc1Br)CC1=CCCOC1 ZINC000350052944 142394839 /nfs/dbraw/zinc/39/48/39/142394839.db2.gz LRPYGUMHLYCKQY-UHFFFAOYSA-N 1 1 339.233 2.666 40 0 EFABMO C[N@@H+](CC(=O)Nc1ccccc1Br)CC1=CCCOC1 ZINC000350052944 142394841 /nfs/dbraw/zinc/39/48/41/142394841.db2.gz LRPYGUMHLYCKQY-UHFFFAOYSA-N 1 1 339.233 2.666 40 0 EFABMO Cc1c([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)nnn1-c1ccc(Cl)cc1 ZINC000183571087 273048134 /nfs/dbraw/zinc/04/81/34/273048134.db2.gz KOTACLLLDAJELH-CORIIIEPSA-N 1 1 332.835 2.817 40 0 EFABMO CCc1nc2ccccc2n1C1CC[NH+](CCS(=O)(=O)CC)CC1 ZINC000093300175 273775187 /nfs/dbraw/zinc/77/51/87/273775187.db2.gz UKTRCFITQPYLKA-UHFFFAOYSA-N 1 1 349.500 2.670 40 0 EFABMO O=c1c2ccccc2nc2n1C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccccc1 ZINC000019371559 275043246 /nfs/dbraw/zinc/04/32/46/275043246.db2.gz QMOWGMCEYDFDFC-DLBZAZTESA-N 1 1 331.419 2.986 40 0 EFABMO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419723 276349640 /nfs/dbraw/zinc/34/96/40/276349640.db2.gz FJFLKEUPDJBBDT-UONOGXRCSA-N 1 1 337.489 2.776 40 0 EFABMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419723 276349643 /nfs/dbraw/zinc/34/96/43/276349643.db2.gz FJFLKEUPDJBBDT-UONOGXRCSA-N 1 1 337.489 2.776 40 0 EFABMO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1ccc2c(c1)OCCO2 ZINC000189127058 276441055 /nfs/dbraw/zinc/44/10/55/276441055.db2.gz PIMAZUHSZGMQRS-BXUZGUMPSA-N 1 1 329.404 2.581 40 0 EFABMO CN1C(=O)c2ccccc2[C@H](O)[C@]2(C)C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000019461864 277021996 /nfs/dbraw/zinc/02/19/96/277021996.db2.gz CDVBKHQCSLCOAU-IRFCIJBXSA-N 1 1 336.435 2.696 40 0 EFABMO C[N@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c2c1CCCCC2 ZINC000257292808 277045474 /nfs/dbraw/zinc/04/54/74/277045474.db2.gz QNAKFDFWFJBCRV-IAGOWNOFSA-N 1 1 330.476 2.768 40 0 EFABMO COc1cc2c(cc1OC)[C@@]1(C)CC(C)(C)[NH+]=C(SC)N1CC2 ZINC000001322138 277394396 /nfs/dbraw/zinc/39/43/96/277394396.db2.gz UFETWOZBNWDOMC-GOSISDBHSA-O 1 1 335.493 2.979 40 0 EFABMO Cc1cccc(C(=O)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC000096061993 281192368 /nfs/dbraw/zinc/19/23/68/281192368.db2.gz ZTVHUEAHIOKTBS-OAHLLOKOSA-N 1 1 341.459 2.644 40 0 EFABMO CCc1nnc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)o1 ZINC000097232526 323213988 /nfs/dbraw/zinc/21/39/88/323213988.db2.gz CUTXNBJFLWINEK-AWEZNQCLSA-N 1 1 338.415 2.797 40 0 EFABMO CCc1nnc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)o1 ZINC000097232526 323213991 /nfs/dbraw/zinc/21/39/91/323213991.db2.gz CUTXNBJFLWINEK-AWEZNQCLSA-N 1 1 338.415 2.797 40 0 EFABMO CCN1CC[C@@H]([NH2+]Cc2csnn2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000097371239 323214421 /nfs/dbraw/zinc/21/44/21/323214421.db2.gz WYFIZOCEUQNUFB-HIFRSBDPSA-N 1 1 342.390 2.881 40 0 EFABMO Cc1cc(C)n2c(C[NH2+][C@@H](C[S@](C)=O)c3ccccc3)cnc2n1 ZINC000154728566 323220637 /nfs/dbraw/zinc/22/06/37/323220637.db2.gz ANZOMTBGALVIJL-BXKMTCNYSA-N 1 1 342.468 2.556 40 0 EFABMO Cc1cc(C)n2c(C[NH2+][C@@H](C[S@@](C)=O)c3ccccc3)cnc2n1 ZINC000154728784 323220649 /nfs/dbraw/zinc/22/06/49/323220649.db2.gz ANZOMTBGALVIJL-XDHUDOTRSA-N 1 1 342.468 2.556 40 0 EFABMO Cc1cc(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n(C)n1 ZINC000163473397 323222817 /nfs/dbraw/zinc/22/28/17/323222817.db2.gz RAXAEWBKAWZNIO-LJQANCHMSA-N 1 1 326.444 2.513 40 0 EFABMO NC(=O)C[C@H]1CCC[N@@H+](CCCc2ccccc2Br)C1 ZINC000181940339 323256684 /nfs/dbraw/zinc/25/66/84/323256684.db2.gz QQLFAIOHXZNEPT-CYBMUJFWSA-N 1 1 339.277 2.969 40 0 EFABMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183130053 323318207 /nfs/dbraw/zinc/31/82/07/323318207.db2.gz DMWKKGRLSRMNDF-MRXNPFEDSA-N 1 1 332.492 2.768 40 0 EFABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccccc3O)n[nH]2)cc1OC ZINC000095534223 473224042 /nfs/dbraw/zinc/22/40/42/473224042.db2.gz GJPLMZQWEMWITD-MRXNPFEDSA-N 1 1 340.383 2.633 40 0 EFABMO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000081689302 473243058 /nfs/dbraw/zinc/24/30/58/473243058.db2.gz IYHGUNDDKUWQSA-CQSZACIVSA-N 1 1 348.516 2.844 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[C@H]3OCC[C@H]3[N@@H+](Cc3ccoc3)C2)CC1 ZINC000096038938 473259066 /nfs/dbraw/zinc/25/90/66/473259066.db2.gz HLASQJFIEZGUPD-KZNAEPCWSA-N 1 1 332.444 2.518 40 0 EFABMO c1cncc(OC[C@]23CCCO[C@@H]2CC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096040059 473260104 /nfs/dbraw/zinc/26/01/04/473260104.db2.gz YXNOUDZYINEKGT-WOJBJXKFSA-N 1 1 346.471 2.758 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041640 473261909 /nfs/dbraw/zinc/26/19/09/473261909.db2.gz HMWQMODRQYFRPI-XUVXKRRUSA-N 1 1 331.456 2.862 40 0 EFABMO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccccc2)C1 ZINC000096041276 473262275 /nfs/dbraw/zinc/26/22/75/473262275.db2.gz SIKDEQIYGYPMAA-QXAKKESOSA-N 1 1 340.423 2.575 40 0 EFABMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccs2)c1 ZINC000096041839 473263820 /nfs/dbraw/zinc/26/38/20/473263820.db2.gz VPBKHQIDUDLPDA-RCCFBDPRSA-N 1 1 347.484 2.783 40 0 EFABMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccs2)c1 ZINC000096041839 473263825 /nfs/dbraw/zinc/26/38/25/473263825.db2.gz VPBKHQIDUDLPDA-RCCFBDPRSA-N 1 1 347.484 2.783 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042828 473265332 /nfs/dbraw/zinc/26/53/32/473265332.db2.gz NJAYWYBTOBGUDC-USXIJHARSA-N 1 1 343.452 2.761 40 0 EFABMO C(OC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1CC1CCC1)C1CC1 ZINC000096045409 473267536 /nfs/dbraw/zinc/26/75/36/473267536.db2.gz ZQWYACGJSHMQFD-GOSISDBHSA-N 1 1 330.476 2.814 40 0 EFABMO C(OC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1CC1CCC1)C1CC1 ZINC000096045409 473267542 /nfs/dbraw/zinc/26/75/42/473267542.db2.gz ZQWYACGJSHMQFD-GOSISDBHSA-N 1 1 330.476 2.814 40 0 EFABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047618 473269166 /nfs/dbraw/zinc/26/91/66/473269166.db2.gz BQVYKLFFDUZCFZ-QAPCUYQASA-N 1 1 345.468 2.997 40 0 EFABMO COc1ccc(N[C@H]2CO[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047618 473269172 /nfs/dbraw/zinc/26/91/72/473269172.db2.gz BQVYKLFFDUZCFZ-QAPCUYQASA-N 1 1 345.468 2.997 40 0 EFABMO COCCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096047525 473270047 /nfs/dbraw/zinc/27/00/47/473270047.db2.gz LDQJDBITOCWNHG-IBGZPJMESA-N 1 1 334.435 2.819 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccoc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050764 473273022 /nfs/dbraw/zinc/27/30/22/473273022.db2.gz AMVWFFGBKFAIMD-LJQANCHMSA-N 1 1 340.379 2.637 40 0 EFABMO CN1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096050210 473273068 /nfs/dbraw/zinc/27/30/68/473273068.db2.gz STKUFVPFRNPCCH-LJQANCHMSA-N 1 1 341.480 2.671 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)nc1 ZINC000096049558 473273200 /nfs/dbraw/zinc/27/32/00/473273200.db2.gz VNTIBNKXAOXAKB-FQEVSTJZSA-N 1 1 338.455 2.596 40 0 EFABMO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000096049131 473273886 /nfs/dbraw/zinc/27/38/86/473273886.db2.gz UQDLXWKCCNOXKV-IBGZPJMESA-N 1 1 334.435 2.675 40 0 EFABMO CC(C)C(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000096049131 473273894 /nfs/dbraw/zinc/27/38/94/473273894.db2.gz UQDLXWKCCNOXKV-IBGZPJMESA-N 1 1 334.435 2.675 40 0 EFABMO CSC[C@H](C)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000096456020 473432093 /nfs/dbraw/zinc/43/20/93/473432093.db2.gz PKCLNZISOXPMJR-HRCADAONSA-N 1 1 342.549 2.723 40 0 EFABMO CC(C)[N@H+](C)C[C@@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052303 473275067 /nfs/dbraw/zinc/27/50/67/473275067.db2.gz QPYBOZQNUNPMEE-FUHWJXTLSA-N 1 1 338.517 2.838 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052303 473275074 /nfs/dbraw/zinc/27/50/74/473275074.db2.gz QPYBOZQNUNPMEE-FUHWJXTLSA-N 1 1 338.517 2.838 40 0 EFABMO O=C1[C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN1Cc1cccc(F)c1 ZINC000096053708 473275611 /nfs/dbraw/zinc/27/56/11/473275611.db2.gz MFOPUBWJVFEQQB-YOEHRIQHSA-N 1 1 330.428 2.978 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055112 473279212 /nfs/dbraw/zinc/27/92/12/473279212.db2.gz VCDMXQBQZCWDQR-DLBZAZTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055112 473279219 /nfs/dbraw/zinc/27/92/19/473279219.db2.gz VCDMXQBQZCWDQR-DLBZAZTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)c1 ZINC000096055112 473279224 /nfs/dbraw/zinc/27/92/24/473279224.db2.gz VCDMXQBQZCWDQR-DLBZAZTESA-N 1 1 329.469 2.618 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cs1 ZINC000096055033 473279756 /nfs/dbraw/zinc/27/97/56/473279756.db2.gz JHQVMIFJKJYNCS-ZWKOTPCHSA-N 1 1 329.469 2.618 40 0 EFABMO Fc1ccc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)cc1 ZINC000096055894 473279936 /nfs/dbraw/zinc/27/99/36/473279936.db2.gz JGBIUTKXKFCTPK-IPMKNSEASA-N 1 1 328.387 2.637 40 0 EFABMO Fc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)cc1 ZINC000096055894 473279941 /nfs/dbraw/zinc/27/99/41/473279941.db2.gz JGBIUTKXKFCTPK-IPMKNSEASA-N 1 1 328.387 2.637 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN4CCCC4=O)[C@H]3C2)s1 ZINC000096056243 473280652 /nfs/dbraw/zinc/28/06/52/473280652.db2.gz MRFBDESTOZDIEZ-BHYGNILZSA-N 1 1 334.485 2.516 40 0 EFABMO c1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)ccn1 ZINC000096056428 473281235 /nfs/dbraw/zinc/28/12/35/473281235.db2.gz RPUBRNRUILEYKL-VAMGGRTRSA-N 1 1 346.471 2.647 40 0 EFABMO O=C(C[C@@H]1COC[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21)N1CCCC1 ZINC000096057210 473281420 /nfs/dbraw/zinc/28/14/20/473281420.db2.gz OKWLFUZUJSJUSH-LMMKCTJWSA-N 1 1 346.446 2.533 40 0 EFABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096056036 473281966 /nfs/dbraw/zinc/28/19/66/473281966.db2.gz PSXUXIPSFFFFHU-ICSRJNTNSA-N 1 1 346.471 2.767 40 0 EFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3nccs3)C[C@@H]12 ZINC000096058460 473282856 /nfs/dbraw/zinc/28/28/56/473282856.db2.gz ODQIBWAKSHFJHS-MJGOQNOKSA-N 1 1 341.480 2.908 40 0 EFABMO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3nccs3)C[C@@H]12 ZINC000096058460 473282864 /nfs/dbraw/zinc/28/28/64/473282864.db2.gz ODQIBWAKSHFJHS-MJGOQNOKSA-N 1 1 341.480 2.908 40 0 EFABMO Fc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096062470 473285280 /nfs/dbraw/zinc/28/52/80/473285280.db2.gz MPQIKMFGBJFJGM-FQEVSTJZSA-N 1 1 341.430 2.950 40 0 EFABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]21 ZINC000096058329 473283075 /nfs/dbraw/zinc/28/30/75/473283075.db2.gz QWWJLWZZVVEXGI-LNLFQRSKSA-N 1 1 336.439 2.727 40 0 EFABMO CCOC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2ncn(CC3CC3)c21 ZINC000096060334 473283724 /nfs/dbraw/zinc/28/37/24/473283724.db2.gz AVQIVGCOCMYBCT-KRWDZBQOSA-N 1 1 333.476 2.655 40 0 EFABMO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]21)N1CCCC1 ZINC000096058263 473283787 /nfs/dbraw/zinc/28/37/87/473283787.db2.gz VJPISXJIBXHMCC-IXDOHACOSA-N 1 1 334.485 2.598 40 0 EFABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096059946 473284240 /nfs/dbraw/zinc/28/42/40/473284240.db2.gz KLUOPGLTOGNOJW-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000096059946 473284248 /nfs/dbraw/zinc/28/42/48/473284248.db2.gz KLUOPGLTOGNOJW-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@]3(CCN(C(=O)C(C)C)C3)C2)cc1F ZINC000096071109 473289823 /nfs/dbraw/zinc/28/98/23/473289823.db2.gz SVRVFKRTBACAQK-LJQANCHMSA-N 1 1 334.435 2.915 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096065416 473286566 /nfs/dbraw/zinc/28/65/66/473286566.db2.gz XBIXOCSHAJWBJT-QYZOEREBSA-N 1 1 343.427 2.635 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC000096066747 473286771 /nfs/dbraw/zinc/28/67/71/473286771.db2.gz YRGPUZDTUADNFI-UHFFFAOYSA-N 1 1 337.402 2.617 40 0 EFABMO Cn1ccnc1C[N@H+]1CCc2ncnc(-c3cccc(F)c3)c2CC1 ZINC000096066747 473286777 /nfs/dbraw/zinc/28/67/77/473286777.db2.gz YRGPUZDTUADNFI-UHFFFAOYSA-N 1 1 337.402 2.617 40 0 EFABMO O=C(NCc1ccco1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096065338 473287012 /nfs/dbraw/zinc/28/70/12/473287012.db2.gz QWJAQYOLNGDKKJ-ZACQAIPSSA-N 1 1 346.452 2.779 40 0 EFABMO O=C(NC1CCCC1)[C@H]1C[N@@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065579 473287153 /nfs/dbraw/zinc/28/71/53/473287153.db2.gz ILVCACFSCJQBHM-YESZJQIVSA-N 1 1 334.485 2.644 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)o1 ZINC000096066304 473287673 /nfs/dbraw/zinc/28/76/73/473287673.db2.gz HCLIESAMVZWNJW-QGTPRVQTSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@H]3C2)o1 ZINC000096066304 473287682 /nfs/dbraw/zinc/28/76/82/473287682.db2.gz HCLIESAMVZWNJW-QGTPRVQTSA-N 1 1 341.411 2.601 40 0 EFABMO CCS(=O)(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096071285 473289896 /nfs/dbraw/zinc/28/98/96/473289896.db2.gz ODZUEMVOYQSFGJ-KRWDZBQOSA-N 1 1 340.464 2.606 40 0 EFABMO O=C(NCCc1cccs1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](C2CCCC2)C1 ZINC000096064955 473288060 /nfs/dbraw/zinc/28/80/60/473288060.db2.gz DLFJQWAIWBRKEC-ZTFGCOKTSA-N 1 1 348.512 2.829 40 0 EFABMO Cc1ccc(C[N@@H+]2CCc3c(CN4CCOCC4)cncc3C2)s1 ZINC000096067406 473289018 /nfs/dbraw/zinc/28/90/18/473289018.db2.gz UKDLRJNKZLSDJZ-UHFFFAOYSA-N 1 1 343.496 2.842 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3c(CN4CCOCC4)cncc3C2)s1 ZINC000096067406 473289027 /nfs/dbraw/zinc/28/90/27/473289027.db2.gz UKDLRJNKZLSDJZ-UHFFFAOYSA-N 1 1 343.496 2.842 40 0 EFABMO O=C(C1CC1)N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096078131 473290292 /nfs/dbraw/zinc/29/02/92/473290292.db2.gz BIBVQUXFQQOIPT-KRWDZBQOSA-N 1 1 335.398 2.551 40 0 EFABMO Cc1nc[nH]c1CN1CCC2(CCC[N@@H+]2Cc2c(C)noc2C)CC1 ZINC000096075290 473291855 /nfs/dbraw/zinc/29/18/55/473291855.db2.gz QWCNCHKBCAUZHI-UHFFFAOYSA-N 1 1 343.475 2.954 40 0 EFABMO CN(C)CC(=O)N1CCC2(C[C@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096079209 473292007 /nfs/dbraw/zinc/29/20/07/473292007.db2.gz FNYHIFWRFVKDDX-IBGZPJMESA-N 1 1 341.499 2.649 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]3C2)cc1 ZINC000096081458 473293624 /nfs/dbraw/zinc/29/36/24/473293624.db2.gz SCQHZAKWAIGQMB-VQTJNVASSA-N 1 1 335.451 2.984 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)c1 ZINC000096082900 473293706 /nfs/dbraw/zinc/29/37/06/473293706.db2.gz GYJUAYDCOZWHPK-YTQUADARSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4ccncc4)C[C@@H]32)c1 ZINC000096082900 473293713 /nfs/dbraw/zinc/29/37/13/473293713.db2.gz GYJUAYDCOZWHPK-YTQUADARSA-N 1 1 328.412 2.871 40 0 EFABMO Cc1cc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)no1 ZINC000096106776 473298865 /nfs/dbraw/zinc/29/88/65/473298865.db2.gz RGGNELYKXLUADF-SFHVURJKSA-N 1 1 343.427 2.718 40 0 EFABMO Cc1cccc(CO[C@@H]2CO[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)n1 ZINC000096107632 473300355 /nfs/dbraw/zinc/30/03/55/473300355.db2.gz POWDVGXWNJEYKN-WMZOPIPTSA-N 1 1 345.468 2.797 40 0 EFABMO Cc1cccc(CO[C@@H]2CO[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)n1 ZINC000096107632 473300363 /nfs/dbraw/zinc/30/03/63/473300363.db2.gz POWDVGXWNJEYKN-WMZOPIPTSA-N 1 1 345.468 2.797 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107354 473300785 /nfs/dbraw/zinc/30/07/85/473300785.db2.gz QGRUYJMKIMAUHQ-QUCCMNQESA-N 1 1 339.439 2.988 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)o1 ZINC000096107767 473300843 /nfs/dbraw/zinc/30/08/43/473300843.db2.gz TUWWBKHNUBEHGN-MOPGFXCFSA-N 1 1 328.412 2.933 40 0 EFABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096108947 473302034 /nfs/dbraw/zinc/30/20/34/473302034.db2.gz PJHBMDKCCPXVAJ-QZTJIDSGSA-N 1 1 330.453 2.808 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)o1 ZINC000096108987 473302097 /nfs/dbraw/zinc/30/20/97/473302097.db2.gz KHEIOPJXPSUZPQ-APWZRJJASA-N 1 1 328.412 2.648 40 0 EFABMO CC[N@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cc3ccccc3o1)CC[C@@H]2OC ZINC000096109411 473302329 /nfs/dbraw/zinc/30/23/29/473302329.db2.gz LAQBZIRNBGCPRA-UXLLHSPISA-N 1 1 328.412 2.614 40 0 EFABMO C[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185020914 473302706 /nfs/dbraw/zinc/30/27/06/473302706.db2.gz FGIWKPACTQNWSC-CQSZACIVSA-N 1 1 337.427 2.916 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@]3(COc3nccc(C)n3)C2)o1 ZINC000096110457 473304301 /nfs/dbraw/zinc/30/43/01/473304301.db2.gz PBUCZAOSOZFEKR-MJGOQNOKSA-N 1 1 343.427 2.746 40 0 EFABMO Cc1ccc(CN2CCOC3(CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000096158888 473318266 /nfs/dbraw/zinc/31/82/66/473318266.db2.gz DDVTZZACVKEGJY-FQEVSTJZSA-N 1 1 344.499 2.698 40 0 EFABMO Cn1cc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3[N@@H+](C)Cc2cccnc2)cn1 ZINC000096182898 473324697 /nfs/dbraw/zinc/32/46/97/473324697.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096182898 473324707 /nfs/dbraw/zinc/32/47/07/473324707.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1cccnc1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096182898 473324715 /nfs/dbraw/zinc/32/47/15/473324715.db2.gz MAIJHOHUNDROQG-HSALFYBXSA-N 1 1 339.487 2.548 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccsc2)n1 ZINC000096184761 473326290 /nfs/dbraw/zinc/32/62/90/473326290.db2.gz BSMFJJHTCNAZND-ZWKOTPCHSA-N 1 1 341.480 2.869 40 0 EFABMO Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)oc1C ZINC000096184586 473327248 /nfs/dbraw/zinc/32/72/48/473327248.db2.gz XUGIDWDTVORPDY-CVEARBPZSA-N 1 1 331.441 2.842 40 0 EFABMO Cc1ccc(CC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)cc1 ZINC000096184463 473327336 /nfs/dbraw/zinc/32/73/36/473327336.db2.gz XBBXEGCSGJFIGH-VQTJNVASSA-N 1 1 342.483 2.639 40 0 EFABMO C[N@H+](Cc1ccco1)C[C@H]1OC[C@@H]2CCN(Cc3nccs3)C[C@@H]21 ZINC000096185514 473327561 /nfs/dbraw/zinc/32/75/61/473327561.db2.gz WIBIAJJQXWSPBY-BHYGNILZSA-N 1 1 347.484 2.705 40 0 EFABMO Cc1cccc(C[N@@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]32)n1 ZINC000096185974 473327715 /nfs/dbraw/zinc/32/77/15/473327715.db2.gz ORQWHQHBUVGHJQ-AQNXPRMDSA-N 1 1 341.455 2.847 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@H](OCC3CCOCC3)[C@H]3OCCC[C@H]32)n1 ZINC000096187082 473328816 /nfs/dbraw/zinc/32/88/16/473328816.db2.gz DCXKWCXLCCUVGA-AABGKKOBSA-N 1 1 346.471 2.565 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@@H+](Cc1ccncc1)C2 ZINC000096189154 473331066 /nfs/dbraw/zinc/33/10/66/473331066.db2.gz PVBMDWPAQUJLER-IBGZPJMESA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@H+](Cc1ccncc1)C2 ZINC000096189154 473331070 /nfs/dbraw/zinc/33/10/70/473331070.db2.gz PVBMDWPAQUJLER-IBGZPJMESA-N 1 1 349.438 2.522 40 0 EFABMO COCCO[C@@H]1CC[N@@H+](Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096200150 473335197 /nfs/dbraw/zinc/33/51/97/473335197.db2.gz GCAWPFMUUQEESH-ZWKOTPCHSA-N 1 1 332.469 2.992 40 0 EFABMO Cc1ccc2c([nH+]1)N(Cc1ccncc1)CCN(C(=O)CC1CC1)C2 ZINC000096199102 473335609 /nfs/dbraw/zinc/33/56/09/473335609.db2.gz IZWFXTKRTPXDAC-UHFFFAOYSA-N 1 1 336.439 2.934 40 0 EFABMO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1cnn(C)c1)C2 ZINC000096199090 473336215 /nfs/dbraw/zinc/33/62/15/473336215.db2.gz IGQHELWNKGIEAD-UHFFFAOYSA-N 1 1 348.454 2.541 40 0 EFABMO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@H+](Cc1cnn(C)c1)C2 ZINC000096199090 473336220 /nfs/dbraw/zinc/33/62/20/473336220.db2.gz IGQHELWNKGIEAD-UHFFFAOYSA-N 1 1 348.454 2.541 40 0 EFABMO CN1C(=O)C[C@@H](c2ccncc2)C12CC[NH+](Cc1nccs1)CC2 ZINC000096199982 473336408 /nfs/dbraw/zinc/33/64/08/473336408.db2.gz ZBDMGWGVIRYHOL-HNNXBMFYSA-N 1 1 342.468 2.519 40 0 EFABMO c1csc(C[N@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)c1 ZINC000096202238 473337166 /nfs/dbraw/zinc/33/71/66/473337166.db2.gz FTCDNDGOQIJNQI-GOSISDBHSA-N 1 1 329.469 2.872 40 0 EFABMO c1cc(C[N@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)cs1 ZINC000096202240 473337768 /nfs/dbraw/zinc/33/77/68/473337768.db2.gz CFGUUHJPVMDXRR-GOSISDBHSA-N 1 1 329.469 2.872 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccoc2)C[C@]12CCN(Cc1cccnc1)C2=O ZINC000096201716 473338044 /nfs/dbraw/zinc/33/80/44/473338044.db2.gz FUXMAAPHGDOITI-DNVCBOLYSA-N 1 1 325.412 2.545 40 0 EFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@H]2C ZINC000096201223 473338058 /nfs/dbraw/zinc/33/80/58/473338058.db2.gz ZIOQJJCCSAJNEC-AWEZNQCLSA-N 1 1 346.500 2.931 40 0 EFABMO c1csc(CN2CC[C@@]3(C2)COCC[N@@H+](Cc2ccsc2)C3)n1 ZINC000096202203 473338106 /nfs/dbraw/zinc/33/81/06/473338106.db2.gz FAJDUCVBCFSHSG-KRWDZBQOSA-N 1 1 349.525 2.929 40 0 EFABMO Cc1nc(CN2CC[C@@]3(C2)COCC[N@@H+](Cc2ccco2)C3)cs1 ZINC000096202116 473338457 /nfs/dbraw/zinc/33/84/57/473338457.db2.gz YYIRCKGTJBDCJA-SFHVURJKSA-N 1 1 347.484 2.769 40 0 EFABMO c1ncn2c1C[N@H+](Cc1ccncc1)C[C@H](COCc1ccncc1)C2 ZINC000096207370 473343316 /nfs/dbraw/zinc/34/33/16/473343316.db2.gz POTRDGRONLCACX-IBGZPJMESA-N 1 1 349.438 2.522 40 0 EFABMO c1ncn2c1C[N@@H+](Cc1ccncc1)C[C@H](COCc1ccncc1)C2 ZINC000096207370 473343324 /nfs/dbraw/zinc/34/33/24/473343324.db2.gz POTRDGRONLCACX-IBGZPJMESA-N 1 1 349.438 2.522 40 0 EFABMO CC(C)[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)NCCc2cccs2)C1 ZINC000096206982 473343500 /nfs/dbraw/zinc/34/35/00/473343500.db2.gz OCTAPIZKLXIKJI-OIISXLGYSA-N 1 1 336.501 2.542 40 0 EFABMO CCOc1cccc(C(=O)N2CCC3(C[C@H](COC)[N@@H+](C)C3)CC2)c1 ZINC000096207542 473343622 /nfs/dbraw/zinc/34/36/22/473343622.db2.gz ZTYHUPZHMLUIGN-QGZVFWFLSA-N 1 1 346.471 2.658 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccco3)CC[C@H]21)Nc1cccnc1 ZINC000096206089 473340341 /nfs/dbraw/zinc/34/03/41/473340341.db2.gz CUKHGCKCZVTSGI-OLMNPRSZSA-N 1 1 341.411 2.540 40 0 EFABMO Fc1cccnc1O[C@H]1COC2(C1)CC[NH+](Cc1nccs1)CC2 ZINC000096206343 473341340 /nfs/dbraw/zinc/34/13/40/473341340.db2.gz HEWVIWXGDUJTDW-CYBMUJFWSA-N 1 1 349.431 2.880 40 0 EFABMO c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096207530 473342384 /nfs/dbraw/zinc/34/23/84/473342384.db2.gz XGVBKIDXLFSYHG-QUCCMNQESA-N 1 1 338.455 2.960 40 0 EFABMO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2O1)NCc1ccco1 ZINC000096208074 473342526 /nfs/dbraw/zinc/34/25/26/473342526.db2.gz SPJOIQNLNWSBCH-JLJPHGGASA-N 1 1 346.452 2.637 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21)NCC1CC1 ZINC000096208290 473344134 /nfs/dbraw/zinc/34/41/34/473344134.db2.gz SACSRSGMTCBSHS-ZACQAIPSSA-N 1 1 334.485 2.501 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]12)NCc1cccs1 ZINC000096209266 473344511 /nfs/dbraw/zinc/34/45/11/473344511.db2.gz AKGKPJKZWHJWPF-DJIMGWMZSA-N 1 1 334.485 2.501 40 0 EFABMO COC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)[N@H+]1CC1CC1 ZINC000096209084 473344685 /nfs/dbraw/zinc/34/46/85/473344685.db2.gz MIWPQKUKSFPQHC-KRWDZBQOSA-N 1 1 346.471 2.704 40 0 EFABMO O=C(C[C@H]1OC[C@H]2C[N@@H+](Cc3ccco3)CC[C@H]21)Nc1cccnc1 ZINC000096209282 473344760 /nfs/dbraw/zinc/34/47/60/473344760.db2.gz CUKHGCKCZVTSGI-ZTFGCOKTSA-N 1 1 341.411 2.540 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CN2CCOCC2)O3)c1 ZINC000096209526 473345369 /nfs/dbraw/zinc/34/53/69/473345369.db2.gz AXDLWAAJHKDVQF-FUHWJXTLSA-N 1 1 336.501 2.594 40 0 EFABMO CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](Cc3cccs3)C2)O1 ZINC000096208326 473345610 /nfs/dbraw/zinc/34/56/10/473345610.db2.gz ITZGCKDUCNAKIO-RHSMWYFYSA-N 1 1 337.489 2.533 40 0 EFABMO c1csc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CNc2ncccn2)O3)n1 ZINC000096216241 473346419 /nfs/dbraw/zinc/34/64/19/473346419.db2.gz PHTPNJHJERGAHN-RHSMWYFYSA-N 1 1 345.472 2.559 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](CNc2ncccn2)O3)n1 ZINC000096216241 473346428 /nfs/dbraw/zinc/34/64/28/473346428.db2.gz PHTPNJHJERGAHN-RHSMWYFYSA-N 1 1 345.472 2.559 40 0 EFABMO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215753 473347410 /nfs/dbraw/zinc/34/74/10/473347410.db2.gz CVAWWBTXPJHINP-QGZVFWFLSA-N 1 1 331.441 2.864 40 0 EFABMO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215753 473347414 /nfs/dbraw/zinc/34/74/14/473347414.db2.gz CVAWWBTXPJHINP-QGZVFWFLSA-N 1 1 331.441 2.864 40 0 EFABMO O=C(N1CCCC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215855 473347839 /nfs/dbraw/zinc/34/78/39/473347839.db2.gz FKECFTXUVMYZIF-KRWDZBQOSA-N 1 1 334.489 2.647 40 0 EFABMO O=C(N1CCCC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215855 473347845 /nfs/dbraw/zinc/34/78/45/473347845.db2.gz FKECFTXUVMYZIF-KRWDZBQOSA-N 1 1 334.489 2.647 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](CC(=O)N4CCCC4)O[C@@H]3C2)s1 ZINC000096217586 473349387 /nfs/dbraw/zinc/34/93/87/473349387.db2.gz XAOUHCKTJDFTAA-YQQAZPJKSA-N 1 1 334.485 2.658 40 0 EFABMO COC[C@@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000096216646 473349509 /nfs/dbraw/zinc/34/95/09/473349509.db2.gz XRYRVQAQANXRSG-PZJWPPBQSA-N 1 1 338.451 2.880 40 0 EFABMO CC[N@H+]1C[C@H](COC)[C@]2(CCN(C(=O)/C=C/c3cccs3)C2)C1 ZINC000096219857 473353598 /nfs/dbraw/zinc/35/35/98/473353598.db2.gz WFOUFZBOGCHYEN-YOBDTOFLSA-N 1 1 334.485 2.578 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1OC)C2 ZINC000096217987 473350035 /nfs/dbraw/zinc/35/00/35/473350035.db2.gz DSUZRTPKOLTACE-FPOVZHCZSA-N 1 1 344.499 2.876 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000096219596 473351192 /nfs/dbraw/zinc/35/11/92/473351192.db2.gz BSMISWUCEVVFHF-BBRMVZONSA-N 1 1 334.420 2.523 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C[C@H](Nc3ccccn3)CO2)C1 ZINC000096219039 473351215 /nfs/dbraw/zinc/35/12/15/473351215.db2.gz KNKFMFCBSKUHJW-YJBOKZPZSA-N 1 1 328.416 2.532 40 0 EFABMO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(CCc1ccccc1)C2 ZINC000096219376 473351674 /nfs/dbraw/zinc/35/16/74/473351674.db2.gz FTFUZLVBSZSKEJ-SFTDATJTSA-N 1 1 328.500 2.909 40 0 EFABMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(CCc1ccccc1)C2 ZINC000096219376 473351679 /nfs/dbraw/zinc/35/16/79/473351679.db2.gz FTFUZLVBSZSKEJ-SFTDATJTSA-N 1 1 328.500 2.909 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3CC(=O)N3CCCCC3)C2)o1 ZINC000096219408 473352134 /nfs/dbraw/zinc/35/21/34/473352134.db2.gz UMZSEYLAVKGXKF-QRQLOZEOSA-N 1 1 346.471 2.828 40 0 EFABMO Fc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000096219655 473352189 /nfs/dbraw/zinc/35/21/89/473352189.db2.gz FLEVCERPNJKUPS-WMZOPIPTSA-N 1 1 346.381 2.600 40 0 EFABMO Cc1nnc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](C)C3)CC2)s1 ZINC000096220785 473354073 /nfs/dbraw/zinc/35/40/73/473354073.db2.gz HVHZKCOPSHQRFX-HNNXBMFYSA-N 1 1 336.505 2.564 40 0 EFABMO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccsc4)C[C@H]23)cn1 ZINC000096220346 473354504 /nfs/dbraw/zinc/35/45/04/473354504.db2.gz DQDOMQQXFAIZKO-CGTJXYLNSA-N 1 1 330.453 2.977 40 0 EFABMO CC[N@@H+](C)[C@H]1COC2(C1)CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000096220807 473354631 /nfs/dbraw/zinc/35/46/31/473354631.db2.gz SGPLQSCZUYAFIX-QGZVFWFLSA-N 1 1 341.455 2.883 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096219774 473354646 /nfs/dbraw/zinc/35/46/46/473354646.db2.gz WDNLJTAXRWXEAW-MAUKXSAKSA-N 1 1 344.484 2.716 40 0 EFABMO Fc1cccnc1N[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000096223000 473354896 /nfs/dbraw/zinc/35/48/96/473354896.db2.gz QPMYOHBLITWRLZ-LPHOPBHVSA-N 1 1 342.418 2.851 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000096223257 473355996 /nfs/dbraw/zinc/35/59/96/473355996.db2.gz XJWCKTVSHCYCHU-HKUYNNGSSA-N 1 1 342.418 2.851 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4csc(C)n4)C(=O)[C@H]3C2)s1 ZINC000096245109 473362980 /nfs/dbraw/zinc/36/29/80/473362980.db2.gz KKEFIUOLHJGVPJ-BBRMVZONSA-N 1 1 347.509 2.912 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ncccn2)C3)cc1 ZINC000096229122 473358480 /nfs/dbraw/zinc/35/84/80/473358480.db2.gz SYCVCOTZZULENO-HXUWFJFHSA-N 1 1 338.455 2.596 40 0 EFABMO O=C(Cc1ccccc1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228808 473358746 /nfs/dbraw/zinc/35/87/46/473358746.db2.gz ZIVOKYVJXHCLKQ-NRFANRHFSA-N 1 1 342.483 2.580 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228955 473359853 /nfs/dbraw/zinc/35/98/53/473359853.db2.gz SSMQGJPYWPCXCI-FQEVSTJZSA-N 1 1 340.471 2.539 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1ccccc1)C2 ZINC000096228955 473359862 /nfs/dbraw/zinc/35/98/62/473359862.db2.gz SSMQGJPYWPCXCI-FQEVSTJZSA-N 1 1 340.471 2.539 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccccn3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239048 473360460 /nfs/dbraw/zinc/36/04/60/473360460.db2.gz RSBVLUVIUNHMQM-LJQANCHMSA-N 1 1 343.377 2.989 40 0 EFABMO Cc1noc(C)c1CN1C[C@]2(CC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000096239402 473362216 /nfs/dbraw/zinc/36/22/16/473362216.db2.gz RBRAMJDCPQANCJ-HXUWFJFHSA-N 1 1 339.439 2.916 40 0 EFABMO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096251718 473363811 /nfs/dbraw/zinc/36/38/11/473363811.db2.gz FVFDTCJLWDXWOQ-FHWLQOOXSA-N 1 1 336.439 2.623 40 0 EFABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccno3)C[C@@H]21 ZINC000096251699 473364308 /nfs/dbraw/zinc/36/43/08/473364308.db2.gz BMOHFIFNHQVIBC-BQFCYCMXSA-N 1 1 325.412 2.925 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)n1 ZINC000096249432 473364774 /nfs/dbraw/zinc/36/47/74/473364774.db2.gz SVYFEFFWIBHZCO-VQTJNVASSA-N 1 1 338.455 2.655 40 0 EFABMO Cc1cccc(CN2CCO[C@H]3C[N@H+](Cc4ccc(F)cc4)C[C@H]32)n1 ZINC000096248833 473365124 /nfs/dbraw/zinc/36/51/24/473365124.db2.gz CYEILPKGASDVJA-UXHICEINSA-N 1 1 341.430 2.614 40 0 EFABMO Cc1cccc(CN2CCO[C@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@H]32)n1 ZINC000096248833 473365133 /nfs/dbraw/zinc/36/51/33/473365133.db2.gz CYEILPKGASDVJA-UXHICEINSA-N 1 1 341.430 2.614 40 0 EFABMO Cn1cc(C[N@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cn1 ZINC000096255272 473365821 /nfs/dbraw/zinc/36/58/21/473365821.db2.gz DKFNXGZVZCNAFU-UHFFFAOYSA-N 1 1 337.402 2.617 40 0 EFABMO CC[N@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC(C)C)nc2CC1 ZINC000096260543 473368019 /nfs/dbraw/zinc/36/80/19/473368019.db2.gz GXTGNCVTPIKCHJ-UHFFFAOYSA-N 1 1 344.503 2.806 40 0 EFABMO c1csc(C[N@@H+]2CCCn3cnc(CNc4ncccn4)c3C2)c1 ZINC000096259420 473368212 /nfs/dbraw/zinc/36/82/12/473368212.db2.gz XMLPHOLRDVGYBJ-UHFFFAOYSA-N 1 1 340.456 2.753 40 0 EFABMO c1csc(C[N@H+]2CCCn3cnc(CNc4ncccn4)c3C2)c1 ZINC000096259420 473368218 /nfs/dbraw/zinc/36/82/18/473368218.db2.gz XMLPHOLRDVGYBJ-UHFFFAOYSA-N 1 1 340.456 2.753 40 0 EFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)Cc1ccccc1)CCC2 ZINC000096259224 473368360 /nfs/dbraw/zinc/36/83/60/473368360.db2.gz YRTBJRNTYYPEOO-UHFFFAOYSA-N 1 1 340.471 2.698 40 0 EFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)Cc1ccccc1)CCC2 ZINC000096259224 473368367 /nfs/dbraw/zinc/36/83/67/473368367.db2.gz YRTBJRNTYYPEOO-UHFFFAOYSA-N 1 1 340.471 2.698 40 0 EFABMO O=C(c1ccc(F)cc1)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259298 473368498 /nfs/dbraw/zinc/36/84/98/473368498.db2.gz HFHTXABAJCMVRC-UHFFFAOYSA-N 1 1 342.418 2.664 40 0 EFABMO CCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)N=C1C ZINC000096261429 473369310 /nfs/dbraw/zinc/36/93/10/473369310.db2.gz NJBTZOQSVHYHNO-HHXXYDBFSA-N 1 1 329.419 2.687 40 0 EFABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4c(C)noc4C)C[C@@H]32)C(=O)N1CC ZINC000096261601 473370030 /nfs/dbraw/zinc/37/00/30/473370030.db2.gz UUUCXVDIEAPACI-SIXWZSSISA-N 1 1 344.459 2.543 40 0 EFABMO COC(=O)[C@@H]1CCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000083884539 473372484 /nfs/dbraw/zinc/37/24/84/473372484.db2.gz MLESGGNBMFMEHX-ZDUSSCGKSA-N 1 1 335.791 2.570 40 0 EFABMO COC(=O)[C@@H]1CCC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000083884539 473372489 /nfs/dbraw/zinc/37/24/89/473372489.db2.gz MLESGGNBMFMEHX-ZDUSSCGKSA-N 1 1 335.791 2.570 40 0 EFABMO CCOC(=O)Nc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000096404171 473380021 /nfs/dbraw/zinc/38/00/21/473380021.db2.gz WITMHNFXCVBMCE-INIZCTEOSA-N 1 1 346.431 2.957 40 0 EFABMO c1c[nH+]c([C@@H]2CCCN(c3cc(-c4ccccc4)nc4ncnn43)C2)[nH]1 ZINC000096403716 473380115 /nfs/dbraw/zinc/38/01/15/473380115.db2.gz VTWACGGAHRLREY-OAHLLOKOSA-N 1 1 345.410 2.898 40 0 EFABMO Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407588 473385852 /nfs/dbraw/zinc/38/58/52/473385852.db2.gz NGVAIKXIKMOTNS-QGZVFWFLSA-N 1 1 344.434 2.896 40 0 EFABMO C[C@H]1SCC[N@H+](CC(=O)NCc2ccccn2)[C@H]1c1ccccc1 ZINC000096411375 473391031 /nfs/dbraw/zinc/39/10/31/473391031.db2.gz HPSMFKJRMXIOAS-DNVCBOLYSA-N 1 1 341.480 2.876 40 0 EFABMO C[C@H]1SCC[N@@H+](CC(=O)NCc2ccccn2)[C@H]1c1ccccc1 ZINC000096411375 473391034 /nfs/dbraw/zinc/39/10/34/473391034.db2.gz HPSMFKJRMXIOAS-DNVCBOLYSA-N 1 1 341.480 2.876 40 0 EFABMO C[N@H+]1CCC[C@H](COC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000000177942 471331335 /nfs/dbraw/zinc/33/13/35/471331335.db2.gz BIMNSIZSDYSRHF-KRWDZBQOSA-N 1 1 339.435 2.808 40 0 EFABMO CC[C@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000002501705 471410093 /nfs/dbraw/zinc/41/00/93/471410093.db2.gz XSNMHHKCQGMGIY-DOTOQJQBSA-N 1 1 343.427 2.541 40 0 EFABMO COc1ccc(COC[C@H](O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000006008119 471529419 /nfs/dbraw/zinc/52/94/19/471529419.db2.gz PDGLJUZHLDWIOM-HLLBOEOZSA-N 1 1 337.460 2.559 40 0 EFABMO COc1cccc(Nc2nc(N)nc(C[NH+]3[C@H](C)CCC[C@H]3C)n2)c1 ZINC000007496409 471618990 /nfs/dbraw/zinc/61/89/90/471618990.db2.gz FXPDLCZPBGXTJQ-CHWSQXEVSA-N 1 1 342.447 2.969 40 0 EFABMO C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+](C)CCOc1ccccc1 ZINC000007685344 471629588 /nfs/dbraw/zinc/62/95/88/471629588.db2.gz XFYMBKYRZNNFGS-OAHLLOKOSA-N 1 1 347.459 2.544 40 0 EFABMO O=C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)NC(=O)Nc1ccccc1F ZINC000008267188 471676375 /nfs/dbraw/zinc/67/63/75/471676375.db2.gz XWUQWDSRQZOLTG-ZIAGYGMSSA-N 1 1 333.407 2.986 40 0 EFABMO Cc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c(C)n1C ZINC000012122717 471765422 /nfs/dbraw/zinc/76/54/22/471765422.db2.gz WAHHXKPALOPPPJ-UHFFFAOYSA-N 1 1 349.438 2.758 40 0 EFABMO COc1cc(C[N@H+]2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)ccc1O ZINC000012188235 471767689 /nfs/dbraw/zinc/76/76/89/471767689.db2.gz FLSZSISCYPYCPU-SJORKVTESA-N 1 1 346.471 2.870 40 0 EFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccccc2)CC3)C1 ZINC000012183101 471768094 /nfs/dbraw/zinc/76/80/94/471768094.db2.gz QHZFOGDNLITSDF-HNNXBMFYSA-N 1 1 338.455 2.565 40 0 EFABMO O=C(/C=C/c1ccc(Cl)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000013957556 471847141 /nfs/dbraw/zinc/84/71/41/471847141.db2.gz BULRTQFFHVGNFY-HWKANZROSA-N 1 1 343.254 2.845 40 0 EFABMO Fc1cccc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)c1 ZINC000013989965 471847158 /nfs/dbraw/zinc/84/71/58/471847158.db2.gz ALNIBTDFFUTBTP-UHFFFAOYSA-N 1 1 343.446 2.945 40 0 EFABMO FC(F)(F)c1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000016237506 471928149 /nfs/dbraw/zinc/92/81/49/471928149.db2.gz ROIYXBAQZGGZRL-UHFFFAOYSA-N 1 1 347.406 2.714 40 0 EFABMO Cc1cccc(OC[C@H](O)C[N@@H+](CCO)Cc2ccccc2)c1C ZINC000016779367 471949738 /nfs/dbraw/zinc/94/97/38/471949738.db2.gz GJJXZNMFSGVZOB-LJQANCHMSA-N 1 1 329.440 2.538 40 0 EFABMO C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000019079192 471976923 /nfs/dbraw/zinc/97/69/23/471976923.db2.gz XXZZFTWLJBTBND-CZUORRHYSA-N 1 1 332.835 2.613 40 0 EFABMO C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)n1cc(Cl)cn1 ZINC000019079192 471976925 /nfs/dbraw/zinc/97/69/25/471976925.db2.gz XXZZFTWLJBTBND-CZUORRHYSA-N 1 1 332.835 2.613 40 0 EFABMO CC(C)n1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2C)c2ccccc21 ZINC000019575995 471981135 /nfs/dbraw/zinc/98/11/35/471981135.db2.gz JXEUDKUXUWNLLD-RYQLBKOJSA-N 1 1 327.472 2.862 40 0 EFABMO C[N@H+]1CCC[C@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019588520 471981193 /nfs/dbraw/zinc/98/11/93/471981193.db2.gz OAFSVYGDWGIPFC-HNNXBMFYSA-N 1 1 347.422 2.516 40 0 EFABMO CC1=C(CC[N@@H+]2Cc3cn(C)nc3[C@@H](C(N)=O)C2)C(C)(C)CCC1 ZINC000019701182 471983448 /nfs/dbraw/zinc/98/34/48/471983448.db2.gz DSDAZHOSYJAIGQ-HNNXBMFYSA-N 1 1 330.476 2.721 40 0 EFABMO CCN(CC(=O)Nc1cc(C)on1)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019703911 471983631 /nfs/dbraw/zinc/98/36/31/471983631.db2.gz XDVXECDJDBRQGW-OAHLLOKOSA-N 1 1 334.464 2.650 40 0 EFABMO COc1ccc(CCO[C@H]2CCCC[C@H]2[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000034434082 471990503 /nfs/dbraw/zinc/99/05/03/471990503.db2.gz VBHQKCBVWWUUKN-KURKYZTESA-N 1 1 349.471 2.641 40 0 EFABMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](C)C1 ZINC000020680735 471993088 /nfs/dbraw/zinc/99/30/88/471993088.db2.gz WFADLTDLKZGSOQ-DOFAYWRZSA-N 1 1 347.503 2.901 40 0 EFABMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc(F)cc3)CC2)c1 ZINC000023194243 472027745 /nfs/dbraw/zinc/02/77/45/472027745.db2.gz WWIVXDDTPRMRFH-UHFFFAOYSA-N 1 1 341.430 2.686 40 0 EFABMO COc1ccccc1CCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000041345548 472057522 /nfs/dbraw/zinc/05/75/22/472057522.db2.gz JAAYSPZPWLEZBL-UHFFFAOYSA-N 1 1 328.412 2.679 40 0 EFABMO CC(C)[C@H](CNC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1)[NH+]1CCOCC1 ZINC000042029077 472107481 /nfs/dbraw/zinc/10/74/81/472107481.db2.gz FUPUAMLDLIVEPR-SRRGMWCNSA-N 1 1 346.471 2.889 40 0 EFABMO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000026781199 472148076 /nfs/dbraw/zinc/14/80/76/472148076.db2.gz LWUXYBCYDPOVBW-GOSISDBHSA-N 1 1 348.393 2.527 40 0 EFABMO Cc1noc(C)c1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000027347033 472171571 /nfs/dbraw/zinc/17/15/71/472171571.db2.gz XHOXCIJDUBHSML-MRXNPFEDSA-N 1 1 335.835 2.906 40 0 EFABMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000055377815 472175916 /nfs/dbraw/zinc/17/59/16/472175916.db2.gz HEFAQUJGOKMAPG-AWEZNQCLSA-N 1 1 332.492 2.977 40 0 EFABMO Cc1ccc(C)c([C@H](O)CN2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000075752420 472194824 /nfs/dbraw/zinc/19/48/24/472194824.db2.gz QDKMBIJEGYONPZ-HXUWFJFHSA-N 1 1 332.488 2.524 40 0 EFABMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)c1 ZINC000075838978 472205788 /nfs/dbraw/zinc/20/57/88/472205788.db2.gz OBQXZGQUEKLGRG-LJQANCHMSA-N 1 1 338.455 2.601 40 0 EFABMO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000028220957 472217127 /nfs/dbraw/zinc/21/71/27/472217127.db2.gz JTRSLFFZYOZOII-RDJZCZTQSA-N 1 1 336.863 2.847 40 0 EFABMO O=C(Cc1cccc(Cl)c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000075915692 472222092 /nfs/dbraw/zinc/22/20/92/472222092.db2.gz UGDKCAGLVKOELD-UHFFFAOYSA-N 1 1 343.858 2.664 40 0 EFABMO COc1ccc(CNC(=O)N2CCC(Cn3cc[nH+]c3C)CC2)cc1 ZINC000085436371 472247900 /nfs/dbraw/zinc/24/79/00/472247900.db2.gz NNKLAEPFUVWPRB-UHFFFAOYSA-N 1 1 342.443 2.822 40 0 EFABMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000085468134 472251965 /nfs/dbraw/zinc/25/19/65/472251965.db2.gz GVZSAKIGLXLHSH-QGZVFWFLSA-N 1 1 335.536 2.831 40 0 EFABMO C[C@@H]1CN(C)CC[N@H+]1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000085468204 472252367 /nfs/dbraw/zinc/25/23/67/472252367.db2.gz DMLDHVYMILRXSZ-OAHLLOKOSA-N 1 1 349.906 2.828 40 0 EFABMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 ZINC000085616772 472260945 /nfs/dbraw/zinc/26/09/45/472260945.db2.gz ZWNWIHYBEYGTLD-CYBMUJFWSA-N 1 1 325.840 2.569 40 0 EFABMO CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccsc2)C1 ZINC000085786551 472266734 /nfs/dbraw/zinc/26/67/34/472266734.db2.gz XQDRJLYGENAHLF-DZGCQCFKSA-N 1 1 328.503 2.557 40 0 EFABMO COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000030029839 472313102 /nfs/dbraw/zinc/31/31/02/472313102.db2.gz HCEDDYDXRHHYJY-QGZVFWFLSA-N 1 1 328.387 2.963 40 0 EFABMO COc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000030029839 472313108 /nfs/dbraw/zinc/31/31/08/472313108.db2.gz HCEDDYDXRHHYJY-QGZVFWFLSA-N 1 1 328.387 2.963 40 0 EFABMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)cc(OC)c1 ZINC000087503483 472342002 /nfs/dbraw/zinc/34/20/02/472342002.db2.gz QPARMGIBNJQDHF-DLBZAZTESA-N 1 1 344.455 2.751 40 0 EFABMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC=CCC3)C2)cc(OC)c1 ZINC000087503483 472342009 /nfs/dbraw/zinc/34/20/09/472342009.db2.gz QPARMGIBNJQDHF-DLBZAZTESA-N 1 1 344.455 2.751 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)Cc1ccccc1 ZINC000044850420 472343400 /nfs/dbraw/zinc/34/34/00/472343400.db2.gz KRDVBXPCWXFPKV-UHFFFAOYSA-N 1 1 341.436 2.800 40 0 EFABMO Cn1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cn1 ZINC000044870703 472345787 /nfs/dbraw/zinc/34/57/87/472345787.db2.gz RURHAHGGMMLZNC-INIZCTEOSA-N 1 1 332.835 2.640 40 0 EFABMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000044889921 472347686 /nfs/dbraw/zinc/34/76/86/472347686.db2.gz QRHFJKHGFIPJSN-GOSISDBHSA-N 1 1 349.434 2.576 40 0 EFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000044941617 472354907 /nfs/dbraw/zinc/35/49/07/472354907.db2.gz NNELYFOIEXTJPF-QZTJIDSGSA-N 1 1 327.428 2.615 40 0 EFABMO O=C(Cc1ccc(F)cc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000032398865 472429015 /nfs/dbraw/zinc/42/90/15/472429015.db2.gz MQTPIZAWLCQSNK-UHFFFAOYSA-N 1 1 326.415 2.933 40 0 EFABMO CCCc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000097101209 472446969 /nfs/dbraw/zinc/44/69/69/472446969.db2.gz IYMWQNWZKZGQQF-MRXNPFEDSA-N 1 1 331.460 2.825 40 0 EFABMO O=C(Nc1cccc2c1CCCC2)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000097101125 472447203 /nfs/dbraw/zinc/44/72/03/472447203.db2.gz JXURDALUHRMKKU-MRXNPFEDSA-N 1 1 343.471 2.751 40 0 EFABMO CC(C)c1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000097101102 472447309 /nfs/dbraw/zinc/44/73/09/472447309.db2.gz LTBPDIKIPIAEEH-INIZCTEOSA-N 1 1 331.460 2.996 40 0 EFABMO Cc1[nH+]ccn1-c1cncc(N[C@H](C)[C@H](O)c2ccc(F)cc2)n1 ZINC000097104622 472448730 /nfs/dbraw/zinc/44/87/30/472448730.db2.gz XAUKJTGHBUDJAI-DIFFPNOSSA-N 1 1 327.363 2.644 40 0 EFABMO c1c(CCNc2nnc(-c3ccccn3)s2)[nH+]c2n1CCCC2 ZINC000097104440 472449202 /nfs/dbraw/zinc/44/92/02/472449202.db2.gz PCTWUJWPEWIKRV-UHFFFAOYSA-N 1 1 326.429 2.788 40 0 EFABMO NC(=O)c1ccc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000032850918 472473110 /nfs/dbraw/zinc/47/31/10/472473110.db2.gz NACISXAZNLFLTP-QPJJXVBHSA-N 1 1 335.451 2.617 40 0 EFABMO CNc1ncc(C[N@@H+](Cc2ccc(OC)cc2)C[C@@H]2CCCO2)cn1 ZINC000057811310 472477999 /nfs/dbraw/zinc/47/79/99/472477999.db2.gz PGRHBYJJROOATI-SFHVURJKSA-N 1 1 342.443 2.708 40 0 EFABMO CNc1ncc(C[N@H+](Cc2ccc(OC)cc2)C[C@@H]2CCCO2)cn1 ZINC000057811310 472478006 /nfs/dbraw/zinc/47/80/06/472478006.db2.gz PGRHBYJJROOATI-SFHVURJKSA-N 1 1 342.443 2.708 40 0 EFABMO Cc1nc(N(C)C)sc1C[NH+]1CCN([C@@H](C)c2ccccn2)CC1 ZINC000097379107 472494997 /nfs/dbraw/zinc/49/49/97/472494997.db2.gz BSTWADWFLKQCST-HNNXBMFYSA-N 1 1 345.516 2.791 40 0 EFABMO CC[N@@H+](CCOc1ccc2c(C)cc(=O)oc2c1)C[C@@H]1CCOC1 ZINC000077314572 472499982 /nfs/dbraw/zinc/49/99/82/472499982.db2.gz GGKLOKXPHAXLHZ-HNNXBMFYSA-N 1 1 331.412 2.839 40 0 EFABMO O=C(CCCC[NH+]1CCOCC1)Nc1ccc(Br)cc1 ZINC000071256249 472546392 /nfs/dbraw/zinc/54/63/92/472546392.db2.gz OFAIIVIWMQTICY-UHFFFAOYSA-N 1 1 341.249 2.890 40 0 EFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2c[nH+]c(N)c(C)c2)cc1 ZINC000072218449 472634682 /nfs/dbraw/zinc/63/46/82/472634682.db2.gz MHNOGHXHOLUDTP-MRXNPFEDSA-N 1 1 331.441 2.806 40 0 EFABMO COc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072227144 472635021 /nfs/dbraw/zinc/63/50/21/472635021.db2.gz HXQJMUKTDNARAQ-HUUCEWRRSA-N 1 1 347.212 2.873 40 0 EFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccccc2Cl)cc1OC ZINC000072227082 472635287 /nfs/dbraw/zinc/63/52/87/472635287.db2.gz MOPFTJKIIMTZRG-IAGOWNOFSA-N 1 1 346.814 2.768 40 0 EFABMO CCOc1ccc(N2C(=O)[C@H]([NH3+])[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228068 472636183 /nfs/dbraw/zinc/63/61/83/472636183.db2.gz CRSVQWIHIPFAJZ-QZTJIDSGSA-N 1 1 342.395 2.518 40 0 EFABMO CSC[C@@H](C)NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000120157235 472640233 /nfs/dbraw/zinc/64/02/33/472640233.db2.gz FUEDWZKMKUPGCY-LLVKDONJSA-N 1 1 327.519 2.531 40 0 EFABMO COc1ccccc1[C@@]1(O)CCC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000072340971 472662151 /nfs/dbraw/zinc/66/21/51/472662151.db2.gz JILHQMTWRIDWPC-ZTNFWEORSA-N 1 1 341.455 2.548 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358868 472663023 /nfs/dbraw/zinc/66/30/23/472663023.db2.gz WUSMHNQPJGMGGG-OAHLLOKOSA-N 1 1 342.418 2.550 40 0 EFABMO Cc1ccc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000047219407 472672290 /nfs/dbraw/zinc/67/22/90/472672290.db2.gz JTUJYOPWPZRRPD-UHFFFAOYSA-N 1 1 337.423 2.635 40 0 EFABMO Cc1ccc(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000047276371 472683714 /nfs/dbraw/zinc/68/37/14/472683714.db2.gz NAMOHGFTCFCAGW-UHFFFAOYSA-N 1 1 338.451 2.686 40 0 EFABMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+](C)CC1OCCO1 ZINC000061992826 472726970 /nfs/dbraw/zinc/72/69/70/472726970.db2.gz NXXCEAWRSOBYOT-MXHNKVEKSA-N 1 1 349.471 2.749 40 0 biogenic EFABMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000078572311 472735596 /nfs/dbraw/zinc/73/55/96/472735596.db2.gz PQAGBGPINKEMKJ-INIZCTEOSA-N 1 1 344.480 2.974 40 0 EFABMO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCOC1 ZINC000047717340 472760028 /nfs/dbraw/zinc/76/00/28/472760028.db2.gz ICLAVARHRZCILB-LBPRGKRZSA-N 1 1 341.249 2.664 40 0 EFABMO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000091856738 472818796 /nfs/dbraw/zinc/81/87/96/472818796.db2.gz XYDVXPXUQXMDIL-LBPRGKRZSA-N 1 1 349.818 2.671 40 0 EFABMO C[N@@H+]1CC[C@@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000121372523 472843106 /nfs/dbraw/zinc/84/31/06/472843106.db2.gz VKRHWYHFCNXOQK-CVEARBPZSA-N 1 1 336.863 2.897 40 0 EFABMO C[N@H+]1CC[C@@H](NC(=O)C2(O)CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000121372523 472843110 /nfs/dbraw/zinc/84/31/10/472843110.db2.gz VKRHWYHFCNXOQK-CVEARBPZSA-N 1 1 336.863 2.897 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000073743055 472866494 /nfs/dbraw/zinc/86/64/94/472866494.db2.gz DDHBTZLDQXTPIE-CYBMUJFWSA-N 1 1 344.242 2.532 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000073743041 472866521 /nfs/dbraw/zinc/86/65/21/472866521.db2.gz IOUWOMBISMTJLQ-NSHDSACASA-N 1 1 344.242 2.532 40 0 EFABMO CCN1CC[NH+](CCC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 ZINC000073849953 472887363 /nfs/dbraw/zinc/88/73/63/472887363.db2.gz YZOCCPZHJTZVMK-UHFFFAOYSA-N 1 1 337.895 2.719 40 0 EFABMO OCc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1 ZINC000049170543 472933422 /nfs/dbraw/zinc/93/34/22/472933422.db2.gz VVCLLDWHNBJHQU-LBPRGKRZSA-N 1 1 343.358 2.951 40 0 biogenic,in-vitro EFABMO O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000107207220 472933629 /nfs/dbraw/zinc/93/36/29/472933629.db2.gz LBHNCFCVDKDCJH-ZACQAIPSSA-N 1 1 343.452 2.904 40 0 EFABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)o2)cc1 ZINC000049170254 472934686 /nfs/dbraw/zinc/93/46/86/472934686.db2.gz FFYLOHPBYMNADS-AWEZNQCLSA-N 1 1 338.415 2.515 40 0 biogenic,in-vitro EFABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)o2)cc1 ZINC000049170254 472934693 /nfs/dbraw/zinc/93/46/93/472934693.db2.gz FFYLOHPBYMNADS-AWEZNQCLSA-N 1 1 338.415 2.515 40 0 biogenic,in-vitro EFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000107226087 472935213 /nfs/dbraw/zinc/93/52/13/472935213.db2.gz KNKFMFCBSKUHJW-CRAIPNDOSA-N 1 1 328.416 2.532 40 0 EFABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](CNc4ncccn4)CC[C@@H]32)c1 ZINC000107257119 472936303 /nfs/dbraw/zinc/93/63/03/472936303.db2.gz VFJWLLKCEJOQGG-BPUTZDHNSA-N 1 1 330.457 2.630 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](CNc4ncccn4)CC[C@@H]32)c1 ZINC000107257119 472936310 /nfs/dbraw/zinc/93/63/10/472936310.db2.gz VFJWLLKCEJOQGG-BPUTZDHNSA-N 1 1 330.457 2.630 40 0 EFABMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000080079033 472972725 /nfs/dbraw/zinc/97/27/25/472972725.db2.gz TZRBKCWCHCMADT-OAHLLOKOSA-N 1 1 337.533 2.932 40 0 EFABMO O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065551657 472973711 /nfs/dbraw/zinc/97/37/11/472973711.db2.gz USIVHXFVVUGNDZ-XYDKVEKUSA-N 1 1 342.464 2.851 40 0 EFABMO c1csc(C[N@H+]2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)n1 ZINC000107713473 472976992 /nfs/dbraw/zinc/97/69/92/472976992.db2.gz IVMWITARZLAQST-VBQJREDUSA-N 1 1 330.457 2.630 40 0 EFABMO c1csc(C[N@@H+]2C[C@@H](Nc3ccccn3)[C@H]3OCCC[C@H]3C2)n1 ZINC000107713473 472976998 /nfs/dbraw/zinc/97/69/98/472976998.db2.gz IVMWITARZLAQST-VBQJREDUSA-N 1 1 330.457 2.630 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CCC3)C2)cn1 ZINC000107712528 472977247 /nfs/dbraw/zinc/97/72/47/472977247.db2.gz NPZVKGKWKHXSNQ-MOPGFXCFSA-N 1 1 333.476 2.608 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)c1 ZINC000107712187 472977405 /nfs/dbraw/zinc/97/74/05/472977405.db2.gz TUKOXHNVZJMZNW-PMACEKPBSA-N 1 1 339.439 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107730857 472978449 /nfs/dbraw/zinc/97/84/49/472978449.db2.gz IVEJELFOAQESEA-CRAIPNDOSA-N 1 1 328.416 2.614 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 ZINC000107730482 472978471 /nfs/dbraw/zinc/97/84/71/472978471.db2.gz LJPPRQLPFMBQDS-MJGOQNOKSA-N 1 1 344.434 2.795 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 ZINC000107730482 472978476 /nfs/dbraw/zinc/97/84/76/472978476.db2.gz LJPPRQLPFMBQDS-MJGOQNOKSA-N 1 1 344.434 2.795 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000107746846 472980513 /nfs/dbraw/zinc/98/05/13/472980513.db2.gz SQXOYEIHHGXUSK-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000107746846 472980524 /nfs/dbraw/zinc/98/05/24/472980524.db2.gz SQXOYEIHHGXUSK-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)s1 ZINC000107746846 472980526 /nfs/dbraw/zinc/98/05/26/472980526.db2.gz SQXOYEIHHGXUSK-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCC[NH+](C)C)s1 ZINC000107747120 472980746 /nfs/dbraw/zinc/98/07/46/472980746.db2.gz HEYIOBUAGCPJTH-CGTJXYLNSA-N 1 1 338.517 2.614 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@@H]32)c1 ZINC000107804639 472982942 /nfs/dbraw/zinc/98/29/42/472982942.db2.gz GYJUAYDCOZWHPK-NZSAHSFTSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3C[C@H](COCc4ccncc4)C[C@@H]32)c1 ZINC000107804639 472982944 /nfs/dbraw/zinc/98/29/44/472982944.db2.gz GYJUAYDCOZWHPK-NZSAHSFTSA-N 1 1 328.412 2.871 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000108525754 473034180 /nfs/dbraw/zinc/03/41/80/473034180.db2.gz GHPUNOUHEONLGO-FUHWJXTLSA-N 1 1 349.425 2.988 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000108531094 473035258 /nfs/dbraw/zinc/03/52/58/473035258.db2.gz BFHLDJFMYZFNKP-WMZOPIPTSA-N 1 1 349.425 2.988 40 0 EFABMO C[N@H+]1CCC[C@@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 ZINC000110633350 473168145 /nfs/dbraw/zinc/16/81/45/473168145.db2.gz NJAUXFJJLLIZJE-JQWIXIFHSA-N 1 1 337.474 2.804 40 0 EFABMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000110672111 473169703 /nfs/dbraw/zinc/16/97/03/473169703.db2.gz HILXCUYLIQNYJQ-ZIAGYGMSSA-N 1 1 333.398 2.987 40 0 EFABMO C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]cnc3c2)[C@H]1c1ccc(F)cc1 ZINC000110694396 473171207 /nfs/dbraw/zinc/17/12/07/473171207.db2.gz UGDVOGUYAWZWHI-FUHWJXTLSA-N 1 1 338.386 2.877 40 0 EFABMO C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]cnc3c2)[C@H]1c1ccc(F)cc1 ZINC000110694396 473171210 /nfs/dbraw/zinc/17/12/10/473171210.db2.gz UGDVOGUYAWZWHI-FUHWJXTLSA-N 1 1 338.386 2.877 40 0 EFABMO C[N@@H+](C[C@H]1CCOC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000110698746 473172064 /nfs/dbraw/zinc/17/20/64/473172064.db2.gz QOTLJDDOOGQCBJ-ABAIWWIYSA-N 1 1 326.799 2.553 40 0 EFABMO C[C@@H]1C[C@@H](NCc2nnc3ccccn32)C[N@@H+](Cc2ccccc2)C1 ZINC000136893002 473183222 /nfs/dbraw/zinc/18/32/22/473183222.db2.gz AEEXITJTXLTQPL-SJLPKXTDSA-N 1 1 335.455 2.730 40 0 EFABMO C[C@@H]1C[C@@H]([NH2+]Cc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136893002 473183229 /nfs/dbraw/zinc/18/32/29/473183229.db2.gz AEEXITJTXLTQPL-SJLPKXTDSA-N 1 1 335.455 2.730 40 0 EFABMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000096414385 473393998 /nfs/dbraw/zinc/39/39/98/473393998.db2.gz RMYPVFHIYFFKQR-MRXNPFEDSA-N 1 1 338.411 2.757 40 0 EFABMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000096414385 473394003 /nfs/dbraw/zinc/39/40/03/473394003.db2.gz RMYPVFHIYFFKQR-MRXNPFEDSA-N 1 1 338.411 2.757 40 0 EFABMO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC=CC1 ZINC000096419250 473398035 /nfs/dbraw/zinc/39/80/35/473398035.db2.gz QWEBSNXGHDWKOW-UHFFFAOYSA-N 1 1 341.499 2.667 40 0 EFABMO NS(=O)(=O)CC[N@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000096419567 473398095 /nfs/dbraw/zinc/39/80/95/473398095.db2.gz VJQVJEGYRPNTGK-CYBMUJFWSA-N 1 1 336.379 2.521 40 0 EFABMO CC(=O)Nc1cccc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000096424273 473402727 /nfs/dbraw/zinc/40/27/27/473402727.db2.gz BEDSUYHEUZRFPA-MRXNPFEDSA-N 1 1 338.455 2.919 40 0 EFABMO CC(=O)Nc1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000096424273 473402729 /nfs/dbraw/zinc/40/27/29/473402729.db2.gz BEDSUYHEUZRFPA-MRXNPFEDSA-N 1 1 338.455 2.919 40 0 EFABMO Cc1nc(C2CC[NH+]([C@@H]3CCN(c4ccc(C)cc4)C3=O)CC2)no1 ZINC000096424172 473402790 /nfs/dbraw/zinc/40/27/90/473402790.db2.gz SFIQVEWFTSWHIL-QGZVFWFLSA-N 1 1 340.427 2.671 40 0 EFABMO COCC[N@H+]1CC[C@@H](NC(=O)c2sc3ccc(OC)cc3c2C)C1 ZINC000096426449 473404929 /nfs/dbraw/zinc/40/49/29/473404929.db2.gz IKBKHKOTODAANT-CYBMUJFWSA-N 1 1 348.468 2.669 40 0 EFABMO Cc1ccc(F)cc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000096425912 473405003 /nfs/dbraw/zinc/40/50/03/473405003.db2.gz FYFSBMAJBMXECN-UHFFFAOYSA-N 1 1 347.478 2.814 40 0 EFABMO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000096426854 473406474 /nfs/dbraw/zinc/40/64/74/473406474.db2.gz HRZRBEIPJPMQGE-RBUKOAKNSA-N 1 1 330.472 2.926 40 0 EFABMO C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435886 473414851 /nfs/dbraw/zinc/41/48/51/473414851.db2.gz FALIYFLAPBQPSU-VQIMIIECSA-N 1 1 339.439 2.550 40 0 EFABMO C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccncc1 ZINC000096435886 473414858 /nfs/dbraw/zinc/41/48/58/473414858.db2.gz FALIYFLAPBQPSU-VQIMIIECSA-N 1 1 339.439 2.550 40 0 EFABMO C[N@H+]1CCC[C@H](CN[C@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000096437165 473416484 /nfs/dbraw/zinc/41/64/84/473416484.db2.gz MUAFWYMDBAZTJO-BPQIPLTHSA-N 1 1 343.496 2.947 40 0 EFABMO Cc1cnccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096436401 473416687 /nfs/dbraw/zinc/41/66/87/473416687.db2.gz WMPQFFRRONHZAS-KRWDZBQOSA-N 1 1 325.412 2.620 40 0 EFABMO Cc1cnccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096436401 473416692 /nfs/dbraw/zinc/41/66/92/473416692.db2.gz WMPQFFRRONHZAS-KRWDZBQOSA-N 1 1 325.412 2.620 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000096440799 473418827 /nfs/dbraw/zinc/41/88/27/473418827.db2.gz FOSYGQLBEKXMCV-OALUTQOASA-N 1 1 347.478 2.606 40 0 EFABMO COC(C)(C)C[C@@H](C)NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000096440383 473419011 /nfs/dbraw/zinc/41/90/11/473419011.db2.gz LSQFHCZKMKLBFW-OAHLLOKOSA-N 1 1 348.491 2.862 40 0 EFABMO CSc1ccc(OCC[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000096441423 473419702 /nfs/dbraw/zinc/41/97/02/473419702.db2.gz POKGDIBRLBVYFO-OAHLLOKOSA-N 1 1 334.485 2.874 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000096441594 473420350 /nfs/dbraw/zinc/42/03/50/473420350.db2.gz FANNXJXGNSJJNA-UHFFFAOYSA-N 1 1 327.384 2.806 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000096441594 473420355 /nfs/dbraw/zinc/42/03/55/473420355.db2.gz FANNXJXGNSJJNA-UHFFFAOYSA-N 1 1 327.384 2.806 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000096441549 473420492 /nfs/dbraw/zinc/42/04/92/473420492.db2.gz OODVFFXHOXTJAC-LLVKDONJSA-N 1 1 335.395 2.766 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000096441549 473420498 /nfs/dbraw/zinc/42/04/98/473420498.db2.gz OODVFFXHOXTJAC-LLVKDONJSA-N 1 1 335.395 2.766 40 0 EFABMO C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000096445758 473423504 /nfs/dbraw/zinc/42/35/04/473423504.db2.gz FKPGJQKPCIHSAO-LIRRHRJNSA-N 1 1 327.403 2.920 40 0 EFABMO C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000096445758 473423510 /nfs/dbraw/zinc/42/35/10/473423510.db2.gz FKPGJQKPCIHSAO-LIRRHRJNSA-N 1 1 327.403 2.920 40 0 EFABMO O=C(NCC[S@](=O)c1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452090 473428864 /nfs/dbraw/zinc/42/88/64/473428864.db2.gz VMNNAMKUSSWFAV-UPCLLVRISA-N 1 1 348.512 2.565 40 0 EFABMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)N[C@H]2CCCSC2)c1 ZINC000096452319 473429286 /nfs/dbraw/zinc/42/92/86/473429286.db2.gz DOFCSGMYESEKMM-KRWDZBQOSA-N 1 1 344.484 2.935 40 0 EFABMO Cc1ncsc1CNCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000096453992 473429352 /nfs/dbraw/zinc/42/93/52/473429352.db2.gz KQODBJWXKSPAOG-UHFFFAOYSA-N 1 1 331.485 2.698 40 0 EFABMO NC(=O)c1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1F ZINC000096454189 473429879 /nfs/dbraw/zinc/42/98/79/473429879.db2.gz GAEQWJOOKOHHBE-LBPRGKRZSA-N 1 1 333.407 2.518 40 0 EFABMO O=C(C[N@@H+]1CCCN(C(=O)CC2CCCCCC2)CC1)N1CCCC1 ZINC000096455659 473430722 /nfs/dbraw/zinc/43/07/22/473430722.db2.gz URQMWNWIKQUOQV-UHFFFAOYSA-N 1 1 349.519 2.504 40 0 EFABMO O=C(C[N@H+]1CCCN(C(=O)CC2CCCCCC2)CC1)N1CCCC1 ZINC000096455659 473430729 /nfs/dbraw/zinc/43/07/29/473430729.db2.gz URQMWNWIKQUOQV-UHFFFAOYSA-N 1 1 349.519 2.504 40 0 EFABMO COc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)c(F)c1 ZINC000096476700 473439423 /nfs/dbraw/zinc/43/94/23/473439423.db2.gz ABXJBNFYGYDNHW-CYBMUJFWSA-N 1 1 337.416 2.959 40 0 EFABMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(c1ccc3nnc(C(F)F)n3n1)C2 ZINC000096480994 473441236 /nfs/dbraw/zinc/44/12/36/473441236.db2.gz CGUAXTIKJCORTO-NWDGAFQWSA-N 1 1 336.390 2.513 40 0 EFABMO Cc1nccn1CCC[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000096485961 473444251 /nfs/dbraw/zinc/44/42/51/473444251.db2.gz BINBEMNIZBJOAO-QGZVFWFLSA-N 1 1 332.492 2.743 40 0 EFABMO C[N@H+](CC(=O)Nc1ccc(Br)cc1O)[C@@H]1CCSC1 ZINC000096486449 473445022 /nfs/dbraw/zinc/44/50/22/473445022.db2.gz DVXUNRDBYVQYPC-SNVBAGLBSA-N 1 1 345.262 2.531 40 0 EFABMO C[N@@H+](CC(=O)Nc1ccc(Br)cc1O)[C@@H]1CCSC1 ZINC000096486449 473445027 /nfs/dbraw/zinc/44/50/27/473445027.db2.gz DVXUNRDBYVQYPC-SNVBAGLBSA-N 1 1 345.262 2.531 40 0 EFABMO C[C@H](C[N@H+](C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000096489422 473446193 /nfs/dbraw/zinc/44/61/93/473446193.db2.gz FKWLKNVXGATOIZ-BXUZGUMPSA-N 1 1 346.290 2.672 40 0 EFABMO C[C@H](C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000096489422 473446197 /nfs/dbraw/zinc/44/61/97/473446197.db2.gz FKWLKNVXGATOIZ-BXUZGUMPSA-N 1 1 346.290 2.672 40 0 EFABMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCCN4CCOCC4)C3)nc2c1 ZINC000096490638 473446503 /nfs/dbraw/zinc/44/65/03/473446503.db2.gz JXIDMRVLURIHIR-KRWDZBQOSA-N 1 1 342.487 2.773 40 0 EFABMO Cc1ccc2nc([C@H]3CCC[N@H+](CCCN4CCOCC4)C3)[nH]c2c1 ZINC000096490638 473446509 /nfs/dbraw/zinc/44/65/09/473446509.db2.gz JXIDMRVLURIHIR-KRWDZBQOSA-N 1 1 342.487 2.773 40 0 EFABMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCCN4CCOCC4)C3)[nH]c2c1 ZINC000096490638 473446514 /nfs/dbraw/zinc/44/65/14/473446514.db2.gz JXIDMRVLURIHIR-KRWDZBQOSA-N 1 1 342.487 2.773 40 0 EFABMO COc1ccc([C@H]2C[C@H](C)C[N@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490057 473446890 /nfs/dbraw/zinc/44/68/90/473446890.db2.gz KICXWZNZWHGSPQ-XJKSGUPXSA-N 1 1 325.474 2.901 40 0 EFABMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096491979 473448014 /nfs/dbraw/zinc/44/80/14/473448014.db2.gz UNWCBQHFJBWZPS-SNVBAGLBSA-N 1 1 340.420 2.939 40 0 EFABMO Clc1cnccc1C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000096490843 473448037 /nfs/dbraw/zinc/44/80/37/473448037.db2.gz UIWHFRBFJTWNFF-SFHVURJKSA-N 1 1 331.847 2.898 40 0 EFABMO CC(C)[N@@H+](Cc1nc2ccccc2c(=O)n1C)C[C@H]1CCCCO1 ZINC000096493128 473448890 /nfs/dbraw/zinc/44/88/90/473448890.db2.gz ZFDMUWKTWOWMPB-OAHLLOKOSA-N 1 1 329.444 2.713 40 0 EFABMO CC(C)[N@H+](Cc1nc2ccccc2c(=O)n1C)C[C@H]1CCCCO1 ZINC000096493128 473448896 /nfs/dbraw/zinc/44/88/96/473448896.db2.gz ZFDMUWKTWOWMPB-OAHLLOKOSA-N 1 1 329.444 2.713 40 0 EFABMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096497151 473451411 /nfs/dbraw/zinc/45/14/11/473451411.db2.gz PZFORTKNLNTSBE-HOCLYGCPSA-N 1 1 334.370 2.642 40 0 EFABMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096497151 473451413 /nfs/dbraw/zinc/45/14/13/473451413.db2.gz PZFORTKNLNTSBE-HOCLYGCPSA-N 1 1 334.370 2.642 40 0 EFABMO COc1cc(-c2ccccc2)ccc1CNC[C@@H]1C[N@H+](C)CCN1C ZINC000096500609 473452659 /nfs/dbraw/zinc/45/26/59/473452659.db2.gz XCRNYSIYSXLKGC-HXUWFJFHSA-N 1 1 339.483 2.698 40 0 EFABMO COc1cc(-c2ccccc2)ccc1CNC[C@@H]1C[N@@H+](C)CCN1C ZINC000096500609 473452668 /nfs/dbraw/zinc/45/26/68/473452668.db2.gz XCRNYSIYSXLKGC-HXUWFJFHSA-N 1 1 339.483 2.698 40 0 EFABMO Cc1cnccc1CCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000096500582 473453064 /nfs/dbraw/zinc/45/30/64/473453064.db2.gz GIYAOVZRINYMLA-SJLPKXTDSA-N 1 1 344.503 2.885 40 0 EFABMO Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000096503122 473455106 /nfs/dbraw/zinc/45/51/06/473455106.db2.gz CIFBGRACDXOUCQ-HNAYVOBHSA-N 1 1 338.455 2.710 40 0 EFABMO C[C@]1(Cc2ccccc2)CCC[N@@H+]1Cc1nnnn1CC(F)(F)F ZINC000191062495 473469217 /nfs/dbraw/zinc/46/92/17/473469217.db2.gz XQUYGMIWAQBWFF-OAHLLOKOSA-N 1 1 339.365 2.833 40 0 EFABMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1nnnn1CC(F)(F)F ZINC000191062495 473469223 /nfs/dbraw/zinc/46/92/23/473469223.db2.gz XQUYGMIWAQBWFF-OAHLLOKOSA-N 1 1 339.365 2.833 40 0 EFABMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCN1CCCC1=O)c1ccccc1 ZINC000126055310 473482561 /nfs/dbraw/zinc/48/25/61/473482561.db2.gz HEKBAZOKFBZSGM-FQEVSTJZSA-N 1 1 348.450 2.875 40 0 EFABMO COC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000126504462 473520988 /nfs/dbraw/zinc/52/09/88/473520988.db2.gz UJFPOXGMMZKHLS-TZMCWYRMSA-N 1 1 344.249 2.602 40 0 EFABMO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCSC2(CCOCC2)C1 ZINC000192193149 473646251 /nfs/dbraw/zinc/64/62/51/473646251.db2.gz PNZWCMAXFFEUPO-INIZCTEOSA-N 1 1 332.469 2.538 40 0 EFABMO C[C@]1(CNC(=O)NCc2nccs2)CCC[N@H+]1Cc1ccccc1 ZINC000186355950 473658811 /nfs/dbraw/zinc/65/88/11/473658811.db2.gz WSXNPQCHIVMGEK-GOSISDBHSA-N 1 1 344.484 2.997 40 0 EFABMO COc1cc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)ccc1O ZINC000194972609 473984834 /nfs/dbraw/zinc/98/48/34/473984834.db2.gz SPAYURCBBICSDE-UHFFFAOYSA-N 1 1 347.484 2.874 40 0 EFABMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000195532002 474090479 /nfs/dbraw/zinc/09/04/79/474090479.db2.gz JLPJSNZCSGRQRN-RTBURBONSA-N 1 1 345.487 2.577 40 0 EFABMO COc1ccc(CNC(=O)C2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000195539194 474091792 /nfs/dbraw/zinc/09/17/92/474091792.db2.gz WYSKQQRKGMGDJX-UHFFFAOYSA-N 1 1 339.439 2.931 40 0 EFABMO COc1ccc(C[NH+]2CCN(C)CC2)cc1NCC1(C)CCOCC1 ZINC000195561822 474095480 /nfs/dbraw/zinc/09/54/80/474095480.db2.gz CRQVAKDNBOYVQK-UHFFFAOYSA-N 1 1 347.503 2.671 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@@H](O)C(F)(F)F ZINC000195564298 474096981 /nfs/dbraw/zinc/09/69/81/474096981.db2.gz KSMAZCXJJDTNFJ-VNQPRFMTSA-N 1 1 330.394 2.752 40 0 EFABMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc(Br)cn2)CC1 ZINC000195575058 474099228 /nfs/dbraw/zinc/09/92/28/474099228.db2.gz JWNVZKYPFHZEFG-ZDUSSCGKSA-N 1 1 341.297 2.530 40 0 EFABMO C[NH+]1CCN(C(=O)N2CCS[C@@H](c3cccs3)CC2)CC1 ZINC000219537732 474148274 /nfs/dbraw/zinc/14/82/74/474148274.db2.gz CWUBKIFHWMEDNP-CQSZACIVSA-N 1 1 325.503 2.596 40 0 EFABMO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1)c1ccco1 ZINC000247470283 474155275 /nfs/dbraw/zinc/15/52/75/474155275.db2.gz FCYHZPAMQDFLAJ-UXLLHSPISA-N 1 1 346.452 2.751 40 0 EFABMO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccsc1)c1ccco1 ZINC000247470283 474155283 /nfs/dbraw/zinc/15/52/83/474155283.db2.gz FCYHZPAMQDFLAJ-UXLLHSPISA-N 1 1 346.452 2.751 40 0 EFABMO Fc1cccnc1O[C@@H]1CSC2(C[NH+](Cc3ccccn3)C2)C1 ZINC000247529073 474173907 /nfs/dbraw/zinc/17/39/07/474173907.db2.gz OGMVQMVFJQKCIS-AWEZNQCLSA-N 1 1 331.416 2.755 40 0 EFABMO Fc1cc2ncnc(N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)c2cc1F ZINC000247562416 474183101 /nfs/dbraw/zinc/18/31/01/474183101.db2.gz ZEEMXXMUYPRTBB-PPHDSNJXSA-N 1 1 330.382 2.829 40 0 EFABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)OCCO2 ZINC000225402037 474209168 /nfs/dbraw/zinc/20/91/68/474209168.db2.gz VRKAJWSNYWBTPW-MRXNPFEDSA-N 1 1 332.444 2.842 40 0 EFABMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000225394410 474209309 /nfs/dbraw/zinc/20/93/09/474209309.db2.gz SXBFIBHZPZGVKP-QGZVFWFLSA-N 1 1 332.492 2.663 40 0 EFABMO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000225394410 474209313 /nfs/dbraw/zinc/20/93/13/474209313.db2.gz SXBFIBHZPZGVKP-QGZVFWFLSA-N 1 1 332.492 2.663 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)n1 ZINC000247833823 474213703 /nfs/dbraw/zinc/21/37/03/474213703.db2.gz ILCVDEQFRHCVRK-YXJHDRRASA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)n1 ZINC000247833823 474213709 /nfs/dbraw/zinc/21/37/09/474213709.db2.gz ILCVDEQFRHCVRK-YXJHDRRASA-N 1 1 345.468 2.734 40 0 EFABMO CCOC[C@H]1CCC[N@@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000225457634 474214221 /nfs/dbraw/zinc/21/42/21/474214221.db2.gz PLGWSVIIVIIJBP-CABCVRRESA-N 1 1 325.474 2.900 40 0 EFABMO CCOC[C@H]1CCC[N@H+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000225457634 474214226 /nfs/dbraw/zinc/21/42/26/474214226.db2.gz PLGWSVIIVIIJBP-CABCVRRESA-N 1 1 325.474 2.900 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2cccnc2)n1 ZINC000247819451 474214235 /nfs/dbraw/zinc/21/42/35/474214235.db2.gz CLZKCVLEESVYPG-XYJFISCASA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2cccnc2)n1 ZINC000247819451 474214241 /nfs/dbraw/zinc/21/42/41/474214241.db2.gz CLZKCVLEESVYPG-XYJFISCASA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)n1 ZINC000247833821 474214265 /nfs/dbraw/zinc/21/42/65/474214265.db2.gz ILCVDEQFRHCVRK-QILLFSRXSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)n1 ZINC000247833821 474214269 /nfs/dbraw/zinc/21/42/69/474214269.db2.gz ILCVDEQFRHCVRK-QILLFSRXSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(C[N@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000247831396 474214551 /nfs/dbraw/zinc/21/45/51/474214551.db2.gz LJMCCLRYLNEQDI-CWRNSKLLSA-N 1 1 331.441 2.597 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)c1 ZINC000247831396 474214558 /nfs/dbraw/zinc/21/45/58/474214558.db2.gz LJMCCLRYLNEQDI-CWRNSKLLSA-N 1 1 331.441 2.597 40 0 EFABMO c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccncc2)nc1 ZINC000247839345 474215549 /nfs/dbraw/zinc/21/55/49/474215549.db2.gz OYUIADDKLBWBPC-KSZLIROESA-N 1 1 325.412 2.535 40 0 EFABMO c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccncc2)nc1 ZINC000247839345 474215559 /nfs/dbraw/zinc/21/55/59/474215559.db2.gz OYUIADDKLBWBPC-KSZLIROESA-N 1 1 325.412 2.535 40 0 EFABMO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CS3)n1 ZINC000247863591 474216929 /nfs/dbraw/zinc/21/69/29/474216929.db2.gz HKSHVYVFFGZWEK-MRXNPFEDSA-N 1 1 327.453 2.924 40 0 EFABMO COc1cccc(C[N@H+]2CC[C@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000247894583 474222497 /nfs/dbraw/zinc/22/24/97/474222497.db2.gz CAWRHIMPIGMXPX-FXAWDEMLSA-N 1 1 343.471 2.705 40 0 EFABMO c1ccc(CO[C@H]2CSC3(C[NH+](Cc4ccccn4)C3)C2)nc1 ZINC000247915563 474225919 /nfs/dbraw/zinc/22/59/19/474225919.db2.gz ZEJBKRHEFPAMNQ-QGZVFWFLSA-N 1 1 327.453 2.753 40 0 EFABMO Cc1[nH+]ccn1C[C@H]1CCCN1c1nnc(-c2ccccn2)s1 ZINC000225597013 474227645 /nfs/dbraw/zinc/22/76/45/474227645.db2.gz OGLCMXIPMLOJQO-CYBMUJFWSA-N 1 1 326.429 2.774 40 0 EFABMO COc1cccc(-c2noc(N3CCC[C@@H]3Cn3cc[nH+]c3C)n2)c1 ZINC000225598408 474228227 /nfs/dbraw/zinc/22/82/27/474228227.db2.gz QIDLPGHOGFMJOP-OAHLLOKOSA-N 1 1 339.399 2.919 40 0 EFABMO C[N@H+]1CC[C@H](Nc2nccn3c2nnc3C2CC2)[C@@H]1c1ccccc1 ZINC000225599926 474228674 /nfs/dbraw/zinc/22/86/74/474228674.db2.gz PPAIESSKKICYPF-HOTGVXAUSA-N 1 1 334.427 2.859 40 0 EFABMO O=C([C@@H]1CCC[N@H+]1CCCCC1CCOCC1)N1CCSCC1 ZINC000225626705 474230542 /nfs/dbraw/zinc/23/05/42/474230542.db2.gz XKTAVLGFWCUZEQ-KRWDZBQOSA-N 1 1 340.533 2.623 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]21 ZINC000248025232 474245708 /nfs/dbraw/zinc/24/57/08/474245708.db2.gz JILHQMTWRIDWPC-QKYXUNIQSA-N 1 1 341.455 2.548 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)nc1 ZINC000248090873 474259074 /nfs/dbraw/zinc/25/90/74/474259074.db2.gz LKBXVLXHHFAEFN-UXHICEINSA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)nc1 ZINC000248090868 474259289 /nfs/dbraw/zinc/25/92/89/474259289.db2.gz LKBXVLXHHFAEFN-PMACEKPBSA-N 1 1 339.439 2.927 40 0 EFABMO Cc1ccc(C[NH+]2CCOC[C@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000248153204 474270242 /nfs/dbraw/zinc/27/02/42/474270242.db2.gz YIMMSJKPSSVFQZ-HKUYNNGSSA-N 1 1 336.476 2.536 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)o1 ZINC000248153204 474270250 /nfs/dbraw/zinc/27/02/50/474270250.db2.gz YIMMSJKPSSVFQZ-HKUYNNGSSA-N 1 1 336.476 2.536 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(C[C@@H](C[N@H+](C)C(C)C)CO3)C2)o1 ZINC000248153204 474270252 /nfs/dbraw/zinc/27/02/52/474270252.db2.gz YIMMSJKPSSVFQZ-HKUYNNGSSA-N 1 1 336.476 2.536 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nn1 ZINC000283060367 474288604 /nfs/dbraw/zinc/28/86/04/474288604.db2.gz JMXPHNOJVKGWKF-SJORKVTESA-N 1 1 331.391 2.712 40 0 EFABMO Cc1noc(C)c1C[C@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176281382 474429601 /nfs/dbraw/zinc/42/96/01/474429601.db2.gz IJJYOVOROGMEQO-BLLLJJGKSA-N 1 1 345.447 2.602 40 0 EFABMO O=C(N[C@H]1CC[C@H]([N@@H+](CCO)C2CC2)CC1)OCc1ccccc1 ZINC000242400262 474560072 /nfs/dbraw/zinc/56/00/72/474560072.db2.gz ASKXXIQRRRYJQK-QAQDUYKDSA-N 1 1 332.444 2.681 40 0 EFABMO CC(C)[N@@H+](CCO)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242554608 474560502 /nfs/dbraw/zinc/56/05/02/474560502.db2.gz MOIGCKVAHGYLNA-QZTJIDSGSA-N 1 1 334.460 2.927 40 0 EFABMO Cc1ccc(F)cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000245224772 474571831 /nfs/dbraw/zinc/57/18/31/474571831.db2.gz DIQJGOVLBDMMOU-ZIAGYGMSSA-N 1 1 328.453 2.675 40 0 EFABMO O=C(C[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1)Nc1ccccc1F ZINC000245266536 474572315 /nfs/dbraw/zinc/57/23/15/474572315.db2.gz JYAITQTWTJCBNG-UONOGXRCSA-N 1 1 338.448 2.751 40 0 EFABMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1)Nc1ccccc1F ZINC000245266536 474572321 /nfs/dbraw/zinc/57/23/21/474572321.db2.gz JYAITQTWTJCBNG-UONOGXRCSA-N 1 1 338.448 2.751 40 0 EFABMO O[C@@H]1CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@H]12 ZINC000245227769 474572544 /nfs/dbraw/zinc/57/25/44/474572544.db2.gz UYCRVAISBCXPHX-IACUBPJLSA-N 1 1 348.834 2.910 40 0 EFABMO CC(C)(COCc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252484699 474668814 /nfs/dbraw/zinc/66/88/14/474668814.db2.gz GEYZLWLMUAZWTP-ROUUACIJSA-N 1 1 345.487 2.908 40 0 EFABMO Cc1cc([C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)c2cccnc2)ccc1F ZINC000252495747 474678262 /nfs/dbraw/zinc/67/82/62/474678262.db2.gz OYXGBMXNNYRMSB-WMZOPIPTSA-N 1 1 348.443 2.785 40 0 EFABMO Cc1cc([C@H]([NH2+]C[C@H]2CCCS2(=O)=O)c2cccnc2)ccc1F ZINC000252495744 474679414 /nfs/dbraw/zinc/67/94/14/474679414.db2.gz OYXGBMXNNYRMSB-AEFFLSMTSA-N 1 1 348.443 2.785 40 0 EFABMO Cc1cc([C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)c2cccnc2)ccc1F ZINC000252495746 474679431 /nfs/dbraw/zinc/67/94/31/474679431.db2.gz OYXGBMXNNYRMSB-SJLPKXTDSA-N 1 1 348.443 2.785 40 0 EFABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000252515460 474691454 /nfs/dbraw/zinc/69/14/54/474691454.db2.gz KGAPFJODYSNZGE-QRVBRYPASA-N 1 1 345.464 2.587 40 0 EFABMO CN(C)C(=O)OCC[N@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252586711 474699993 /nfs/dbraw/zinc/69/99/93/474699993.db2.gz RZKOSDXVBAWACS-KGLIPLIRSA-N 1 1 346.349 2.511 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC1=CCOCC1 ZINC000253370769 474728338 /nfs/dbraw/zinc/72/83/38/474728338.db2.gz VVUZWWUATXCKBM-QFBILLFUSA-N 1 1 343.471 2.543 40 0 EFABMO CCc1nnc(CN[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)o1 ZINC000253392952 474733265 /nfs/dbraw/zinc/73/32/65/474733265.db2.gz LCKWJGOOISXZQZ-VQIMIIECSA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)o1 ZINC000253392952 474733273 /nfs/dbraw/zinc/73/32/73/474733273.db2.gz LCKWJGOOISXZQZ-VQIMIIECSA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(C[NH2+][C@@H]2CCN(C3CC3)[C@@H]2c2cccc(OC)c2)o1 ZINC000253392952 474733283 /nfs/dbraw/zinc/73/32/83/474733283.db2.gz LCKWJGOOISXZQZ-VQIMIIECSA-N 1 1 342.443 2.708 40 0 EFABMO CC(C)[N@H+]1CCN2[C@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 ZINC000253401755 474737564 /nfs/dbraw/zinc/73/75/64/474737564.db2.gz NLZQQIKSMGDOBW-KRWDZBQOSA-N 1 1 349.906 2.969 40 0 biogenic,in-vitro EFABMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000253406053 474738773 /nfs/dbraw/zinc/73/87/73/474738773.db2.gz VGMZUZCYRHDPQX-MRXNPFEDSA-N 1 1 341.459 2.724 40 0 EFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739225 /nfs/dbraw/zinc/73/92/25/474739225.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 1 1 343.515 2.828 40 0 biogenic,in-vitro EFABMO COc1ccc(CN2C[C@@H]3C[N@@H+](C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739228 /nfs/dbraw/zinc/73/92/28/474739228.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 1 1 343.515 2.828 40 0 biogenic,in-vitro EFABMO COc1ccc(CN2C[C@@H]3C[N@H+](C4CCC4)CCN3C(C)(C)C2)cc1 ZINC000253405471 474739237 /nfs/dbraw/zinc/73/92/37/474739237.db2.gz SMIZYCLXLKADIW-LJQANCHMSA-N 1 1 343.515 2.828 40 0 biogenic,in-vitro EFABMO COc1ccc(CN2C[C@@H]3C[N@H+](C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739295 /nfs/dbraw/zinc/73/92/95/474739295.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 1 1 331.504 2.684 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@@H+]2C[C@@H]3CN(C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739303 /nfs/dbraw/zinc/73/93/03/474739303.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 1 1 331.504 2.684 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(C)C)CCN3C(C)(C)C2)cc1 ZINC000253402871 474739310 /nfs/dbraw/zinc/73/93/10/474739310.db2.gz OZCSJGBECAOXTM-GOSISDBHSA-N 1 1 331.504 2.684 40 0 biogenic,in-vitro EFABMO COc1cc2c(c(OC)c1OC)CC[N@@H+](Cc1cc(C)no1)CC2 ZINC000253418919 474744161 /nfs/dbraw/zinc/74/41/61/474744161.db2.gz DYHGQCGQEFOHNG-UHFFFAOYSA-N 1 1 332.400 2.610 40 0 EFABMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)c(OC)c1 ZINC000253417976 474744407 /nfs/dbraw/zinc/74/44/07/474744407.db2.gz WDQOVTVEGFXYTQ-KRWDZBQOSA-N 1 1 342.443 2.897 40 0 EFABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)c(OC)c1 ZINC000253417976 474744410 /nfs/dbraw/zinc/74/44/10/474744410.db2.gz WDQOVTVEGFXYTQ-KRWDZBQOSA-N 1 1 342.443 2.897 40 0 EFABMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N(C)C)nc2)c(OC)c1 ZINC000253417986 474744932 /nfs/dbraw/zinc/74/49/32/474744932.db2.gz WDQOVTVEGFXYTQ-QGZVFWFLSA-N 1 1 342.443 2.897 40 0 EFABMO COc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)nc2)c(OC)c1 ZINC000253417986 474744942 /nfs/dbraw/zinc/74/49/42/474744942.db2.gz WDQOVTVEGFXYTQ-QGZVFWFLSA-N 1 1 342.443 2.897 40 0 EFABMO COC(=O)c1cccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CO)cs2)c1 ZINC000253425715 474750834 /nfs/dbraw/zinc/75/08/34/474750834.db2.gz DRACQNOTCPBXBJ-MRXNPFEDSA-N 1 1 346.452 2.944 40 0 EFABMO COC(=O)c1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3CO)cs2)c1 ZINC000253425715 474750846 /nfs/dbraw/zinc/75/08/46/474750846.db2.gz DRACQNOTCPBXBJ-MRXNPFEDSA-N 1 1 346.452 2.944 40 0 EFABMO c1c[nH]c(C[N@H+]2CCN(c3ccccc3)C[C@H](Cc3ccccn3)C2)n1 ZINC000253588714 474768231 /nfs/dbraw/zinc/76/82/31/474768231.db2.gz PKSVTFBFMUZNPB-GOSISDBHSA-N 1 1 347.466 2.986 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCN(c3ccccc3)C[C@H](Cc3ccccn3)C2)n1 ZINC000253588714 474768241 /nfs/dbraw/zinc/76/82/41/474768241.db2.gz PKSVTFBFMUZNPB-GOSISDBHSA-N 1 1 347.466 2.986 40 0 EFABMO Cc1cccc(C(=O)N2CC3(C2)C[C@@H](COCC2CC2)CC[N@@H+]3C)c1 ZINC000306123319 474804854 /nfs/dbraw/zinc/80/48/54/474804854.db2.gz AJXHUCJTTUOUPZ-SFHVURJKSA-N 1 1 342.483 2.958 40 0 EFABMO C[N@@H+]1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128138 474806182 /nfs/dbraw/zinc/80/61/82/474806182.db2.gz GRCVCJNKYVUACO-SFHVURJKSA-N 1 1 339.487 2.633 40 0 EFABMO C[N@H+]1CCN(CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128138 474806187 /nfs/dbraw/zinc/80/61/87/474806187.db2.gz GRCVCJNKYVUACO-SFHVURJKSA-N 1 1 339.487 2.633 40 0 EFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000306124986 474808170 /nfs/dbraw/zinc/80/81/70/474808170.db2.gz CDWJMUQTSJVFBD-HNNXBMFYSA-N 1 1 341.455 2.741 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2N1Cc1ccccn1 ZINC000306131442 474809693 /nfs/dbraw/zinc/80/96/93/474809693.db2.gz KELMZXSFABIMMJ-RBUKOAKNSA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2N1Cc1ccccn1 ZINC000306131442 474809699 /nfs/dbraw/zinc/80/96/99/474809699.db2.gz KELMZXSFABIMMJ-RBUKOAKNSA-N 1 1 348.406 2.558 40 0 EFABMO CC(C)[N@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000306135812 474810742 /nfs/dbraw/zinc/81/07/42/474810742.db2.gz PBQYRVZWIZNVHO-GIVPXCGWSA-N 1 1 342.531 2.851 40 0 EFABMO Cc1nc2c(n1C(C)C)C[N@@H+](C)CC21CCN(c2ncccn2)CC1 ZINC000306139458 474811289 /nfs/dbraw/zinc/81/12/89/474811289.db2.gz SXUHOZKUUVGFRD-UHFFFAOYSA-N 1 1 340.475 2.546 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@H+](Cc3ncc[nH]3)C2)ncn1 ZINC000257279953 474928819 /nfs/dbraw/zinc/92/88/19/474928819.db2.gz OIWRWMYHWOXJOY-CQSZACIVSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)ncn1 ZINC000257279953 474928829 /nfs/dbraw/zinc/92/88/29/474928829.db2.gz OIWRWMYHWOXJOY-CQSZACIVSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1cc(CN2CCc3nc(C4CC[NH2+]CC4)[nH]c(=O)c3C2)cs1 ZINC000257280917 474930341 /nfs/dbraw/zinc/93/03/41/474930341.db2.gz OMYHVMWHTRDWJH-UHFFFAOYSA-N 1 1 344.484 2.577 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)cn1 ZINC000257284164 474933187 /nfs/dbraw/zinc/93/31/87/474933187.db2.gz PBLRKQXOJSJSEM-GOSISDBHSA-N 1 1 336.439 2.729 40 0 EFABMO c1c[nH]c(-c2cnc(CC3CC[NH+](Cc4cscn4)CC3)cn2)n1 ZINC000257294378 474936576 /nfs/dbraw/zinc/93/65/76/474936576.db2.gz QTVQFPMZYKYELI-UHFFFAOYSA-N 1 1 340.456 2.778 40 0 EFABMO CNc1ncccc1C[N@@H+]1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257291458 474936861 /nfs/dbraw/zinc/93/68/61/474936861.db2.gz QHANIWJDCZKHHG-HNNXBMFYSA-N 1 1 325.460 2.882 40 0 EFABMO CNc1ncccc1C[N@H+]1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257291458 474936866 /nfs/dbraw/zinc/93/68/66/474936866.db2.gz QHANIWJDCZKHHG-HNNXBMFYSA-N 1 1 325.460 2.882 40 0 EFABMO Nc1ncc(F)c(CC2CC3(C2)COCC[N@H+](C2CCCCC2)C3)n1 ZINC000257291773 474936880 /nfs/dbraw/zinc/93/68/80/474936880.db2.gz QIOJENVUJBQNOV-UHFFFAOYSA-N 1 1 348.466 2.802 40 0 EFABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000257295732 474937569 /nfs/dbraw/zinc/93/75/69/474937569.db2.gz QZQBMPBENKBVGS-FQEVSTJZSA-N 1 1 337.423 2.969 40 0 EFABMO O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000257295732 474937578 /nfs/dbraw/zinc/93/75/78/474937578.db2.gz QZQBMPBENKBVGS-FQEVSTJZSA-N 1 1 337.423 2.969 40 0 EFABMO O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000257295732 474937589 /nfs/dbraw/zinc/93/75/89/474937589.db2.gz QZQBMPBENKBVGS-FQEVSTJZSA-N 1 1 337.423 2.969 40 0 EFABMO Cc1ccc(CN2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)cn1 ZINC000257295267 474937894 /nfs/dbraw/zinc/93/78/94/474937894.db2.gz QXQNBXSPRWIGPB-IBGZPJMESA-N 1 1 340.471 2.685 40 0 EFABMO Cc1cccc(N2CCC[C@H](NC(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257297390 474938149 /nfs/dbraw/zinc/93/81/49/474938149.db2.gz RHBKECDQKICEES-AWEZNQCLSA-N 1 1 340.427 2.656 40 0 EFABMO Cc1cc(N(C)C2CC3(C2)CC[N@H+](Cc2nccs2)C3)ncn1 ZINC000257298985 474940673 /nfs/dbraw/zinc/94/06/73/474940673.db2.gz ROEQZRBXQIRIHO-UHFFFAOYSA-N 1 1 329.473 2.732 40 0 EFABMO Cc1cc(N(C)C2CC3(C2)CC[N@@H+](Cc2nccs2)C3)ncn1 ZINC000257298985 474940685 /nfs/dbraw/zinc/94/06/85/474940685.db2.gz ROEQZRBXQIRIHO-UHFFFAOYSA-N 1 1 329.473 2.732 40 0 EFABMO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@@H+](Cc4ccccn4)C3)ncn2)n1 ZINC000257299100 474941586 /nfs/dbraw/zinc/94/15/86/474941586.db2.gz ROSAWMIGMQNNMH-OAHLLOKOSA-N 1 1 334.427 2.635 40 0 EFABMO Cc1noc(C)c1C(=O)N(C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257305297 474942667 /nfs/dbraw/zinc/94/26/67/474942667.db2.gz SPICYBMKUOYTGX-HNNXBMFYSA-N 1 1 328.416 2.736 40 0 EFABMO C[N@H+]1CCCC[C@@H]2[C@@H]1C[C@H](c1ccccc1)N2C(=O)Cn1cccn1 ZINC000257309391 474945451 /nfs/dbraw/zinc/94/54/51/474945451.db2.gz UATJMTPASGOXCT-QRVBRYPASA-N 1 1 338.455 2.710 40 0 EFABMO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3cccs3)CCN2C)c1 ZINC000257308431 474945761 /nfs/dbraw/zinc/94/57/61/474945761.db2.gz TWRHOWWEVHLUFO-KRWDZBQOSA-N 1 1 329.469 2.596 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257306724 474946148 /nfs/dbraw/zinc/94/61/48/474946148.db2.gz SVNOSGJMHUTWLA-HNNXBMFYSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1ccnc1C[N@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257306724 474946154 /nfs/dbraw/zinc/94/61/54/474946154.db2.gz SVNOSGJMHUTWLA-HNNXBMFYSA-N 1 1 325.412 2.857 40 0 EFABMO c1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257309796 474946948 /nfs/dbraw/zinc/94/69/48/474946948.db2.gz UCKPVARWGGIYBU-LBPRGKRZSA-N 1 1 326.429 2.703 40 0 EFABMO C[NH+](C)Cc1nccnc1C1CCN(C(=O)c2ccccc2F)CC1 ZINC000257309981 474947393 /nfs/dbraw/zinc/94/73/93/474947393.db2.gz UDECHURBHGKNFH-UHFFFAOYSA-N 1 1 342.418 2.697 40 0 EFABMO CCCn1cc(C[N@@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)cn1 ZINC000257315974 474950134 /nfs/dbraw/zinc/95/01/34/474950134.db2.gz VDOMCAHWIXBSJE-QYZOEREBSA-N 1 1 329.444 2.696 40 0 EFABMO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)c(C)n1 ZINC000257314056 474950386 /nfs/dbraw/zinc/95/03/86/474950386.db2.gz UVDGYKKSQFJIOA-QGZVFWFLSA-N 1 1 328.464 2.795 40 0 EFABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)c(C)n1 ZINC000257314056 474950387 /nfs/dbraw/zinc/95/03/87/474950387.db2.gz UVDGYKKSQFJIOA-QGZVFWFLSA-N 1 1 328.464 2.795 40 0 EFABMO NC(=O)[C@@]1(CCCc2ccccn2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000257319674 474951335 /nfs/dbraw/zinc/95/13/35/474951335.db2.gz VTOMSEIJDYLAJE-FQEVSTJZSA-N 1 1 338.455 2.567 40 0 EFABMO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@H+](Cc4cscn4)C3)n2)n1 ZINC000257321295 474952866 /nfs/dbraw/zinc/95/28/66/474952866.db2.gz WAZQGBLSDWKQBV-ZDUSSCGKSA-N 1 1 340.456 2.778 40 0 EFABMO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@@H+](Cc4cscn4)C3)n2)n1 ZINC000257321295 474952875 /nfs/dbraw/zinc/95/28/75/474952875.db2.gz WAZQGBLSDWKQBV-ZDUSSCGKSA-N 1 1 340.456 2.778 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257326502 474955586 /nfs/dbraw/zinc/95/55/86/474955586.db2.gz WXJZGMSIMJCMOL-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO NC(=O)c1cc(C[C@@H]2CCC[N@@H+](Cc3ccccc3F)CC2)ncn1 ZINC000257324133 474956278 /nfs/dbraw/zinc/95/62/78/474956278.db2.gz WNHNVONYVNMAQN-CQSZACIVSA-N 1 1 342.418 2.559 40 0 EFABMO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000257333229 474959562 /nfs/dbraw/zinc/95/95/62/474959562.db2.gz YASVVIHDRVXMNH-KRWDZBQOSA-N 1 1 330.476 2.933 40 0 EFABMO c1ccc(CO[C@H]2C[N@H+](Cc3cnccn3)CC[C@@]23CCCO3)cc1 ZINC000257330932 474960076 /nfs/dbraw/zinc/96/00/76/474960076.db2.gz XQQMDRFHKCZZGB-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO c1ccc(CO[C@H]2C[N@@H+](Cc3cnccn3)CC[C@@]23CCCO3)cc1 ZINC000257330932 474960087 /nfs/dbraw/zinc/96/00/87/474960087.db2.gz XQQMDRFHKCZZGB-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2ccccc2)[C@H]1O ZINC000257338355 474964048 /nfs/dbraw/zinc/96/40/48/474964048.db2.gz YWZYEAYBTLOSOL-QWFCFKBJSA-N 1 1 341.455 2.737 40 0 EFABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1ccnc(NC)c1 ZINC000257340205 474964201 /nfs/dbraw/zinc/96/42/01/474964201.db2.gz ZFAZRGVSYXBRMT-HNNXBMFYSA-N 1 1 327.432 2.636 40 0 EFABMO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)ccc1F ZINC000260801805 474973883 /nfs/dbraw/zinc/97/38/83/474973883.db2.gz NCKFVOZWAJNQIU-ZDUSSCGKSA-N 1 1 328.453 2.534 40 0 EFABMO COc1cc(C)c(C[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000331870264 475440163 /nfs/dbraw/zinc/44/01/63/475440163.db2.gz UPLJYWWKFOWLNY-MRXNPFEDSA-N 1 1 341.459 2.598 40 0 EFABMO C[C@H](OC1CCCCCC1)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000333336236 475908231 /nfs/dbraw/zinc/90/82/31/475908231.db2.gz XDDZPCLLXYKNRY-YJBOKZPZSA-N 1 1 331.460 2.682 40 0 EFABMO Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)NC3CCCCCCC3)C2)cn1 ZINC000363307134 476644171 /nfs/dbraw/zinc/64/41/71/476644171.db2.gz OZIVZHGOUJEXCP-INIZCTEOSA-N 1 1 332.492 2.514 40 0 EFABMO COc1cc(NC(=O)N2CCC[N@@H+](C)CC2)cc(OC)c1C(C)C ZINC000390833416 476805275 /nfs/dbraw/zinc/80/52/75/476805275.db2.gz HFSZGYZHVGPOOX-UHFFFAOYSA-N 1 1 335.448 2.997 40 0 EFABMO C[C@H]1C[C@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000390835084 476805820 /nfs/dbraw/zinc/80/58/20/476805820.db2.gz CGRYFZYUAWPFHG-GXFFZTMASA-N 1 1 343.240 2.730 40 0 EFABMO Cn1cnc2c1C[C@@H](COCc1ccccn1)[N@@H+](C1CCCC1)C2 ZINC000585094729 479280343 /nfs/dbraw/zinc/28/03/43/479280343.db2.gz JONHBBOUFCPHMB-KRWDZBQOSA-N 1 1 326.444 2.701 40 0 EFABMO Cn1cnc2c1C[C@@H](COCc1ccccn1)[N@H+](C1CCCC1)C2 ZINC000585094729 479280348 /nfs/dbraw/zinc/28/03/48/479280348.db2.gz JONHBBOUFCPHMB-KRWDZBQOSA-N 1 1 326.444 2.701 40 0 EFABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3nccs3)CC2)N1C[C@H]1CCCO1 ZINC000585099862 479282382 /nfs/dbraw/zinc/28/23/82/479282382.db2.gz MDVQNOFWLJKEDA-CRAIPNDOSA-N 1 1 349.500 2.669 40 0 EFABMO CC(C)CC[N@H+]1CCC[C@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101089 479282528 /nfs/dbraw/zinc/28/25/28/479282528.db2.gz CKGYLJBRQMQRGX-INIZCTEOSA-N 1 1 343.418 2.557 40 0 EFABMO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3C)CC2)nc2ccccn12 ZINC000585100740 479282587 /nfs/dbraw/zinc/28/25/87/479282587.db2.gz VCFKWYFVSOMCOZ-IBGZPJMESA-N 1 1 326.444 2.620 40 0 EFABMO Cc1occc1C(=O)N1CCC2(C[N@@H+](C)C[C@@H]2COCC2CC2)CC1 ZINC000585102747 479284047 /nfs/dbraw/zinc/28/40/47/479284047.db2.gz CVYMUWREUANNJV-QGZVFWFLSA-N 1 1 346.471 2.799 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000585103075 479284433 /nfs/dbraw/zinc/28/44/33/479284433.db2.gz PPNKYYLFPDZXGU-MRXNPFEDSA-N 1 1 348.487 2.637 40 0 EFABMO Cc1cccc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103398 479284486 /nfs/dbraw/zinc/28/44/86/479284486.db2.gz BTSDWYXWQPYLNJ-FQEVSTJZSA-N 1 1 330.472 2.702 40 0 EFABMO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(F)c1)C2 ZINC000585103376 479284567 /nfs/dbraw/zinc/28/45/67/479284567.db2.gz BNOBZJBICFFFTM-LJQANCHMSA-N 1 1 334.435 2.533 40 0 EFABMO c1cncc(CO[C@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)c1 ZINC000585105442 479286512 /nfs/dbraw/zinc/28/65/12/479286512.db2.gz WODBPDAFVDIRKM-QGZVFWFLSA-N 1 1 327.453 2.753 40 0 EFABMO CC1CC(C(=O)N2C[C@H]3c4ccccc4[C@H]([NH+]4CCOCC4)[C@H]3C2)C1 ZINC000585109339 479287098 /nfs/dbraw/zinc/28/70/98/479287098.db2.gz KIYJATXAQKGRDO-URPVSJSNSA-N 1 1 340.467 2.662 40 0 EFABMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(N[C@H]2CCCSCC2)c1 ZINC000585141960 479299604 /nfs/dbraw/zinc/29/96/04/479299604.db2.gz JSLKOYXKJFRMKH-RDJZCZTQSA-N 1 1 333.501 2.834 40 0 EFABMO COc1ncc(C[N@@H+]2CC[C@H](OC)[C@H](Cc3ccccc3)C2)cn1 ZINC000585269295 479303376 /nfs/dbraw/zinc/30/33/76/479303376.db2.gz OKHGCTXUUVFUOW-MSOLQXFVSA-N 1 1 327.428 2.565 40 0 EFABMO CCn1cncc1C[N@@H+]1CCC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585275830 479304624 /nfs/dbraw/zinc/30/46/24/479304624.db2.gz FWEZZLVRBQYTPW-IBGZPJMESA-N 1 1 329.444 2.617 40 0 EFABMO CCn1cncc1C[N@H+]1CCC[C@@](O)(COc2cccc(C)c2)C1 ZINC000585275830 479304628 /nfs/dbraw/zinc/30/46/28/479304628.db2.gz FWEZZLVRBQYTPW-IBGZPJMESA-N 1 1 329.444 2.617 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CCC[C@H](O)[C@@H]2Cc2ccccc2F)[nH]1 ZINC000585275753 479304887 /nfs/dbraw/zinc/30/48/87/479304887.db2.gz DXKUDWOAXFUWIK-ROUUACIJSA-N 1 1 331.435 2.988 40 0 EFABMO CO[C@@]1(COc2cccc(C)c2)CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585278609 479307006 /nfs/dbraw/zinc/30/70/06/479307006.db2.gz UOEJTEMOYHDMRO-IBGZPJMESA-N 1 1 327.428 2.763 40 0 EFABMO C[N@H+]1CCC[C@H](NC(=O)Cc2ccccn2)[C@@H]1Cc1cccc(F)c1 ZINC000585280826 479308029 /nfs/dbraw/zinc/30/80/29/479308029.db2.gz PSWGZHJKVNZXPP-OALUTQOASA-N 1 1 341.430 2.585 40 0 EFABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@H+](C3CCCCC3)CC[C@@H]2O)c1 ZINC000585288108 479309008 /nfs/dbraw/zinc/30/90/08/479309008.db2.gz WIZFCRFPEQBWFE-PMACEKPBSA-N 1 1 333.472 2.813 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(Cl)cc1 ZINC000585293375 479310907 /nfs/dbraw/zinc/31/09/07/479310907.db2.gz VXFVYZLSADRCBE-KZNAEPCWSA-N 1 1 335.806 2.800 40 0 EFABMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)[C@H](CO)[C@@H]1O ZINC000585295132 479311005 /nfs/dbraw/zinc/31/10/05/479311005.db2.gz MSODWVOBJCZURS-GUDVDZBRSA-N 1 1 331.843 2.970 40 0 EFABMO COc1ccc2c(c1)[C@@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)CCC2 ZINC000655000644 482125898 /nfs/dbraw/zinc/12/58/98/482125898.db2.gz YNUHWFCZRRGRKR-SFHVURJKSA-N 1 1 328.456 2.883 40 0 EFABMO COC(=O)c1coc(C(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000184077092 534313671 /nfs/dbraw/zinc/31/36/71/534313671.db2.gz VUVNRSWAUBYZLZ-HNNXBMFYSA-N 1 1 340.379 2.691 40 0 EFABMO CC(=O)N1CCC[C@H]1c1cncc(C[N@@H+](C)CCc2ccccc2)n1 ZINC000257200640 534776067 /nfs/dbraw/zinc/77/60/67/534776067.db2.gz AEEOLYFEDKQPHY-FQEVSTJZSA-N 1 1 338.455 2.835 40 0 EFABMO CCCc1nnsc1C(=O)N[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257246540 535551670 /nfs/dbraw/zinc/55/16/70/535551670.db2.gz IUPGMSSZYWNTFN-ZDUSSCGKSA-N 1 1 345.472 2.593 40 0 EFABMO CCCn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 ZINC000257204621 535609786 /nfs/dbraw/zinc/60/97/86/535609786.db2.gz AVOHHPYPKBBSFG-OALUTQOASA-N 1 1 329.444 2.697 40 0 EFABMO CCCn1cc(C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cn1 ZINC000257204621 535609792 /nfs/dbraw/zinc/60/97/92/535609792.db2.gz AVOHHPYPKBBSFG-OALUTQOASA-N 1 1 329.444 2.697 40 0 EFABMO COc1cc(CN2CCO[C@H](c3cc(N)cc(C)[nH+]3)C2)ccc1F ZINC000257270662 536765287 /nfs/dbraw/zinc/76/52/87/536765287.db2.gz MVDPMWBMRCJCNZ-SFHVURJKSA-N 1 1 331.391 2.693 40 0 EFABMO CCn1nncc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000585087349 546371125 /nfs/dbraw/zinc/37/11/25/546371125.db2.gz SIXQNRPVUQMNGQ-DFQSSKMNSA-N 1 1 339.487 2.688 40 0 EFABMO CN(C)C(=O)c1cnc(NC[C@@H]2CCCn3cc[nH+]c32)c(Cl)c1 ZINC000676565679 548499135 /nfs/dbraw/zinc/49/91/35/548499135.db2.gz GKNLJNKIAQYFOP-NSHDSACASA-N 1 1 333.823 2.623 40 0 EFABMO Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)[C@H]3c4cc(F)ccc4OC[C@H]32)sn1 ZINC001772595898 1249167647 /nfs/dbraw/zinc/16/76/47/1249167647.db2.gz RPITUKPZUBVGQN-WWGRRREGSA-N 1 1 347.415 2.841 40 0 EFABMO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)[C@H]3c4cc(F)ccc4OC[C@H]32)sn1 ZINC001772595898 1249167653 /nfs/dbraw/zinc/16/76/53/1249167653.db2.gz RPITUKPZUBVGQN-WWGRRREGSA-N 1 1 347.415 2.841 40 0 EFABMO C[NH+]1CCN(C2(CNC(=O)c3ccc(F)cc3)CCCCC2)CC1 ZINC000032611733 1099507167 /nfs/dbraw/zinc/50/71/67/1099507167.db2.gz FGGMHTMMIFVSHT-UHFFFAOYSA-N 1 1 333.451 2.506 40 0 EFABMO C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(F)cc2F)[C@@H]1c1ccccc1 ZINC000675011181 1099622297 /nfs/dbraw/zinc/62/22/97/1099622297.db2.gz PYKACXRMYFYHCF-ZWKOTPCHSA-N 1 1 346.377 2.653 40 0 EFABMO C[N@H+]1CCO[C@@H](C(=O)NCc2ccc(F)cc2F)[C@@H]1c1ccccc1 ZINC000675011181 1099622313 /nfs/dbraw/zinc/62/23/13/1099622313.db2.gz PYKACXRMYFYHCF-ZWKOTPCHSA-N 1 1 346.377 2.653 40 0 EFABMO C[C@@H](C(=O)NC(=O)NC1CCCC1)[N@@H+](C)CCCc1ccccc1 ZINC000052802730 214147131 /nfs/dbraw/zinc/14/71/31/214147131.db2.gz NHABFBULDXJPGP-HNNXBMFYSA-N 1 1 331.460 2.708 40 0 EFABMO Cc1nnc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCOCc3ccccc3)O2)o1 ZINC000097953622 219064984 /nfs/dbraw/zinc/06/49/84/219064984.db2.gz MHPABQOSZOJTCK-KZNAEPCWSA-N 1 1 343.427 2.889 40 0 EFABMO CN1C[C@H](COCC2CC2)[C@H]2CC[N@@H+](Cc3ccoc3)CC[C@H]2C1=O ZINC000097953627 219065005 /nfs/dbraw/zinc/06/50/05/219065005.db2.gz LFLFPUZIGYORTH-GUDVDZBRSA-N 1 1 346.471 2.623 40 0 EFABMO C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000004429622 210192394 /nfs/dbraw/zinc/19/23/94/210192394.db2.gz VMXCZTWKHLYJMM-ZIFCJYIRSA-N 1 1 330.472 2.577 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255233 282385165 /nfs/dbraw/zinc/38/51/65/282385165.db2.gz LBIMHLMTISNUQT-UHFFFAOYSA-N 1 1 335.411 2.744 40 0 EFABMO Cc1nc(C[NH+]2CCC(C(=O)N(C)Cc3ccncc3)CC2)cs1 ZINC000104026202 219339870 /nfs/dbraw/zinc/33/98/70/219339870.db2.gz LQCKCCIMGJOZDW-UHFFFAOYSA-N 1 1 344.484 2.717 40 0 EFABMO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000040614274 213357971 /nfs/dbraw/zinc/35/79/71/213357971.db2.gz AGBDJKKCVUAOQX-HNNXBMFYSA-N 1 1 338.404 2.534 40 0 EFABMO Fc1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096158310 283033477 /nfs/dbraw/zinc/03/34/77/283033477.db2.gz LODXNLGHQFWIQK-SFHVURJKSA-N 1 1 327.407 2.503 40 0 EFABMO COc1ccc(CCNC(=S)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000036847511 213122126 /nfs/dbraw/zinc/12/21/26/213122126.db2.gz FWSQFPQSUBOLNV-CVEARBPZSA-N 1 1 349.544 2.965 40 0 EFABMO O=C1CCCN1c1ccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)cc1 ZINC000036743617 213116596 /nfs/dbraw/zinc/11/65/96/213116596.db2.gz CMDKBESPMMDBNK-NRFANRHFSA-N 1 1 336.435 2.907 40 0 EFABMO COC(=O)c1cccc2nc([C@H]3CC[N@H+](C4CCOCC4)C3)oc21 ZINC000035446957 213028762 /nfs/dbraw/zinc/02/87/62/213028762.db2.gz NNXCFFFIHGGUKK-LBPRGKRZSA-N 1 1 330.384 2.583 40 0 biogenic,in-vitro EFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)CC1 ZINC000035446628 213028107 /nfs/dbraw/zinc/02/81/07/213028107.db2.gz IQONYVVHHNSXQD-ZDUSSCGKSA-N 1 1 330.407 2.502 40 0 biogenic,in-vitro EFABMO CC(=O)N1CCC([N@@H+]2CC[C@H](c3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000035446628 213028109 /nfs/dbraw/zinc/02/81/09/213028109.db2.gz IQONYVVHHNSXQD-ZDUSSCGKSA-N 1 1 330.407 2.502 40 0 biogenic,in-vitro EFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4ccc(F)cc4[nH]3)C2)CC1 ZINC000035446628 213028112 /nfs/dbraw/zinc/02/81/12/213028112.db2.gz IQONYVVHHNSXQD-ZDUSSCGKSA-N 1 1 330.407 2.502 40 0 biogenic,in-vitro EFABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)cn1 ZINC000035425454 213027395 /nfs/dbraw/zinc/02/73/95/213027395.db2.gz MMWQTMOYRXPRGT-AWEZNQCLSA-N 1 1 332.404 2.702 40 0 biogenic,in-vitro EFABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)cn1 ZINC000035425472 213027064 /nfs/dbraw/zinc/02/70/64/213027064.db2.gz WZNQNPIUFAPVBX-HNNXBMFYSA-N 1 1 344.415 2.846 40 0 biogenic,in-vitro EFABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)cn1 ZINC000035425233 213026604 /nfs/dbraw/zinc/02/66/04/213026604.db2.gz GGRNIPNPGNUQAL-AWEZNQCLSA-N 1 1 331.420 2.735 40 0 biogenic,in-vitro EFABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358871 216165530 /nfs/dbraw/zinc/16/55/30/216165530.db2.gz PSGPBFGXYXWFTD-HNNXBMFYSA-N 1 1 342.418 2.550 40 0 EFABMO Cc1cccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)n1 ZINC000072339851 216156751 /nfs/dbraw/zinc/15/67/51/216156751.db2.gz GTAQZQJCNQQARP-UHFFFAOYSA-N 1 1 333.395 2.506 40 0 EFABMO Cc1cccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)n1 ZINC000072339851 216156755 /nfs/dbraw/zinc/15/67/55/216156755.db2.gz GTAQZQJCNQQARP-UHFFFAOYSA-N 1 1 333.395 2.506 40 0 EFABMO Cc1cc(CCC(=O)Nc2cn[nH]c2)nc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072366858 216173186 /nfs/dbraw/zinc/17/31/86/216173186.db2.gz NCBDGSLFXYVIEC-MRXNPFEDSA-N 1 1 342.447 2.625 40 0 EFABMO NC(=O)[C@]1(CCCc2ccccn2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000072367238 216173650 /nfs/dbraw/zinc/17/36/50/216173650.db2.gz CLUMCUWEEMTOOK-HXUWFJFHSA-N 1 1 338.455 2.567 40 0 EFABMO CNC(=O)[C@]1(CCCc2cccnc2)CCC[N@H+]1Cc1ccccn1 ZINC000072367249 216173681 /nfs/dbraw/zinc/17/36/81/216173681.db2.gz XQCBXLRMMDYCHI-FQEVSTJZSA-N 1 1 338.455 2.580 40 0 EFABMO CNc1cc(Nc2nccc([C@H]3CCC[N@H+](C(C)C)C3)n2)ncn1 ZINC000072377458 216178526 /nfs/dbraw/zinc/17/85/26/216178526.db2.gz VGPHVEOIMHJAJB-ZDUSSCGKSA-N 1 1 327.436 2.640 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377554 216178561 /nfs/dbraw/zinc/17/85/61/216178561.db2.gz SRAKQMQWHUNAMJ-HNNXBMFYSA-N 1 1 327.432 2.749 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2ccccc2)n1 ZINC000072378437 216182023 /nfs/dbraw/zinc/18/20/23/216182023.db2.gz HZZGVPXQWJJSHA-GOSISDBHSA-N 1 1 347.422 2.877 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378624 216181844 /nfs/dbraw/zinc/18/18/44/216181844.db2.gz DGHXDWGMQROOIN-KRWDZBQOSA-N 1 1 334.427 2.957 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378624 216181846 /nfs/dbraw/zinc/18/18/46/216181846.db2.gz DGHXDWGMQROOIN-KRWDZBQOSA-N 1 1 334.427 2.957 40 0 EFABMO Cc1n[nH]cc1C(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C)n1 ZINC000072378568 216181953 /nfs/dbraw/zinc/18/19/53/216181953.db2.gz UQQOVJHWLWKWMZ-MRXNPFEDSA-N 1 1 336.399 2.585 40 0 EFABMO Cc1nc(C(=O)NCCc2ccccc2)cc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072382871 216183859 /nfs/dbraw/zinc/18/38/59/216183859.db2.gz TYCYVENPMYITSH-QGZVFWFLSA-N 1 1 338.455 2.567 40 0 EFABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000072389993 216189132 /nfs/dbraw/zinc/18/91/32/216189132.db2.gz CPMQRLNKUJFRME-HNNXBMFYSA-N 1 1 338.415 2.553 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392919 216191039 /nfs/dbraw/zinc/19/10/39/216191039.db2.gz NPXUZFUBBKBAIC-QGZVFWFLSA-N 1 1 347.422 2.607 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393077 216191055 /nfs/dbraw/zinc/19/10/55/216191055.db2.gz BEMSKFYODNEQOH-KRWDZBQOSA-N 1 1 347.422 2.607 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)co1 ZINC000072387340 216186762 /nfs/dbraw/zinc/18/67/62/216186762.db2.gz LVSUTUFQXQOETC-INIZCTEOSA-N 1 1 341.459 2.828 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)co1 ZINC000072387340 216186765 /nfs/dbraw/zinc/18/67/65/216186765.db2.gz LVSUTUFQXQOETC-INIZCTEOSA-N 1 1 341.459 2.828 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 ZINC000072395562 216192274 /nfs/dbraw/zinc/19/22/74/216192274.db2.gz VQWYMOOFHRKMKS-NQIIRXRSSA-N 1 1 334.419 2.812 40 0 EFABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c2nccnc21 ZINC000072393844 216192346 /nfs/dbraw/zinc/19/23/46/216192346.db2.gz BWXMEBICDHBSAB-CQSZACIVSA-N 1 1 325.391 2.882 40 0 EFABMO Cc1nc2cc(NC(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2o1 ZINC000193924148 240364480 /nfs/dbraw/zinc/36/44/80/240364480.db2.gz KRGGUJXSWSYIMS-BETUJISGSA-N 1 1 346.431 2.709 40 0 EFABMO Cc1nc2cc(NC(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2o1 ZINC000193924148 240364486 /nfs/dbraw/zinc/36/44/86/240364486.db2.gz KRGGUJXSWSYIMS-BETUJISGSA-N 1 1 346.431 2.709 40 0 EFABMO C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)n1cccn1 ZINC000073303167 216375242 /nfs/dbraw/zinc/37/52/42/216375242.db2.gz XGSWOUTZOZZLSF-JKSUJKDBSA-N 1 1 342.443 2.803 40 0 EFABMO Cc1cccc(CC(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC000073306567 216376472 /nfs/dbraw/zinc/37/64/72/216376472.db2.gz VXWLOHAUOVXEJS-UHFFFAOYSA-N 1 1 325.412 2.676 40 0 EFABMO CC(C)c1[nH+]ccn1CCC(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000074062100 216451431 /nfs/dbraw/zinc/45/14/31/216451431.db2.gz CZHKWIFRKRYFPH-FQEVSTJZSA-N 1 1 341.455 2.737 40 0 EFABMO OCCNCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000023468462 212378476 /nfs/dbraw/zinc/37/84/76/212378476.db2.gz UAGHQIZUQSKVEJ-UHFFFAOYSA-N 1 1 334.847 2.591 40 0 EFABMO OCCNCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000023468444 212378117 /nfs/dbraw/zinc/37/81/17/212378117.db2.gz MUPJGZJHMNCEJX-UHFFFAOYSA-N 1 1 334.847 2.591 40 0 EFABMO COc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000023235087 212361830 /nfs/dbraw/zinc/36/18/30/212361830.db2.gz UEIJMMSAZVGPDP-KBPBESRZSA-N 1 1 335.448 2.705 40 0 EFABMO Cc1c(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1N(C)C ZINC000193955464 240377048 /nfs/dbraw/zinc/37/70/48/240377048.db2.gz QHEKJLCWJIXVBO-GASCZTMLSA-N 1 1 348.491 2.634 40 0 EFABMO Cc1c(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1N(C)C ZINC000193955464 240377057 /nfs/dbraw/zinc/37/70/57/240377057.db2.gz QHEKJLCWJIXVBO-GASCZTMLSA-N 1 1 348.491 2.634 40 0 EFABMO CC(C)C[N@H+]1CCO[C@@H](CSc2n[nH]c(-c3cccs3)n2)C1 ZINC000022227500 212282162 /nfs/dbraw/zinc/28/21/62/212282162.db2.gz CAFJUYMSMZTYDL-GFCCVEGCSA-N 1 1 338.502 2.982 40 0 EFABMO CCS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000225596511 241943649 /nfs/dbraw/zinc/94/36/49/241943649.db2.gz CAZQEQMDWUSJNA-INIZCTEOSA-N 1 1 333.457 2.654 40 0 EFABMO CC[C@H](C(=O)Nc1ccc(C(N)=O)c(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000225803241 242042557 /nfs/dbraw/zinc/04/25/57/242042557.db2.gz GZDMGVMXTGQQGI-GOSISDBHSA-N 1 1 339.439 2.943 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000075862090 216660284 /nfs/dbraw/zinc/66/02/84/216660284.db2.gz SQLYOORZGMLKSP-ZDUSSCGKSA-N 1 1 329.366 2.704 40 0 EFABMO CN1Cc2ccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)cc2C1=O ZINC000226751547 242113572 /nfs/dbraw/zinc/11/35/72/242113572.db2.gz LQCSGYIDAUROJJ-RTBURBONSA-N 1 1 349.434 2.556 40 0 EFABMO CN1Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)cc2C1=O ZINC000226751554 242113658 /nfs/dbraw/zinc/11/36/58/242113658.db2.gz LQCSGYIDAUROJJ-MOPGFXCFSA-N 1 1 349.434 2.556 40 0 EFABMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)Nc2nnc(C3CC3)s2)C1 ZINC000230104064 242231857 /nfs/dbraw/zinc/23/18/57/242231857.db2.gz XRIYYAKHQNIHSG-UONOGXRCSA-N 1 1 328.441 2.699 40 0 EFABMO C[C@H]1C[C@@H](NC(=O)NCCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000241795536 243004335 /nfs/dbraw/zinc/00/43/35/243004335.db2.gz RZZPUBTTXNAANK-WMZOPIPTSA-N 1 1 345.487 2.644 40 0 EFABMO C[C@H](C[N@H+](C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000245289834 243103168 /nfs/dbraw/zinc/10/31/68/243103168.db2.gz FKWLKNVXGATOIZ-RISCZKNCSA-N 1 1 346.290 2.672 40 0 EFABMO C[C@H](C[N@@H+](C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000245289834 243103171 /nfs/dbraw/zinc/10/31/71/243103171.db2.gz FKWLKNVXGATOIZ-RISCZKNCSA-N 1 1 346.290 2.672 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245343965 243104600 /nfs/dbraw/zinc/10/46/00/243104600.db2.gz WQHOGAYPOLSXLI-WQVCFCJDSA-N 1 1 340.826 2.767 40 0 EFABMO c1cc2n(n1)C[C@@H](OCc1ccncc1)C[N@H+](CC1CCCC1)C2 ZINC000253588543 244025691 /nfs/dbraw/zinc/02/56/91/244025691.db2.gz HFJISJMGGRHTOT-IBGZPJMESA-N 1 1 326.444 2.869 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000253603153 244034507 /nfs/dbraw/zinc/03/45/07/244034507.db2.gz BNZWGNPSEMERGT-DKSSEZFCSA-N 1 1 332.444 2.565 40 0 EFABMO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@@H+]1CC1(O)CCCCC1 ZINC000257200195 244117179 /nfs/dbraw/zinc/11/71/79/244117179.db2.gz ACJDJPDUIXWJEW-GOSISDBHSA-N 1 1 346.471 2.596 40 0 EFABMO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@H+]1CC1(O)CCCCC1 ZINC000257200195 244117185 /nfs/dbraw/zinc/11/71/85/244117185.db2.gz ACJDJPDUIXWJEW-GOSISDBHSA-N 1 1 346.471 2.596 40 0 EFABMO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3sccc3C)CCN2C)c1 ZINC000257200475 244118849 /nfs/dbraw/zinc/11/88/49/244118849.db2.gz ADMYPVTVWSARLK-KRWDZBQOSA-N 1 1 343.496 2.905 40 0 EFABMO Cn1ccnc1C(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@H+]2C ZINC000257201847 244120359 /nfs/dbraw/zinc/12/03/59/244120359.db2.gz AJGQVJFVUYDSQA-OKZBNKHCSA-N 1 1 338.455 2.860 40 0 EFABMO CC(C)n1ccnc1C[NH+]1CCC(c2cc(=O)n3nccc3[nH]2)CC1 ZINC000257201823 244120521 /nfs/dbraw/zinc/12/05/21/244120521.db2.gz AJDSJSFWHFOAOF-UHFFFAOYSA-N 1 1 340.431 2.592 40 0 EFABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2ccnn2C(C)C)n1 ZINC000257203028 244124148 /nfs/dbraw/zinc/12/41/48/244124148.db2.gz AOIOKFSLJOKPMB-IBGZPJMESA-N 1 1 341.459 2.832 40 0 EFABMO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)n1 ZINC000257203028 244124151 /nfs/dbraw/zinc/12/41/51/244124151.db2.gz AOIOKFSLJOKPMB-IBGZPJMESA-N 1 1 341.459 2.832 40 0 EFABMO c1ccc(C[NH+]2CCN(Cc3ccnc([C@H]4CCCO4)n3)CC2)cc1 ZINC000257210423 244149203 /nfs/dbraw/zinc/14/92/03/244149203.db2.gz BUNMKJZTOCOGOM-LJQANCHMSA-N 1 1 338.455 2.646 40 0 EFABMO Cc1cc(N)cc([C@H]2CN(CCCOc3ccccc3F)CCO2)[nH+]1 ZINC000257214091 244159299 /nfs/dbraw/zinc/15/92/99/244159299.db2.gz CKMKXWSVNZAQFN-LJQANCHMSA-N 1 1 345.418 2.954 40 0 EFABMO Cc1cc(N)cc([C@@H]2CN(CCCOc3ccccc3F)CCO2)[nH+]1 ZINC000257214090 244161241 /nfs/dbraw/zinc/16/12/41/244161241.db2.gz CKMKXWSVNZAQFN-IBGZPJMESA-N 1 1 345.418 2.954 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257217137 244169325 /nfs/dbraw/zinc/16/93/25/244169325.db2.gz CXQMQIMTJXTQIY-IRXDYDNUSA-N 1 1 336.432 2.995 40 0 EFABMO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257223615 244192648 /nfs/dbraw/zinc/19/26/48/244192648.db2.gz DYCSGQMRBYVQRV-QGZVFWFLSA-N 1 1 330.457 2.820 40 0 EFABMO C[C@]12CC[N@H+](C3CCOCC3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257230424 244210460 /nfs/dbraw/zinc/21/04/60/244210460.db2.gz GCGITEAMBBPCHC-ICSRJNTNSA-N 1 1 346.446 2.960 40 0 EFABMO CCN1CCC([N@H+]2CCC[C@H](c3ccc4cnn(C)c4n3)C2)CC1 ZINC000257246632 244258536 /nfs/dbraw/zinc/25/85/36/244258536.db2.gz IVALTTRWCDBQDZ-INIZCTEOSA-N 1 1 327.476 2.632 40 0 EFABMO Cc1cccc(N2CCC[C@@H](NC(=O)Cn3cnc4ccccc43)C2)[nH+]1 ZINC000257234236 244222148 /nfs/dbraw/zinc/22/21/48/244222148.db2.gz GSRZJGBZUHCWGJ-MRXNPFEDSA-N 1 1 349.438 2.525 40 0 EFABMO C[N@H+]1CCCN(C(=O)c2ccnc(Cc3ccccc3F)c2)CC1 ZINC000257234519 244223943 /nfs/dbraw/zinc/22/39/43/244223943.db2.gz GTWXMKLCTPFSOE-UHFFFAOYSA-N 1 1 327.403 2.589 40 0 EFABMO Nc1cc(CC[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCO2)ccn1 ZINC000257234064 244224214 /nfs/dbraw/zinc/22/42/14/244224214.db2.gz GRXOKROWBINHHB-KRWDZBQOSA-N 1 1 336.439 2.979 40 0 EFABMO Nc1cc(CC[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)ccn1 ZINC000257234064 244224217 /nfs/dbraw/zinc/22/42/17/244224217.db2.gz GRXOKROWBINHHB-KRWDZBQOSA-N 1 1 336.439 2.979 40 0 EFABMO Cn1cncc1-c1cncc([C@@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257236390 244230701 /nfs/dbraw/zinc/23/07/01/244230701.db2.gz HBYUHUJKPBQGMS-CYBMUJFWSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1cncc1-c1cncc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257236390 244230710 /nfs/dbraw/zinc/23/07/10/244230710.db2.gz HBYUHUJKPBQGMS-CYBMUJFWSA-N 1 1 340.456 2.713 40 0 EFABMO CO[C@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@@]12CCCO2 ZINC000257242001 244243720 /nfs/dbraw/zinc/24/37/20/244243720.db2.gz IAPJBPLBAPGYLM-HKUYNNGSSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@@]12CCCO2 ZINC000257242001 244243726 /nfs/dbraw/zinc/24/37/26/244243726.db2.gz IAPJBPLBAPGYLM-HKUYNNGSSA-N 1 1 332.444 2.512 40 0 EFABMO CC(=O)NCc1cncc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000257251144 244268622 /nfs/dbraw/zinc/26/86/22/244268622.db2.gz JPOOLRJCKNBZJN-HXUWFJFHSA-N 1 1 338.455 2.882 40 0 EFABMO CC(=O)Nc1nc(C)c(-c2nccnc2[C@@H]2CCC[N@H+](C)C2)s1 ZINC000257258244 244287865 /nfs/dbraw/zinc/28/78/65/244287865.db2.gz KSYKTLLOEAKMAI-GFCCVEGCSA-N 1 1 331.445 2.676 40 0 EFABMO CNc1ccc(C[C@H]2CCC[N@@H+](Cc3cnc(C(C)C)nc3)C2)nn1 ZINC000257258411 244291206 /nfs/dbraw/zinc/29/12/06/244291206.db2.gz KTTDGKQHVSKRNI-OAHLLOKOSA-N 1 1 340.475 2.886 40 0 EFABMO Cn1cnc(CN2CC[N@@H+](C)C[C@H](Cc3cccc4cccnc43)C2)c1 ZINC000257270387 244376493 /nfs/dbraw/zinc/37/64/93/244376493.db2.gz MUAOLEFBTZBCGG-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1cc(N(C)C)cc([C@@H]2CN(Cc3ccnn3C(C)C)CCO2)[nH+]1 ZINC000257262048 244350674 /nfs/dbraw/zinc/35/06/74/244350674.db2.gz LJVMJKHBLQHOLZ-IBGZPJMESA-N 1 1 343.475 2.807 40 0 EFABMO CCc1nnsc1C(=O)N(C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257275347 244391350 /nfs/dbraw/zinc/39/13/50/244391350.db2.gz NOYVGTDBAHRZOL-CYBMUJFWSA-N 1 1 345.472 2.545 40 0 EFABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@]12CCCO2 ZINC000257275735 244391949 /nfs/dbraw/zinc/39/19/49/244391949.db2.gz NQRBUZXCYQQVTN-RDJZCZTQSA-N 1 1 338.835 2.548 40 0 EFABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@]12CCCO2 ZINC000257275735 244391952 /nfs/dbraw/zinc/39/19/52/244391952.db2.gz NQRBUZXCYQQVTN-RDJZCZTQSA-N 1 1 338.835 2.548 40 0 EFABMO Cc1ncsc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257276662 244395275 /nfs/dbraw/zinc/39/52/75/244395275.db2.gz NUQUKYWIRWVQFW-CYBMUJFWSA-N 1 1 329.429 2.927 40 0 EFABMO Cc1ncsc1C[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257276662 244395278 /nfs/dbraw/zinc/39/52/78/244395278.db2.gz NUQUKYWIRWVQFW-CYBMUJFWSA-N 1 1 329.429 2.927 40 0 EFABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1C[N@H+](C1CCCC1)CC2 ZINC000019711531 212057339 /nfs/dbraw/zinc/05/73/39/212057339.db2.gz QFGLVISQHUTJHJ-KRWDZBQOSA-N 1 1 343.475 2.502 40 0 EFABMO COc1ccc2cc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3CCO)ccc2c1 ZINC000019563980 212043789 /nfs/dbraw/zinc/04/37/89/212043789.db2.gz LHLWQONUZQETQM-PMACEKPBSA-N 1 1 340.467 2.879 40 0 EFABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575940 212045532 /nfs/dbraw/zinc/04/55/32/212045532.db2.gz ZKMWMTWZZGIFCD-CGTJXYLNSA-N 1 1 349.478 2.971 40 0 EFABMO COc1cc2c(cc1C[N@H+]1CC[C@@](O)(c3ccccc3)C1)OCCO2 ZINC000019550534 212041629 /nfs/dbraw/zinc/04/16/29/212041629.db2.gz MUQZUFMQENGHER-FQEVSTJZSA-N 1 1 341.407 2.560 40 0 EFABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)no1 ZINC000019503718 212035447 /nfs/dbraw/zinc/03/54/47/212035447.db2.gz WEHMBFFMQWCTEA-CQSZACIVSA-N 1 1 328.416 2.589 40 0 EFABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)no1 ZINC000019503720 212034512 /nfs/dbraw/zinc/03/45/12/212034512.db2.gz WEHMBFFMQWCTEA-AWEZNQCLSA-N 1 1 328.416 2.589 40 0 EFABMO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC000019338738 212018482 /nfs/dbraw/zinc/01/84/82/212018482.db2.gz MPBUPSDPIBQIFQ-HTZLVSCSSA-N 1 1 348.450 2.989 40 0 EFABMO Cc1cccc(NC2CCN(S(=O)(=O)c3cccs3)CC2)[nH+]1 ZINC000078050236 217014938 /nfs/dbraw/zinc/01/49/38/217014938.db2.gz RRQTWXKCCBXSFI-UHFFFAOYSA-N 1 1 337.470 2.717 40 0 EFABMO C[N@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)CC(C)(C)C)C3)C1 ZINC000019082709 212000328 /nfs/dbraw/zinc/00/03/28/212000328.db2.gz FTYXQYDGLFPITN-AWEZNQCLSA-N 1 1 330.476 2.607 40 0 EFABMO Cc1ccccc1C[N@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019237264 212007732 /nfs/dbraw/zinc/00/77/32/212007732.db2.gz XCRYBGDJGAKDHL-UHFFFAOYSA-N 1 1 325.437 2.825 40 0 EFABMO Cc1ccccc1C[N@@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019237264 212007735 /nfs/dbraw/zinc/00/77/35/212007735.db2.gz XCRYBGDJGAKDHL-UHFFFAOYSA-N 1 1 325.437 2.825 40 0 EFABMO COC(=O)c1ccc(/C=C2/SC(=O)N(C[NH+]3CCCC3)C2=O)cc1 ZINC000019205542 212004334 /nfs/dbraw/zinc/00/43/34/212004334.db2.gz FBTZSVIWOOCTDV-GXDHUFHOSA-N 1 1 346.408 2.563 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000078394347 217046389 /nfs/dbraw/zinc/04/63/89/217046389.db2.gz RHQMOYNTFLDQEV-LBPRGKRZSA-N 1 1 329.897 2.606 40 0 EFABMO CSCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000079311097 217207496 /nfs/dbraw/zinc/20/74/96/217207496.db2.gz GEJGNQVQKFTPHQ-ZDUSSCGKSA-N 1 1 332.391 2.759 40 0 EFABMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](C)c3c(C)nn(C)c3C)sc2C1 ZINC000079320630 217208456 /nfs/dbraw/zinc/20/84/56/217208456.db2.gz QZFOBEPYDVCYEF-JTQLQIEISA-N 1 1 347.488 2.614 40 0 EFABMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](C)c3c(C)nn(C)c3C)sc2C1 ZINC000079320630 217208457 /nfs/dbraw/zinc/20/84/57/217208457.db2.gz QZFOBEPYDVCYEF-JTQLQIEISA-N 1 1 347.488 2.614 40 0 EFABMO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n2ncnc2n1 ZINC000110627409 220049930 /nfs/dbraw/zinc/04/99/30/220049930.db2.gz QJLQQKPCMNBFNY-XJKSGUPXSA-N 1 1 342.472 2.989 40 0 EFABMO CC(C)[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391719 217219507 /nfs/dbraw/zinc/21/95/07/217219507.db2.gz HCVVPJASAYKXQG-SFHVURJKSA-N 1 1 334.460 2.880 40 0 EFABMO O=C(OCc1ccccc1)N(C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000079411287 217221621 /nfs/dbraw/zinc/22/16/21/217221621.db2.gz DPUUHHOOVQEUHA-GOSISDBHSA-N 1 1 332.444 2.634 40 0 EFABMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000110715268 220061099 /nfs/dbraw/zinc/06/10/99/220061099.db2.gz SGEJTEPXQJUNIM-TXPKVOOTSA-N 1 1 338.455 2.962 40 0 EFABMO Cc1ccc(CCCC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000079545909 217239409 /nfs/dbraw/zinc/23/94/09/217239409.db2.gz COXMAWNJRZSUBJ-QGZVFWFLSA-N 1 1 349.544 2.618 40 0 EFABMO Cc1ccc(C(=O)NCC2CC[NH+](Cc3csc(C)n3)CC2)n1C ZINC000111042534 220094371 /nfs/dbraw/zinc/09/43/71/220094371.db2.gz WNWSNTRVILOMHF-UHFFFAOYSA-N 1 1 346.500 2.740 40 0 EFABMO CC[N@@H+](CCNC(=O)c1cccc(-c2noc(C3CC3)n2)c1)C1CC1 ZINC000079995997 217270313 /nfs/dbraw/zinc/27/03/13/217270313.db2.gz ZBIQZEYWEDSIAM-UHFFFAOYSA-N 1 1 340.427 2.828 40 0 EFABMO C[C@H]1C[C@H](Nc2cnn(C)c(=O)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000080230948 217290354 /nfs/dbraw/zinc/29/03/54/217290354.db2.gz QOSYQRQEPYPZQG-DZGCQCFKSA-N 1 1 346.862 2.899 40 0 EFABMO Cc1nc(C[NH+]2CCC(CNC(=O)Nc3nccs3)CC2)oc1C ZINC000264769463 246890366 /nfs/dbraw/zinc/89/03/66/246890366.db2.gz VUYWIIGUYYGECI-UHFFFAOYSA-N 1 1 349.460 2.782 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1Cc1c(C)noc1C ZINC000012191763 211316007 /nfs/dbraw/zinc/31/60/07/211316007.db2.gz VUYJQZQKBOXBLB-MRXNPFEDSA-N 1 1 330.428 2.705 40 0 EFABMO COc1ccc(C[N@@H+](C[C@@H]2CCOC2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187172 211314349 /nfs/dbraw/zinc/31/43/49/211314349.db2.gz ODTFRTHVZFTDRK-YJBOKZPZSA-N 1 1 335.444 2.721 40 0 EFABMO Cc1nc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2[nH]1 ZINC000012147442 211307840 /nfs/dbraw/zinc/30/78/40/211307840.db2.gz YIAYELAYSDQMCB-OKILXGFUSA-N 1 1 328.460 2.969 40 0 EFABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1ccc(F)cc1 ZINC000012114366 211292305 /nfs/dbraw/zinc/29/23/05/211292305.db2.gz DYSAZEUGIAXTFK-MCPYQZEQSA-N 1 1 344.386 2.872 40 0 EFABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1ccc(F)cc1 ZINC000012114366 211292309 /nfs/dbraw/zinc/29/23/09/211292309.db2.gz DYSAZEUGIAXTFK-MCPYQZEQSA-N 1 1 344.386 2.872 40 0 EFABMO Cn1nncc1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000091859301 218078198 /nfs/dbraw/zinc/07/81/98/218078198.db2.gz OFACSWVFSMAADD-UHFFFAOYSA-N 1 1 331.807 2.989 40 0 EFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)CO[C@@H]1CCC[C@H]1C)CC2 ZINC000010434947 211172049 /nfs/dbraw/zinc/17/20/49/211172049.db2.gz HZKWJLGDBRNGQP-ZTFGCOKTSA-N 1 1 349.471 2.628 40 0 EFABMO CCN1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132908 218195925 /nfs/dbraw/zinc/19/59/25/218195925.db2.gz XQKXLOPZIRQYAJ-LJQANCHMSA-N 1 1 343.515 2.612 40 0 EFABMO CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000093132908 218195926 /nfs/dbraw/zinc/19/59/26/218195926.db2.gz XQKXLOPZIRQYAJ-LJQANCHMSA-N 1 1 343.515 2.612 40 0 EFABMO COC(=O)CCn1nc(C)c(C[N@@H+]2CCc3ccc(F)cc3C2)c1C ZINC000093383762 218219477 /nfs/dbraw/zinc/21/94/77/218219477.db2.gz KPJHFXSAVRIFKS-UHFFFAOYSA-N 1 1 345.418 2.760 40 0 EFABMO COC(=O)CCn1nc(C)c(C[N@H+]2CCc3ccc(F)cc3C2)c1C ZINC000093383762 218219479 /nfs/dbraw/zinc/21/94/79/218219479.db2.gz KPJHFXSAVRIFKS-UHFFFAOYSA-N 1 1 345.418 2.760 40 0 EFABMO CSC[C@H]1CCC[N@H+]1Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000093761661 218246969 /nfs/dbraw/zinc/24/69/69/218246969.db2.gz XJSNCNUTARILKG-GOSISDBHSA-N 1 1 347.528 2.683 40 0 EFABMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1cnn(C)c1 ZINC000095422181 218363952 /nfs/dbraw/zinc/36/39/52/218363952.db2.gz MPFZNWDAEVGQCS-AWEZNQCLSA-N 1 1 349.500 2.842 40 0 EFABMO O=C(CSc1ccncc1)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437778 218380851 /nfs/dbraw/zinc/38/08/51/218380851.db2.gz UTPHZSUEFSVTKM-UHFFFAOYSA-N 1 1 348.859 2.571 40 0 EFABMO COc1ccsc1C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095437739 218381151 /nfs/dbraw/zinc/38/11/51/218381151.db2.gz AKZFYJNADVHZEM-UHFFFAOYSA-N 1 1 337.832 2.768 40 0 EFABMO Cc1nc(C)c(CNc2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000095428972 218372140 /nfs/dbraw/zinc/37/21/40/218372140.db2.gz HIOOYKBSURIPHV-INIZCTEOSA-N 1 1 344.484 2.822 40 0 EFABMO c1csc(C[NH+]2CCC3(C[C@@H](Nc4nccs4)CO3)CC2)n1 ZINC000096074235 218572396 /nfs/dbraw/zinc/57/23/96/218572396.db2.gz VKVQVIOQDRBONQ-GFCCVEGCSA-N 1 1 336.486 2.835 40 0 EFABMO Cc1ccc2c([nH+]1)N(CC(C)C)CCN(C(=O)Cc1ccccn1)C2 ZINC000096199011 218670034 /nfs/dbraw/zinc/67/00/34/218670034.db2.gz RCORZRMKDOAAJI-UHFFFAOYSA-N 1 1 338.455 2.832 40 0 EFABMO CO[C@H]1CCN(C(=O)c2ccsc2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096217911 218692879 /nfs/dbraw/zinc/69/28/79/218692879.db2.gz JVFLOTWOXFFLDZ-BBWFWOEESA-N 1 1 346.452 2.703 40 0 EFABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1cc3ccccc3s1)C2 ZINC000096219833 218695963 /nfs/dbraw/zinc/69/59/63/218695963.db2.gz NOFCCXCZAZOCSF-DNVCBOLYSA-N 1 1 344.480 2.942 40 0 EFABMO COCCCNC(=S)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004886034 210311983 /nfs/dbraw/zinc/31/19/83/210311983.db2.gz ALTXFSRSHBYPCL-AYHJJNSGSA-N 1 1 347.528 2.683 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cc1c[nH]c2ncccc12 ZINC000097378893 219019891 /nfs/dbraw/zinc/01/98/91/219019891.db2.gz PQIPRVZOMOXOTK-BEFAXECRSA-N 1 1 348.450 2.742 40 0 EFABMO COc1ccc(OC)c2c1C[N@H+](CCc1csc(C)n1)C[C@@H]2O ZINC000119152193 221254590 /nfs/dbraw/zinc/25/45/90/221254590.db2.gz FUGCYYIYQJELCR-AWEZNQCLSA-N 1 1 334.441 2.560 40 0 EFABMO COc1ccc(OC)c2c1C[N@@H+](CCc1csc(C)n1)C[C@@H]2O ZINC000119152193 221254592 /nfs/dbraw/zinc/25/45/92/221254592.db2.gz FUGCYYIYQJELCR-AWEZNQCLSA-N 1 1 334.441 2.560 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1Cc1cccnc1 ZINC000306134086 257921765 /nfs/dbraw/zinc/92/17/65/257921765.db2.gz NDDHCSFNNVCSEV-RTBURBONSA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccco3)C[C@H]2N1Cc1cccnc1 ZINC000306134086 257921767 /nfs/dbraw/zinc/92/17/67/257921767.db2.gz NDDHCSFNNVCSEV-RTBURBONSA-N 1 1 348.406 2.558 40 0 EFABMO CC1=C(Br)CN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000330031858 258003125 /nfs/dbraw/zinc/00/31/25/258003125.db2.gz FCJBEWFRSAMYCY-UHFFFAOYSA-N 1 1 344.341 2.777 40 0 EFABMO O[C@H](Cn1cccn1)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000247754293 285359785 /nfs/dbraw/zinc/35/97/85/285359785.db2.gz CNCVKLULJJGXTR-HOTGVXAUSA-N 1 1 337.876 2.688 40 0 EFABMO O[C@H](Cn1cccn1)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000247754293 285359787 /nfs/dbraw/zinc/35/97/87/285359787.db2.gz CNCVKLULJJGXTR-HOTGVXAUSA-N 1 1 337.876 2.688 40 0 EFABMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000078048054 287144491 /nfs/dbraw/zinc/14/44/91/287144491.db2.gz LHNWGZXZTFNMOT-AWEZNQCLSA-N 1 1 347.484 2.593 40 0 EFABMO COc1cc2cccnc2c(NC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c1 ZINC000004522433 274103175 /nfs/dbraw/zinc/10/31/75/274103175.db2.gz YCWCNAAVGPTVAY-GDBMZVCRSA-N 1 1 329.444 2.891 40 0 EFABMO O=C1C[C@@]2(CC[N@H+](C3CCOCC3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239072 275019988 /nfs/dbraw/zinc/01/99/88/275019988.db2.gz FTPQSFZGTLZNIJ-GOSISDBHSA-N 1 1 336.382 2.573 40 0 EFABMO O[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000096495462 275058667 /nfs/dbraw/zinc/05/86/67/275058667.db2.gz KWWOLGAVLRECMF-LBPRGKRZSA-N 1 1 342.233 2.567 40 0 EFABMO O[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000096495462 275058668 /nfs/dbraw/zinc/05/86/68/275058668.db2.gz KWWOLGAVLRECMF-LBPRGKRZSA-N 1 1 342.233 2.567 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000076472125 276383872 /nfs/dbraw/zinc/38/38/72/276383872.db2.gz WEMFGYJMXZCRSH-QUCCMNQESA-N 1 1 343.515 2.666 40 0 EFABMO C[N@H+]1CCC[C@@]2(CN(C(=O)c3ccccc3C(F)(F)F)CCO2)C1 ZINC000063527669 277085310 /nfs/dbraw/zinc/08/53/10/277085310.db2.gz SUESVJBFXPQTLJ-INIZCTEOSA-N 1 1 342.361 2.642 40 0 EFABMO CNc1nccnc1C[C@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000257268783 277306020 /nfs/dbraw/zinc/30/60/20/277306020.db2.gz MNELCWVHKBWYQR-OAHLLOKOSA-N 1 1 328.464 2.750 40 0 EFABMO CNc1nccnc1C[C@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000257268783 277306021 /nfs/dbraw/zinc/30/60/21/277306021.db2.gz MNELCWVHKBWYQR-OAHLLOKOSA-N 1 1 328.464 2.750 40 0 EFABMO COc1cc2cc[nH+]c3c2c(c1OC)C[C@H]1C[C@@H](O)[C@@H](OC)C[C@H]31 ZINC000005883211 277856979 /nfs/dbraw/zinc/85/69/79/277856979.db2.gz AEGFKXRLKDOCNT-VIRABCJISA-N 1 1 329.396 2.678 40 0 EFABMO Cc1ccccc1C[N@H+]1CC[C@@H]2OCCN(Cc3cccnc3)[C@H]2C1 ZINC000108535274 281343076 /nfs/dbraw/zinc/34/30/76/281343076.db2.gz WXVHDLVGGNZRIS-SFTDATJTSA-N 1 1 337.467 2.865 40 0 EFABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC000072374043 290258089 /nfs/dbraw/zinc/25/80/89/290258089.db2.gz FIILQRLIDSYAFL-MRXNPFEDSA-N 1 1 345.491 2.748 40 0 EFABMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(Cc3cccnc3)CC1)C2 ZINC000329557070 311282928 /nfs/dbraw/zinc/28/29/28/311282928.db2.gz HPKMZLNHRCJAMG-GOSISDBHSA-N 1 1 338.455 2.630 40 0 EFABMO Cc1c[nH+]ccc1OC1CCN(C(=O)CCC2CCOCC2)CC1 ZINC000329975036 311299975 /nfs/dbraw/zinc/29/99/75/311299975.db2.gz ZLMVHSIETCATIF-UHFFFAOYSA-N 1 1 332.444 2.967 40 0 EFABMO CCN(CC)c1ncc(C[NH+]2CCC(O)(C(F)(F)F)CC2)s1 ZINC000097095408 323213250 /nfs/dbraw/zinc/21/32/50/323213250.db2.gz OTAKVHUJPFNYFQ-UHFFFAOYSA-N 1 1 337.411 2.879 40 0 EFABMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234348 323213726 /nfs/dbraw/zinc/21/37/26/323213726.db2.gz BQKIJFBCRAWMNP-DOTOQJQBSA-N 1 1 331.464 2.663 40 0 EFABMO CCN(C(=O)NCc1cc(C)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184609708 323370173 /nfs/dbraw/zinc/37/01/73/323370173.db2.gz DWGHPHDHCYCWFD-QGZVFWFLSA-N 1 1 342.443 2.789 40 0 EFABMO COc1cccc([C@@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)c1 ZINC000095533613 473222505 /nfs/dbraw/zinc/22/25/05/473222505.db2.gz FVXYBLUJVFMONR-GFCCVEGCSA-N 1 1 349.188 2.884 40 0 EFABMO COc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000095533783 473222568 /nfs/dbraw/zinc/22/25/68/473222568.db2.gz GULLJVQGPCBNMJ-OAHLLOKOSA-N 1 1 328.347 2.676 40 0 EFABMO CCOc1cc([C@@H]([NH3+])c2nc(-c3cccs3)n[nH]2)ccc1OC ZINC000095534443 473223149 /nfs/dbraw/zinc/22/31/49/473223149.db2.gz FMUYRYGNBJAWOM-CQSZACIVSA-N 1 1 330.413 2.989 40 0 EFABMO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccoc3C)n[nH]2)ccc1OC ZINC000095534391 473223684 /nfs/dbraw/zinc/22/36/84/473223684.db2.gz JCBLNZDPFCHFNT-OAHLLOKOSA-N 1 1 328.372 2.829 40 0 EFABMO COc1cccc(NCCc2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)c1 ZINC000095534123 473223704 /nfs/dbraw/zinc/22/37/04/473223704.db2.gz BNNLSMBMWWZDEB-GOSISDBHSA-N 1 1 337.427 2.824 40 0 EFABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccco3)n[nH]2)cc1OCC ZINC000095534502 473224162 /nfs/dbraw/zinc/22/41/62/473224162.db2.gz KXPPNFILYNWTRS-HNNXBMFYSA-N 1 1 328.372 2.910 40 0 EFABMO CN1CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2ccccc21 ZINC000081670831 473241718 /nfs/dbraw/zinc/24/17/18/473241718.db2.gz CBOQGWAXYLBAKB-UHFFFAOYSA-N 1 1 342.418 2.689 40 0 EFABMO O=C(Cc1cccs1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC000096038568 473258120 /nfs/dbraw/zinc/25/81/20/473258120.db2.gz RGBWDKHDGVTFEF-IRXDYDNUSA-N 1 1 327.453 2.561 40 0 EFABMO c1cncc(OC[C@@]23CCCO[C@@H]2CC[N@@H+](CC2CCOCC2)C3)c1 ZINC000096040058 473259564 /nfs/dbraw/zinc/25/95/64/473259564.db2.gz YXNOUDZYINEKGT-UXHICEINSA-N 1 1 346.471 2.758 40 0 EFABMO c1csc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041637 473262391 /nfs/dbraw/zinc/26/23/91/473262391.db2.gz ZYHVXIXFCKGMNF-RCCFBDPRSA-N 1 1 337.485 2.923 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)c1 ZINC000096041637 473262393 /nfs/dbraw/zinc/26/23/93/473262393.db2.gz ZYHVXIXFCKGMNF-RCCFBDPRSA-N 1 1 337.485 2.923 40 0 EFABMO O=C([C@H]1CO[C@H]2CC[N@H+](Cc3ccccc3F)C[C@H]2C1)N1CCCC1 ZINC000096042648 473265611 /nfs/dbraw/zinc/26/56/11/473265611.db2.gz TYGFDTKWXRQYJZ-LMMKCTJWSA-N 1 1 346.446 2.675 40 0 EFABMO c1csc(CN2CCC3(CC[N@H+](CC4CCOCC4)C3)CC2)n1 ZINC000096046623 473266694 /nfs/dbraw/zinc/26/66/94/473266694.db2.gz VJJPHSQDIYPYNB-UHFFFAOYSA-N 1 1 335.517 2.858 40 0 EFABMO CC[C@H]1[N@@H+](Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2CCOC ZINC000096045695 473267950 /nfs/dbraw/zinc/26/79/50/473267950.db2.gz YLJARHDOFMXADX-MJGOQNOKSA-N 1 1 334.460 2.970 40 0 EFABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048019 473268098 /nfs/dbraw/zinc/26/80/98/473268098.db2.gz PAXWXNVFJQXJLX-SFHVURJKSA-N 1 1 341.455 2.930 40 0 EFABMO CN(Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048068 473268183 /nfs/dbraw/zinc/26/81/83/473268183.db2.gz OJFPGAYCGYMRCY-GOSISDBHSA-N 1 1 341.455 2.930 40 0 EFABMO COCCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096047524 473268277 /nfs/dbraw/zinc/26/82/77/473268277.db2.gz LDQJDBITOCWNHG-LJQANCHMSA-N 1 1 334.435 2.819 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cn1 ZINC000096047012 473268531 /nfs/dbraw/zinc/26/85/31/473268531.db2.gz FNGWZFIWXMICTM-SFHVURJKSA-N 1 1 344.484 2.610 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC000096048022 473269185 /nfs/dbraw/zinc/26/91/85/473269185.db2.gz RJAOKRDHQMQYCT-MRXNPFEDSA-N 1 1 344.411 2.768 40 0 EFABMO O=C(Cc1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1 ZINC000096047114 473269549 /nfs/dbraw/zinc/26/95/49/473269549.db2.gz BQTBPFDKSGTAJX-FQEVSTJZSA-N 1 1 339.439 2.732 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096048347 473271237 /nfs/dbraw/zinc/27/12/37/473271237.db2.gz IVEJELFOAQESEA-MAUKXSAKSA-N 1 1 328.416 2.614 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 ZINC000096048258 473271292 /nfs/dbraw/zinc/27/12/92/473271292.db2.gz MJCZYAHKRRAABW-OALUTQOASA-N 1 1 325.412 2.679 40 0 EFABMO CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC000096048596 473271524 /nfs/dbraw/zinc/27/15/24/473271524.db2.gz MTCGWDNPIHAOMY-SJLPKXTDSA-N 1 1 344.484 2.798 40 0 EFABMO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)nn1 ZINC000096048440 473271542 /nfs/dbraw/zinc/27/15/42/473271542.db2.gz NQBVHPHEFQBGNR-AEFFLSMTSA-N 1 1 328.416 2.614 40 0 EFABMO Cc1cccc(CN2CC[C@]3(CCC[N@@H+](Cc4ccco4)C3)C2=O)n1 ZINC000096048786 473272117 /nfs/dbraw/zinc/27/21/17/473272117.db2.gz XRBFRNVMGXOUAI-FQEVSTJZSA-N 1 1 339.439 2.998 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096048352 473272245 /nfs/dbraw/zinc/27/22/45/473272245.db2.gz IYOXGKSTFBAMBO-MJGOQNOKSA-N 1 1 342.418 2.851 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3cccnc3)C2)CN1c1cccc(F)c1 ZINC000096050731 473273262 /nfs/dbraw/zinc/27/32/62/473273262.db2.gz PGFAWJPIUUZKFQ-IBGZPJMESA-N 1 1 325.387 2.850 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C)o1 ZINC000096050214 473273867 /nfs/dbraw/zinc/27/38/67/473273867.db2.gz PUFZJZAAHMGRBA-FQEVSTJZSA-N 1 1 339.439 2.511 40 0 EFABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](CC4CCOCC4)C3)CC2=O)s1 ZINC000096050886 473273926 /nfs/dbraw/zinc/27/39/26/473273926.db2.gz IDWGLQFNYAIOIG-SFHVURJKSA-N 1 1 334.485 2.912 40 0 EFABMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3Cc2cccs2)n1 ZINC000096054034 473275876 /nfs/dbraw/zinc/27/58/76/473275876.db2.gz MATFEKDINOZCKM-IRXDYDNUSA-N 1 1 327.453 2.827 40 0 EFABMO O=C(NCC1CC1)[C@H]1C[N@@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052125 473276182 /nfs/dbraw/zinc/27/61/82/473276182.db2.gz SSJGZSOELUWJAD-MRXNPFEDSA-N 1 1 334.485 2.503 40 0 EFABMO Cc1ccc(CN2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096055179 473279578 /nfs/dbraw/zinc/27/95/78/473279578.db2.gz UCHVROFCVYEEKD-UYAOXDASSA-N 1 1 341.455 2.706 40 0 EFABMO Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)o1 ZINC000096055179 473279587 /nfs/dbraw/zinc/27/95/87/473279587.db2.gz UCHVROFCVYEEKD-UYAOXDASSA-N 1 1 341.455 2.706 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1cnccn1)CC2 ZINC000096051586 473276949 /nfs/dbraw/zinc/27/69/49/473276949.db2.gz YCUOXXRMZPZGMA-QGZVFWFLSA-N 1 1 340.427 2.586 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@@H](OCc4ccccn4)C[C@H]3C2)cs1 ZINC000096055121 473277744 /nfs/dbraw/zinc/27/77/44/473277744.db2.gz OUPCXOYGLAYPHJ-ROUUACIJSA-N 1 1 329.469 2.618 40 0 EFABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096055908 473277855 /nfs/dbraw/zinc/27/78/55/473277855.db2.gz OCPRLCBKUUVAJE-PXNSSMCTSA-N 1 1 345.487 2.567 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)o1 ZINC000096055084 473278689 /nfs/dbraw/zinc/27/86/89/473278689.db2.gz GJNBJGJWLCNZOD-AZUAARDMSA-N 1 1 341.455 2.767 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@@H]3CN(Cc4ccsc4)CC[N@H+]3C2)n1 ZINC000096055074 473278711 /nfs/dbraw/zinc/27/87/11/473278711.db2.gz QZYJRGYUHLKPJL-RTBURBONSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccsc3)[C@@H]3COC[C@H]23)cs1 ZINC000096055877 473279017 /nfs/dbraw/zinc/27/90/17/473279017.db2.gz CQHDAAKUVLOSLU-ARFHVFGLSA-N 1 1 336.482 2.929 40 0 EFABMO CCOC(=O)[C@@]12C[N@H+](C(C)C)C[C@@H]1CN(Cc1ccoc1)CCC2 ZINC000096055900 473279267 /nfs/dbraw/zinc/27/92/67/473279267.db2.gz FOXSLWBHUFNJGD-HKUYNNGSSA-N 1 1 334.460 2.765 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)s1 ZINC000096055275 473279347 /nfs/dbraw/zinc/27/93/47/473279347.db2.gz WLEBBYSTXLBLCK-HYVNUMGLSA-N 1 1 345.468 2.905 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@@H]32)o1 ZINC000096058096 473280199 /nfs/dbraw/zinc/28/01/99/473280199.db2.gz LPGMULJPPUHMBM-OTWHNJEPSA-N 1 1 328.412 2.932 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000096056294 473280440 /nfs/dbraw/zinc/28/04/40/473280440.db2.gz XYDKBINDCMYMLF-YTQUADARSA-N 1 1 330.428 2.842 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]21 ZINC000096056294 473280448 /nfs/dbraw/zinc/28/04/48/473280448.db2.gz XYDKBINDCMYMLF-YTQUADARSA-N 1 1 330.428 2.842 40 0 EFABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC000096056640 473280699 /nfs/dbraw/zinc/28/06/99/473280699.db2.gz RUTUMGDJWNPMHI-RTBURBONSA-N 1 1 336.439 2.551 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)cc1 ZINC000096057356 473281263 /nfs/dbraw/zinc/28/12/63/473281263.db2.gz UPODZLHYGFTDAF-ZACQAIPSSA-N 1 1 329.400 2.881 40 0 EFABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccncc2)n1 ZINC000096056641 473281541 /nfs/dbraw/zinc/28/15/41/473281541.db2.gz WETHQZZQQDDDIV-RTBURBONSA-N 1 1 336.439 2.551 40 0 EFABMO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](C(=O)NCC4CC4)C[C@H]32)s1 ZINC000096056702 473281567 /nfs/dbraw/zinc/28/15/67/473281567.db2.gz FWEULCOBMDGAPD-USXIJHARSA-N 1 1 334.485 2.562 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](C(=O)NCC4CC4)C[C@H]32)s1 ZINC000096056702 473281573 /nfs/dbraw/zinc/28/15/73/473281573.db2.gz FWEULCOBMDGAPD-USXIJHARSA-N 1 1 334.485 2.562 40 0 EFABMO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccco3)O2)CC1 ZINC000096057534 473282019 /nfs/dbraw/zinc/28/20/19/473282019.db2.gz YVCBGNDQAKDKFP-KZNAEPCWSA-N 1 1 332.444 2.660 40 0 EFABMO O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000096058256 473283117 /nfs/dbraw/zinc/28/31/17/473283117.db2.gz KZSWZDJEYBFUBB-IXDOHACOSA-N 1 1 334.485 2.501 40 0 EFABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1cccnc1)C2 ZINC000096059947 473283900 /nfs/dbraw/zinc/28/39/00/473283900.db2.gz KLUOPGLTOGNOJW-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1cccnc1)C2 ZINC000096059947 473283905 /nfs/dbraw/zinc/28/39/05/473283905.db2.gz KLUOPGLTOGNOJW-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO CCOC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2cn(CC3CC3)nc21 ZINC000096059978 473284213 /nfs/dbraw/zinc/28/42/13/473284213.db2.gz QSCGKVRVWDNXTM-SFHVURJKSA-N 1 1 333.476 2.655 40 0 EFABMO COc1ccc(C[N@@H+]2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)cc1 ZINC000096061734 473286077 /nfs/dbraw/zinc/28/60/77/473286077.db2.gz FFAIUXQEZHIUJR-UXHICEINSA-N 1 1 325.456 2.837 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)cc1 ZINC000096061734 473286082 /nfs/dbraw/zinc/28/60/82/473286082.db2.gz FFAIUXQEZHIUJR-UXHICEINSA-N 1 1 325.456 2.837 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1C[N@@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065593 473287608 /nfs/dbraw/zinc/28/76/08/473287608.db2.gz YNFCZTWPZLWNMA-YESZJQIVSA-N 1 1 343.452 2.619 40 0 EFABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC000096073276 473289883 /nfs/dbraw/zinc/28/98/83/473289883.db2.gz JOKLBSPFKZXZCK-GOSISDBHSA-N 1 1 348.487 2.762 40 0 EFABMO C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2[N@@H+](C)Cc1cccnc1 ZINC000096063718 473288199 /nfs/dbraw/zinc/28/81/99/473288199.db2.gz PSMGYCXHCXOEDX-IQRFUGTFSA-N 1 1 327.472 2.797 40 0 EFABMO COCCC(=O)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096071057 473288784 /nfs/dbraw/zinc/28/87/84/473288784.db2.gz WSZALTBSWHEWAK-SFHVURJKSA-N 1 1 336.863 2.943 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)N(C)C)C3)cc1 ZINC000096071592 473289596 /nfs/dbraw/zinc/28/95/96/473289596.db2.gz IKPKOMHGDZADFN-LJQANCHMSA-N 1 1 331.460 2.665 40 0 EFABMO Cn1ccc(C(=O)N[C@@H]2CCC23CC[NH+](Cc2nccs2)CC3)c1 ZINC000096078366 473291755 /nfs/dbraw/zinc/29/17/55/473291755.db2.gz ILKANCIXTRVPGL-OAHLLOKOSA-N 1 1 344.484 2.656 40 0 EFABMO CN(C)CC(=O)N1CCC2(C[C@@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096079210 473291770 /nfs/dbraw/zinc/29/17/70/473291770.db2.gz FNYHIFWRFVKDDX-LJQANCHMSA-N 1 1 341.499 2.649 40 0 EFABMO CC(C)Nc1nc2c(c(NC(C)C)n1)CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096083844 473293436 /nfs/dbraw/zinc/29/34/36/473293436.db2.gz XWRITROSWQMLIS-HNNXBMFYSA-N 1 1 347.507 2.554 40 0 EFABMO O=C(c1ccco1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096100142 473295847 /nfs/dbraw/zinc/29/58/47/473295847.db2.gz KDERMUPODSJSTH-LJQANCHMSA-N 1 1 325.412 2.803 40 0 EFABMO O=C(c1ccncc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096100630 473296784 /nfs/dbraw/zinc/29/67/84/473296784.db2.gz BWBWBXDAQQUCDI-HXUWFJFHSA-N 1 1 336.439 2.605 40 0 EFABMO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccncc1)C2 ZINC000096107565 473299818 /nfs/dbraw/zinc/29/98/18/473299818.db2.gz FVUCJSTVWAOMGA-LPHOPBHVSA-N 1 1 343.402 2.818 40 0 EFABMO O=C1[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107136 473300460 /nfs/dbraw/zinc/30/04/60/473300460.db2.gz VUDLVBBIKDMDHK-CVEARBPZSA-N 1 1 332.425 2.595 40 0 EFABMO c1ccc(O[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)nc1 ZINC000096107529 473300485 /nfs/dbraw/zinc/30/04/85/473300485.db2.gz LGLCLGZYKHELCR-HKUYNNGSSA-N 1 1 325.412 2.679 40 0 EFABMO c1ccc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096107337 473300628 /nfs/dbraw/zinc/30/06/28/473300628.db2.gz YSSJDDZZQRIEKR-UXHICEINSA-N 1 1 346.471 2.648 40 0 EFABMO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)cs1 ZINC000096107623 473300710 /nfs/dbraw/zinc/30/07/10/473300710.db2.gz LALZZKRGCDTXNQ-IRXDYDNUSA-N 1 1 334.441 2.995 40 0 EFABMO CO[C@@H]1CCN(Cc2ccc(C)o2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096108575 473301348 /nfs/dbraw/zinc/30/13/48/473301348.db2.gz TXGUSPBJKYSCER-XUVXKRRUSA-N 1 1 341.455 2.704 40 0 EFABMO CO[C@@H]1CC[N@H+](Cc2ccc(C)o2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108575 473301356 /nfs/dbraw/zinc/30/13/56/473301356.db2.gz TXGUSPBJKYSCER-XUVXKRRUSA-N 1 1 341.455 2.704 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)o2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108575 473301361 /nfs/dbraw/zinc/30/13/61/473301361.db2.gz TXGUSPBJKYSCER-XUVXKRRUSA-N 1 1 341.455 2.704 40 0 EFABMO CN(C)C(=O)COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096109165 473301392 /nfs/dbraw/zinc/30/13/92/473301392.db2.gz UOKQQYTZZOMQDV-APWZRJJASA-N 1 1 334.435 2.533 40 0 EFABMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COc3cccnc3)C2)cc1 ZINC000096108822 473302463 /nfs/dbraw/zinc/30/24/63/473302463.db2.gz IHULOPOVZIGPRE-XLIONFOSSA-N 1 1 340.423 2.618 40 0 EFABMO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000185020934 473302974 /nfs/dbraw/zinc/30/29/74/473302974.db2.gz FGIWKPACTQNWSC-AWEZNQCLSA-N 1 1 337.427 2.916 40 0 EFABMO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccccn1)C2 ZINC000096110439 473303400 /nfs/dbraw/zinc/30/34/00/473303400.db2.gz UABKALQURZXLTD-MJGOQNOKSA-N 1 1 343.402 2.676 40 0 EFABMO C[C@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1CC1CCOCC1 ZINC000096109841 473303673 /nfs/dbraw/zinc/30/36/73/473303673.db2.gz BMEOPNMRPBLIKQ-HNNXBMFYSA-N 1 1 342.443 2.660 40 0 EFABMO C[C@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1CC1CCOCC1 ZINC000096109841 473303681 /nfs/dbraw/zinc/30/36/81/473303681.db2.gz BMEOPNMRPBLIKQ-HNNXBMFYSA-N 1 1 342.443 2.660 40 0 EFABMO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096158185 473318067 /nfs/dbraw/zinc/31/80/67/473318067.db2.gz CHMNAZQDJSLTCR-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096158146 473318627 /nfs/dbraw/zinc/31/86/27/473318627.db2.gz YVRDXDVJPXFRBG-HXUWFJFHSA-N 1 1 336.439 2.605 40 0 EFABMO COc1ncccc1C[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096159541 473320470 /nfs/dbraw/zinc/32/04/70/473320470.db2.gz NKRCUQZKMWFTOO-GOSISDBHSA-N 1 1 343.452 2.781 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096186128 473326228 /nfs/dbraw/zinc/32/62/28/473326228.db2.gz RYUXWTXWAILVHM-AABGKKOBSA-N 1 1 339.439 2.815 40 0 EFABMO Cc1ccc(CN2CC[C@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C)C2)s1 ZINC000096185669 473326527 /nfs/dbraw/zinc/32/65/27/473326527.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 1 1 330.501 2.848 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@H](Cn4cccn4)N3C)C2)s1 ZINC000096185669 473326556 /nfs/dbraw/zinc/32/65/56/473326556.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 1 1 330.501 2.848 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@H](Cn4cccn4)N3C)C2)s1 ZINC000096185669 473326560 /nfs/dbraw/zinc/32/65/60/473326560.db2.gz IJKGATOSEBLPIP-NUJGCVRESA-N 1 1 330.501 2.848 40 0 EFABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1 ZINC000096184572 473327315 /nfs/dbraw/zinc/32/73/15/473327315.db2.gz YCHOSPNXQRMHAV-CVEARBPZSA-N 1 1 331.416 2.771 40 0 EFABMO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1 ZINC000096184572 473327321 /nfs/dbraw/zinc/32/73/21/473327321.db2.gz YCHOSPNXQRMHAV-CVEARBPZSA-N 1 1 331.416 2.771 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccco2)O1 ZINC000096186978 473329196 /nfs/dbraw/zinc/32/91/96/473329196.db2.gz HUJYXOGRZGHFNK-ZACQAIPSSA-N 1 1 346.452 2.779 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)cc1 ZINC000096186331 473329553 /nfs/dbraw/zinc/32/95/53/473329553.db2.gz GYRILKJOYVOLOZ-PMACEKPBSA-N 1 1 342.483 2.987 40 0 EFABMO Cc1nc(CO[C@H]2C[N@H+](Cc3ccoc3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187140 473329753 /nfs/dbraw/zinc/32/97/53/473329753.db2.gz FNACVNWBFZRZOG-IKGGRYGDSA-N 1 1 334.441 2.993 40 0 EFABMO Cc1nc(CO[C@H]2C[N@@H+](Cc3ccoc3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187140 473329758 /nfs/dbraw/zinc/32/97/58/473329758.db2.gz FNACVNWBFZRZOG-IKGGRYGDSA-N 1 1 334.441 2.993 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@@H+](Cc1cccnc1)C2 ZINC000096189176 473330614 /nfs/dbraw/zinc/33/06/14/473330614.db2.gz IKEIUPAEIHJTRV-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@H+](Cc1cccnc1)C2 ZINC000096189176 473330620 /nfs/dbraw/zinc/33/06/20/473330620.db2.gz IKEIUPAEIHJTRV-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO Cc1csc(C2([NH2+]CC(=O)NCc3ccccn3)CCCC2)n1 ZINC000083216111 473333855 /nfs/dbraw/zinc/33/38/55/473333855.db2.gz VNZGJEPHCVEQJB-UHFFFAOYSA-N 1 1 330.457 2.522 40 0 EFABMO COCCO[C@@H]1CC[N@@H+](Cc2nccs2)[C@H]1Cc1ccccc1 ZINC000096200072 473335022 /nfs/dbraw/zinc/33/50/22/473335022.db2.gz GKWYEGIZWCSCTL-DLBZAZTESA-N 1 1 332.469 2.992 40 0 EFABMO Cc1nc(CN2CCN(C(=O)C3CC3)Cc3ccc(C)[nH+]c32)cs1 ZINC000096199098 473335257 /nfs/dbraw/zinc/33/52/57/473335257.db2.gz HSNRZANPSOIVRQ-UHFFFAOYSA-N 1 1 342.468 2.914 40 0 EFABMO Cc1nc(CN2CC[N@@H+](C[C@@H]3CCOC3)Cc3cccnc32)cs1 ZINC000096198957 473335432 /nfs/dbraw/zinc/33/54/32/473335432.db2.gz QELUBOHZKLFBBU-HNNXBMFYSA-N 1 1 344.484 2.705 40 0 EFABMO c1cc(CC[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccn1 ZINC000124980975 473335949 /nfs/dbraw/zinc/33/59/49/473335949.db2.gz CUUVZYSXIXRRJS-QGZVFWFLSA-N 1 1 325.460 2.822 40 0 EFABMO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)cs1 ZINC000096201817 473337249 /nfs/dbraw/zinc/33/72/49/473337249.db2.gz ZLDFHMOMCCYWKE-FUHWJXTLSA-N 1 1 327.453 2.557 40 0 EFABMO Cc1nc(CN2CC[C@]3(C2)COCC[N@@H+](Cc2ccco2)C3)cs1 ZINC000096202115 473337273 /nfs/dbraw/zinc/33/72/73/473337273.db2.gz YYIRCKGTJBDCJA-GOSISDBHSA-N 1 1 347.484 2.769 40 0 EFABMO Fc1ccc(CN2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202042 473337581 /nfs/dbraw/zinc/33/75/81/473337581.db2.gz IKOZMKMLIKDVEA-FQEVSTJZSA-N 1 1 348.462 2.529 40 0 EFABMO Cc1nc(CN2CCOC[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)cs1 ZINC000096202128 473337630 /nfs/dbraw/zinc/33/76/30/473337630.db2.gz PHFPNHORYZXDJC-GOSISDBHSA-N 1 1 347.484 2.769 40 0 EFABMO c1csc(CN2CC[C@]3(C2)COCC[N@@H+](Cc2ccsc2)C3)n1 ZINC000096202204 473337805 /nfs/dbraw/zinc/33/78/05/473337805.db2.gz FAJDUCVBCFSHSG-QGZVFWFLSA-N 1 1 349.525 2.929 40 0 EFABMO O=C(c1cscn1)N1CCC2(C[NH+](Cc3cccc(F)c3)C2)C1 ZINC000096202448 473337987 /nfs/dbraw/zinc/33/79/87/473337987.db2.gz HMOJYJDVHMIUIL-UHFFFAOYSA-N 1 1 331.416 2.630 40 0 EFABMO c1csc(CN2CCOC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338612 /nfs/dbraw/zinc/33/86/12/473338612.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 1 1 343.496 2.868 40 0 EFABMO c1csc(C[N@H+]2CCOC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338624 /nfs/dbraw/zinc/33/86/24/473338624.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 1 1 343.496 2.868 40 0 EFABMO c1csc(C[N@@H+]2CCOC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096202097 473338634 /nfs/dbraw/zinc/33/86/34/473338634.db2.gz BVFSPEOCGOHPNL-LJQANCHMSA-N 1 1 343.496 2.868 40 0 EFABMO O=C(COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccsc1)C2)N1CCCC1 ZINC000096206500 473339831 /nfs/dbraw/zinc/33/98/31/473339831.db2.gz ZVNLIBJYPYZMJE-MJGOQNOKSA-N 1 1 348.512 2.989 40 0 EFABMO c1coc(C[N@H+]2Cc3cncn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096206478 473340478 /nfs/dbraw/zinc/34/04/78/473340478.db2.gz QSYIFLLCHCCTDR-KRWDZBQOSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3cncn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096206478 473340485 /nfs/dbraw/zinc/34/04/85/473340485.db2.gz QSYIFLLCHCCTDR-KRWDZBQOSA-N 1 1 338.411 2.720 40 0 EFABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1)c1ccsc1 ZINC000096206633 473341121 /nfs/dbraw/zinc/34/11/21/473341121.db2.gz JJVVWMAXZHAEPU-CRAIPNDOSA-N 1 1 346.452 2.895 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3ccc[nH]3)C2)cc1 ZINC000190637586 473341627 /nfs/dbraw/zinc/34/16/27/473341627.db2.gz ZJQNPHIBGDXLNO-INIZCTEOSA-N 1 1 347.484 2.514 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc[nH]3)C2)cc1 ZINC000190637586 473341633 /nfs/dbraw/zinc/34/16/33/473341633.db2.gz ZJQNPHIBGDXLNO-INIZCTEOSA-N 1 1 347.484 2.514 40 0 EFABMO CN(C)C(=O)C[C@H]1OC[C@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]12 ZINC000096207826 473341821 /nfs/dbraw/zinc/34/18/21/473341821.db2.gz YBQCMHLZFXGKSL-BFYDXBDKSA-N 1 1 336.863 2.655 40 0 EFABMO c1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)co1 ZINC000096206968 473341858 /nfs/dbraw/zinc/34/18/58/473341858.db2.gz PRAHDOLRSGTLJI-OALUTQOASA-N 1 1 335.444 2.846 40 0 EFABMO O=C(C[C@]12COC[C@H]1C[N@H+](C1CCCC1)C2)NCCc1cccs1 ZINC000096207805 473341880 /nfs/dbraw/zinc/34/18/80/473341880.db2.gz UIXKNXHPEGHGIV-BEFAXECRSA-N 1 1 348.512 2.688 40 0 EFABMO O=C(COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccco1)C2)N1CCCC1 ZINC000096209049 473344075 /nfs/dbraw/zinc/34/40/75/473344075.db2.gz GOVNBVKDWAAIGS-APWZRJJASA-N 1 1 332.444 2.521 40 0 EFABMO Cc1cccc(COC[C@]23COC[C@H]2C[N@@H+](Cc2ccoc2)C3)n1 ZINC000096209010 473345683 /nfs/dbraw/zinc/34/56/83/473345683.db2.gz SVNAWZBZHKHVIL-MJGOQNOKSA-N 1 1 328.412 2.648 40 0 EFABMO COC[C@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)[N@H+]1CC1CC1 ZINC000096209085 473345771 /nfs/dbraw/zinc/34/57/71/473345771.db2.gz MIWPQKUKSFPQHC-QGZVFWFLSA-N 1 1 346.471 2.704 40 0 EFABMO CC[N@H+]1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)c3ccoc3C)C2)C1 ZINC000096209893 473346187 /nfs/dbraw/zinc/34/61/87/473346187.db2.gz MAOLYUWUKGSWHR-FXAWDEMLSA-N 1 1 346.471 2.799 40 0 EFABMO Cc1cnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2nccs2)C3)nc1 ZINC000096215745 473346396 /nfs/dbraw/zinc/34/63/96/473346396.db2.gz KLFOLXJLOARIMR-KRWDZBQOSA-N 1 1 329.473 2.734 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)c1ccc(F)c(F)c1)CC2 ZINC000096215427 473347141 /nfs/dbraw/zinc/34/71/41/473347141.db2.gz KYFPWPZQYMDSRQ-AWEZNQCLSA-N 1 1 338.398 2.538 40 0 EFABMO COc1ccc(CN2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC000096216766 473349700 /nfs/dbraw/zinc/34/97/00/473349700.db2.gz FPSKGTLAFHRAAG-TZIWHRDSSA-N 1 1 344.499 2.876 40 0 EFABMO O=C(C1CCC1)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC000096217559 473350134 /nfs/dbraw/zinc/35/01/34/473350134.db2.gz VXHUYHLXWZAGOU-TZIWHRDSSA-N 1 1 346.515 2.774 40 0 EFABMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1scnc1C)C2 ZINC000096220173 473353669 /nfs/dbraw/zinc/35/36/69/473353669.db2.gz MKZLHDFNAFOHLO-AEFFLSMTSA-N 1 1 335.517 2.632 40 0 EFABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)c1ccco1 ZINC000096218399 473351556 /nfs/dbraw/zinc/35/15/56/473351556.db2.gz PIACLUGHOJPHJY-MAUKXSAKSA-N 1 1 346.452 2.895 40 0 EFABMO C[N@H+]1C[C@H](COCc2cccnc2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096218495 473351968 /nfs/dbraw/zinc/35/19/68/473351968.db2.gz QNISCQVOBQJBPT-UYAOXDASSA-N 1 1 341.455 2.645 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)s1 ZINC000096219309 473352607 /nfs/dbraw/zinc/35/26/07/473352607.db2.gz PZKZPORFVLMSDI-YOEHRIQHSA-N 1 1 330.457 2.692 40 0 EFABMO CN(Cc1ccccn1)[C@H]1CO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096219877 473354295 /nfs/dbraw/zinc/35/42/95/473354295.db2.gz SZDRMCRURFKQDV-IEBWSBKVSA-N 1 1 327.428 2.540 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)cs1 ZINC000096224526 473355546 /nfs/dbraw/zinc/35/55/46/473355546.db2.gz XKNCZFDXKQMBSL-SFHVURJKSA-N 1 1 342.468 2.866 40 0 EFABMO O=C(c1ccccc1F)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228814 473358266 /nfs/dbraw/zinc/35/82/66/473358266.db2.gz MGPTZNOTPSDNNG-FQEVSTJZSA-N 1 1 346.446 2.790 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)s1 ZINC000096225511 473358036 /nfs/dbraw/zinc/35/80/36/473358036.db2.gz LZEDTEVTCFZQJN-QGZVFWFLSA-N 1 1 335.473 2.644 40 0 EFABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228752 473358692 /nfs/dbraw/zinc/35/86/92/473358692.db2.gz YUDPOOJHOYTQKR-GOSISDBHSA-N 1 1 336.501 2.640 40 0 EFABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228862 473359299 /nfs/dbraw/zinc/35/92/99/473359299.db2.gz DVBFFPDRUBGLLJ-HXUWFJFHSA-N 1 1 341.455 2.742 40 0 EFABMO O=C(c1ccccc1F)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228815 473359333 /nfs/dbraw/zinc/35/93/33/473359333.db2.gz MGPTZNOTPSDNNG-HXUWFJFHSA-N 1 1 346.446 2.790 40 0 EFABMO O=C(c1ccsc1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228812 473359460 /nfs/dbraw/zinc/35/94/60/473359460.db2.gz WOMYHRHNPXDNNX-SFHVURJKSA-N 1 1 334.485 2.713 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3CN(Cc4cccnc4)C(=O)[C@@H]3C2)s1 ZINC000096245076 473362642 /nfs/dbraw/zinc/36/26/42/473362642.db2.gz ABLRASQHRDRBPC-NVXWUHKLSA-N 1 1 327.453 2.542 40 0 EFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1cccc(F)c1)CCC2 ZINC000096259229 473367889 /nfs/dbraw/zinc/36/78/89/473367889.db2.gz QTEBOPKGTWOUSD-UHFFFAOYSA-N 1 1 344.434 2.909 40 0 EFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1cccc(F)c1)CCC2 ZINC000096259229 473367895 /nfs/dbraw/zinc/36/78/95/473367895.db2.gz QTEBOPKGTWOUSD-UHFFFAOYSA-N 1 1 344.434 2.909 40 0 EFABMO CC(C)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)cc1 ZINC000096248898 473364046 /nfs/dbraw/zinc/36/40/46/473364046.db2.gz BCWAVWVKHIYYRL-MOPGFXCFSA-N 1 1 338.455 2.690 40 0 EFABMO CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000096251716 473365098 /nfs/dbraw/zinc/36/50/98/473365098.db2.gz OUGWORXLJMWPES-ZOBUZTSGSA-N 1 1 342.468 2.685 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4cnn(C)c4)c3CC2)s1 ZINC000096255193 473366122 /nfs/dbraw/zinc/36/61/22/473366122.db2.gz XWFFMEUXPPFPCE-UHFFFAOYSA-N 1 1 339.468 2.848 40 0 EFABMO CC[N@H+]1CCc2cc(C(=O)N3CCCC3)c(NCC3CC3)nc2CC1 ZINC000096260616 473367993 /nfs/dbraw/zinc/36/79/93/473367993.db2.gz XLCCZGXPXNTSOG-UHFFFAOYSA-N 1 1 342.487 2.560 40 0 EFABMO O=C(C[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)Nc1ccccc1F ZINC000096402527 473379224 /nfs/dbraw/zinc/37/92/24/473379224.db2.gz JYAITQTWTJCBNG-ZIAGYGMSSA-N 1 1 338.448 2.751 40 0 EFABMO O=C(C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)Nc1ccccc1F ZINC000096402527 473379229 /nfs/dbraw/zinc/37/92/29/473379229.db2.gz JYAITQTWTJCBNG-ZIAGYGMSSA-N 1 1 338.448 2.751 40 0 EFABMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cccc2ccccc21 ZINC000083981769 473379822 /nfs/dbraw/zinc/37/98/22/473379822.db2.gz GFHVJMKLINCVAX-UHFFFAOYSA-N 1 1 329.425 2.713 40 0 EFABMO CCC(=O)Nc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000096404168 473380455 /nfs/dbraw/zinc/38/04/55/473380455.db2.gz PUSJZIAQBJSMRJ-MRXNPFEDSA-N 1 1 330.432 2.737 40 0 EFABMO COc1ccc(NC(=O)[C@@H]2CCCN2c2[nH+]cnc3[nH]ccc32)cc1 ZINC000096405941 473382717 /nfs/dbraw/zinc/38/27/17/473382717.db2.gz JTKMWVSXQBXQPY-HNNXBMFYSA-N 1 1 337.383 2.574 40 0 EFABMO Cc1cccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1C ZINC000096406854 473384679 /nfs/dbraw/zinc/38/46/79/473384679.db2.gz UDFMVZKKXAOYAG-GVDBMIGSSA-N 1 1 331.460 2.527 40 0 EFABMO C[S@@](=O)c1ccc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000096409083 473387567 /nfs/dbraw/zinc/38/75/67/473387567.db2.gz JCOMTZCVEHRYJX-OSPHWJPCSA-N 1 1 343.448 2.855 40 0 EFABMO C[S@@](=O)c1ccc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000096409083 473387574 /nfs/dbraw/zinc/38/75/74/473387574.db2.gz JCOMTZCVEHRYJX-OSPHWJPCSA-N 1 1 343.448 2.855 40 0 EFABMO CCO[C@H](C)c1nc(C[N@@H+](C)C2(CO)CCSCC2)cs1 ZINC000096413234 473391694 /nfs/dbraw/zinc/39/16/94/473391694.db2.gz SGPCGIKHHFONEN-GFCCVEGCSA-N 1 1 330.519 2.931 40 0 EFABMO CCO[C@H](C)c1nc(C[N@H+](C)C2(CO)CCSCC2)cs1 ZINC000096413234 473391687 /nfs/dbraw/zinc/39/16/87/473391687.db2.gz SGPCGIKHHFONEN-GFCCVEGCSA-N 1 1 330.519 2.931 40 0 EFABMO C[N@H+]1CCC=C(COC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 ZINC000001640545 471395304 /nfs/dbraw/zinc/39/53/04/471395304.db2.gz MHZWAVGKTGFFPJ-FQEVSTJZSA-N 1 1 329.440 2.870 40 0 EFABMO COC(=O)[C@H]1C[C@@]23C=CC[N@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]43 ZINC000004016723 471457159 /nfs/dbraw/zinc/45/71/59/471457159.db2.gz JSLDLCGKZDUQSH-UXZCKQNASA-N 1 1 336.435 2.562 40 0 EFABMO CCCCOc1ccc(N2C(=N)NC(=[NH2+])NC23CCCCC3)cc1 ZINC000004140308 471460194 /nfs/dbraw/zinc/46/01/94/471460194.db2.gz DUBNRRUGVDBJKB-UHFFFAOYSA-N 1 1 329.448 2.975 40 0 EFABMO COc1ccc(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3[C@@H]2C)cc1OC ZINC000005758928 471519934 /nfs/dbraw/zinc/51/99/34/471519934.db2.gz GMTIVZXAIAADFX-OIISXLGYSA-N 1 1 346.471 2.625 40 0 EFABMO Cc1ccccc1CS(=O)(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000010544100 471738251 /nfs/dbraw/zinc/73/82/51/471738251.db2.gz DBYGZYSSUAEMKE-IYBDPMFKSA-N 1 1 338.517 2.782 40 0 EFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1F ZINC000012998018 471811671 /nfs/dbraw/zinc/81/16/71/471811671.db2.gz QHRUDNBWTMOKML-UHFFFAOYSA-N 1 1 328.387 2.588 40 0 EFABMO COc1cc2c(cc1C[N@H+](CCO)Cc1cccnc1)CCCC2 ZINC000013569646 471833357 /nfs/dbraw/zinc/83/33/57/471833357.db2.gz WBLQXWDZTZSFTC-UHFFFAOYSA-N 1 1 326.440 2.964 40 0 EFABMO COc1cc2c(cc1C[N@@H+](CCO)Cc1cccnc1)CCCC2 ZINC000013569646 471833362 /nfs/dbraw/zinc/83/33/62/471833362.db2.gz WBLQXWDZTZSFTC-UHFFFAOYSA-N 1 1 326.440 2.964 40 0 EFABMO Cc1ccc(CS(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013612317 471835002 /nfs/dbraw/zinc/83/50/02/471835002.db2.gz GAOBDYGWLYBQRF-CALCHBBNSA-N 1 1 338.517 2.782 40 0 EFABMO Cc1nn(C)cc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000013994429 471846822 /nfs/dbraw/zinc/84/68/22/471846822.db2.gz YOGBRPAIFOGLKY-KRWDZBQOSA-N 1 1 343.427 2.638 40 0 EFABMO Cc1nn(C)cc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCO1 ZINC000013994429 471846830 /nfs/dbraw/zinc/84/68/30/471846830.db2.gz YOGBRPAIFOGLKY-KRWDZBQOSA-N 1 1 343.427 2.638 40 0 EFABMO O=C([C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1)N1CCCC1 ZINC000014673655 471876775 /nfs/dbraw/zinc/87/67/75/471876775.db2.gz VRCJPMRQMUBNHE-IBGZPJMESA-N 1 1 338.407 2.869 40 0 EFABMO C[N@H+](Cc1ccccc1N1CCOCC1)C[C@@H](O)c1ccccc1 ZINC000016425293 471936690 /nfs/dbraw/zinc/93/66/90/471936690.db2.gz LWHZDYUDTGXGAV-HXUWFJFHSA-N 1 1 326.440 2.689 40 0 EFABMO CCOc1ccc(/C=C2/NC(=S)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000017222859 471958714 /nfs/dbraw/zinc/95/87/14/471958714.db2.gz DOKREOUOMDANDF-FOWTUZBSSA-N 1 1 345.468 2.586 40 0 EFABMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccs1 ZINC000017178583 471958839 /nfs/dbraw/zinc/95/88/39/471958839.db2.gz LYDUSDXRLKSALW-INIZCTEOSA-N 1 1 330.453 2.942 40 0 EFABMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccs1 ZINC000017178583 471958844 /nfs/dbraw/zinc/95/88/44/471958844.db2.gz LYDUSDXRLKSALW-INIZCTEOSA-N 1 1 330.453 2.942 40 0 EFABMO CC(=O)Nc1ccc(N2C(=O)C[C@H]([N@H+](C)C3CCCCC3)C2=O)cc1 ZINC000019022516 471976576 /nfs/dbraw/zinc/97/65/76/471976576.db2.gz XUQLWSMKJRNVJF-KRWDZBQOSA-N 1 1 343.427 2.541 40 0 EFABMO Cc1[nH+]ccn1CCC(=O)N[C@@H](c1cccs1)c1ccncc1 ZINC000019288057 471977870 /nfs/dbraw/zinc/97/78/70/471977870.db2.gz STCGMVMLSSMMLA-QGZVFWFLSA-N 1 1 326.425 2.944 40 0 EFABMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000019288120 471977930 /nfs/dbraw/zinc/97/79/30/471977930.db2.gz FWJWNBOBUXSTIX-UHFFFAOYSA-N 1 1 346.406 2.586 40 0 EFABMO Cc1nc2c(c(N3CCSCC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286236 471978076 /nfs/dbraw/zinc/97/80/76/471978076.db2.gz VVNDIPJILCUNKD-UHFFFAOYSA-N 1 1 340.496 2.897 40 0 EFABMO Cc1nc2c(c(N3CCSCC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286236 471978085 /nfs/dbraw/zinc/97/80/85/471978085.db2.gz VVNDIPJILCUNKD-UHFFFAOYSA-N 1 1 340.496 2.897 40 0 EFABMO Cc1[nH+]ccn1CCC(=O)N[C@H](c1cccs1)c1ccncc1 ZINC000019288054 471978282 /nfs/dbraw/zinc/97/82/82/471978282.db2.gz STCGMVMLSSMMLA-KRWDZBQOSA-N 1 1 326.425 2.944 40 0 EFABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1C[N@H+](C1CCCC1)CC2 ZINC000019711532 471982635 /nfs/dbraw/zinc/98/26/35/471982635.db2.gz QFGLVISQHUTJHJ-QGZVFWFLSA-N 1 1 343.475 2.502 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)cn1 ZINC000019688575 471982774 /nfs/dbraw/zinc/98/27/74/471982774.db2.gz SOKJNMKGGXHZOF-KRWDZBQOSA-N 1 1 336.443 2.595 40 0 EFABMO CC[N@@H+]1CCc2nc(NC(=O)c3cn4ccc(C)cc4n3)sc2C1 ZINC000021295686 471998171 /nfs/dbraw/zinc/99/81/71/471998171.db2.gz NCWKUGDQJQITBS-UHFFFAOYSA-N 1 1 341.440 2.730 40 0 EFABMO CC[N@H+]1CCc2nc(NC(=O)c3cn4ccc(C)cc4n3)sc2C1 ZINC000021295686 471998176 /nfs/dbraw/zinc/99/81/76/471998176.db2.gz NCWKUGDQJQITBS-UHFFFAOYSA-N 1 1 341.440 2.730 40 0 EFABMO CC(C)c1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000022248196 472011945 /nfs/dbraw/zinc/01/19/45/472011945.db2.gz XUKODHOJSYWPDW-AEFFLSMTSA-N 1 1 344.455 2.679 40 0 EFABMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(O)CC1 ZINC000023993305 472042141 /nfs/dbraw/zinc/04/21/41/472042141.db2.gz CIIQQUDNCALSNZ-INIZCTEOSA-N 1 1 338.451 2.737 40 0 EFABMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(O)CC1 ZINC000023993303 472042484 /nfs/dbraw/zinc/04/24/84/472042484.db2.gz CIIQQUDNCALSNZ-MRXNPFEDSA-N 1 1 338.451 2.737 40 0 EFABMO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000026898327 472154464 /nfs/dbraw/zinc/15/44/64/472154464.db2.gz JCQKPXHKGNJTQQ-HXUWFJFHSA-N 1 1 338.451 2.936 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2n[nH]cc2Br)cc1 ZINC000028242248 472218254 /nfs/dbraw/zinc/21/82/54/472218254.db2.gz FFQPFJCAHIQPCE-UHFFFAOYSA-N 1 1 346.188 2.919 40 0 EFABMO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074871 472262193 /nfs/dbraw/zinc/26/21/93/472262193.db2.gz QQRXNEXTBRKGSH-MOPGFXCFSA-N 1 1 349.438 2.750 40 0 EFABMO O[C@@H](C[C@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074871 472262194 /nfs/dbraw/zinc/26/21/94/472262194.db2.gz QQRXNEXTBRKGSH-MOPGFXCFSA-N 1 1 349.438 2.750 40 0 EFABMO Cc1nc(C)c(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)s1 ZINC000086231101 472276054 /nfs/dbraw/zinc/27/60/54/472276054.db2.gz QMYIELGXYQLOID-UHFFFAOYSA-N 1 1 341.431 2.669 40 0 EFABMO O=C(/C=C/c1ccsc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882213 472302453 /nfs/dbraw/zinc/30/24/53/472302453.db2.gz IGPABFYSHPLJHL-AATRIKPKSA-N 1 1 342.464 2.910 40 0 EFABMO Cc1cnn(CCC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000076389557 472337514 /nfs/dbraw/zinc/33/75/14/472337514.db2.gz XQBBRJADVZLQIK-GOSISDBHSA-N 1 1 340.471 2.705 40 0 EFABMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)CCCO)cc1F ZINC000088614224 472378025 /nfs/dbraw/zinc/37/80/25/472378025.db2.gz JMGVCICEMRQRHQ-OLZOCXBDSA-N 1 1 348.422 2.841 40 0 EFABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C(F)(F)F)CC1 ZINC000057316818 472414245 /nfs/dbraw/zinc/41/42/45/472414245.db2.gz GQEIXVNIHDRWKO-UHFFFAOYSA-N 1 1 335.757 2.983 40 0 EFABMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCc2cccc(Br)c2)C1 ZINC000097095447 472443096 /nfs/dbraw/zinc/44/30/96/472443096.db2.gz KZVVEWDQEHQGQQ-HNNXBMFYSA-N 1 1 339.277 2.792 40 0 EFABMO CCCC(=O)Nc1cccc(NC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000077202131 472473122 /nfs/dbraw/zinc/47/31/22/472473122.db2.gz WLUAUAFLEHEXNX-UHFFFAOYSA-N 1 1 330.432 2.737 40 0 EFABMO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000097376970 472494944 /nfs/dbraw/zinc/49/49/44/472494944.db2.gz HTTLJEJXMJJWBR-UHFFFAOYSA-N 1 1 341.455 2.887 40 0 EFABMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCCC2(C1)OCCO2 ZINC000097376970 472494954 /nfs/dbraw/zinc/49/49/54/472494954.db2.gz HTTLJEJXMJJWBR-UHFFFAOYSA-N 1 1 341.455 2.887 40 0 EFABMO CC[NH+]1CCN(c2c(N)cc(C(=O)OC(C)C)cc2Cl)CC1 ZINC000070462677 472498979 /nfs/dbraw/zinc/49/89/79/472498979.db2.gz FNEAJFACJFMILU-UHFFFAOYSA-N 1 1 325.840 2.629 40 0 EFABMO Cc1cccn2cc(CNC3CC[NH+](Cc4ccncc4)CC3)nc12 ZINC000090045271 472584775 /nfs/dbraw/zinc/58/47/75/472584775.db2.gz FVMYTGOVZMEOEK-UHFFFAOYSA-N 1 1 335.455 2.792 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cccc(Br)c2)C1 ZINC000046877536 472616270 /nfs/dbraw/zinc/61/62/70/472616270.db2.gz ZQSNOACYPQTVAB-GFCCVEGCSA-N 1 1 325.250 2.911 40 0 EFABMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000072012769 472628503 /nfs/dbraw/zinc/62/85/03/472628503.db2.gz CIPHESLRTBRJDI-CYBMUJFWSA-N 1 1 344.846 2.740 40 0 EFABMO CC[C@H](O)c1c[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000072223655 472634502 /nfs/dbraw/zinc/63/45/02/472634502.db2.gz UYVLVQQXDRSPJJ-HNNXBMFYSA-N 1 1 335.448 2.891 40 0 EFABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000072227954 472636134 /nfs/dbraw/zinc/63/61/34/472636134.db2.gz IGZUWZPIIAMLEA-JKSUJKDBSA-N 1 1 332.787 2.772 40 0 EFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228011 472636360 /nfs/dbraw/zinc/63/63/60/472636360.db2.gz IUTPTDDYDSFIBX-ROUUACIJSA-N 1 1 326.396 2.681 40 0 EFABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000072227845 472636509 /nfs/dbraw/zinc/63/65/09/472636509.db2.gz JHWJVTCSVRULKD-MSOLQXFVSA-N 1 1 326.396 2.736 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072355621 472662525 /nfs/dbraw/zinc/66/25/25/472662525.db2.gz VBBVEEKXZQIWBY-MRXNPFEDSA-N 1 1 327.432 2.541 40 0 EFABMO COc1cc2c(cc1OC)[C@@H](C)[N@H+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC000072342502 472664102 /nfs/dbraw/zinc/66/41/02/472664102.db2.gz UXNDEHDRRIRVTP-CZUORRHYSA-N 1 1 332.444 2.634 40 0 EFABMO CCCCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000063197787 472758586 /nfs/dbraw/zinc/75/85/86/472758586.db2.gz ZBGRFRSDBMZWHX-UHFFFAOYSA-N 1 1 325.409 2.539 40 0 EFABMO COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1C ZINC000091595309 472780830 /nfs/dbraw/zinc/78/08/30/472780830.db2.gz GXESMGQYKJWSJG-HIFRSBDPSA-N 1 1 330.384 2.984 40 0 EFABMO Cc1nc(-c2cccs2)ccc1C(=O)NCCC[NH+]1CCOCC1 ZINC000121145525 472805776 /nfs/dbraw/zinc/80/57/76/472805776.db2.gz KFKKZLKWOBGCCH-UHFFFAOYSA-N 1 1 345.468 2.571 40 0 EFABMO CCN1CC[NH+](CCC(=O)NC2(c3ccccc3)CCCC2)CC1 ZINC000073672627 472850034 /nfs/dbraw/zinc/85/00/34/472850034.db2.gz CRVRSCURUSQMLI-UHFFFAOYSA-N 1 1 329.488 2.600 40 0 EFABMO COCC[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000048426998 472875226 /nfs/dbraw/zinc/87/52/26/472875226.db2.gz XHZBIRCVGJPOSI-UHFFFAOYSA-N 1 1 331.243 2.788 40 0 EFABMO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](C4CCOCC4)C3)o2)cc1 ZINC000049170411 472933924 /nfs/dbraw/zinc/93/39/24/472933924.db2.gz MMEAYTDSHIXZDM-ZDUSSCGKSA-N 1 1 347.390 2.756 40 0 biogenic,in-vitro EFABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](C4CCC4)C3)nc2c1 ZINC000049169110 472934350 /nfs/dbraw/zinc/93/43/50/472934350.db2.gz KOKDDWVPAFUHLH-LBPRGKRZSA-N 1 1 334.441 2.963 40 0 biogenic,in-vitro EFABMO Cn1ccnc1C[N@@H+]1CCC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1 ZINC000107228312 472935542 /nfs/dbraw/zinc/93/55/42/472935542.db2.gz QVYJAAIUHHELSC-MJGOQNOKSA-N 1 1 326.444 2.656 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1 ZINC000107228312 472935548 /nfs/dbraw/zinc/93/55/48/472935548.db2.gz QVYJAAIUHHELSC-MJGOQNOKSA-N 1 1 326.444 2.656 40 0 EFABMO CS(=O)(=O)CC[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000134859290 472978481 /nfs/dbraw/zinc/97/84/81/472978481.db2.gz XCXHAORXDQLFNZ-UHFFFAOYSA-N 1 1 333.906 2.941 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)o1 ZINC000107728559 472978782 /nfs/dbraw/zinc/97/87/82/472978782.db2.gz CEUJYYKUQVHSDF-KDOFPFPSSA-N 1 1 331.391 2.968 40 0 EFABMO O=C(C[C@H]1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]12)NCc1ccco1 ZINC000107745963 472980079 /nfs/dbraw/zinc/98/00/79/472980079.db2.gz DIIFMJYZGOWQQP-BCDXTJNWSA-N 1 1 328.387 2.803 40 0 EFABMO Cc1nc(CN2CC[N@@H+]([C@H]3CCOC3)Cc3ccc(C)nc32)cs1 ZINC000107779662 472981437 /nfs/dbraw/zinc/98/14/37/472981437.db2.gz MUGFMBXNOPNVCQ-KRWDZBQOSA-N 1 1 344.484 2.766 40 0 EFABMO Cc1nc(CN2CC[N@H+]([C@H]3CCOC3)Cc3ccc(C)nc32)cs1 ZINC000107779662 472981442 /nfs/dbraw/zinc/98/14/42/472981442.db2.gz MUGFMBXNOPNVCQ-KRWDZBQOSA-N 1 1 344.484 2.766 40 0 EFABMO CC[N@H+](CCc1scnc1C)CC(=O)Nc1cccc(OC)c1 ZINC000074348648 472994369 /nfs/dbraw/zinc/99/43/69/472994369.db2.gz LAQHCKWICQSBFR-UHFFFAOYSA-N 1 1 333.457 2.963 40 0 EFABMO CC[N@@H+](CCc1scnc1C)CC(=O)Nc1cccc(OC)c1 ZINC000074348648 472994374 /nfs/dbraw/zinc/99/43/74/472994374.db2.gz LAQHCKWICQSBFR-UHFFFAOYSA-N 1 1 333.457 2.963 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N2CCCCO2)C1 ZINC000108526624 473035375 /nfs/dbraw/zinc/03/53/75/473035375.db2.gz YKCLXSDABQWLJA-XLIONFOSSA-N 1 1 343.471 2.936 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCCO3)C2)n1 ZINC000108530119 473035566 /nfs/dbraw/zinc/03/55/66/473035566.db2.gz INIVVPBLGMPUPM-ICSRJNTNSA-N 1 1 343.471 2.936 40 0 EFABMO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccccn1)C2)N1CCCCO1 ZINC000108529853 473036177 /nfs/dbraw/zinc/03/61/77/473036177.db2.gz HDSBRIQVBDVMOV-IEBWSBKVSA-N 1 1 329.444 2.628 40 0 EFABMO Cc1ccccc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC000108533125 473037209 /nfs/dbraw/zinc/03/72/09/473037209.db2.gz ADTWETXWGXGWGC-ROUUACIJSA-N 1 1 340.423 2.704 40 0 EFABMO COC(=O)c1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000109036769 473075734 /nfs/dbraw/zinc/07/57/34/473075734.db2.gz ORKKBJFDLPYQPL-UONOGXRCSA-N 1 1 333.432 2.715 40 0 EFABMO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)n1 ZINC000074991408 473108147 /nfs/dbraw/zinc/10/81/47/473108147.db2.gz JIPDLDSRKJOMDY-QBPKDAKJSA-N 1 1 348.491 2.719 40 0 EFABMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)Nc1ccccc1F ZINC000110569827 473163429 /nfs/dbraw/zinc/16/34/29/473163429.db2.gz JYAITQTWTJCBNG-KBPBESRZSA-N 1 1 338.448 2.751 40 0 EFABMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)Nc1ccccc1F ZINC000110569827 473163436 /nfs/dbraw/zinc/16/34/36/473163436.db2.gz JYAITQTWTJCBNG-KBPBESRZSA-N 1 1 338.448 2.751 40 0 EFABMO Cc1nnc2ccc(NC[C@H]3CCC[N@H+](C)[C@H]3c3ccccc3)nn12 ZINC000110590834 473164094 /nfs/dbraw/zinc/16/40/94/473164094.db2.gz AHRGWWBWFOIISE-APWZRJJASA-N 1 1 336.443 2.928 40 0 EFABMO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110618989 473166862 /nfs/dbraw/zinc/16/68/62/473166862.db2.gz XXWCEVFUUALOIO-VDZJLULYSA-N 1 1 338.455 2.794 40 0 EFABMO C[N@H+]1CCC[C@H](CNC(=O)Nc2nncs2)[C@H]1c1cccs1 ZINC000110633354 473167629 /nfs/dbraw/zinc/16/76/29/473167629.db2.gz NJAUXFJJLLIZJE-PWSUYJOCSA-N 1 1 337.474 2.804 40 0 EFABMO C[C@H]1C[C@H](NCc2nnc3ccccn32)C[N@@H+](Cc2ccccc2)C1 ZINC000136892955 473183288 /nfs/dbraw/zinc/18/32/88/473183288.db2.gz AEEXITJTXLTQPL-WMZOPIPTSA-N 1 1 335.455 2.730 40 0 EFABMO C[C@H]1C[C@H]([NH2+]Cc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136892955 473183290 /nfs/dbraw/zinc/18/32/90/473183290.db2.gz AEEXITJTXLTQPL-WMZOPIPTSA-N 1 1 335.455 2.730 40 0 EFABMO C[C@@H]1C[C@H](N(C)C(=O)COCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000096413963 473393036 /nfs/dbraw/zinc/39/30/36/473393036.db2.gz GSJZLFRBJYMDHX-VQIMIIECSA-N 1 1 330.472 2.925 40 0 EFABMO CC(C)[N@H+]1CCCN(C(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000096416988 473396224 /nfs/dbraw/zinc/39/62/24/473396224.db2.gz XAPVUQKSODKFHG-UHFFFAOYSA-N 1 1 345.365 2.579 40 0 EFABMO COc1cccc([C@H](O)C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424338 473402231 /nfs/dbraw/zinc/40/22/31/473402231.db2.gz DLKZVYJPKOMDIT-OXJNMPFZSA-N 1 1 341.455 2.502 40 0 EFABMO COc1cccc([C@H](O)C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000096424339 473402373 /nfs/dbraw/zinc/40/23/73/473402373.db2.gz DLKZVYJPKOMDIT-OXQOHEQNSA-N 1 1 341.455 2.502 40 0 EFABMO O=S(=O)(/C=C/c1ccccc1Cl)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000096427701 473407322 /nfs/dbraw/zinc/40/73/22/473407322.db2.gz NATFHJZQAOHGAK-AORWBKJGSA-N 1 1 340.876 2.714 40 0 EFABMO CCn1cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000096431359 473410617 /nfs/dbraw/zinc/41/06/17/473410617.db2.gz RBVQGGJSZOSGKD-QGZVFWFLSA-N 1 1 341.459 2.889 40 0 EFABMO C[N@H+]1CCC[C@H](CNC(=O)Nc2nncs2)[C@@H]1c1cccs1 ZINC000096433595 473412847 /nfs/dbraw/zinc/41/28/47/473412847.db2.gz NJAUXFJJLLIZJE-ZYHUDNBSSA-N 1 1 337.474 2.804 40 0 EFABMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000096435177 473414030 /nfs/dbraw/zinc/41/40/30/473414030.db2.gz DWKRZNHLVWBGMK-OAHLLOKOSA-N 1 1 327.432 2.678 40 0 EFABMO CC[N@@H+](CCNC(=O)Nc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000096435224 473414151 /nfs/dbraw/zinc/41/41/51/473414151.db2.gz FNFJTZONORHKFJ-UHFFFAOYSA-N 1 1 348.516 2.846 40 0 EFABMO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)ccc1OC(C)C ZINC000096435272 473414300 /nfs/dbraw/zinc/41/43/00/473414300.db2.gz YPZSEELUMHPBQR-INIZCTEOSA-N 1 1 348.491 2.540 40 0 EFABMO Cc1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000096435935 473415105 /nfs/dbraw/zinc/41/51/05/473415105.db2.gz ZPFSZPLSFBSUMB-SFHVURJKSA-N 1 1 325.412 2.620 40 0 EFABMO Cc1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC000096435935 473415111 /nfs/dbraw/zinc/41/51/11/473415111.db2.gz ZPFSZPLSFBSUMB-SFHVURJKSA-N 1 1 325.412 2.620 40 0 EFABMO CN(C)c1cc(C[NH2+][C@H](C(N)=O)c2ccccc2)c2ccccc2n1 ZINC000096437341 473416058 /nfs/dbraw/zinc/41/60/58/473416058.db2.gz WPQSOHODVMULRY-IBGZPJMESA-N 1 1 334.423 2.617 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000096441000 473418963 /nfs/dbraw/zinc/41/89/63/473418963.db2.gz JKPIHUJFGLHJNI-MRXNPFEDSA-N 1 1 335.467 2.647 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000096440797 473418978 /nfs/dbraw/zinc/41/89/78/473418978.db2.gz FOSYGQLBEKXMCV-MOPGFXCFSA-N 1 1 347.478 2.606 40 0 EFABMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000096441676 473420164 /nfs/dbraw/zinc/42/01/64/473420164.db2.gz XZYATIYBAAKDJK-CABCVRRESA-N 1 1 344.377 2.514 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC(F)(F)F)C2)cc1F ZINC000096441625 473420378 /nfs/dbraw/zinc/42/03/78/473420378.db2.gz PIZODYGCOLNQSV-LBPRGKRZSA-N 1 1 348.340 2.725 40 0 EFABMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCOC3)cc2)C1 ZINC000096443927 473421403 /nfs/dbraw/zinc/42/14/03/473421403.db2.gz WQABZQZPXXKHAJ-HZPDHXFCSA-N 1 1 332.444 2.772 40 0 EFABMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)N[C@@H]2CCCSC2)c1 ZINC000096452318 473428552 /nfs/dbraw/zinc/42/85/52/473428552.db2.gz DOFCSGMYESEKMM-QGZVFWFLSA-N 1 1 344.484 2.935 40 0 EFABMO Brc1cncc(N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000096453276 473428814 /nfs/dbraw/zinc/42/88/14/473428814.db2.gz BVXJCKCCYCJEGD-UHFFFAOYSA-N 1 1 333.233 2.561 40 0 EFABMO NC(=O)N1CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000096452795 473428976 /nfs/dbraw/zinc/42/89/76/473428976.db2.gz PYCXQUZIRZYROT-UHFFFAOYSA-N 1 1 329.366 2.724 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000096454426 473429451 /nfs/dbraw/zinc/42/94/51/473429451.db2.gz YCUIMVLIRQESNB-YOEHRIQHSA-N 1 1 327.403 2.861 40 0 EFABMO O=C(C/C=C/c1cccc(F)c1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000096454365 473429776 /nfs/dbraw/zinc/42/97/76/473429776.db2.gz WXMVKUWIWULJJU-GORDUTHDSA-N 1 1 346.446 2.942 40 0 EFABMO COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000096461728 473433263 /nfs/dbraw/zinc/43/32/63/473433263.db2.gz NMEGGOYHCIZRTR-GJZGRUSLSA-N 1 1 335.448 2.635 40 0 EFABMO COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000096461729 473433499 /nfs/dbraw/zinc/43/34/99/473433499.db2.gz NMEGGOYHCIZRTR-HUUCEWRRSA-N 1 1 335.448 2.635 40 0 EFABMO CC[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1nc2ccccc2[nH]1 ZINC000096486593 473444974 /nfs/dbraw/zinc/44/49/74/473444974.db2.gz HOKCWPGYZLFBIT-CHWSQXEVSA-N 1 1 332.473 2.568 40 0 EFABMO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1ccccc1Br ZINC000096490708 473445856 /nfs/dbraw/zinc/44/58/56/473445856.db2.gz AYRNHZZOXJEYTD-GFCCVEGCSA-N 1 1 348.244 2.811 40 0 EFABMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000096489792 473446255 /nfs/dbraw/zinc/44/62/55/473446255.db2.gz DURYIIGDEGSBGQ-CYBMUJFWSA-N 1 1 346.456 2.916 40 0 EFABMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000096489792 473446263 /nfs/dbraw/zinc/44/62/63/473446263.db2.gz DURYIIGDEGSBGQ-CYBMUJFWSA-N 1 1 346.456 2.916 40 0 EFABMO Fc1cccnc1N1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000127652846 473636984 /nfs/dbraw/zinc/63/69/84/473636984.db2.gz BEUMSVYVPZQWGF-RDJZCZTQSA-N 1 1 337.402 2.902 40 0 EFABMO C[C@@]1(CNC(=O)NCc2nccs2)CCC[N@H+]1Cc1ccccc1 ZINC000186355964 473658203 /nfs/dbraw/zinc/65/82/03/473658203.db2.gz WSXNPQCHIVMGEK-SFHVURJKSA-N 1 1 344.484 2.997 40 0 EFABMO O=C1[C@@H]([NH2+][C@@H](CCO)c2ccco2)CCCN1c1ccccc1F ZINC000192788074 473726387 /nfs/dbraw/zinc/72/63/87/473726387.db2.gz BNMQCYKVKFCWQO-GJZGRUSLSA-N 1 1 332.375 2.627 40 0 EFABMO CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000246124659 473784550 /nfs/dbraw/zinc/78/45/50/473784550.db2.gz YXZLIXJEDLBQLP-APWZRJJASA-N 1 1 344.499 2.962 40 0 EFABMO Brc1ccc2[nH]c(C[N@H+]3CC[C@]4(CCOC4)C3)nc2c1 ZINC000187153991 473828407 /nfs/dbraw/zinc/82/84/07/473828407.db2.gz NDJHHGKKXMZMCB-HNNXBMFYSA-N 1 1 336.233 2.938 40 0 EFABMO Brc1ccc2nc(C[N@@H+]3CC[C@]4(CCOC4)C3)[nH]c2c1 ZINC000187153991 473828420 /nfs/dbraw/zinc/82/84/20/473828420.db2.gz NDJHHGKKXMZMCB-HNNXBMFYSA-N 1 1 336.233 2.938 40 0 EFABMO Brc1ccc2nc(C[N@H+]3CC[C@]4(CCOC4)C3)[nH]c2c1 ZINC000187153991 473828427 /nfs/dbraw/zinc/82/84/27/473828427.db2.gz NDJHHGKKXMZMCB-HNNXBMFYSA-N 1 1 336.233 2.938 40 0 EFABMO c1c[nH]c([C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)c2cccnc2)n1 ZINC000195048990 473998305 /nfs/dbraw/zinc/99/83/05/473998305.db2.gz WTTFEDYHWBMBPK-ROUUACIJSA-N 1 1 325.460 2.748 40 0 EFABMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000195529647 474088931 /nfs/dbraw/zinc/08/89/31/474088931.db2.gz IBUIPMUHJOCAJP-UXHICEINSA-N 1 1 341.499 2.642 40 0 EFABMO O=C(NCc1ccccc1COCc1ccccc1)[C@H]1CSC[NH2+]1 ZINC000195542294 474091945 /nfs/dbraw/zinc/09/19/45/474091945.db2.gz KEAROWIBUHJDOT-GOSISDBHSA-N 1 1 342.464 2.682 40 0 EFABMO COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1OC(F)F ZINC000195548288 474093103 /nfs/dbraw/zinc/09/31/03/474093103.db2.gz IEZRRDFGHIPARY-KGLIPLIRSA-N 1 1 326.387 2.965 40 0 EFABMO COc1ccc(C(=O)N2CCC[N@@H+](CC3(C)CCOCC3)CC2)cc1 ZINC000195561811 474095522 /nfs/dbraw/zinc/09/55/22/474095522.db2.gz GEGOXCHUEALJET-UHFFFAOYSA-N 1 1 346.471 2.660 40 0 EFABMO COc1ccc(C[NH+]2CCN(C)CC2)cc1NCc1ncccc1C ZINC000195557897 474095769 /nfs/dbraw/zinc/09/57/69/474095769.db2.gz IVGUFMJISKBGHI-UHFFFAOYSA-N 1 1 340.471 2.758 40 0 EFABMO Cn1cc([C@](C)(O)C[NH2+][C@H](c2ccco2)c2ccc(F)cc2)cn1 ZINC000195560698 474096048 /nfs/dbraw/zinc/09/60/48/474096048.db2.gz FAVPJIYKFPUPLQ-ZWKOTPCHSA-N 1 1 329.375 2.739 40 0 EFABMO Cn1cc([C@](C)(O)C[NH2+][C@@H](c2ccco2)c2ccc(F)cc2)cn1 ZINC000195560692 474096431 /nfs/dbraw/zinc/09/64/31/474096431.db2.gz FAVPJIYKFPUPLQ-QZTJIDSGSA-N 1 1 329.375 2.739 40 0 EFABMO CC(C)(C)n1cc(CN2CC[NH+](Cc3ccc(O)cc3)CC2)cn1 ZINC000195575851 474100095 /nfs/dbraw/zinc/10/00/95/474100095.db2.gz SGKGEYIQJIIQKE-UHFFFAOYSA-N 1 1 328.460 2.662 40 0 EFABMO CC(=O)c1ccc(N(C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)nc1 ZINC000195575196 474100954 /nfs/dbraw/zinc/10/09/54/474100954.db2.gz AHORXLNCNMAOGI-UHFFFAOYSA-N 1 1 339.443 2.796 40 0 EFABMO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1)c1ccco1 ZINC000247470294 474154888 /nfs/dbraw/zinc/15/48/88/474154888.db2.gz FCYHZPAMQDFLAJ-ZOBUZTSGSA-N 1 1 346.452 2.751 40 0 EFABMO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccsc1)c1ccco1 ZINC000247470294 474154893 /nfs/dbraw/zinc/15/48/93/474154893.db2.gz FCYHZPAMQDFLAJ-ZOBUZTSGSA-N 1 1 346.452 2.751 40 0 EFABMO O=C(NCC[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21)c1ccsc1 ZINC000247508431 474168619 /nfs/dbraw/zinc/16/86/19/474168619.db2.gz SGKRNTIFPUWXGK-OAHLLOKOSA-N 1 1 330.457 2.674 40 0 EFABMO O=C(NCC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21)c1ccsc1 ZINC000247508431 474168628 /nfs/dbraw/zinc/16/86/28/474168628.db2.gz SGKRNTIFPUWXGK-OAHLLOKOSA-N 1 1 330.457 2.674 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccncc2)n1 ZINC000247816090 474212519 /nfs/dbraw/zinc/21/25/19/474212519.db2.gz BFICGVMMCWLPSY-LZLYRXPVSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccncc2)n1 ZINC000247816090 474212526 /nfs/dbraw/zinc/21/25/26/474212526.db2.gz BFICGVMMCWLPSY-LZLYRXPVSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNc2ncccn2)c1 ZINC000247850399 474217087 /nfs/dbraw/zinc/21/70/87/474217087.db2.gz VFJWLLKCEJOQGG-NUEKZKHPSA-N 1 1 330.457 2.630 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNc2ncccn2)c1 ZINC000247850399 474217094 /nfs/dbraw/zinc/21/70/94/474217094.db2.gz VFJWLLKCEJOQGG-NUEKZKHPSA-N 1 1 330.457 2.630 40 0 EFABMO COc1cccc(C[N@H+]2CC[C@@]3(CCC[C@H]3C(=O)N3CCCC3)C2)n1 ZINC000247894588 474221806 /nfs/dbraw/zinc/22/18/06/474221806.db2.gz CAWRHIMPIGMXPX-PXNSSMCTSA-N 1 1 343.471 2.705 40 0 EFABMO O=C1[C@@H]([NH2+]Cc2cncnc2)CCN1c1ccc(Cl)cc1Cl ZINC000225594010 474227300 /nfs/dbraw/zinc/22/73/00/474227300.db2.gz SVVNZTUCUCQCLL-ZDUSSCGKSA-N 1 1 337.210 2.679 40 0 EFABMO CN(C)C(=O)COCC[C@H]1C[N@H+](Cc2cccs2)Cc2cccn21 ZINC000247944017 474230050 /nfs/dbraw/zinc/23/00/50/474230050.db2.gz AOLDRZRRRRHORP-INIZCTEOSA-N 1 1 347.484 2.601 40 0 EFABMO CN(C)C(=O)COCC[C@H]1C[N@@H+](Cc2cccs2)Cc2cccn21 ZINC000247944017 474230060 /nfs/dbraw/zinc/23/00/60/474230060.db2.gz AOLDRZRRRRHORP-INIZCTEOSA-N 1 1 347.484 2.601 40 0 EFABMO CC(C)[N@H+]1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3ccsc3)CC[C@@H]21 ZINC000247950708 474230933 /nfs/dbraw/zinc/23/09/33/474230933.db2.gz BYVMAJNWEWAQNS-IKGGRYGDSA-N 1 1 335.517 2.623 40 0 EFABMO COC[C@@H]1C[N@H+](CC(C)C)CC12CCN(Cc1cc(C)nn1C)CC2 ZINC000248032241 474247991 /nfs/dbraw/zinc/24/79/91/474247991.db2.gz LNSFBUVWMYTKHY-SFHVURJKSA-N 1 1 348.535 2.545 40 0 EFABMO COC[C@@H]1C[N@@H+](CC(C)C)CC12CCN(Cc1cc(C)nn1C)CC2 ZINC000248032241 474247992 /nfs/dbraw/zinc/24/79/92/474247992.db2.gz LNSFBUVWMYTKHY-SFHVURJKSA-N 1 1 348.535 2.545 40 0 EFABMO Cc1nc(CO[C@@H]2Cn3nccc3C[N@H+](C3CCCC3)C2)cs1 ZINC000248032788 474248423 /nfs/dbraw/zinc/24/84/23/474248423.db2.gz MOHVSRRXCYWAKT-KRWDZBQOSA-N 1 1 332.473 2.992 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](Cn4cccn4)O3)C2)s1 ZINC000248070144 474256423 /nfs/dbraw/zinc/25/64/23/474256423.db2.gz FXMNTOFPJLRWJJ-FUHWJXTLSA-N 1 1 347.484 2.703 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000248100429 474259369 /nfs/dbraw/zinc/25/93/69/474259369.db2.gz DPJLPRZCEGBGCK-CQSZACIVSA-N 1 1 336.863 2.913 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)s1 ZINC000248124363 474262732 /nfs/dbraw/zinc/26/27/32/474262732.db2.gz WLEBBYSTXLBLCK-BHYGNILZSA-N 1 1 345.468 2.905 40 0 EFABMO COc1cccc(NC(=O)CC[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000248133228 474265818 /nfs/dbraw/zinc/26/58/18/474265818.db2.gz LMEYPNLYQCYLRF-KBAYOESNSA-N 1 1 332.444 2.769 40 0 EFABMO CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000248140261 474268843 /nfs/dbraw/zinc/26/88/43/474268843.db2.gz SZDRMCRURFKQDV-HKUYNNGSSA-N 1 1 327.428 2.540 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)CCc3ccccc3C)C2)C1 ZINC000248150578 474270642 /nfs/dbraw/zinc/27/06/42/474270642.db2.gz TXDASFHSKIHIRS-GOSISDBHSA-N 1 1 344.499 2.887 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 ZINC000248154680 474272724 /nfs/dbraw/zinc/27/27/24/474272724.db2.gz YUYIWESOKHMODH-UWWQBHOKSA-N 1 1 327.428 2.980 40 0 EFABMO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc2c(c1)OCCO2 ZINC000189127009 474298996 /nfs/dbraw/zinc/29/89/96/474298996.db2.gz PIMAZUHSZGMQRS-SMDDNHRTSA-N 1 1 329.404 2.581 40 0 EFABMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)nn1 ZINC000283227326 474344059 /nfs/dbraw/zinc/34/40/59/474344059.db2.gz TYUVCSSWBHVCSL-CVEARBPZSA-N 1 1 331.416 2.947 40 0 EFABMO CCc1nnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)s1 ZINC000249115704 474529201 /nfs/dbraw/zinc/52/92/01/474529201.db2.gz YOSOSPQLBLGYPD-OCCSQVGLSA-N 1 1 331.445 2.667 40 0 EFABMO O=S(=O)(c1ccccc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238871977 474542620 /nfs/dbraw/zinc/54/26/20/474542620.db2.gz NCZBKZWCVWHCQF-SFHVURJKSA-N 1 1 342.464 2.508 40 0 EFABMO O=S(=O)(c1ccccc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238871977 474542628 /nfs/dbraw/zinc/54/26/28/474542628.db2.gz NCZBKZWCVWHCQF-SFHVURJKSA-N 1 1 342.464 2.508 40 0 EFABMO COc1ccccc1C(=O)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000238956708 474544239 /nfs/dbraw/zinc/54/42/39/474544239.db2.gz YASJPVIKBUJYKQ-GOSISDBHSA-N 1 1 336.435 2.968 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2)C1 ZINC000245225356 474572710 /nfs/dbraw/zinc/57/27/10/474572710.db2.gz SYBFTQSYUZTMNH-JTDSTZFVSA-N 1 1 330.472 2.960 40 0 EFABMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000245266886 474572756 /nfs/dbraw/zinc/57/27/56/474572756.db2.gz KNUMYPWPQPYLBT-FMKPAKJESA-N 1 1 329.444 2.625 40 0 EFABMO CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339022 474574512 /nfs/dbraw/zinc/57/45/12/474574512.db2.gz PZFORTKNLNTSBE-GOEBONIOSA-N 1 1 334.370 2.642 40 0 EFABMO CC(C)[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245339022 474574519 /nfs/dbraw/zinc/57/45/19/474574519.db2.gz PZFORTKNLNTSBE-GOEBONIOSA-N 1 1 334.370 2.642 40 0 EFABMO CCO[C@H](CCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000245358639 474574650 /nfs/dbraw/zinc/57/46/50/474574650.db2.gz ZZKAAJQENLMIMB-ZWKOTPCHSA-N 1 1 337.508 2.852 40 0 EFABMO C[C@H](NC(=O)CC[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000245339104 474574872 /nfs/dbraw/zinc/57/48/72/474574872.db2.gz QLPDOFARRJGHJC-RGIVZKHGSA-N 1 1 330.472 2.999 40 0 EFABMO OCc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000272281628 474607005 /nfs/dbraw/zinc/60/70/05/474607005.db2.gz FNIGMKZVEKXIQV-UXHICEINSA-N 1 1 327.424 2.503 40 0 EFABMO OCc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000272281628 474607008 /nfs/dbraw/zinc/60/70/08/474607008.db2.gz FNIGMKZVEKXIQV-UXHICEINSA-N 1 1 327.424 2.503 40 0 EFABMO c1csc(C[NH+]2CCN(Cc3ncnn3-c3ccccc3)CC2)c1 ZINC000252483543 474670305 /nfs/dbraw/zinc/67/03/05/474670305.db2.gz FEGIPIXZFSBNOQ-UHFFFAOYSA-N 1 1 339.468 2.647 40 0 EFABMO CC[C@H](COc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252487604 474672739 /nfs/dbraw/zinc/67/27/39/474672739.db2.gz ZJEVVRJGGITSDO-NUJGCVRESA-N 1 1 333.476 2.826 40 0 EFABMO Cc1cc([C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)c2cccnc2)ccc1F ZINC000252495745 474678512 /nfs/dbraw/zinc/67/85/12/474678512.db2.gz OYXGBMXNNYRMSB-FUHWJXTLSA-N 1 1 348.443 2.785 40 0 EFABMO C[C@H]1C[C@H](CNC(=O)NCCC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000252509604 474686782 /nfs/dbraw/zinc/68/67/82/474686782.db2.gz YRHIYRIADNKISI-FUHWJXTLSA-N 1 1 345.487 2.501 40 0 EFABMO C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000252539001 474696759 /nfs/dbraw/zinc/69/67/59/474696759.db2.gz NQUJIBFSHIZXMR-APWZRJJASA-N 1 1 345.487 2.585 40 0 EFABMO CN(C)C(=O)OCC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252586710 474699676 /nfs/dbraw/zinc/69/96/76/474699676.db2.gz RZKOSDXVBAWACS-KBPBESRZSA-N 1 1 346.349 2.511 40 0 EFABMO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000253398467 474737194 /nfs/dbraw/zinc/73/71/94/474737194.db2.gz RAYWELQYFDFJSX-HNNXBMFYSA-N 1 1 346.562 2.552 40 0 EFABMO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2C[N@H+](C3CCC3)CCN21 ZINC000253399549 474737671 /nfs/dbraw/zinc/73/76/71/474737671.db2.gz JRBGXORGKKFTDD-INIZCTEOSA-N 1 1 345.462 2.599 40 0 biogenic,in-vitro EFABMO CN(C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000253417236 474743336 /nfs/dbraw/zinc/74/33/36/474743336.db2.gz AYXOKBVSSCKVIP-ZDUSSCGKSA-N 1 1 348.871 2.583 40 0 EFABMO CN(C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000253417236 474743347 /nfs/dbraw/zinc/74/33/47/474743347.db2.gz AYXOKBVSSCKVIP-ZDUSSCGKSA-N 1 1 348.871 2.583 40 0 EFABMO CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000253417486 474744544 /nfs/dbraw/zinc/74/45/44/474744544.db2.gz CHIKKXWIIYCTHU-MRXNPFEDSA-N 1 1 340.427 2.651 40 0 EFABMO CN(C)c1ncc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cn1 ZINC000253417486 474744553 /nfs/dbraw/zinc/74/45/53/474744553.db2.gz CHIKKXWIIYCTHU-MRXNPFEDSA-N 1 1 340.427 2.651 40 0 EFABMO CSc1cccc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1C ZINC000253417946 474745619 /nfs/dbraw/zinc/74/56/19/474745619.db2.gz PEMLDTJELIYURC-CZUORRHYSA-N 1 1 349.500 2.901 40 0 EFABMO CCc1[nH+]ccn1[C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000253419980 474746727 /nfs/dbraw/zinc/74/67/27/474746727.db2.gz SZPMZKSVTCOUDS-HNNXBMFYSA-N 1 1 326.448 2.677 40 0 EFABMO COCC[C@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccc(C)o1 ZINC000253425615 474750608 /nfs/dbraw/zinc/75/06/08/474750608.db2.gz SJIPTEWWNJLLOH-HOTGVXAUSA-N 1 1 335.448 2.545 40 0 EFABMO Nc1cc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)ccn1 ZINC000253432473 474758453 /nfs/dbraw/zinc/75/84/53/474758453.db2.gz KNJYCDAIHUDZBK-NSHDSACASA-N 1 1 325.338 2.785 40 0 EFABMO Nc1cc(C[N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 ZINC000253432473 474758461 /nfs/dbraw/zinc/75/84/61/474758461.db2.gz KNJYCDAIHUDZBK-NSHDSACASA-N 1 1 325.338 2.785 40 0 EFABMO Nc1cc(C[N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 ZINC000253432473 474758467 /nfs/dbraw/zinc/75/84/67/474758467.db2.gz KNJYCDAIHUDZBK-NSHDSACASA-N 1 1 325.338 2.785 40 0 EFABMO C[C@@H]1CN(Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000253604042 474771363 /nfs/dbraw/zinc/77/13/63/474771363.db2.gz RLUNQUGUQYERAZ-ZNMIVQPWSA-N 1 1 328.460 2.639 40 0 EFABMO c1ccc(COCC[C@H]2CO[C@H]3C[N@@H+](Cc4cccnc4)C[C@@H]23)nc1 ZINC000306123665 474804512 /nfs/dbraw/zinc/80/45/12/474804512.db2.gz ATJBNUCIHGSABF-IHPCNDPISA-N 1 1 339.439 2.530 40 0 EFABMO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@H+]2CC1CC1 ZINC000306128516 474807204 /nfs/dbraw/zinc/80/72/04/474807204.db2.gz HCWSWOIDALXQKT-AYOQOUSVSA-N 1 1 346.515 2.772 40 0 EFABMO Cn1cc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cn1 ZINC000306132750 474808726 /nfs/dbraw/zinc/80/87/26/474808726.db2.gz LQZGHNKFJDDYIA-QZTJIDSGSA-N 1 1 333.439 2.588 40 0 EFABMO Cn1cnc(C[N@@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)c1 ZINC000257281282 474929353 /nfs/dbraw/zinc/92/93/53/474929353.db2.gz OOKMCENYWDVONK-HNNXBMFYSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1cnc(C[N@H+]2CCOC[C@@H](Cc3cccc4occc43)C2)c1 ZINC000257281282 474929361 /nfs/dbraw/zinc/92/93/61/474929361.db2.gz OOKMCENYWDVONK-HNNXBMFYSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1ccnc1-c1nccnc1[C@@H]1CCC[N@@H+]1Cc1cncs1 ZINC000257287272 474932963 /nfs/dbraw/zinc/93/29/63/474932963.db2.gz PPFRABARHQXPSP-ZDUSSCGKSA-N 1 1 326.429 2.671 40 0 EFABMO Cn1ccnc1-c1nccnc1[C@@H]1CCC[N@H+]1Cc1cncs1 ZINC000257287272 474932969 /nfs/dbraw/zinc/93/29/69/474932969.db2.gz PPFRABARHQXPSP-ZDUSSCGKSA-N 1 1 326.429 2.671 40 0 EFABMO Cc1ccncc1C[N@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257289044 474934289 /nfs/dbraw/zinc/93/42/89/474934289.db2.gz PWSWVBWVBLLPTE-INIZCTEOSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1ccc(CN2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)cn1 ZINC000257295268 474938651 /nfs/dbraw/zinc/93/86/51/474938651.db2.gz QXQNBXSPRWIGPB-LJQANCHMSA-N 1 1 340.471 2.685 40 0 EFABMO COc1ccc([C@@H]2C[N@H+](Cc3ncccc3C)CCN2C(C)=O)cc1 ZINC000257301221 474941440 /nfs/dbraw/zinc/94/14/40/474941440.db2.gz RXMOGYHSYCQWFJ-FQEVSTJZSA-N 1 1 339.439 2.804 40 0 EFABMO COc1ccc([C@@H]2C[N@@H+](Cc3ncccc3C)CCN2C(C)=O)cc1 ZINC000257301221 474941454 /nfs/dbraw/zinc/94/14/54/474941454.db2.gz RXMOGYHSYCQWFJ-FQEVSTJZSA-N 1 1 339.439 2.804 40 0 EFABMO c1cc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n[nH]1 ZINC000257301595 474942445 /nfs/dbraw/zinc/94/24/45/474942445.db2.gz RZBNKCQXHJQDKR-OALUTQOASA-N 1 1 327.428 2.750 40 0 EFABMO c1cc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n[nH]1 ZINC000257301595 474942454 /nfs/dbraw/zinc/94/24/54/474942454.db2.gz RZBNKCQXHJQDKR-OALUTQOASA-N 1 1 327.428 2.750 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3cccc(F)c3)C2)n1 ZINC000257305831 474942874 /nfs/dbraw/zinc/94/28/74/474942874.db2.gz SRSYGXXBJNGUKW-RTBURBONSA-N 1 1 330.403 2.933 40 0 EFABMO CC(=O)N(C)Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)n1 ZINC000257302493 474943277 /nfs/dbraw/zinc/94/32/77/474943277.db2.gz SDDMHKOJDZDSSN-IBGZPJMESA-N 1 1 342.418 2.931 40 0 EFABMO CC(=O)N(C)Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000257302493 474943287 /nfs/dbraw/zinc/94/32/87/474943287.db2.gz SDDMHKOJDZDSSN-IBGZPJMESA-N 1 1 342.418 2.931 40 0 EFABMO Cn1ccnc1C[N@@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257319808 474951707 /nfs/dbraw/zinc/95/17/07/474951707.db2.gz VUCLCGANINVJMX-ZWOKBUDYSA-N 1 1 338.455 2.795 40 0 EFABMO Cn1ccnc1C[N@H+]1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257319808 474951715 /nfs/dbraw/zinc/95/17/15/474951715.db2.gz VUCLCGANINVJMX-ZWOKBUDYSA-N 1 1 338.455 2.795 40 0 EFABMO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)[nH+]1 ZINC000257321868 474953277 /nfs/dbraw/zinc/95/32/77/474953277.db2.gz WDPMSVXSQCTPCT-AWEZNQCLSA-N 1 1 349.438 2.962 40 0 EFABMO Cc1c[nH]c(-c2cnc(C[C@H]3CC[N@@H+](Cc4cncs4)C3)cn2)n1 ZINC000257330196 474957249 /nfs/dbraw/zinc/95/72/49/474957249.db2.gz XNHGPYRVVPKERR-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1cc(N(C)C)cc([C@H]2CN(Cc3cnccc3C)CCO2)[nH+]1 ZINC000257331468 474959720 /nfs/dbraw/zinc/95/97/20/474959720.db2.gz XSZSQOFRNZBKJY-LJQANCHMSA-N 1 1 326.444 2.733 40 0 EFABMO CNC(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000257332633 474960183 /nfs/dbraw/zinc/96/01/83/474960183.db2.gz XYBSVWBVGAISAM-NSHDSACASA-N 1 1 330.457 2.783 40 0 EFABMO c1nn2cccnc2c1C[NH+]1CC2(C1)CO[C@H](Cc1ccccc1)C2 ZINC000257336373 474960991 /nfs/dbraw/zinc/96/09/91/474960991.db2.gz YODONTAIOLMLOX-GOSISDBHSA-N 1 1 334.423 2.563 40 0 EFABMO C[N@H+](CCOc1ccccc1)Cc1ccnc([C@H]2CCCOC2)n1 ZINC000257336951 474962060 /nfs/dbraw/zinc/96/20/60/474962060.db2.gz YQTSQALLBXFPHH-INIZCTEOSA-N 1 1 327.428 2.881 40 0 EFABMO C[N@@H+](CCOc1ccccc1)Cc1ccnc([C@H]2CCCOC2)n1 ZINC000257336951 474962068 /nfs/dbraw/zinc/96/20/68/474962068.db2.gz YQTSQALLBXFPHH-INIZCTEOSA-N 1 1 327.428 2.881 40 0 EFABMO Cn1ccnc1-c1cnc([C@@H]2CCC[N@@H+]2Cc2cncs2)cn1 ZINC000257340457 474964237 /nfs/dbraw/zinc/96/42/37/474964237.db2.gz ZGFUEHNVTYFRMR-HNNXBMFYSA-N 1 1 326.429 2.671 40 0 EFABMO Cn1ccnc1-c1cnc([C@@H]2CCC[N@H+]2Cc2cncs2)cn1 ZINC000257340457 474964240 /nfs/dbraw/zinc/96/42/40/474964240.db2.gz ZGFUEHNVTYFRMR-HNNXBMFYSA-N 1 1 326.429 2.671 40 0 EFABMO Cn1cc(CN2CC[N@@H+](C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343296 474965213 /nfs/dbraw/zinc/96/52/13/474965213.db2.gz ZSHSQAYDLQLHFS-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@@H+]2CCN(C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343296 474965218 /nfs/dbraw/zinc/96/52/18/474965218.db2.gz ZSHSQAYDLQLHFS-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@H+]2CCN(C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257343296 474965226 /nfs/dbraw/zinc/96/52/26/474965226.db2.gz ZSHSQAYDLQLHFS-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO CC(C)Oc1ncc(Cl)cc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000332307492 475594899 /nfs/dbraw/zinc/59/48/99/475594899.db2.gz JSYXWIKCJOYNIH-UHFFFAOYSA-N 1 1 326.828 2.692 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(c3nnc(C4CC4)o3)CC2)cc1 ZINC000333413360 475929379 /nfs/dbraw/zinc/92/93/79/475929379.db2.gz GWCPGJIAXWNKCO-UHFFFAOYSA-N 1 1 328.416 2.668 40 0 EFABMO O=C([C@@H]1CCC[C@]12CC[N@@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788344 478846756 /nfs/dbraw/zinc/84/67/56/478846756.db2.gz LIOKTPLQXGBAPI-DOTOQJQBSA-N 1 1 335.398 2.551 40 0 EFABMO Cc1nccc([C@@H]2CCC[N@H+](Cc3nc(N)c4ccccc4n3)C2)n1 ZINC000584906701 479277741 /nfs/dbraw/zinc/27/77/41/479277741.db2.gz HFQVMEGLNJUNAA-CQSZACIVSA-N 1 1 334.427 2.690 40 0 EFABMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3nc(N)c4ccccc4n3)C2)n1 ZINC000584906701 479277745 /nfs/dbraw/zinc/27/77/45/479277745.db2.gz HFQVMEGLNJUNAA-CQSZACIVSA-N 1 1 334.427 2.690 40 0 EFABMO CN(C)C(=O)COCC[C@@H]1Cn2cccc2C[N@@H+](CC2CCCC2)C1 ZINC000585095514 479279486 /nfs/dbraw/zinc/27/94/86/479279486.db2.gz UXQOHPXMWXHQQJ-SFHVURJKSA-N 1 1 347.503 2.605 40 0 EFABMO CCOCC[C@@H]1Cn2cccc2C[N@H+](Cc2cccnc2OC)C1 ZINC000585095527 479280441 /nfs/dbraw/zinc/28/04/41/479280441.db2.gz VGGUOGLYMWJDPT-INIZCTEOSA-N 1 1 329.444 2.950 40 0 EFABMO CCOCC[C@@H]1Cn2cccc2C[N@@H+](Cc2cccnc2OC)C1 ZINC000585095527 479280446 /nfs/dbraw/zinc/28/04/46/479280446.db2.gz VGGUOGLYMWJDPT-INIZCTEOSA-N 1 1 329.444 2.950 40 0 EFABMO OCc1ccc(C[N@@H+]2Cc3ccnn3CC[C@H]2COCC2CC2)cc1 ZINC000585098086 479280918 /nfs/dbraw/zinc/28/09/18/479280918.db2.gz TYZCGTUXLGGORR-FQEVSTJZSA-N 1 1 341.455 2.577 40 0 EFABMO OCc1ccc(C[N@H+]2Cc3ccnn3CC[C@H]2COCC2CC2)cc1 ZINC000585098086 479280924 /nfs/dbraw/zinc/28/09/24/479280924.db2.gz TYZCGTUXLGGORR-FQEVSTJZSA-N 1 1 341.455 2.577 40 0 EFABMO c1cncc(CO[C@@H]2CSC3(C[NH+](Cc4cccnc4)C3)C2)c1 ZINC000585105304 479286485 /nfs/dbraw/zinc/28/64/85/479286485.db2.gz SQDUHVUJHWVOHF-KRWDZBQOSA-N 1 1 327.453 2.753 40 0 EFABMO CC[C@H](C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109730 479286934 /nfs/dbraw/zinc/28/69/34/479286934.db2.gz MJGBJUAWEMFZMO-CMWZQWETSA-N 1 1 342.483 2.690 40 0 EFABMO NC(=O)c1cc(C[C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000585182529 479304130 /nfs/dbraw/zinc/30/41/30/479304130.db2.gz DZYLPCPPRDXNAI-AWEZNQCLSA-N 1 1 349.438 2.512 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@@](O)(COc3ccccc3C)C2)[nH]1 ZINC000585277661 479305977 /nfs/dbraw/zinc/30/59/77/479305977.db2.gz NUEOXGRJPLYJGD-IBGZPJMESA-N 1 1 329.444 2.605 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@](O)(COc3cccc(C)c3)C2)[nH]1 ZINC000585277845 479307463 /nfs/dbraw/zinc/30/74/63/479307463.db2.gz QAZZUKPHORINDD-LJQANCHMSA-N 1 1 329.444 2.605 40 0 EFABMO Cc1cc(OC[C@]2(O)COCC[N@H+](C3CCCCC3)C2)ccc1F ZINC000585284611 479307753 /nfs/dbraw/zinc/30/77/53/479307753.db2.gz YQLISZCCWSOUJT-LJQANCHMSA-N 1 1 337.435 2.909 40 0 EFABMO Cc1ocnc1C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1Cc1cccc(F)c1 ZINC000585280772 479307836 /nfs/dbraw/zinc/30/78/36/479307836.db2.gz OQSHAUOKJFYVDT-HOTGVXAUSA-N 1 1 331.391 2.557 40 0 EFABMO Cc1ocnc1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1Cc1cccc(F)c1 ZINC000585280772 479307840 /nfs/dbraw/zinc/30/78/40/479307840.db2.gz OQSHAUOKJFYVDT-HOTGVXAUSA-N 1 1 331.391 2.557 40 0 EFABMO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@H+](C3CCCC3)CC[C@@H]2O)c1 ZINC000585285096 479308411 /nfs/dbraw/zinc/30/84/11/479308411.db2.gz CJMSPTNTHJKMPH-PMACEKPBSA-N 1 1 333.472 2.731 40 0 EFABMO C[N@H+](CCN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)C1CCCC1 ZINC000585288985 479309583 /nfs/dbraw/zinc/30/95/83/479309583.db2.gz MBOPDYMNIAJQQX-XUVXKRRUSA-N 1 1 332.488 2.811 40 0 EFABMO C[N@@H+](CCN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O)C1CCCC1 ZINC000585288985 479309586 /nfs/dbraw/zinc/30/95/86/479309586.db2.gz MBOPDYMNIAJQQX-XUVXKRRUSA-N 1 1 332.488 2.811 40 0 EFABMO CCn1nccc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288825 479310156 /nfs/dbraw/zinc/31/01/56/479310156.db2.gz JWYWQSVNZORCGR-IPMKNSEASA-N 1 1 329.444 2.696 40 0 EFABMO Nc1n[nH]c(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000647932729 481191493 /nfs/dbraw/zinc/19/14/93/481191493.db2.gz NXDFJPQDMKBYIQ-UHFFFAOYSA-N 1 1 326.231 3.073 40 0 EFABMO COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000181944988 534158001 /nfs/dbraw/zinc/15/80/01/534158001.db2.gz XLLFDXPJPUZXQN-ZDUSSCGKSA-N 1 1 348.834 2.630 40 0 EFABMO COC(=O)c1coc(C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000184077114 534313755 /nfs/dbraw/zinc/31/37/55/534313755.db2.gz VUVNRSWAUBYZLZ-OAHLLOKOSA-N 1 1 340.379 2.691 40 0 EFABMO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(F)cn1)CC2 ZINC000183546123 534702476 /nfs/dbraw/zinc/70/24/76/534702476.db2.gz HSDXDUXHIHCHGH-LPHOPBHVSA-N 1 1 337.402 2.815 40 0 EFABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2Br)C1 ZINC000017245396 524231442 /nfs/dbraw/zinc/23/14/42/524231442.db2.gz HRWPKBAYEVQBLV-CHWSQXEVSA-N 1 1 328.250 2.921 40 0 EFABMO CCCn1cc(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)cn1 ZINC000257235963 535610333 /nfs/dbraw/zinc/61/03/33/535610333.db2.gz HAHBXEGGMZUKHE-RTBURBONSA-N 1 1 329.444 2.697 40 0 EFABMO CNc1cnc(C[C@H]2CCC[N@@H+](Cc3ncccc3F)CC2)cn1 ZINC000257232216 536421591 /nfs/dbraw/zinc/42/15/91/536421591.db2.gz GJWGELBIHBCDCF-AWEZNQCLSA-N 1 1 329.423 2.897 40 0 EFABMO CNc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2OC)n1 ZINC000257219322 536421737 /nfs/dbraw/zinc/42/17/37/536421737.db2.gz DGJZQBKEGQXYME-MRXNPFEDSA-N 1 1 328.416 2.873 40 0 EFABMO CNc1cncc([C@H]2CCC[N@H+]2Cc2ccc(OC)cc2OC)n1 ZINC000257219322 536421739 /nfs/dbraw/zinc/42/17/39/536421739.db2.gz DGJZQBKEGQXYME-MRXNPFEDSA-N 1 1 328.416 2.873 40 0 EFABMO CO[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@]12CCCO2 ZINC000257277179 536767634 /nfs/dbraw/zinc/76/76/34/536767634.db2.gz NWTLLBCCWLHOSG-HKUYNNGSSA-N 1 1 325.412 2.523 40 0 EFABMO COC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289794 536826924 /nfs/dbraw/zinc/82/69/24/536826924.db2.gz FEPMXSHENAYPHZ-RBOXIYTFSA-N 1 1 342.842 2.871 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000225400514 545562034 /nfs/dbraw/zinc/56/20/34/545562034.db2.gz IMCJYWXVQLNASZ-UHFFFAOYSA-N 1 1 349.390 2.882 40 0 EFABMO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)C1 ZINC000252500625 564119791 /nfs/dbraw/zinc/11/97/91/564119791.db2.gz SZLULNDEEXMDIB-AEFFLSMTSA-N 1 1 342.418 2.704 40 0 EFABMO Cc1cc(NC(=O)[C@@H]2C[N@H+](C)[C@H]3c4ccccc4OC[C@H]32)sn1 ZINC001772595953 1249168694 /nfs/dbraw/zinc/16/86/94/1249168694.db2.gz VIQJMVQDYFSUQS-WWGRRREGSA-N 1 1 329.425 2.702 40 0 EFABMO CCC[N@@H+]1C[C@H](CS(C)(=O)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000044075084 1100255609 /nfs/dbraw/zinc/25/56/09/1100255609.db2.gz BRFHHAXHZFOBNY-SKDZVZGDSA-N 1 1 346.496 2.953 40 0 EFABMO CCC[N@H+]1C[C@H](CS(C)(=O)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000044075084 1100255613 /nfs/dbraw/zinc/25/56/13/1100255613.db2.gz BRFHHAXHZFOBNY-SKDZVZGDSA-N 1 1 346.496 2.953 40 0 EFABMO COCc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174906012 231340625 /nfs/dbraw/zinc/34/06/25/231340625.db2.gz LTPAVHHDQDSJGU-AYHJJNSGSA-N 1 1 331.460 2.648 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@H]2C[C@@H](c3ccnc(C)n3)O[C@@H]2C1 ZINC000097953908 219064578 /nfs/dbraw/zinc/06/45/78/219064578.db2.gz QAAXPPHCUILQLB-CWRNSKLLSA-N 1 1 330.457 2.902 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000097953795 219065313 /nfs/dbraw/zinc/06/53/13/219065313.db2.gz WMEFHDBQESZBKI-LMMKCTJWSA-N 1 1 325.412 2.596 40 0 EFABMO C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000004279506 210159633 /nfs/dbraw/zinc/15/96/33/210159633.db2.gz XOOKMKTWIXOUPA-OCCSQVGLSA-N 1 1 328.250 2.921 40 0 EFABMO C[N@@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@H](c2ccccc2)C1 ZINC000066234588 215025193 /nfs/dbraw/zinc/02/51/93/215025193.db2.gz DAEHSMWHKNUKHG-IBGZPJMESA-N 1 1 339.439 2.633 40 0 EFABMO C[N@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@H](c2ccccc2)C1 ZINC000066234588 215025195 /nfs/dbraw/zinc/02/51/95/215025195.db2.gz DAEHSMWHKNUKHG-IBGZPJMESA-N 1 1 339.439 2.633 40 0 EFABMO COc1ccccc1S(=O)(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000102697566 219223603 /nfs/dbraw/zinc/22/36/03/219223603.db2.gz RJYVZNPLAJYFJD-UHFFFAOYSA-N 1 1 329.381 2.886 40 0 EFABMO C[NH+]1CCN(C(=O)c2cccc3c(Br)cccc23)CC1 ZINC000041127291 213420834 /nfs/dbraw/zinc/42/08/34/213420834.db2.gz HLAROUZBKAFPKJ-UHFFFAOYSA-N 1 1 333.229 2.990 40 0 EFABMO O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040464618 213308104 /nfs/dbraw/zinc/30/81/04/213308104.db2.gz MQRHMFSVQILKSB-KRWDZBQOSA-N 1 1 348.450 2.886 40 0 EFABMO COC(=O)c1ccc(C[NH+]2CCCC2)c(I)c1 ZINC000039951815 213243464 /nfs/dbraw/zinc/24/34/64/213243464.db2.gz UOJAHYKURPKSQU-UHFFFAOYSA-N 1 1 345.180 2.674 40 0 EFABMO COCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832990 213227316 /nfs/dbraw/zinc/22/73/16/213227316.db2.gz FXEFTSGJURLEBR-GFCCVEGCSA-N 1 1 345.270 2.968 40 0 EFABMO COCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832990 213227314 /nfs/dbraw/zinc/22/73/14/213227314.db2.gz FXEFTSGJURLEBR-GFCCVEGCSA-N 1 1 345.270 2.968 40 0 EFABMO Cc1nc(NCCNC(=O)Nc2ccccc2)cc(N2CCCC2)[nH+]1 ZINC000036708088 213112622 /nfs/dbraw/zinc/11/26/22/213112622.db2.gz NEGLDPPBYPZJGX-UHFFFAOYSA-N 1 1 340.431 2.619 40 0 EFABMO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cn1 ZINC000035426273 213027289 /nfs/dbraw/zinc/02/72/89/213027289.db2.gz GHULYHXGQFMGIV-HNNXBMFYSA-N 1 1 343.431 2.514 40 0 biogenic,in-vitro EFABMO COCCNc1cc(-c2noc([C@@H]3CCC[N@H+]3CC(C)C)n2)ccn1 ZINC000035424553 213027047 /nfs/dbraw/zinc/02/70/47/213027047.db2.gz FYMVXZAURPHIGA-HNNXBMFYSA-N 1 1 345.447 2.983 40 0 biogenic,in-vitro EFABMO O[C@H]1CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@H]12 ZINC000035360877 213023727 /nfs/dbraw/zinc/02/37/27/213023727.db2.gz UYCRVAISBCXPHX-UBHSHLNASA-N 1 1 348.834 2.910 40 0 EFABMO O[C@@H]1CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@H]12 ZINC000035360880 213023420 /nfs/dbraw/zinc/02/34/20/213023420.db2.gz UYCRVAISBCXPHX-FPMFFAJLSA-N 1 1 348.834 2.910 40 0 EFABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3C3CCC3)n2)c1 ZINC000035425139 213027720 /nfs/dbraw/zinc/02/77/20/213027720.db2.gz FTWFTDQMUYPZBR-INIZCTEOSA-N 1 1 344.415 2.846 40 0 biogenic,in-vitro EFABMO Cc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1C[C@@H]1CCCO1 ZINC000072324528 216151006 /nfs/dbraw/zinc/15/10/06/216151006.db2.gz GHPVEBCLVHQZML-VDGAXYAQSA-N 1 1 331.504 2.952 40 0 EFABMO Cc1cc(Nc2ncccn2)nc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360059 216166298 /nfs/dbraw/zinc/16/62/98/216166298.db2.gz SCSKRRIZBGPHDC-HNNXBMFYSA-N 1 1 340.431 2.635 40 0 EFABMO c1ccc(Nc2nccnc2[C@H]2CCC[N@H+]2C2CCOCC2)nc1 ZINC000072363639 216169795 /nfs/dbraw/zinc/16/97/95/216169795.db2.gz FRMYPSHFDLBDSV-OAHLLOKOSA-N 1 1 325.416 2.931 40 0 EFABMO Cc1cc(C(=O)N(C)C2CCCCC2)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072365778 216172179 /nfs/dbraw/zinc/17/21/79/216172179.db2.gz MMOZNROFAHIUEI-HNNXBMFYSA-N 1 1 330.476 2.999 40 0 EFABMO COCC[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000072376815 216178705 /nfs/dbraw/zinc/17/87/05/216178705.db2.gz PNGAKSNHOCMZSK-KRWDZBQOSA-N 1 1 326.444 2.993 40 0 EFABMO Cc1nc(C(=O)N2CCC[C@@H]2c2cccc(-n3cc[nH+]c3C)n2)co1 ZINC000072378834 216180252 /nfs/dbraw/zinc/18/02/52/216180252.db2.gz DPGPCYMUSAENSQ-MRXNPFEDSA-N 1 1 337.383 2.849 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378625 216181472 /nfs/dbraw/zinc/18/14/72/216181472.db2.gz DGHXDWGMQROOIN-QGZVFWFLSA-N 1 1 334.427 2.957 40 0 EFABMO CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378625 216181475 /nfs/dbraw/zinc/18/14/75/216181475.db2.gz DGHXDWGMQROOIN-QGZVFWFLSA-N 1 1 334.427 2.957 40 0 EFABMO Cc1csc(Nc2cc([C@@H]3CCCC[N@H+]3CCO)nc(C)n2)n1 ZINC000072382636 216183117 /nfs/dbraw/zinc/18/31/17/216183117.db2.gz PKZMPZQVJHTTSU-AWEZNQCLSA-N 1 1 333.461 2.813 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccoc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392937 216190706 /nfs/dbraw/zinc/19/07/06/216190706.db2.gz FYPICXCXTQULML-INIZCTEOSA-N 1 1 336.395 2.805 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393210 216192951 /nfs/dbraw/zinc/19/29/51/216192951.db2.gz HCWZKOBMWXMOKV-MRXNPFEDSA-N 1 1 347.422 2.607 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393220 216192981 /nfs/dbraw/zinc/19/29/81/216192981.db2.gz QJZONFKRTCTAPL-HNNXBMFYSA-N 1 1 347.422 2.607 40 0 EFABMO Cc1ccccc1C[N@H+]1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000072395564 216193048 /nfs/dbraw/zinc/19/30/48/216193048.db2.gz LBTNKAGZEWMHFG-NQIIRXRSSA-N 1 1 334.419 2.812 40 0 EFABMO C[C@H]1CN(Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000072394694 216193155 /nfs/dbraw/zinc/19/31/55/216193155.db2.gz RKNINMNFKNFZLA-KBPBESRZSA-N 1 1 328.460 2.639 40 0 EFABMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000193934483 240368866 /nfs/dbraw/zinc/36/88/66/240368866.db2.gz NSVHQBTWIOUPCN-UHFFFAOYSA-N 1 1 344.908 2.894 40 0 EFABMO O=c1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)nc2ccccn12 ZINC000072867376 216323200 /nfs/dbraw/zinc/32/32/00/216323200.db2.gz VEOCNSWWVMSCTL-OALUTQOASA-N 1 1 349.434 2.783 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108534811 219902258 /nfs/dbraw/zinc/90/22/58/219902258.db2.gz DMIYSAKEXNHGTC-CRAIPNDOSA-N 1 1 333.501 2.970 40 0 EFABMO FC(F)(F)c1nnc(N2CCC[N@@H+](Cc3cc[nH]c3)CC2)s1 ZINC000191686504 239250003 /nfs/dbraw/zinc/25/00/03/239250003.db2.gz TXVUXZVPBFMJKQ-UHFFFAOYSA-N 1 1 331.367 2.597 40 0 EFABMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)o1)c1ccco1 ZINC000022858475 212329607 /nfs/dbraw/zinc/32/96/07/212329607.db2.gz NMIYGOGTEFYCKY-VIFPVBQESA-N 1 1 327.178 2.668 40 0 EFABMO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cccs2)CC1 ZINC000022784125 212323640 /nfs/dbraw/zinc/32/36/40/212323640.db2.gz PSRURPCQHDXAQC-UHFFFAOYSA-N 1 1 345.468 2.513 40 0 EFABMO CC(=O)c1ccc(NC(=O)CNC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000022030010 212272639 /nfs/dbraw/zinc/27/26/39/212272639.db2.gz GUJKJEIBMNQZDX-LJQANCHMSA-N 1 1 339.439 2.720 40 0 EFABMO C[C@H](C(=O)NC1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021822301 212254344 /nfs/dbraw/zinc/25/43/44/212254344.db2.gz FKFYCVUVISLQNP-QGZVFWFLSA-N 1 1 329.488 2.642 40 0 EFABMO Oc1ccc(Br)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000230181821 242244454 /nfs/dbraw/zinc/24/44/54/242244454.db2.gz WHGWAUVUKDLTFP-KGLIPLIRSA-N 1 1 344.274 2.861 40 0 EFABMO Oc1ccc(Br)c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000230181821 242244459 /nfs/dbraw/zinc/24/44/59/242244459.db2.gz WHGWAUVUKDLTFP-KGLIPLIRSA-N 1 1 344.274 2.861 40 0 EFABMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302070 243014190 /nfs/dbraw/zinc/01/41/90/243014190.db2.gz YPHVWFDQBHHXSO-IAGOWNOFSA-N 1 1 340.423 2.522 40 0 EFABMO C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000245339121 243104691 /nfs/dbraw/zinc/10/46/91/243104691.db2.gz QOTLJDDOOGQCBJ-NHYWBVRUSA-N 1 1 326.799 2.553 40 0 EFABMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490340 243795513 /nfs/dbraw/zinc/79/55/13/243795513.db2.gz KPYJNTFBBJAAGH-HRCADAONSA-N 1 1 331.522 2.727 40 0 EFABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3ccc4[nH]cnc4c3)C2)[nH+]1 ZINC000257206330 244137046 /nfs/dbraw/zinc/13/70/46/244137046.db2.gz BCXBLQKSSDYQJN-OAHLLOKOSA-N 1 1 335.411 2.665 40 0 EFABMO CC(C)n1nccc1C[N@@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257200608 244117985 /nfs/dbraw/zinc/11/79/85/244117985.db2.gz AEANBCLVTKORAP-RTBURBONSA-N 1 1 329.444 2.868 40 0 EFABMO CC(C)n1nccc1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257200608 244117988 /nfs/dbraw/zinc/11/79/88/244117988.db2.gz AEANBCLVTKORAP-RTBURBONSA-N 1 1 329.444 2.868 40 0 EFABMO CCCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1 ZINC000257200443 244118076 /nfs/dbraw/zinc/11/80/76/244118076.db2.gz ADIOQAYEIDRSPX-IBGZPJMESA-N 1 1 341.459 2.661 40 0 EFABMO CCCn1cc(C[N@H+]2CCC[C@H]2c2cccc(CNC(C)=O)n2)cn1 ZINC000257200443 244118079 /nfs/dbraw/zinc/11/80/79/244118079.db2.gz ADIOQAYEIDRSPX-IBGZPJMESA-N 1 1 341.459 2.661 40 0 EFABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000257209602 244147620 /nfs/dbraw/zinc/14/76/20/244147620.db2.gz BRAJEDKGWRGWNU-UHFFFAOYSA-N 1 1 347.422 2.991 40 0 EFABMO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C)s2)n1 ZINC000257223614 244191946 /nfs/dbraw/zinc/19/19/46/244191946.db2.gz DYCSGQMRBYVQRV-KRWDZBQOSA-N 1 1 330.457 2.820 40 0 EFABMO c1cc(C[N@H+]2CCC[C@@H](Cc3cc(Nc4ccccn4)ncn3)C2)n[nH]1 ZINC000257227258 244204967 /nfs/dbraw/zinc/20/49/67/244204967.db2.gz FOJDAABIEPTCOO-HNNXBMFYSA-N 1 1 349.442 2.793 40 0 EFABMO c1cc(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4ccccn4)ncn3)C2)n[nH]1 ZINC000257227258 244204969 /nfs/dbraw/zinc/20/49/69/244204969.db2.gz FOJDAABIEPTCOO-HNNXBMFYSA-N 1 1 349.442 2.793 40 0 EFABMO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257235924 244229695 /nfs/dbraw/zinc/22/96/95/244229695.db2.gz HACFBNAMRYWXFM-MRXNPFEDSA-N 1 1 334.427 2.950 40 0 EFABMO CN(C)c1cc(CC[C@H]2CN(C(=O)c3ccccc3)CCO2)cc[nH+]1 ZINC000257240787 244241010 /nfs/dbraw/zinc/24/10/10/244241010.db2.gz HVFKRGYKKGFVAP-SFHVURJKSA-N 1 1 339.439 2.621 40 0 EFABMO O[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1Oc1ccccc1 ZINC000257240862 244242412 /nfs/dbraw/zinc/24/24/12/244242412.db2.gz HVMKAOVNTWFERX-WOJBJXKFSA-N 1 1 347.418 2.768 40 0 EFABMO O[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1Oc1ccccc1 ZINC000257240862 244242418 /nfs/dbraw/zinc/24/24/18/244242418.db2.gz HVMKAOVNTWFERX-WOJBJXKFSA-N 1 1 347.418 2.768 40 0 EFABMO CO[C@@H]1C[N@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@@]12CCCO2 ZINC000257242003 244244831 /nfs/dbraw/zinc/24/48/31/244244831.db2.gz IAPJBPLBAPGYLM-MJGOQNOKSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)ccc2C)CC[C@@]12CCCO2 ZINC000257242003 244244835 /nfs/dbraw/zinc/24/48/35/244244835.db2.gz IAPJBPLBAPGYLM-MJGOQNOKSA-N 1 1 332.444 2.512 40 0 EFABMO C[N@H+]1CCN(Cc2c[nH]cn2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257242890 244247506 /nfs/dbraw/zinc/24/75/06/244247506.db2.gz IEPXOBNOOPWWBC-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@@H+]1CCN(Cc2cnc[nH]2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257242890 244247512 /nfs/dbraw/zinc/24/75/12/244247512.db2.gz IEPXOBNOOPWWBC-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@H+]1CCN(Cc2cnc[nH]2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257242890 244247516 /nfs/dbraw/zinc/24/75/16/244247516.db2.gz IEPXOBNOOPWWBC-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO C[N@H+]1CCCN(C(=O)c2ccc(Cc3ccccc3F)nc2)CC1 ZINC000257260138 244293995 /nfs/dbraw/zinc/29/39/95/244293995.db2.gz LBLKZAVBNBPHDI-UHFFFAOYSA-N 1 1 327.403 2.589 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@H](O)[C@@H](Oc3ccccc3F)CC2)n1 ZINC000257247163 244261653 /nfs/dbraw/zinc/26/16/53/244261653.db2.gz IXSWPCVFSXMTLX-HKUYNNGSSA-N 1 1 330.403 2.933 40 0 EFABMO Cc1nc([C@@H]2CCCC[NH2+]2)nc2c1CC(=O)N2CCc1ccccc1 ZINC000257249217 244267066 /nfs/dbraw/zinc/26/70/66/244267066.db2.gz JHHYSVFNMXGUFA-KRWDZBQOSA-N 1 1 336.439 2.731 40 0 EFABMO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCOC[C@H](Cc2ccncn2)C1 ZINC000257252502 244272705 /nfs/dbraw/zinc/27/27/05/244272705.db2.gz JVABTMGJBGGSJT-MRXNPFEDSA-N 1 1 349.438 2.558 40 0 EFABMO CN(C)c1nc([C@]2(C)CCC[N@H+](C3CCOCC3)C2)cn2cccc12 ZINC000257254090 244276349 /nfs/dbraw/zinc/27/63/49/244276349.db2.gz KBNRAMGKWDQJLB-HXUWFJFHSA-N 1 1 342.487 2.933 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cs1 ZINC000257257357 244285439 /nfs/dbraw/zinc/28/54/39/244285439.db2.gz KPFADRSSGDUWOC-AWEZNQCLSA-N 1 1 340.456 2.807 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cs1 ZINC000257257357 244285445 /nfs/dbraw/zinc/28/54/45/244285445.db2.gz KPFADRSSGDUWOC-AWEZNQCLSA-N 1 1 340.456 2.807 40 0 EFABMO COc1cc(CN2CCO[C@@H](c3cc(N)cc(C)[nH+]3)C2)ccc1F ZINC000257270661 244377368 /nfs/dbraw/zinc/37/73/68/244377368.db2.gz MVDPMWBMRCJCNZ-GOSISDBHSA-N 1 1 331.391 2.693 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000257260621 244347009 /nfs/dbraw/zinc/34/70/09/244347009.db2.gz LDQQEHAKBPCCLO-ZDUSSCGKSA-N 1 1 332.835 2.754 40 0 EFABMO Cc1ccsc1C[N@@H+]1CCOC[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257262553 244350841 /nfs/dbraw/zinc/35/08/41/244350841.db2.gz LLWYDCCUPAUKGJ-HNNXBMFYSA-N 1 1 346.500 2.604 40 0 EFABMO Cc1nc(N(C)C)cc(CC2CCN(C(=O)C3CCCC3)CC2)[nH+]1 ZINC000019758484 212062132 /nfs/dbraw/zinc/06/21/32/212062132.db2.gz CFVLSGVFRNKQRR-UHFFFAOYSA-N 1 1 330.476 2.822 40 0 EFABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019750424 212062043 /nfs/dbraw/zinc/06/20/43/212062043.db2.gz PLUKBUGEFCXILB-OAHLLOKOSA-N 1 1 326.444 2.523 40 0 EFABMO Cn1nc2c(c1C(=O)N1CCC([C@@H]3CCCC[N@H+]3C)CC1)CCCC2 ZINC000019747009 212061339 /nfs/dbraw/zinc/06/13/39/212061339.db2.gz PNPUFNPCHCSIEJ-SFHVURJKSA-N 1 1 344.503 2.635 40 0 EFABMO O=C(NCCc1ccccc1)[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747902 212061416 /nfs/dbraw/zinc/06/14/16/212061416.db2.gz SFGPLRFWEHUWJK-QGZVFWFLSA-N 1 1 348.450 2.744 40 0 EFABMO O=C(NCCc1ccccc1)[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747902 212061419 /nfs/dbraw/zinc/06/14/19/212061419.db2.gz SFGPLRFWEHUWJK-QGZVFWFLSA-N 1 1 348.450 2.744 40 0 EFABMO O=C(NCCc1ccccc1)[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747903 212061180 /nfs/dbraw/zinc/06/11/80/212061180.db2.gz SFGPLRFWEHUWJK-KRWDZBQOSA-N 1 1 348.450 2.744 40 0 EFABMO O=C(NCCc1ccccc1)[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019747903 212061182 /nfs/dbraw/zinc/06/11/82/212061182.db2.gz SFGPLRFWEHUWJK-KRWDZBQOSA-N 1 1 348.450 2.744 40 0 EFABMO Cn1nc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)cc1C[NH+](C)C ZINC000019710219 212056853 /nfs/dbraw/zinc/05/68/53/212056853.db2.gz IMNBFDDDBUODTR-HNNXBMFYSA-N 1 1 330.476 2.544 40 0 EFABMO COCc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2C(=O)N3)o1 ZINC000019594486 212050758 /nfs/dbraw/zinc/05/07/58/212050758.db2.gz RYBAJYSSPMHRLT-HXUWFJFHSA-N 1 1 340.423 2.747 40 0 EFABMO CN(C)C(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C)C1 ZINC000019588500 212048996 /nfs/dbraw/zinc/04/89/96/212048996.db2.gz WEJXMVOAVXNHRI-LJQANCHMSA-N 1 1 327.428 2.684 40 0 EFABMO CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000019529374 212039064 /nfs/dbraw/zinc/03/90/64/212039064.db2.gz TWRAKZUKYZQQCU-OALUTQOASA-N 1 1 336.435 2.754 40 0 EFABMO CCc1cc(CNC(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)on1 ZINC000019522796 212036708 /nfs/dbraw/zinc/03/67/08/212036708.db2.gz OISDVVZYRLJMPJ-UHFFFAOYSA-N 1 1 333.819 2.639 40 0 EFABMO CCc1cc(=O)[nH]c([C@H]2CCC[N@@H+](Cc3ccccc3OC)C2)n1 ZINC000019522517 212036186 /nfs/dbraw/zinc/03/61/86/212036186.db2.gz KGMHPOAKDQRLFT-HNNXBMFYSA-N 1 1 327.428 2.721 40 0 EFABMO COc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)ccc1OCC(N)=O ZINC000019498357 212032217 /nfs/dbraw/zinc/03/22/17/212032217.db2.gz KFDZNDHDQIFBOM-LBPRGKRZSA-N 1 1 346.452 2.740 40 0 EFABMO COc1cc(C[N@H+]2CCc3sccc3[C@@H]2C)ccc1OCC(N)=O ZINC000019498357 212032220 /nfs/dbraw/zinc/03/22/20/212032220.db2.gz KFDZNDHDQIFBOM-LBPRGKRZSA-N 1 1 346.452 2.740 40 0 EFABMO C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000019457346 212030319 /nfs/dbraw/zinc/03/03/19/212030319.db2.gz NDUUCVHGSTZLEH-WMLDXEAASA-N 1 1 346.862 2.688 40 0 EFABMO C[C@@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000019457346 212030322 /nfs/dbraw/zinc/03/03/22/212030322.db2.gz NDUUCVHGSTZLEH-WMLDXEAASA-N 1 1 346.862 2.688 40 0 EFABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccn1-c1ccccc1F ZINC000019368481 212023015 /nfs/dbraw/zinc/02/30/15/212023015.db2.gz CWJOIYNGCMPPAY-IRXDYDNUSA-N 1 1 343.446 2.647 40 0 EFABMO c1ccc(CC[N@H+]2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019371319 212022957 /nfs/dbraw/zinc/02/29/57/212022957.db2.gz BFXMYCRQNVCWFB-GOSISDBHSA-N 1 1 348.454 2.690 40 0 EFABMO O=c1cc(-c2cccnc2)nc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)[nH]1 ZINC000019340264 212018560 /nfs/dbraw/zinc/01/85/60/212018560.db2.gz PVYXRRYJPXUYOO-KRWDZBQOSA-N 1 1 347.422 2.607 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)n2c(n1)CCC2 ZINC000019292893 212013326 /nfs/dbraw/zinc/01/33/26/212013326.db2.gz NGASSBVANIMHSZ-AWEZNQCLSA-N 1 1 345.393 2.847 40 0 EFABMO O=c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)n2c(n1)CCC2 ZINC000019292893 212013328 /nfs/dbraw/zinc/01/33/28/212013328.db2.gz NGASSBVANIMHSZ-AWEZNQCLSA-N 1 1 345.393 2.847 40 0 EFABMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccncc3)c2)C[C@@H](C)O1 ZINC000078153345 217026336 /nfs/dbraw/zinc/02/63/36/217026336.db2.gz PEQYFHLYWDYAOH-HUUCEWRRSA-N 1 1 325.412 2.943 40 0 EFABMO Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(Cl)cc1 ZINC000019286353 212010727 /nfs/dbraw/zinc/01/07/27/212010727.db2.gz SUNSSIBFRXCURX-CABCVRRESA-N 1 1 329.831 2.864 40 0 EFABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cccc(C)n4)C3)cc(N)n2n1 ZINC000019236225 212006875 /nfs/dbraw/zinc/00/68/75/212006875.db2.gz FTPRYAHYQOTPDT-HNNXBMFYSA-N 1 1 336.443 2.703 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)C1(c2ccc(C)cc2)CCOCC1 ZINC000019208620 212004737 /nfs/dbraw/zinc/00/47/37/212004737.db2.gz IHFDQDDOWGWRHV-UHFFFAOYSA-N 1 1 341.455 2.755 40 0 EFABMO CC(C)COC(=O)C[C@H](c1ccccc1)[C@@H]([NH3+])C(=O)OCC(C)C ZINC000019203225 212004654 /nfs/dbraw/zinc/00/46/54/212004654.db2.gz MXXHKDCAFSLHRH-SJLPKXTDSA-N 1 1 335.444 2.886 40 0 EFABMO Cc1cc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)ccc1F ZINC000078552419 217073398 /nfs/dbraw/zinc/07/33/98/217073398.db2.gz WYWDVXNGUMZFOZ-UHFFFAOYSA-N 1 1 328.435 2.571 40 0 EFABMO C[C@@H](c1ccc(NS(=O)(=O)c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000078986303 217164876 /nfs/dbraw/zinc/16/48/76/217164876.db2.gz BRMQNCHOUFYTBQ-HNNXBMFYSA-N 1 1 346.452 2.881 40 0 EFABMO COCC[N@H+]1CCCN(C(=O)c2oc3c(cccc3OC)c2C)CC1 ZINC000079338359 217211490 /nfs/dbraw/zinc/21/14/90/217211490.db2.gz HWCHUVMWTHQONN-UHFFFAOYSA-N 1 1 346.427 2.544 40 0 EFABMO COC(=O)CC[N@H+](Cc1cccc2cccnc21)C[C@H]1CCCO1 ZINC000079354512 217213350 /nfs/dbraw/zinc/21/33/50/217213350.db2.gz MLGSLMOTCQMZEG-QGZVFWFLSA-N 1 1 328.412 2.779 40 0 EFABMO CC(C)[N@@H+](CCO)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391723 217219444 /nfs/dbraw/zinc/21/94/44/217219444.db2.gz JFFVARNQYMXMRF-SFHVURJKSA-N 1 1 334.460 2.738 40 0 EFABMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1 ZINC000079361183 217216456 /nfs/dbraw/zinc/21/64/56/217216456.db2.gz MRZNTBPLLSWREB-APWZRJJASA-N 1 1 347.503 2.619 40 0 EFABMO C[C@@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000079778789 217254105 /nfs/dbraw/zinc/25/41/05/217254105.db2.gz VAFDTSLKQUGORT-GDBMZVCRSA-N 1 1 327.432 2.595 40 0 EFABMO C[C@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000080230954 217290582 /nfs/dbraw/zinc/29/05/82/217290582.db2.gz QOSYQRQEPYPZQG-ZFWWWQNUSA-N 1 1 346.862 2.899 40 0 EFABMO COc1cc(C[NH+]2CCC(O)(c3cccnc3F)CC2)cc(OC)c1 ZINC000012327637 211349928 /nfs/dbraw/zinc/34/99/28/211349928.db2.gz INQZOSVKIOTLGS-UHFFFAOYSA-N 1 1 346.402 2.722 40 0 EFABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](Cc3cncn3C)C2)on1 ZINC000012221523 211324222 /nfs/dbraw/zinc/32/42/22/211324222.db2.gz UFJBDXURBMKLFK-LBPRGKRZSA-N 1 1 344.444 2.615 40 0 EFABMO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3cncn3C)C2)on1 ZINC000012221523 211324226 /nfs/dbraw/zinc/32/42/26/211324226.db2.gz UFJBDXURBMKLFK-LBPRGKRZSA-N 1 1 344.444 2.615 40 0 EFABMO C[C@H]1C[N@H+](C2CCN(c3cncc(Br)c3)CC2)CCO1 ZINC000091453646 218008906 /nfs/dbraw/zinc/00/89/06/218008906.db2.gz SHVZQTDDEYRXEJ-LBPRGKRZSA-N 1 1 340.265 2.534 40 0 EFABMO O=C([C@H]1CCC[N@@H+]1Cc1cnc2ccsc2c1)N1CCSCC1 ZINC000092672951 218157416 /nfs/dbraw/zinc/15/74/16/218157416.db2.gz WMJOLBWBPPZLGK-OAHLLOKOSA-N 1 1 347.509 2.836 40 0 EFABMO O=C([C@H]1CCC[N@H+]1Cc1cnc2ccsc2c1)N1CCSCC1 ZINC000092672951 218157418 /nfs/dbraw/zinc/15/74/18/218157418.db2.gz WMJOLBWBPPZLGK-OAHLLOKOSA-N 1 1 347.509 2.836 40 0 EFABMO COc1ccc(Cl)cc1NC(=S)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000009876408 211129616 /nfs/dbraw/zinc/12/96/16/211129616.db2.gz YLCWWHNOWONVBP-NSHDSACASA-N 1 1 327.881 2.977 40 0 EFABMO O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1cccc2ccccc21 ZINC000009225507 211054709 /nfs/dbraw/zinc/05/47/09/211054709.db2.gz XTSQBPYKRQYRGP-OKZBNKHCSA-N 1 1 337.423 2.568 40 0 EFABMO CC[N@@H+](CCNC(=O)c1sccc1NC(=O)c1ccoc1)C1CC1 ZINC000095350995 218284935 /nfs/dbraw/zinc/28/49/35/218284935.db2.gz JADBMWZMTJIQDZ-UHFFFAOYSA-N 1 1 347.440 2.808 40 0 EFABMO O=C(C[C@@H]1OCCc2ccccc21)Nc1c[nH+]ccc1-n1cccn1 ZINC000095397482 218330381 /nfs/dbraw/zinc/33/03/81/218330381.db2.gz OTMNLQDOOHRKBM-SFHVURJKSA-N 1 1 334.379 2.910 40 0 EFABMO CC(C)(C)S(=O)(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000095405121 218340311 /nfs/dbraw/zinc/34/03/11/218340311.db2.gz LDYMAHCMZDKADJ-UHFFFAOYSA-N 1 1 342.480 2.915 40 0 EFABMO C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1csc(C2CC2)n1 ZINC000095405331 218341073 /nfs/dbraw/zinc/34/10/73/218341073.db2.gz XVFZDNCMTWDMQB-YUTCNCBUSA-N 1 1 334.489 2.960 40 0 EFABMO Cc1nc(-c2ccccc2NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)no1 ZINC000095418298 218357948 /nfs/dbraw/zinc/35/79/48/218357948.db2.gz NAZLVLZCJLFUDR-LRDDRELGSA-N 1 1 343.431 2.849 40 0 EFABMO Cc1ncsc1CNc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000095428976 218371836 /nfs/dbraw/zinc/37/18/36/218371836.db2.gz HXVCDZANAIIHPC-OAHLLOKOSA-N 1 1 344.484 2.761 40 0 EFABMO Cc1nc(C)c(CNc2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000095428971 218372247 /nfs/dbraw/zinc/37/22/47/218372247.db2.gz HIOOYKBSURIPHV-MRXNPFEDSA-N 1 1 344.484 2.822 40 0 EFABMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000095432454 218375132 /nfs/dbraw/zinc/37/51/32/218375132.db2.gz QRUAEJIJZNADSQ-INIZCTEOSA-N 1 1 330.407 2.897 40 0 EFABMO COc1ccc2cccc(CC(=O)N(C)C[C@H]3CC[N@@H+](C)C3)c2c1 ZINC000095435958 218378203 /nfs/dbraw/zinc/37/82/03/218378203.db2.gz XGWFKZRNVHNMPY-HNNXBMFYSA-N 1 1 326.440 2.801 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC12CCN(C(=O)c1ccnnc1)CC2 ZINC000096051588 218541956 /nfs/dbraw/zinc/54/19/56/218541956.db2.gz NGUYORZHAYISQE-QGZVFWFLSA-N 1 1 340.427 2.586 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000096161699 218637664 /nfs/dbraw/zinc/63/76/64/218637664.db2.gz YGHBHQWYFCOZSY-HDICACEKSA-N 1 1 339.414 2.733 40 0 EFABMO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(OC)c4)C[C@@H]32)C1=O ZINC000096261442 218731076 /nfs/dbraw/zinc/73/10/76/218731076.db2.gz DBKCVSBTAZZMGK-IMFGXOCKSA-N 1 1 341.455 2.556 40 0 EFABMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000096435176 218813615 /nfs/dbraw/zinc/81/36/15/218813615.db2.gz DWKRZNHLVWBGMK-HNNXBMFYSA-N 1 1 327.432 2.678 40 0 EFABMO COC[C@@H]1CC2(CN1Cc1nccs1)CC[NH+](CC1CC1)CC2 ZINC000096240341 285254443 /nfs/dbraw/zinc/25/44/43/285254443.db2.gz XYCRGGPYCUCEGF-INIZCTEOSA-N 1 1 335.517 2.856 40 0 EFABMO O[C@@H]1C[C@H]2CN(CCc3ccccc3)[C@H](Cc3ccccc3)C[N@H+]2C1 ZINC000072325166 285335252 /nfs/dbraw/zinc/33/52/52/285335252.db2.gz GAVRZYAYVCPRFU-BHIFYINESA-N 1 1 336.479 2.591 40 0 EFABMO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)[C@H](Cc3ccccc3)CN2C1 ZINC000072325166 285335259 /nfs/dbraw/zinc/33/52/59/285335259.db2.gz GAVRZYAYVCPRFU-BHIFYINESA-N 1 1 336.479 2.591 40 0 EFABMO O[C@@H]1C[C@H]2C[N@@H+](CCc3ccccc3)[C@H](Cc3ccccc3)CN2C1 ZINC000072325166 285335265 /nfs/dbraw/zinc/33/52/65/285335265.db2.gz GAVRZYAYVCPRFU-BHIFYINESA-N 1 1 336.479 2.591 40 0 EFABMO O[C@@H]1C[C@H]2C[N@@H+](CC3CCCCC3)[C@H](Cc3ccccc3)CN2C1 ZINC000019372758 285335532 /nfs/dbraw/zinc/33/55/32/285335532.db2.gz NIQMSWKKDAJQAE-QHAWAJNXSA-N 1 1 328.500 2.929 40 0 EFABMO O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000019372758 285335534 /nfs/dbraw/zinc/33/55/34/285335534.db2.gz NIQMSWKKDAJQAE-QHAWAJNXSA-N 1 1 328.500 2.929 40 0 EFABMO O[C@@H]1C[C@H]2CN(CC3CCCCC3)[C@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372758 285335541 /nfs/dbraw/zinc/33/55/41/285335541.db2.gz NIQMSWKKDAJQAE-QHAWAJNXSA-N 1 1 328.500 2.929 40 0 EFABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1 ZINC000072227264 257686080 /nfs/dbraw/zinc/68/60/80/257686080.db2.gz NVKUNTKADVGODZ-HUUCEWRRSA-N 1 1 347.212 2.873 40 0 EFABMO O=C(C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1)NCc1ccco1 ZINC000072342103 257914095 /nfs/dbraw/zinc/91/40/95/257914095.db2.gz UXZZZZMTQKWTLU-UHFFFAOYSA-N 1 1 342.395 2.504 40 0 EFABMO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000330032893 258002485 /nfs/dbraw/zinc/00/24/85/258002485.db2.gz UAFWRUVIBPKRQZ-APWZRJJASA-N 1 1 340.471 2.828 40 0 EFABMO O=c1c2c([nH]c3cc(-c4ccco4)nn31)C[N@@H+](Cc1cccnc1)CC2 ZINC000019339605 285380495 /nfs/dbraw/zinc/38/04/95/285380495.db2.gz PQGJAFVNQPIJAY-UHFFFAOYSA-N 1 1 347.378 2.648 40 0 EFABMO O=c1c2c([nH]c3cc(-c4ccco4)nn31)C[N@H+](Cc1cccnc1)CC2 ZINC000019339605 285380497 /nfs/dbraw/zinc/38/04/97/285380497.db2.gz PQGJAFVNQPIJAY-UHFFFAOYSA-N 1 1 347.378 2.648 40 0 EFABMO Cc1ccc(N(C)[C@@H]2CC[C@@H]3C[N@@H+](Cc4nccs4)C[C@H]23)nn1 ZINC000257254649 292125897 /nfs/dbraw/zinc/12/58/97/292125897.db2.gz KECJAYIHKJBCRZ-QLFBSQMISA-N 1 1 329.473 2.588 40 0 EFABMO C[C@H](c1ccccc1)n1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)n1 ZINC000096486919 544558737 /nfs/dbraw/zinc/55/87/37/544558737.db2.gz KPKDQJFCCUBMLL-GDBMZVCRSA-N 1 1 344.484 2.868 40 0 EFABMO C[C@H](c1ccccc1)n1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000096486919 544558739 /nfs/dbraw/zinc/55/87/39/544558739.db2.gz KPKDQJFCCUBMLL-GDBMZVCRSA-N 1 1 344.484 2.868 40 0 EFABMO CC(=O)c1csc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000162320691 544826034 /nfs/dbraw/zinc/82/60/34/544826034.db2.gz ZCAFJXGPFQXLNX-UHFFFAOYSA-N 1 1 329.425 2.617 40 0 EFABMO COc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCN(C)CC4)C3)o2)cc1 ZINC000049170129 274104190 /nfs/dbraw/zinc/10/41/90/274104190.db2.gz GOSUCVWKGKQRLQ-HNNXBMFYSA-N 1 1 342.443 2.629 40 0 biogenic,in-vitro EFABMO O=C1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054636 275030963 /nfs/dbraw/zinc/03/09/63/275030963.db2.gz VAHZHPIQHXPKQI-HKUYNNGSSA-N 1 1 339.414 2.701 40 0 EFABMO COc1ccccc1C[N@@H+](Cc1cnn(C)c1C)C[C@@H]1CCCO1 ZINC000057811342 278048842 /nfs/dbraw/zinc/04/88/42/278048842.db2.gz MPMKDMLHFNDWHF-SFHVURJKSA-N 1 1 329.444 2.918 40 0 EFABMO COc1ccccc1C[N@H+](Cc1cnn(C)c1C)C[C@@H]1CCCO1 ZINC000057811342 278048843 /nfs/dbraw/zinc/04/88/43/278048843.db2.gz MPMKDMLHFNDWHF-SFHVURJKSA-N 1 1 329.444 2.918 40 0 EFABMO CC[C@]1(C)CN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000190822402 281319323 /nfs/dbraw/zinc/31/93/23/281319323.db2.gz GRASBDFWZKUIFY-GPMSIDNRSA-N 1 1 337.508 2.850 40 0 EFABMO CC(C)c1[nH+]ccn1CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000097236187 323214302 /nfs/dbraw/zinc/21/43/02/323214302.db2.gz OBLINJWWDROPFO-UHFFFAOYSA-N 1 1 326.400 2.770 40 0 EFABMO O[C@@H](C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1)C(F)(F)F ZINC000122009222 323216215 /nfs/dbraw/zinc/21/62/15/323216215.db2.gz LHROOZIYABIULX-OLZOCXBDSA-N 1 1 340.349 2.574 40 0 EFABMO CCN1CC[C@@H](NC2CC[NH+](C)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000123696707 323216467 /nfs/dbraw/zinc/21/64/67/323216467.db2.gz VGCPTLVXNDXEMQ-AEFFLSMTSA-N 1 1 341.421 2.923 40 0 EFABMO Cc1cc(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)n(C)n1 ZINC000163473312 323222855 /nfs/dbraw/zinc/22/28/55/323222855.db2.gz RAXAEWBKAWZNIO-IBGZPJMESA-N 1 1 326.444 2.513 40 0 EFABMO COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccccn3)C2=O)c1 ZINC000090180088 472606844 /nfs/dbraw/zinc/60/68/44/472606844.db2.gz FXZJCDMGOJCMOL-SCLBCKFNSA-N 1 1 341.411 2.555 40 0 EFABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccccc3F)n[nH]2)cc1OC ZINC000095533852 473221658 /nfs/dbraw/zinc/22/16/58/473221658.db2.gz MSXUOXCWLWNJOP-HNNXBMFYSA-N 1 1 328.347 2.676 40 0 EFABMO COc1ccc([C@H]([NH3+])c2nnc(-c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000095533722 473222603 /nfs/dbraw/zinc/22/26/03/473222603.db2.gz MDHOJRIWJFBMSV-INIZCTEOSA-N 1 1 340.383 2.546 40 0 EFABMO COc1cccc(NCCc2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)c1 ZINC000095533289 473222736 /nfs/dbraw/zinc/22/27/36/473222736.db2.gz KDKILADVTJHQBF-KRWDZBQOSA-N 1 1 341.390 2.655 40 0 EFABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccccn3)n[nH]2)cc1OCC ZINC000095534536 473223007 /nfs/dbraw/zinc/22/30/07/473223007.db2.gz JINJLLBPOYXPOZ-INIZCTEOSA-N 1 1 339.399 2.712 40 0 EFABMO CCOc1cc([C@H]([NH3+])c2nc(-c3cccs3)n[nH]2)ccc1OC ZINC000095534442 473223263 /nfs/dbraw/zinc/22/32/63/473223263.db2.gz FMUYRYGNBJAWOM-AWEZNQCLSA-N 1 1 330.413 2.989 40 0 EFABMO CC[C@@H]1[N@@H+](Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2CC1CC1 ZINC000096038510 473258447 /nfs/dbraw/zinc/25/84/47/473258447.db2.gz YBZGDANMNKEBFT-HKUYNNGSSA-N 1 1 330.476 2.566 40 0 EFABMO O=C(NC1CCCC1)[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096038882 473259083 /nfs/dbraw/zinc/25/90/83/473259083.db2.gz ILVCACFSCJQBHM-GVDBMIGSSA-N 1 1 334.485 2.644 40 0 EFABMO c1ccc(CC[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC000096041655 473261983 /nfs/dbraw/zinc/26/19/83/473261983.db2.gz ORUDYZNAEKIQAJ-PWRODBHTSA-N 1 1 345.483 2.904 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)NCC3CC3)C[C@H]3OCC[C@H]32)cc1 ZINC000096041206 473262295 /nfs/dbraw/zinc/26/22/95/473262295.db2.gz FMLBVXOTFPZJFV-IPMKNSEASA-N 1 1 328.456 2.501 40 0 EFABMO COC[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2cn(C)nc21 ZINC000096044689 473264509 /nfs/dbraw/zinc/26/45/09/473264509.db2.gz UUHCTWIMIPMDRW-CQSZACIVSA-N 1 1 335.835 2.698 40 0 EFABMO O=C(NCC1CC1)[C@H]1CO[C@H]2CC[N@H+](Cc3ccccc3F)C[C@H]2C1 ZINC000096042636 473265847 /nfs/dbraw/zinc/26/58/47/473265847.db2.gz GXANXCGZZQKUOW-LMMKCTJWSA-N 1 1 346.446 2.579 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042525 473265937 /nfs/dbraw/zinc/26/59/37/473265937.db2.gz JLXPRXSTWFZVNR-NUJGCVRESA-N 1 1 345.468 2.795 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@H+](Cc3cccnc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042496 473265981 /nfs/dbraw/zinc/26/59/81/473265981.db2.gz IOIPOWFNMRDSSB-KURKYZTESA-N 1 1 345.468 2.795 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3cccnc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042496 473265988 /nfs/dbraw/zinc/26/59/88/473265988.db2.gz IOIPOWFNMRDSSB-KURKYZTESA-N 1 1 345.468 2.795 40 0 EFABMO Cn1cnc2c1[C@@H](COCC1CCOCC1)C[N@@H+](CC1CCCC1)C2 ZINC000096044999 473266932 /nfs/dbraw/zinc/26/69/32/473266932.db2.gz RXURDYWOBFJINM-GOSISDBHSA-N 1 1 347.503 2.953 40 0 EFABMO CN(Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048043 473269521 /nfs/dbraw/zinc/26/95/21/473269521.db2.gz HLVGCWYRHODOAV-SFHVURJKSA-N 1 1 341.455 2.930 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@]2(CC[N@@H+](Cc3ccncc3)C2)C1 ZINC000096047051 473269966 /nfs/dbraw/zinc/26/99/66/473269966.db2.gz SUZAUJYHXFGXDB-HXUWFJFHSA-N 1 1 336.439 2.605 40 0 EFABMO CS(=O)(=O)N1CCCC[C@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096047409 473269984 /nfs/dbraw/zinc/26/99/84/473269984.db2.gz YVUFSBUBWBJENE-OAHLLOKOSA-N 1 1 328.503 2.528 40 0 EFABMO Cc1ccc(C[N@H+]2CCC3(C2)CCN(C(=O)c2cnccn2)CC3)o1 ZINC000096046672 473270000 /nfs/dbraw/zinc/27/00/00/473270000.db2.gz AYTUNTQXZIUGBY-UHFFFAOYSA-N 1 1 340.427 2.506 40 0 EFABMO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000096048598 473271348 /nfs/dbraw/zinc/27/13/48/473271348.db2.gz CCTBFLIAOOSLLU-LPHOPBHVSA-N 1 1 342.443 2.638 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)o1 ZINC000096050906 473273819 /nfs/dbraw/zinc/27/38/19/473273819.db2.gz JLUOZIJIANMXDK-SFHVURJKSA-N 1 1 345.468 2.978 40 0 EFABMO c1cncc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049560 473274403 /nfs/dbraw/zinc/27/44/03/473274403.db2.gz XMTBGZPBESEEDN-FQEVSTJZSA-N 1 1 338.455 2.596 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000096050629 473274528 /nfs/dbraw/zinc/27/45/28/473274528.db2.gz PEFDQEFNZAIBEE-FQEVSTJZSA-N 1 1 339.414 2.845 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H](C(=O)N3CCCC3)C3(C2)CCOCC3)s1 ZINC000096052183 473275837 /nfs/dbraw/zinc/27/58/37/473275837.db2.gz OABLQQAZSZHJQM-QGZVFWFLSA-N 1 1 348.512 2.908 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)NCC3CC3)C3(C2)CCOCC3)s1 ZINC000096052134 473276758 /nfs/dbraw/zinc/27/67/58/473276758.db2.gz OPVIFBSVMAENJW-KRWDZBQOSA-N 1 1 348.512 2.811 40 0 EFABMO O=C([C@H]1C[N@@H+](Cc2ccsc2)CC12CCOCC2)N1CCCC1 ZINC000096052175 473276820 /nfs/dbraw/zinc/27/68/20/473276820.db2.gz RBCDPEFFEJKYEF-MRXNPFEDSA-N 1 1 334.485 2.599 40 0 EFABMO c1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)cs1 ZINC000096055262 473277830 /nfs/dbraw/zinc/27/78/30/473277830.db2.gz MEMMVXVCBHUVHQ-ARFHVFGLSA-N 1 1 331.441 2.597 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)cs1 ZINC000096055262 473277835 /nfs/dbraw/zinc/27/78/35/473277835.db2.gz MEMMVXVCBHUVHQ-ARFHVFGLSA-N 1 1 331.441 2.597 40 0 EFABMO O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC000096054140 473279083 /nfs/dbraw/zinc/27/90/83/473279083.db2.gz KDMJXAAEDREHOD-ZIAGYGMSSA-N 1 1 333.482 2.799 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)o1 ZINC000096055880 473279430 /nfs/dbraw/zinc/27/94/30/473279430.db2.gz WCTQLHGBBCJMPG-GVDBMIGSSA-N 1 1 334.441 2.769 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3COC[C@H]32)o1 ZINC000096055880 473279437 /nfs/dbraw/zinc/27/94/37/473279437.db2.gz WCTQLHGBBCJMPG-GVDBMIGSSA-N 1 1 334.441 2.769 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2ccncc2)o1 ZINC000096056599 473280258 /nfs/dbraw/zinc/28/02/58/473280258.db2.gz QYZJTNCWSGSNBK-QZTJIDSGSA-N 1 1 325.412 2.749 40 0 EFABMO O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3cccs3)C[C@H]21 ZINC000096058254 473280752 /nfs/dbraw/zinc/28/07/52/473280752.db2.gz NPPHQYPHSFZCLT-IXDOHACOSA-N 1 1 334.485 2.501 40 0 EFABMO c1cc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)co1 ZINC000096056423 473280880 /nfs/dbraw/zinc/28/08/80/473280880.db2.gz FOFXTUQKUUNSEO-GUDVDZBRSA-N 1 1 335.444 2.845 40 0 EFABMO COc1ccc(C[N@H+]2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096057101 473280944 /nfs/dbraw/zinc/28/09/44/473280944.db2.gz SNYKJUFASYDGMP-SXLOBPIMSA-N 1 1 330.472 2.770 40 0 EFABMO COc1ccc(C[N@@H+]2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096057101 473280947 /nfs/dbraw/zinc/28/09/47/473280947.db2.gz SNYKJUFASYDGMP-SXLOBPIMSA-N 1 1 330.472 2.770 40 0 EFABMO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)o1 ZINC000096057946 473281858 /nfs/dbraw/zinc/28/18/58/473281858.db2.gz VBIRHCFXZPWBPJ-IPMKNSEASA-N 1 1 335.444 2.763 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)o1 ZINC000096057946 473281865 /nfs/dbraw/zinc/28/18/65/473281865.db2.gz VBIRHCFXZPWBPJ-IPMKNSEASA-N 1 1 335.444 2.763 40 0 EFABMO Cc1ccc(C[N@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)s1 ZINC000096058639 473283003 /nfs/dbraw/zinc/28/30/03/473283003.db2.gz LZPJGVYOJOYGLH-CQSZACIVSA-N 1 1 329.469 2.951 40 0 EFABMO COc1ccc(C[N@H+]2CCc3ncnc([C@H]4CCOC4)c3CC2)cc1 ZINC000096058648 473283451 /nfs/dbraw/zinc/28/34/51/473283451.db2.gz UTAIDLCJUBJTBY-INIZCTEOSA-N 1 1 339.439 2.590 40 0 EFABMO Fc1ccc(C[N@H+]2CCc3ncnc([C@@H]4CCOC4)c3CC2)cc1 ZINC000096058645 473283682 /nfs/dbraw/zinc/28/36/82/473283682.db2.gz VVCAVEACOUPCTC-OAHLLOKOSA-N 1 1 327.403 2.720 40 0 EFABMO c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1[C@H]2N1CCOCC1 ZINC000096058348 473283824 /nfs/dbraw/zinc/28/38/24/473283824.db2.gz FSMXWUVGIIWRHB-ACRUOGEOSA-N 1 1 335.451 2.684 40 0 EFABMO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](CC1CCOCC1)C2 ZINC000096059953 473284188 /nfs/dbraw/zinc/28/41/88/473284188.db2.gz IPTGXWSECPHGNP-GOSISDBHSA-N 1 1 333.476 2.655 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(CC[C@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)o1 ZINC000096061286 473284857 /nfs/dbraw/zinc/28/48/57/473284857.db2.gz ICPDFRMVVKDAHA-BOUXLOLZSA-N 1 1 346.471 2.874 40 0 EFABMO Cc1nc(C[N@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)cs1 ZINC000096069964 473289808 /nfs/dbraw/zinc/28/98/08/473289808.db2.gz OTYJABQLXYABOW-ROUUACIJSA-N 1 1 346.500 2.797 40 0 EFABMO Cc1nc(C[N@@H+]2CC[C@H](OCC3CC3)[C@@H]2Cc2cnn(C)c2)cs1 ZINC000096069964 473289813 /nfs/dbraw/zinc/28/98/13/473289813.db2.gz OTYJABQLXYABOW-ROUUACIJSA-N 1 1 346.500 2.797 40 0 EFABMO CC(C)C[N@H+]1CCC[C@@]12CCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096071084 473289979 /nfs/dbraw/zinc/28/99/79/473289979.db2.gz HPNXVOLXJOFNDI-SFHVURJKSA-N 1 1 336.501 2.713 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H](OCCCn3cccn3)[C@H]3OCCC[C@H]32)o1 ZINC000096065438 473287517 /nfs/dbraw/zinc/28/75/17/473287517.db2.gz QNMBIXLHNSGBCM-QYZOEREBSA-N 1 1 345.443 2.623 40 0 EFABMO O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCC2)O1 ZINC000096065367 473288049 /nfs/dbraw/zinc/28/80/49/473288049.db2.gz CPLBQZCSIQEYQK-QRVBRYPASA-N 1 1 343.471 2.510 40 0 EFABMO Cc1occc1C(=O)N1CCOC[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096070377 473288575 /nfs/dbraw/zinc/28/85/75/473288575.db2.gz ISWKVIHZQUINLN-IBGZPJMESA-N 1 1 344.411 2.546 40 0 EFABMO Cc1nc(CN2CC[N@@H+]([C@@H]3CCOC3)Cc3ccc(C)nc32)cs1 ZINC000096069241 473289449 /nfs/dbraw/zinc/28/94/49/473289449.db2.gz MUGFMBXNOPNVCQ-QGZVFWFLSA-N 1 1 344.484 2.766 40 0 EFABMO Cc1nc(CN2CC[N@H+]([C@@H]3CCOC3)Cc3ccc(C)nc32)cs1 ZINC000096069241 473289453 /nfs/dbraw/zinc/28/94/53/473289453.db2.gz MUGFMBXNOPNVCQ-QGZVFWFLSA-N 1 1 344.484 2.766 40 0 EFABMO Cn1cnc(C(=O)N2CCC[C@@]23CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000096071384 473289631 /nfs/dbraw/zinc/28/96/31/473289631.db2.gz JBPRACVMAXKYGQ-HXUWFJFHSA-N 1 1 338.455 2.691 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cc[nH]n1)CC2 ZINC000096075292 473290977 /nfs/dbraw/zinc/29/09/77/473290977.db2.gz ZWRIHUIYVVMEFC-UHFFFAOYSA-N 1 1 329.448 2.645 40 0 EFABMO CCCN1CCC([N@@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080583 473291161 /nfs/dbraw/zinc/29/11/61/473291161.db2.gz PEZVVCFAXYMTME-APWZRJJASA-N 1 1 342.487 2.709 40 0 EFABMO CCCN1CCC([N@H+]2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]32)CC1 ZINC000096080583 473291170 /nfs/dbraw/zinc/29/11/70/473291170.db2.gz PEZVVCFAXYMTME-APWZRJJASA-N 1 1 342.487 2.709 40 0 EFABMO COC[C@H]1CN(CC2CC2)C(=O)[C@@H]2CC[N@@H+](Cc3ccoc3)CC[C@H]12 ZINC000096089012 473293841 /nfs/dbraw/zinc/29/38/41/473293841.db2.gz ZKYXIYKIXFZBNO-GUDVDZBRSA-N 1 1 346.471 2.623 40 0 EFABMO CC(C)[N@@H+](C)Cc1nn(C)c2c1CCN(C(=O)c1ccsc1)C2 ZINC000096084164 473293998 /nfs/dbraw/zinc/29/39/98/473293998.db2.gz WJEGJIJEPCIROT-UHFFFAOYSA-N 1 1 332.473 2.520 40 0 EFABMO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096107563 473299908 /nfs/dbraw/zinc/29/99/08/473299908.db2.gz WLBNTXBTCFYDNN-LPHOPBHVSA-N 1 1 343.402 2.818 40 0 EFABMO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)cs1 ZINC000096107782 473299979 /nfs/dbraw/zinc/29/99/79/473299979.db2.gz LALZZKRGCDTXNQ-SJORKVTESA-N 1 1 334.441 2.995 40 0 EFABMO Cc1cc(C[NH+]2CCC3(CO[C@H](COc4cccnc4)C3)CC2)no1 ZINC000096106109 473298690 /nfs/dbraw/zinc/29/86/90/473298690.db2.gz WSGDGIAAPDRHPJ-SFHVURJKSA-N 1 1 343.427 2.828 40 0 EFABMO Cc1nc(CN2CCO[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cs1 ZINC000096108137 473300054 /nfs/dbraw/zinc/30/00/54/473300054.db2.gz AFWDPCZABPOWMA-WMLDXEAASA-N 1 1 349.525 2.846 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107530 473299714 /nfs/dbraw/zinc/29/97/14/473299714.db2.gz QGRUYJMKIMAUHQ-ICSRJNTNSA-N 1 1 339.439 2.988 40 0 EFABMO Fc1cccc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108126 473300124 /nfs/dbraw/zinc/30/01/24/473300124.db2.gz UFYNTMMGWPCTLF-AZUAARDMSA-N 1 1 341.430 2.554 40 0 EFABMO Fc1cccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108126 473300132 /nfs/dbraw/zinc/30/01/32/473300132.db2.gz UFYNTMMGWPCTLF-AZUAARDMSA-N 1 1 341.430 2.554 40 0 EFABMO O=C1[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107113 473300968 /nfs/dbraw/zinc/30/09/68/473300968.db2.gz QMRDDUUWDBWGFE-MSOLQXFVSA-N 1 1 326.396 2.534 40 0 EFABMO O=C1[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107113 473300975 /nfs/dbraw/zinc/30/09/75/473300975.db2.gz QMRDDUUWDBWGFE-MSOLQXFVSA-N 1 1 326.396 2.534 40 0 EFABMO Cc1nc(COC[C@]23COC[C@H]2C[N@@H+](Cc2ccco2)C3)cs1 ZINC000096108904 473301273 /nfs/dbraw/zinc/30/12/73/473301273.db2.gz NLPAZFRUNSQPIV-PBHICJAKSA-N 1 1 334.441 2.710 40 0 EFABMO COc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC000096108846 473301539 /nfs/dbraw/zinc/30/15/39/473301539.db2.gz VQHXSOCFLNNOAD-XLIONFOSSA-N 1 1 340.423 2.618 40 0 EFABMO c1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cs1 ZINC000096108986 473301886 /nfs/dbraw/zinc/30/18/86/473301886.db2.gz LPUQKEVFZCGGGM-AEFFLSMTSA-N 1 1 330.453 2.808 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2cccs2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108586 473302377 /nfs/dbraw/zinc/30/23/77/473302377.db2.gz SWNHRRTYWNZJDG-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CCN(Cc2cccs2)[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108586 473302385 /nfs/dbraw/zinc/30/23/85/473302385.db2.gz SWNHRRTYWNZJDG-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CCN(Cc2cccs2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096108586 473302389 /nfs/dbraw/zinc/30/23/89/473302389.db2.gz SWNHRRTYWNZJDG-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO O=C(CC1CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccoc3)CCO[C@@H]2C1 ZINC000096108202 473302732 /nfs/dbraw/zinc/30/27/32/473302732.db2.gz OVAXSTVZYXLPLU-ZWKOTPCHSA-N 1 1 332.444 2.519 40 0 EFABMO Fc1cccc(C[N@H+]2C[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC000096108126 473300121 /nfs/dbraw/zinc/30/01/21/473300121.db2.gz UFYNTMMGWPCTLF-AZUAARDMSA-N 1 1 341.430 2.554 40 0 EFABMO C[N@@H+](Cc1ccco1)C1CC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC000096159257 473319881 /nfs/dbraw/zinc/31/98/81/473319881.db2.gz CYDOSCOIWMOTOK-UHFFFAOYSA-N 1 1 340.427 2.586 40 0 EFABMO C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096158713 473317713 /nfs/dbraw/zinc/31/77/13/473317713.db2.gz RWTLZMRBEPHMGV-OAHLLOKOSA-N 1 1 344.484 2.798 40 0 EFABMO Cn1cccc1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC000096158826 473317986 /nfs/dbraw/zinc/31/79/86/473317986.db2.gz FKDMOQUEOURREY-UHFFFAOYSA-N 1 1 345.512 2.954 40 0 EFABMO C[NH+](C)CCOC[C@H]1CCC[C@]12CN(Cc1ccccc1)CCO2 ZINC000096159885 473320528 /nfs/dbraw/zinc/32/05/28/473320528.db2.gz SPBZPCYRMAOLCL-UXHICEINSA-N 1 1 332.488 2.636 40 0 EFABMO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)o1 ZINC000096184569 473325807 /nfs/dbraw/zinc/32/58/07/473325807.db2.gz BKSQUIFEPFBMCJ-CVEARBPZSA-N 1 1 331.441 2.788 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)o1 ZINC000096184569 473325811 /nfs/dbraw/zinc/32/58/11/473325811.db2.gz BKSQUIFEPFBMCJ-CVEARBPZSA-N 1 1 331.441 2.788 40 0 EFABMO Cc1ccccc1C(=O)N1CC[C@H]2[C@H](C[C@@H](CN(C)C)[N@@H+]2C(C)C)C1 ZINC000096185565 473327233 /nfs/dbraw/zinc/32/72/33/473327233.db2.gz RERPCLMKUVSXDK-HBFSDRIKSA-N 1 1 343.515 2.870 40 0 EFABMO CN(Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096185364 473327384 /nfs/dbraw/zinc/32/73/84/473327384.db2.gz IQMPOSXLOQZEDD-AQNXPRMDSA-N 1 1 341.455 2.644 40 0 EFABMO CN(Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]12 ZINC000096185364 473327390 /nfs/dbraw/zinc/32/73/90/473327390.db2.gz IQMPOSXLOQZEDD-AQNXPRMDSA-N 1 1 341.455 2.644 40 0 EFABMO Cc1nc(CO[C@H]2C[N@@H+](Cc3cccs3)[C@@H]3COC[C@H]23)cs1 ZINC000096185083 473327828 /nfs/dbraw/zinc/32/78/28/473327828.db2.gz JRGKXUSAMDGBDB-XHSDSOJGSA-N 1 1 336.482 2.929 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@@H]3O[C@@H](COc4cccnc4)CC[C@@H]32)c1 ZINC000096186743 473328459 /nfs/dbraw/zinc/32/84/59/473328459.db2.gz NEDUZKLQLXPYKJ-QYZOEREBSA-N 1 1 325.412 2.678 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@@H+](Cc1ccccn1)C2 ZINC000096189151 473330258 /nfs/dbraw/zinc/33/02/58/473330258.db2.gz FFHQVJXVERHOMH-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@H+](Cc1ccccn1)C2 ZINC000096189151 473330266 /nfs/dbraw/zinc/33/02/66/473330266.db2.gz FFHQVJXVERHOMH-SFHVURJKSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@@H+](Cc1ccncc1)C2 ZINC000096189155 473330860 /nfs/dbraw/zinc/33/08/60/473330860.db2.gz PVBMDWPAQUJLER-LJQANCHMSA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@H](COCc1cccnc1)C[N@H+](Cc1ccncc1)C2 ZINC000096189155 473330868 /nfs/dbraw/zinc/33/08/68/473330868.db2.gz PVBMDWPAQUJLER-LJQANCHMSA-N 1 1 349.438 2.522 40 0 EFABMO O=C(NCc1cncc2c1CC[N@H+](Cc1cccs1)C2)C1CC1 ZINC000096189489 473331489 /nfs/dbraw/zinc/33/14/89/473331489.db2.gz FXNJNYCQMHZVEA-UHFFFAOYSA-N 1 1 327.453 2.728 40 0 EFABMO O=C(NCc1cncc2c1CC[N@@H+](Cc1cccs1)C2)C1CC1 ZINC000096189489 473331495 /nfs/dbraw/zinc/33/14/95/473331495.db2.gz FXNJNYCQMHZVEA-UHFFFAOYSA-N 1 1 327.453 2.728 40 0 EFABMO CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)[C@@H]1Cc1cnn(C)c1 ZINC000096200624 473335343 /nfs/dbraw/zinc/33/53/43/473335343.db2.gz RNDKPKFWBDCRBC-RTBURBONSA-N 1 1 329.444 2.651 40 0 EFABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccccc1 ZINC000096200807 473336762 /nfs/dbraw/zinc/33/67/62/473336762.db2.gz DMHKMTZPCMNJSZ-MOPGFXCFSA-N 1 1 338.455 2.643 40 0 EFABMO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2nccs2)C3)c1 ZINC000096202173 473337224 /nfs/dbraw/zinc/33/72/24/473337224.db2.gz CJDHKKPXXYWLED-QGZVFWFLSA-N 1 1 349.525 2.929 40 0 EFABMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)[C@@H]2C ZINC000096201238 473337649 /nfs/dbraw/zinc/33/76/49/473337649.db2.gz SUAZVMIMXXKUCY-CQSZACIVSA-N 1 1 333.480 2.752 40 0 EFABMO Cc1cc(C(=O)N2CCn3c(C[N@H+](C)C(C)C)cnc3C2)c(C)o1 ZINC000096201068 473338158 /nfs/dbraw/zinc/33/81/58/473338158.db2.gz FGFKPRZPZDFKRY-UHFFFAOYSA-N 1 1 330.432 2.589 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)o1 ZINC000096202207 473338243 /nfs/dbraw/zinc/33/82/43/473338243.db2.gz OUYUCWYYRMADGF-SFHVURJKSA-N 1 1 347.484 2.769 40 0 EFABMO Cc1nc(CN2CCC3(C[NH+](Cc4c(C)noc4C)C3)C2)cs1 ZINC000096202528 473338546 /nfs/dbraw/zinc/33/85/46/473338546.db2.gz DZJJDKKWAXZSFX-UHFFFAOYSA-N 1 1 332.473 2.764 40 0 EFABMO COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(Cc1cccnc1OC)CC2 ZINC000096206092 473340050 /nfs/dbraw/zinc/34/00/50/473340050.db2.gz ATXJDOGTESTMPX-GOSISDBHSA-N 1 1 347.503 2.802 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(Cc1cccnc1OC)CC2 ZINC000096206092 473340058 /nfs/dbraw/zinc/34/00/58/473340058.db2.gz ATXJDOGTESTMPX-GOSISDBHSA-N 1 1 347.503 2.802 40 0 EFABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1)c1ccsc1 ZINC000096205973 473340188 /nfs/dbraw/zinc/34/01/88/473340188.db2.gz JJVVWMAXZHAEPU-MAUKXSAKSA-N 1 1 346.452 2.895 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3ccc[nH]3)C2)cc1 ZINC000190637606 473341139 /nfs/dbraw/zinc/34/11/39/473341139.db2.gz ZJQNPHIBGDXLNO-MRXNPFEDSA-N 1 1 347.484 2.514 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccc[nH]3)C2)cc1 ZINC000190637606 473341147 /nfs/dbraw/zinc/34/11/47/473341147.db2.gz ZJQNPHIBGDXLNO-MRXNPFEDSA-N 1 1 347.484 2.514 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1CC1CC1)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208262 473342126 /nfs/dbraw/zinc/34/21/26/473342126.db2.gz RFXLRQUBJFVJLV-GOSISDBHSA-N 1 1 332.488 2.692 40 0 EFABMO COc1ccccc1CN1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096208507 473344193 /nfs/dbraw/zinc/34/41/93/473344193.db2.gz ITOZRXVNKFPQBP-AZUAARDMSA-N 1 1 330.472 2.915 40 0 EFABMO C[N@H+]1[C@@H](COCC2CC2)CCC12CCN(C(=O)c1cscn1)CC2 ZINC000096209079 473344241 /nfs/dbraw/zinc/34/42/41/473344241.db2.gz INVINRAHBIYCKJ-OAHLLOKOSA-N 1 1 349.500 2.639 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@]3(C2)C[C@@H](N2CCCC2=O)CCO3)cc1 ZINC000096208705 473345227 /nfs/dbraw/zinc/34/52/27/473345227.db2.gz XTBLJWUUMIFMSJ-PZJWPPBQSA-N 1 1 342.483 2.995 40 0 EFABMO c1ccc(NCC[C@@]23CCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096208633 473345276 /nfs/dbraw/zinc/34/52/76/473345276.db2.gz HJAHTZXFOFZKAE-QUCCMNQESA-N 1 1 338.455 2.960 40 0 EFABMO Cc1ccsc1C[N@H+]1CC[C@H]2OCC[C@@]2(CCNC(=O)C2CC2)C1 ZINC000096208333 473345407 /nfs/dbraw/zinc/34/54/07/473345407.db2.gz RSEHEDHZXGNBHC-MJGOQNOKSA-N 1 1 348.512 2.954 40 0 EFABMO Cc1cc(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c(C)o1 ZINC000096209876 473346286 /nfs/dbraw/zinc/34/62/86/473346286.db2.gz GXRXYWGUFNCMDB-YLJYHZDGSA-N 1 1 346.471 2.717 40 0 EFABMO CN1C[C@H](COCC2CC2)[C@]2(CC[N@H+](CCc3ccccc3)C2)C1 ZINC000096209878 473346499 /nfs/dbraw/zinc/34/64/99/473346499.db2.gz RJOYMGXZJGUXAV-NHCUHLMSSA-N 1 1 328.500 2.909 40 0 EFABMO CN1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000096209878 473346506 /nfs/dbraw/zinc/34/65/06/473346506.db2.gz RJOYMGXZJGUXAV-NHCUHLMSSA-N 1 1 328.500 2.909 40 0 EFABMO Fc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CN1CCOCC1)O2 ZINC000096214940 473346873 /nfs/dbraw/zinc/34/68/73/473346873.db2.gz NHKQOPYACDJXRH-AZUAARDMSA-N 1 1 348.462 2.672 40 0 EFABMO COC[C@H]1CCC2(CCN(C(=O)c3cscn3)CC2)[N@H+]1CC1CC1 ZINC000096209926 473347750 /nfs/dbraw/zinc/34/77/50/473347750.db2.gz IWTNYXCMJIBLDL-OAHLLOKOSA-N 1 1 349.500 2.639 40 0 EFABMO O=C(C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]12)Nc1cccnc1 ZINC000096215613 473347814 /nfs/dbraw/zinc/34/78/14/473347814.db2.gz ZIEWPJMHAIPWEB-DJIMGWMZSA-N 1 1 343.452 2.619 40 0 EFABMO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4ccco4)C[C@H]23)c1 ZINC000096216924 473349775 /nfs/dbraw/zinc/34/97/75/473349775.db2.gz NQKIASLYPIEHJY-JCURWCKSSA-N 1 1 334.803 2.854 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)n1 ZINC000096219164 473351447 /nfs/dbraw/zinc/35/14/47/473351447.db2.gz FAJHCCKMABPPJX-LPHOPBHVSA-N 1 1 342.418 2.770 40 0 EFABMO CN1CCN(C[C@@H]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)O2)CC1 ZINC000096218954 473352298 /nfs/dbraw/zinc/35/22/98/473352298.db2.gz RRBDUIABYFMICP-PKOBYXMFSA-N 1 1 349.544 2.509 40 0 EFABMO CN1CCN(C[C@@H]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)O2)CC1 ZINC000096218954 473352301 /nfs/dbraw/zinc/35/23/01/473352301.db2.gz RRBDUIABYFMICP-PKOBYXMFSA-N 1 1 349.544 2.509 40 0 EFABMO Clc1cncc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]23)c1 ZINC000096219492 473352666 /nfs/dbraw/zinc/35/26/66/473352666.db2.gz DSZWEIHALCTBFQ-BMGDILEWSA-N 1 1 345.830 2.656 40 0 EFABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(CCOc1ccc(Cl)cc1)C2 ZINC000096216550 473348921 /nfs/dbraw/zinc/34/89/21/473348921.db2.gz YGNLGPRFFKTHPK-CRAIPNDOSA-N 1 1 338.879 2.619 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222729 473354867 /nfs/dbraw/zinc/35/48/67/473354867.db2.gz ONWHCLWEPSRFDZ-PMACEKPBSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222726 473355069 /nfs/dbraw/zinc/35/50/69/473355069.db2.gz ONWHCLWEPSRFDZ-UXHICEINSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1ccccc1C(=O)N1CCC2(CC1)COCC[N@H+]2CC1CC1 ZINC000096226183 473357334 /nfs/dbraw/zinc/35/73/34/473357334.db2.gz ACUOSTRYLNWEML-UHFFFAOYSA-N 1 1 328.456 2.712 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NCC4CC4)=NO3)C2)cc1C ZINC000096225500 473357538 /nfs/dbraw/zinc/35/75/38/473357538.db2.gz CFHGIPVVXALZOQ-FQEVSTJZSA-N 1 1 341.455 2.550 40 0 EFABMO O=C(Cc1ccsc1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228807 473358436 /nfs/dbraw/zinc/35/84/36/473358436.db2.gz RQVVAZQGUQZZEC-LJQANCHMSA-N 1 1 348.512 2.642 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cnccn2)C3)cc1 ZINC000096229152 473358797 /nfs/dbraw/zinc/35/87/97/473358797.db2.gz KQWHWRTVAMZIKZ-HXUWFJFHSA-N 1 1 338.455 2.596 40 0 EFABMO COCCC[N@H+]1CCCC12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096227928 473359090 /nfs/dbraw/zinc/35/90/90/473359090.db2.gz XCJNSVXDNFDWAC-UHFFFAOYSA-N 1 1 336.501 2.784 40 0 EFABMO O=C(c1ccc(F)cc1)N1CCC[C@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228816 473359709 /nfs/dbraw/zinc/35/97/09/473359709.db2.gz GKBHLEQJIIVECJ-FQEVSTJZSA-N 1 1 346.446 2.790 40 0 EFABMO Cc1nc(CN2C[C@]3(CC[N@@H+](Cc4ccco4)C3)CC2=O)cs1 ZINC000096239362 473361229 /nfs/dbraw/zinc/36/12/29/473361229.db2.gz YIUCWUDKKJMTEH-QGZVFWFLSA-N 1 1 331.441 2.669 40 0 EFABMO Cn1cc(-c2ncnc3c2CC[N@@H+](Cc2ccsc2)CC3)cn1 ZINC000096255188 473367042 /nfs/dbraw/zinc/36/70/42/473367042.db2.gz SNVZHYQLVFXWAI-UHFFFAOYSA-N 1 1 325.441 2.539 40 0 EFABMO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(NC(=O)c3cccc(F)c3)C2)n1 ZINC000096248963 473364245 /nfs/dbraw/zinc/36/42/45/473364245.db2.gz CUNRKEOAHOBERQ-KXBFYZLASA-N 1 1 325.387 2.533 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)c3cccc(F)c3)C2)n1 ZINC000096248963 473364248 /nfs/dbraw/zinc/36/42/48/473364248.db2.gz CUNRKEOAHOBERQ-KXBFYZLASA-N 1 1 325.387 2.533 40 0 EFABMO CC(C)[N@H+]1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 ZINC000096249583 473364956 /nfs/dbraw/zinc/36/49/56/473364956.db2.gz PAVIDHBXZBCYFH-RTBURBONSA-N 1 1 330.472 2.577 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096250038 473365271 /nfs/dbraw/zinc/36/52/71/473365271.db2.gz XFXMDVGHRVWYCK-YTQUADARSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)c1 ZINC000096250038 473365279 /nfs/dbraw/zinc/36/52/79/473365279.db2.gz XFXMDVGHRVWYCK-YTQUADARSA-N 1 1 328.412 2.871 40 0 EFABMO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccoc4)CC[C@@H]32)cs1 ZINC000096249400 473365506 /nfs/dbraw/zinc/36/55/06/473365506.db2.gz AQIJKKNHIMJDJT-ZWKOTPCHSA-N 1 1 347.484 2.910 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC000096255336 473366514 /nfs/dbraw/zinc/36/65/14/473366514.db2.gz DJVKNSFFRAKLQG-UHFFFAOYSA-N 1 1 325.441 2.539 40 0 EFABMO Cn1ccnc1C[N@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC000096255336 473366521 /nfs/dbraw/zinc/36/65/21/473366521.db2.gz DJVKNSFFRAKLQG-UHFFFAOYSA-N 1 1 325.441 2.539 40 0 EFABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1C ZINC000096261575 473369755 /nfs/dbraw/zinc/36/97/55/473369755.db2.gz XUOHONRZROLTKM-SIXWZSSISA-N 1 1 329.419 2.687 40 0 EFABMO COc1ccccc1CNC1CC[NH+](CCc2ccncc2)CC1 ZINC000096402785 473379033 /nfs/dbraw/zinc/37/90/33/473379033.db2.gz JVYQIZKJQPSGPF-UHFFFAOYSA-N 1 1 325.456 2.887 40 0 EFABMO Cc1cccc(N2CCC(NC(=O)N[C@@H](C)COCC(C)C)CC2)[nH+]1 ZINC000096408852 473386374 /nfs/dbraw/zinc/38/63/74/473386374.db2.gz LXLZRLFTBOVDFC-INIZCTEOSA-N 1 1 348.491 2.719 40 0 EFABMO COc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000084090363 473388907 /nfs/dbraw/zinc/38/89/07/473388907.db2.gz QFJNPEUQNWGCFV-HOCLYGCPSA-N 1 1 329.437 2.622 40 0 EFABMO COc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000084090363 473388913 /nfs/dbraw/zinc/38/89/13/473388913.db2.gz QFJNPEUQNWGCFV-HOCLYGCPSA-N 1 1 329.437 2.622 40 0 EFABMO CCC[N@@H+]1C[C@H](CS(C)(=O)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834038 471523130 /nfs/dbraw/zinc/52/31/30/471523130.db2.gz BRFHHAXHZFOBNY-RPVQJOFSSA-N 1 1 346.496 2.953 40 0 EFABMO CCC[N@H+]1C[C@H](CS(C)(=O)=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000005834038 471523136 /nfs/dbraw/zinc/52/31/36/471523136.db2.gz BRFHHAXHZFOBNY-RPVQJOFSSA-N 1 1 346.496 2.953 40 0 EFABMO OCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1Cl ZINC000006495900 471547437 /nfs/dbraw/zinc/54/74/37/471547437.db2.gz CGMKQAKELINUJV-MRXNPFEDSA-N 1 1 335.831 2.574 40 0 EFABMO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007664700 471628678 /nfs/dbraw/zinc/62/86/78/471628678.db2.gz RURLKMBNJNAFPD-CQSZACIVSA-N 1 1 338.407 2.825 40 0 EFABMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000007664700 471628687 /nfs/dbraw/zinc/62/86/87/471628687.db2.gz RURLKMBNJNAFPD-CQSZACIVSA-N 1 1 338.407 2.825 40 0 EFABMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000007811988 471639088 /nfs/dbraw/zinc/63/90/88/471639088.db2.gz DGAWJMLENWNHCW-RYUDHWBXSA-N 1 1 349.500 2.642 40 0 EFABMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266798 471676534 /nfs/dbraw/zinc/67/65/34/471676534.db2.gz KNUMYPWPQPYLBT-OFQRWUPVSA-N 1 1 329.444 2.625 40 0 EFABMO COc1ccc(C[N@@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)cc1OC ZINC000012187324 471767882 /nfs/dbraw/zinc/76/78/82/471767882.db2.gz LAAMITULMIWZRT-QGZVFWFLSA-N 1 1 345.443 2.619 40 0 EFABMO COc1ccc(C[N@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)cc1OC ZINC000012187324 471767885 /nfs/dbraw/zinc/76/78/85/471767885.db2.gz LAAMITULMIWZRT-QGZVFWFLSA-N 1 1 345.443 2.619 40 0 EFABMO CCc1ccc([C@@H](CNS(=O)(=O)c2cccs2)[NH+](C)C)cc1 ZINC000012916005 471805125 /nfs/dbraw/zinc/80/51/25/471805125.db2.gz HVVUDVREMFRLEX-OAHLLOKOSA-N 1 1 338.498 2.892 40 0 EFABMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000013693504 471838430 /nfs/dbraw/zinc/83/84/30/471838430.db2.gz XZMSJHYNTBOXFH-UHFFFAOYSA-N 1 1 339.226 2.689 40 0 EFABMO CC(C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000013965093 471846282 /nfs/dbraw/zinc/84/62/82/471846282.db2.gz UWPCBXKQHMOXOP-OAHLLOKOSA-N 1 1 325.840 2.818 40 0 EFABMO CC(C)[C@H](CNC(=O)Nc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000013965095 471847374 /nfs/dbraw/zinc/84/73/74/471847374.db2.gz UWPCBXKQHMOXOP-HNNXBMFYSA-N 1 1 325.840 2.818 40 0 EFABMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cccs1 ZINC000017178581 471958958 /nfs/dbraw/zinc/95/89/58/471958958.db2.gz LYDUSDXRLKSALW-MRXNPFEDSA-N 1 1 330.453 2.942 40 0 EFABMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cccs1 ZINC000017178581 471958963 /nfs/dbraw/zinc/95/89/63/471958963.db2.gz LYDUSDXRLKSALW-MRXNPFEDSA-N 1 1 330.453 2.942 40 0 EFABMO O=C(Cc1ccccc1F)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217546 471973847 /nfs/dbraw/zinc/97/38/47/471973847.db2.gz IGBNTAYXDZMRLV-UHFFFAOYSA-N 1 1 342.414 2.517 40 0 EFABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@@H+](CC4CC4)[C@@H]32)cc1 ZINC000019019342 471976527 /nfs/dbraw/zinc/97/65/27/471976527.db2.gz JJEHMBVARFURHI-VAMGGRTRSA-N 1 1 328.456 2.884 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@H]3CCc4nnc(-c5ccncc5)n4[C@H]3C2)n1 ZINC000019236339 471978620 /nfs/dbraw/zinc/97/86/20/471978620.db2.gz QVYXXUVPMZAIRF-AEFFLSMTSA-N 1 1 346.438 2.663 40 0 EFABMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000019456966 471979926 /nfs/dbraw/zinc/97/99/26/471979926.db2.gz JSTJPAHZTPPKFI-INIZCTEOSA-N 1 1 325.460 2.925 40 0 EFABMO c1ccc([C@H]2CCC[N@H+](Cc3cnc(N4CCOCC4)nc3)C2)cc1 ZINC000019369963 471980093 /nfs/dbraw/zinc/98/00/93/471980093.db2.gz VDAIANPEOGZTFZ-IBGZPJMESA-N 1 1 338.455 2.693 40 0 EFABMO O=C1NC[C@]2(CCC[N@@H+](Cc3ccccc3F)C2)Oc2ccccc21 ZINC000019349070 471980455 /nfs/dbraw/zinc/98/04/55/471980455.db2.gz IZMITGYQLFKWBK-FQEVSTJZSA-N 1 1 340.398 2.983 40 0 EFABMO O=C1NC[C@]2(CCC[N@H+](Cc3ccccc3F)C2)Oc2ccccc21 ZINC000019349070 471980460 /nfs/dbraw/zinc/98/04/60/471980460.db2.gz IZMITGYQLFKWBK-FQEVSTJZSA-N 1 1 340.398 2.983 40 0 EFABMO CC[N@@H+](C)[C@H]1CN(Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704019 471982947 /nfs/dbraw/zinc/98/29/47/471982947.db2.gz ADCYZWCXILNYCH-QGZVFWFLSA-N 1 1 331.508 2.772 40 0 EFABMO CCN(C)[C@H]1C[N@H+](Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704019 471982953 /nfs/dbraw/zinc/98/29/53/471982953.db2.gz ADCYZWCXILNYCH-QGZVFWFLSA-N 1 1 331.508 2.772 40 0 EFABMO CCN(C)[C@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)C2(C1)CCCCC2 ZINC000019704019 471982956 /nfs/dbraw/zinc/98/29/56/471982956.db2.gz ADCYZWCXILNYCH-QGZVFWFLSA-N 1 1 331.508 2.772 40 0 EFABMO Cc1nc([C@H]2CCCC[N@H+]2C2CCOCC2)nc2c1CCCN2C ZINC000019706227 471983420 /nfs/dbraw/zinc/98/34/20/471983420.db2.gz CLNSAMPCMANAGO-QGZVFWFLSA-N 1 1 330.476 2.873 40 0 EFABMO C[N@H+]1CC[C@@H]2[C@H]1CCCCN2C(=O)c1n[nH]c2c1CCCCCC2 ZINC000019712547 471985187 /nfs/dbraw/zinc/98/51/87/471985187.db2.gz WOQASBCZRBTGPN-IAGOWNOFSA-N 1 1 330.476 2.768 40 0 EFABMO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3ccccc3F)C2=O)cc1 ZINC000033932253 471988208 /nfs/dbraw/zinc/98/82/08/471988208.db2.gz SXNDTBMRJSRBQX-QGZVFWFLSA-N 1 1 342.370 2.646 40 0 EFABMO C/C=C1/C[N@@H+]2CC[C@]34c5cc(O)ccc5NC3=C(C(=O)OC)[C@H]1C[C@H]24 ZINC000053275900 471992042 /nfs/dbraw/zinc/99/20/42/471992042.db2.gz BVYFBTHLXBZJTR-ZQUMFQRDSA-N 1 1 338.407 2.537 40 0 EFABMO CC[NH+]1CCN([C@H](c2cccs2)c2nnnn2C(C)(C)CC)CC1 ZINC000035310861 471995599 /nfs/dbraw/zinc/99/55/99/471995599.db2.gz AHUVTIIOAFOFCO-OAHLLOKOSA-N 1 1 348.520 2.607 40 0 EFABMO CC(C)[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000041869244 472092133 /nfs/dbraw/zinc/09/21/33/472092133.db2.gz PPNFQKPFWLDXLL-HNNXBMFYSA-N 1 1 344.377 2.792 40 0 EFABMO COC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000042567141 472146588 /nfs/dbraw/zinc/14/65/88/472146588.db2.gz CWDRWGBOYFEVCX-SNVBAGLBSA-N 1 1 337.420 2.873 40 0 EFABMO CC[N@@H+](C[C@H](O)COCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000027754555 472194297 /nfs/dbraw/zinc/19/42/97/472194297.db2.gz LOMPITTUNWDTCD-KRWDZBQOSA-N 1 1 335.444 2.947 40 0 EFABMO COc1cccc([C@@H](C)CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000084578494 472194840 /nfs/dbraw/zinc/19/48/40/472194840.db2.gz YZKYUJSSIZDCMI-LPHOPBHVSA-N 1 1 346.471 2.512 40 0 EFABMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075839147 472206156 /nfs/dbraw/zinc/20/61/56/472206156.db2.gz XXXYRKXRNONTEG-SWLSCSKDSA-N 1 1 343.393 2.957 40 0 EFABMO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000075839147 472206159 /nfs/dbraw/zinc/20/61/59/472206159.db2.gz XXXYRKXRNONTEG-SWLSCSKDSA-N 1 1 343.393 2.957 40 0 EFABMO Cc1nc([C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C(C)C)n[nH]1 ZINC000085357181 472237260 /nfs/dbraw/zinc/23/72/60/472237260.db2.gz OYSFZLGLJNGLCF-OAHLLOKOSA-N 1 1 330.436 2.694 40 0 EFABMO Cc1[nH+]ccn1CC1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000085436377 472247983 /nfs/dbraw/zinc/24/79/83/472247983.db2.gz XESGQGLHRVWOGM-UHFFFAOYSA-N 1 1 347.484 2.909 40 0 EFABMO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CCOc3ccccc32)C[C@H](C)O1 ZINC000085457821 472250574 /nfs/dbraw/zinc/25/05/74/472250574.db2.gz OORQTFXGOOOKQX-SOLBZPMBSA-N 1 1 346.471 2.558 40 0 EFABMO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074863 472262284 /nfs/dbraw/zinc/26/22/84/472262284.db2.gz QQRXNEXTBRKGSH-OALUTQOASA-N 1 1 349.438 2.750 40 0 EFABMO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074863 472262288 /nfs/dbraw/zinc/26/22/88/472262288.db2.gz QQRXNEXTBRKGSH-OALUTQOASA-N 1 1 349.438 2.750 40 0 EFABMO CCn1nc(C)cc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000076388909 472336629 /nfs/dbraw/zinc/33/66/29/472336629.db2.gz GLBNDSQBTKFOAO-QGZVFWFLSA-N 1 1 340.471 2.948 40 0 EFABMO COc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000044888947 472347347 /nfs/dbraw/zinc/34/73/47/472347347.db2.gz UBXCSAGJDDSZDS-INIZCTEOSA-N 1 1 340.423 2.708 40 0 EFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000030940964 472355366 /nfs/dbraw/zinc/35/53/66/472355366.db2.gz OXSYKWXLKNFDET-UHFFFAOYSA-N 1 1 346.390 2.839 40 0 EFABMO COC(=O)c1cc(C[NH+]2CCC(c3noc(C)n3)CC2)c(C)s1 ZINC000089122834 472388406 /nfs/dbraw/zinc/38/84/06/472388406.db2.gz NIMQDFHKJYEEAF-UHFFFAOYSA-N 1 1 335.429 2.914 40 0 EFABMO COc1cccc(C(=O)N2CCCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000097096678 472445217 /nfs/dbraw/zinc/44/52/17/472445217.db2.gz YDMPZRYFRXXWET-UHFFFAOYSA-N 1 1 325.412 2.751 40 0 EFABMO O=C(CC[NH+]1CCN(CCc2ccccc2)CC1)NC1CCCCC1 ZINC000032870932 472475498 /nfs/dbraw/zinc/47/54/98/472475498.db2.gz ABBWBVGEDZULFF-UHFFFAOYSA-N 1 1 343.515 2.686 40 0 EFABMO CC(=O)N1CC[NH+](Cc2ccc(N[C@H]3CCCSC3)cc2)CC1 ZINC000097371110 472491901 /nfs/dbraw/zinc/49/19/01/472491901.db2.gz VBTXYBBDXUVYKY-SFHVURJKSA-N 1 1 333.501 2.658 40 0 EFABMO C[N@@H+](CCc1nnc(N)s1)Cc1cc(Br)cs1 ZINC000097373520 472493853 /nfs/dbraw/zinc/49/38/53/472493853.db2.gz ACBVXHOPCIAMGS-UHFFFAOYSA-N 1 1 333.280 2.619 40 0 EFABMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(Br)c(F)c1 ZINC000071190461 472544595 /nfs/dbraw/zinc/54/45/95/472544595.db2.gz KHFSWFDYLMPZRV-JTQLQIEISA-N 1 1 329.213 2.612 40 0 EFABMO COc1cccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)c1 ZINC000072227295 472634480 /nfs/dbraw/zinc/63/44/80/472634480.db2.gz MLOAGBAMFDTZOU-GJZGRUSLSA-N 1 1 347.212 2.873 40 0 EFABMO COc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1 ZINC000072227142 472634832 /nfs/dbraw/zinc/63/48/32/472634832.db2.gz HXQJMUKTDNARAQ-LSDHHAIUSA-N 1 1 347.212 2.873 40 0 EFABMO CCc1ccc(N2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000072228010 472635780 /nfs/dbraw/zinc/63/57/80/472635780.db2.gz IUTPTDDYDSFIBX-ZWKOTPCHSA-N 1 1 326.396 2.681 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393096 472662833 /nfs/dbraw/zinc/66/28/33/472662833.db2.gz RSAXUCTYHLKSNZ-INIZCTEOSA-N 1 1 347.422 2.607 40 0 EFABMO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072355620 472663388 /nfs/dbraw/zinc/66/33/88/472663388.db2.gz VBBVEEKXZQIWBY-INIZCTEOSA-N 1 1 327.432 2.541 40 0 EFABMO CCOc1cc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1OC ZINC000105005417 472712663 /nfs/dbraw/zinc/71/26/63/472712663.db2.gz GEQFXOOHMXATGN-OAHLLOKOSA-N 1 1 333.432 2.796 40 0 EFABMO O=c1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccccc2)nc2ccccn12 ZINC000072867382 472731182 /nfs/dbraw/zinc/73/11/82/472731182.db2.gz VEOCNSWWVMSCTL-MOPGFXCFSA-N 1 1 349.434 2.783 40 0 EFABMO COC(=O)c1c(NC(=O)[C@@H]2CCC[N@@H+](C)C2)sc2c1CCCC2 ZINC000078578536 472736859 /nfs/dbraw/zinc/73/68/59/472736859.db2.gz XMUDQGQWAITROE-LLVKDONJSA-N 1 1 336.457 2.694 40 0 EFABMO CCc1ncsc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000157687834 472848590 /nfs/dbraw/zinc/84/85/90/472848590.db2.gz DQLXYBBHHLTIJL-OAHLLOKOSA-N 1 1 345.468 2.935 40 0 EFABMO CCc1ncsc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000157687834 472848594 /nfs/dbraw/zinc/84/85/94/472848594.db2.gz DQLXYBBHHLTIJL-OAHLLOKOSA-N 1 1 345.468 2.935 40 0 EFABMO COC(=O)c1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000048326314 472857765 /nfs/dbraw/zinc/85/77/65/472857765.db2.gz ORKKBJFDLPYQPL-KGLIPLIRSA-N 1 1 333.432 2.715 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000073743039 472866562 /nfs/dbraw/zinc/86/65/62/472866562.db2.gz IOUWOMBISMTJLQ-LLVKDONJSA-N 1 1 344.242 2.532 40 0 EFABMO O=C(NCc1cccs1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccco2)O1 ZINC000107207898 472933668 /nfs/dbraw/zinc/93/36/68/472933668.db2.gz HUJYXOGRZGHFNK-BRWVUGGUSA-N 1 1 346.452 2.779 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000107228713 472934839 /nfs/dbraw/zinc/93/48/39/472934839.db2.gz XJWCKTVSHCYCHU-MJGOQNOKSA-N 1 1 342.418 2.851 40 0 EFABMO Fc1ccc(C[N@H+]2CC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)cc1 ZINC000107226622 472935007 /nfs/dbraw/zinc/93/50/07/472935007.db2.gz FLEVCERPNJKUPS-AEFFLSMTSA-N 1 1 346.381 2.600 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1 ZINC000107226219 472935169 /nfs/dbraw/zinc/93/51/69/472935169.db2.gz SGPXYXMELVKMCZ-RDTXWAMCSA-N 1 1 346.406 2.671 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C[C@@H](Nc3ccccc3)CO2)C1 ZINC000107228309 472935322 /nfs/dbraw/zinc/93/53/22/472935322.db2.gz QVYJAAIUHHELSC-IEBWSBKVSA-N 1 1 326.444 2.656 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@@]2(C[C@@H](Nc3ccccc3)CO2)C1 ZINC000107228309 472935329 /nfs/dbraw/zinc/93/53/29/472935329.db2.gz QVYJAAIUHHELSC-IEBWSBKVSA-N 1 1 326.444 2.656 40 0 EFABMO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)n1 ZINC000107255223 472936435 /nfs/dbraw/zinc/93/64/35/472936435.db2.gz SVYFEFFWIBHZCO-UXHICEINSA-N 1 1 338.455 2.655 40 0 EFABMO c1csc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3CNc2ncccn2)c1 ZINC000107257123 472936821 /nfs/dbraw/zinc/93/68/21/472936821.db2.gz VFJWLLKCEJOQGG-IMJJTQAJSA-N 1 1 330.457 2.630 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3CNc2ncccn2)c1 ZINC000107257123 472936825 /nfs/dbraw/zinc/93/68/25/472936825.db2.gz VFJWLLKCEJOQGG-IMJJTQAJSA-N 1 1 330.457 2.630 40 0 EFABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](CC(=O)Nc4cccnc4)[C@@H]3C2)cc1 ZINC000107746016 472979297 /nfs/dbraw/zinc/97/92/97/472979297.db2.gz XXCBJADUKRDHQI-REPLKXPHSA-N 1 1 337.423 2.797 40 0 EFABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000107731474 472980621 /nfs/dbraw/zinc/98/06/21/472980621.db2.gz CCTBFLIAOOSLLU-VQIMIIECSA-N 1 1 342.443 2.638 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532088 473035722 /nfs/dbraw/zinc/03/57/22/473035722.db2.gz LOQWFVZBCMTYCW-YJBOKZPZSA-N 1 1 349.425 2.860 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000108531096 473035765 /nfs/dbraw/zinc/03/57/65/473035765.db2.gz BFHLDJFMYZFNKP-AEFFLSMTSA-N 1 1 349.425 2.988 40 0 EFABMO Cc1csc(C[C@H]2OC[C@H]3C[N@H+](Cc4cc(C)on4)CC[C@H]32)n1 ZINC000108526471 473036082 /nfs/dbraw/zinc/03/60/82/473036082.db2.gz IGCMULJHLVYSND-FVQBIDKESA-N 1 1 333.457 2.828 40 0 EFABMO Cc1csc(C[C@H]2OC[C@H]3C[N@@H+](Cc4cc(C)on4)CC[C@H]32)n1 ZINC000108526471 473036086 /nfs/dbraw/zinc/03/60/86/473036086.db2.gz IGCMULJHLVYSND-FVQBIDKESA-N 1 1 333.457 2.828 40 0 EFABMO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccncc1)C2)N1CCCCO1 ZINC000108530946 473036099 /nfs/dbraw/zinc/03/60/99/473036099.db2.gz MBKWECXOKPHPBI-IEBWSBKVSA-N 1 1 329.444 2.628 40 0 EFABMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000109047931 473076139 /nfs/dbraw/zinc/07/61/39/473076139.db2.gz TXXIQJMGQHYJBI-MJBXVCDLSA-N 1 1 333.432 2.903 40 0 EFABMO C[N@H+]1CCC[C@H](CN[C@@H](C(N)=O)c2ccccc2)[C@H]1c1cccs1 ZINC000110636792 473167584 /nfs/dbraw/zinc/16/75/84/473167584.db2.gz MUAFWYMDBAZTJO-NXHRZFHOSA-N 1 1 343.496 2.947 40 0 EFABMO C[C@H](C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCSCC1 ZINC000110692911 473171289 /nfs/dbraw/zinc/17/12/89/473171289.db2.gz CKAAUSZZOWAVHS-JFIYKMOQSA-N 1 1 348.512 2.708 40 0 EFABMO Cc1nc(-c2cccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c2)no1 ZINC000096423592 473401414 /nfs/dbraw/zinc/40/14/14/473401414.db2.gz WFOFIQAWTKUISI-AWEZNQCLSA-N 1 1 342.443 2.897 40 0 EFABMO C[C@H](c1cccnc1)[NH+]1CCN(Cc2nc3c(cccc3F)[nH]2)CC1 ZINC000096424285 473403170 /nfs/dbraw/zinc/40/31/70/473403170.db2.gz PKJMVRLCRXCDOI-CQSZACIVSA-N 1 1 339.418 2.976 40 0 EFABMO COc1cccc([C@@H](O)C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000096424337 473403184 /nfs/dbraw/zinc/40/31/84/473403184.db2.gz DLKZVYJPKOMDIT-UZLBHIALSA-N 1 1 341.455 2.502 40 0 EFABMO C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000096424638 473403769 /nfs/dbraw/zinc/40/37/69/473403769.db2.gz MGFYIDWVEHDCCG-GOSISDBHSA-N 1 1 325.456 2.805 40 0 EFABMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430958 473409337 /nfs/dbraw/zinc/40/93/37/473409337.db2.gz LPRGMBQYWCYVBJ-HNNXBMFYSA-N 1 1 334.435 2.824 40 0 EFABMO Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)CCC(C)C)CC1 ZINC000096435744 473415536 /nfs/dbraw/zinc/41/55/36/473415536.db2.gz BCLPHHNKFAQHHS-UHFFFAOYSA-N 1 1 345.487 2.904 40 0 EFABMO CC(C)c1n[nH]c(NC(=O)c2oc3ccccc3c2C[NH+](C)C)n1 ZINC000096436270 473415619 /nfs/dbraw/zinc/41/56/19/473415619.db2.gz FYWMPJDDSXJABZ-UHFFFAOYSA-N 1 1 327.388 2.988 40 0 EFABMO Cc1cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC000096435934 473415700 /nfs/dbraw/zinc/41/57/00/473415700.db2.gz ZPFSZPLSFBSUMB-GOSISDBHSA-N 1 1 325.412 2.620 40 0 EFABMO Cc1cc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC000096435934 473415705 /nfs/dbraw/zinc/41/57/05/473415705.db2.gz ZPFSZPLSFBSUMB-GOSISDBHSA-N 1 1 325.412 2.620 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000096440796 473419287 /nfs/dbraw/zinc/41/92/87/473419287.db2.gz FOSYGQLBEKXMCV-RTBURBONSA-N 1 1 347.478 2.606 40 0 EFABMO Cc1ccc(C)c([C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000096441426 473419938 /nfs/dbraw/zinc/41/99/38/473419938.db2.gz JULYSHLLHHODDO-PKOBYXMFSA-N 1 1 330.472 2.671 40 0 EFABMO Cc1noc(-c2cccnc2N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000096444384 473422118 /nfs/dbraw/zinc/42/21/18/473422118.db2.gz JXZIKVZGCRRZSF-CABCVRRESA-N 1 1 327.432 2.892 40 0 EFABMO C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000096445757 473423827 /nfs/dbraw/zinc/42/38/27/473423827.db2.gz FKPGJQKPCIHSAO-KUHUBIRLSA-N 1 1 327.403 2.920 40 0 EFABMO C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)[C@@H]1c1cccc(F)c1 ZINC000096445757 473423831 /nfs/dbraw/zinc/42/38/31/473423831.db2.gz FKPGJQKPCIHSAO-KUHUBIRLSA-N 1 1 327.403 2.920 40 0 EFABMO COc1ccc(C(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000096453995 473429686 /nfs/dbraw/zinc/42/96/86/473429686.db2.gz NSAJETPSQAWYDL-UHFFFAOYSA-N 1 1 331.803 2.706 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccnc(F)c1 ZINC000096454425 473430152 /nfs/dbraw/zinc/43/01/52/473430152.db2.gz YCUIMVLIRQESNB-PBHICJAKSA-N 1 1 327.403 2.861 40 0 EFABMO Cc1cc(N2CCC(NC(=O)c3ccc(Cl)cn3)CC2)nc(C)[nH+]1 ZINC000096454896 473430581 /nfs/dbraw/zinc/43/05/81/473430581.db2.gz HXOAZCQMIMYKAY-UHFFFAOYSA-N 1 1 345.834 2.541 40 0 EFABMO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ncncc1Cl ZINC000096454924 473430762 /nfs/dbraw/zinc/43/07/62/473430762.db2.gz FOKBLKPAMGFSAB-OAHLLOKOSA-N 1 1 344.846 2.915 40 0 EFABMO CC[C@@H](C)NC(=O)c1cccc(CNc2nc(N(C)C)cc[nH+]2)c1 ZINC000096482691 473442626 /nfs/dbraw/zinc/44/26/26/473442626.db2.gz ZGDFAMQUQJXCBA-CYBMUJFWSA-N 1 1 327.432 2.683 40 0 EFABMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCCN4CCOCC4)C3)nc2c1 ZINC000096490636 473445433 /nfs/dbraw/zinc/44/54/33/473445433.db2.gz JXIDMRVLURIHIR-QGZVFWFLSA-N 1 1 342.487 2.773 40 0 EFABMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCCN4CCOCC4)C3)[nH]c2c1 ZINC000096490636 473445439 /nfs/dbraw/zinc/44/54/39/473445439.db2.gz JXIDMRVLURIHIR-QGZVFWFLSA-N 1 1 342.487 2.773 40 0 EFABMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCCN4CCOCC4)C3)[nH]c2c1 ZINC000096490636 473445446 /nfs/dbraw/zinc/44/54/46/473445446.db2.gz JXIDMRVLURIHIR-QGZVFWFLSA-N 1 1 342.487 2.773 40 0 EFABMO CC(C)[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499588 473451238 /nfs/dbraw/zinc/45/12/38/473451238.db2.gz AIVDXXROGHJLOH-AEFFLSMTSA-N 1 1 348.397 2.571 40 0 EFABMO CC(C)[N@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000096499588 473451245 /nfs/dbraw/zinc/45/12/45/473451245.db2.gz AIVDXXROGHJLOH-AEFFLSMTSA-N 1 1 348.397 2.571 40 0 EFABMO C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096500862 473452394 /nfs/dbraw/zinc/45/23/94/473452394.db2.gz CPOZXWSTQPAXDA-IPELMVKDSA-N 1 1 345.487 2.631 40 0 EFABMO Cn1cnnc1C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191246544 473517448 /nfs/dbraw/zinc/51/74/48/473517448.db2.gz IDROFLKCBUWTME-UHFFFAOYSA-N 1 1 325.210 2.550 40 0 EFABMO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1F ZINC000126675867 473536463 /nfs/dbraw/zinc/53/64/63/473536463.db2.gz GKFOQBYFEZDCGA-VIFPVBQESA-N 1 1 338.242 2.674 40 0 EFABMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000192067576 473620570 /nfs/dbraw/zinc/62/05/70/473620570.db2.gz ZZLFYXWBAQBSSA-RBUKOAKNSA-N 1 1 327.428 2.561 40 0 EFABMO COc1cc2c(cc1C[NH2+][C@H](c1nccn1C)C1CC1)O[C@H](C)C2 ZINC000127560697 473626216 /nfs/dbraw/zinc/62/62/16/473626216.db2.gz JMVJGYOMEVMVES-XIKOKIGWSA-N 1 1 327.428 2.993 40 0 EFABMO CCCn1c(C)nnc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192145269 473635785 /nfs/dbraw/zinc/63/57/85/473635785.db2.gz UXLDIYTUBFXJAS-NVXWUHKLSA-N 1 1 336.386 2.895 40 0 EFABMO CCCn1c(C)nnc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192145280 473636993 /nfs/dbraw/zinc/63/69/93/473636993.db2.gz UXLDIYTUBFXJAS-WBVHZDCISA-N 1 1 336.386 2.895 40 0 EFABMO CN(C)c1noc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000192747962 473718561 /nfs/dbraw/zinc/71/85/61/473718561.db2.gz ICSVNDRLLOLNNP-LBPRGKRZSA-N 1 1 347.488 2.851 40 0 EFABMO CN(C)c1noc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000192747962 473718566 /nfs/dbraw/zinc/71/85/66/473718566.db2.gz ICSVNDRLLOLNNP-LBPRGKRZSA-N 1 1 347.488 2.851 40 0 EFABMO COC(=O)[C@@H](c1ccccc1F)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000245913635 473760995 /nfs/dbraw/zinc/76/09/95/473760995.db2.gz RPDBQORYDZWVDK-RDTXWAMCSA-N 1 1 345.418 2.728 40 0 EFABMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000194448382 473899782 /nfs/dbraw/zinc/89/97/82/473899782.db2.gz COWPMABXBYXKIK-GBESFXJTSA-N 1 1 327.472 2.950 40 0 EFABMO COc1cc(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1O ZINC000194973602 473985364 /nfs/dbraw/zinc/98/53/64/473985364.db2.gz YDYQAHFUNRMEHS-UHFFFAOYSA-N 1 1 326.396 2.918 40 0 EFABMO COc1cc(C[N@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1O ZINC000194973602 473985368 /nfs/dbraw/zinc/98/53/68/473985368.db2.gz YDYQAHFUNRMEHS-UHFFFAOYSA-N 1 1 326.396 2.918 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000195278348 474046057 /nfs/dbraw/zinc/04/60/57/474046057.db2.gz HFVBVICJXSMWSQ-INIZCTEOSA-N 1 1 343.475 2.716 40 0 EFABMO COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C ZINC000195549399 474093426 /nfs/dbraw/zinc/09/34/26/474093426.db2.gz GXESMGQYKJWSJG-UKRRQHHQSA-N 1 1 330.384 2.984 40 0 EFABMO COC1CCC([NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000195560450 474096257 /nfs/dbraw/zinc/09/62/57/474096257.db2.gz QQLDRFKPOZDKAC-SOAGJPPSSA-N 1 1 331.504 2.522 40 0 EFABMO Cn1cc([C@@](C)(O)C[NH2+][C@@H](c2ccco2)c2ccc(F)cc2)cn1 ZINC000195560690 474096296 /nfs/dbraw/zinc/09/62/96/474096296.db2.gz FAVPJIYKFPUPLQ-MSOLQXFVSA-N 1 1 329.375 2.739 40 0 EFABMO CC[NH+]1CCN(C[C@@H](C)CNc2cncc(Br)c2)CC1 ZINC000195575056 474099136 /nfs/dbraw/zinc/09/91/36/474099136.db2.gz QGIGPZCZRHLEPW-ZDUSSCGKSA-N 1 1 341.297 2.530 40 0 EFABMO Fc1cc2ncnc(N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)c2cc1F ZINC000247562405 474182612 /nfs/dbraw/zinc/18/26/12/474182612.db2.gz ZEEMXXMUYPRTBB-BNLOLNQZSA-N 1 1 330.382 2.829 40 0 EFABMO C[NH+]1CCN(c2ncc(NC(=O)c3cccc4ccccc43)cn2)CC1 ZINC000224252916 474197320 /nfs/dbraw/zinc/19/73/20/474197320.db2.gz BEWYGZDKPBJTHT-UHFFFAOYSA-N 1 1 347.422 2.634 40 0 EFABMO O[C@@H](Cn1cccn1)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000247754291 474208488 /nfs/dbraw/zinc/20/84/88/474208488.db2.gz CNCVKLULJJGXTR-CVEARBPZSA-N 1 1 337.876 2.688 40 0 EFABMO O[C@@H](Cn1cccn1)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000247754291 474208494 /nfs/dbraw/zinc/20/84/94/474208494.db2.gz CNCVKLULJJGXTR-CVEARBPZSA-N 1 1 337.876 2.688 40 0 EFABMO C[N@H+](CCSC[C@@H]1CCCS(=O)(=O)C1)Cc1ccccc1 ZINC000225445445 474213694 /nfs/dbraw/zinc/21/36/94/474213694.db2.gz QPALDRSAKMTMPX-INIZCTEOSA-N 1 1 327.515 2.676 40 0 EFABMO C[N@@H+](CCSC[C@@H]1CCCS(=O)(=O)C1)Cc1ccccc1 ZINC000225445445 474213702 /nfs/dbraw/zinc/21/37/02/474213702.db2.gz QPALDRSAKMTMPX-INIZCTEOSA-N 1 1 327.515 2.676 40 0 EFABMO O=C1OC[C@@H]2CC[N@@H+](Cc3ccccn3)Cc3ccc(F)cc3N12 ZINC000225484560 474216395 /nfs/dbraw/zinc/21/63/95/474216395.db2.gz IYCNEQVOCWIUIF-INIZCTEOSA-N 1 1 327.359 2.952 40 0 biogenic,in-vitro EFABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccccn3)Cc3ccc(F)cc3N12 ZINC000225484560 474216400 /nfs/dbraw/zinc/21/64/00/474216400.db2.gz IYCNEQVOCWIUIF-INIZCTEOSA-N 1 1 327.359 2.952 40 0 biogenic,in-vitro EFABMO O=C(CC1CC1)NCC[C@@H]1Cn2nccc2C[N@H+](C2CCCC2)C1 ZINC000247865262 474218219 /nfs/dbraw/zinc/21/82/19/474218219.db2.gz OLEDFUOXOGZVCW-INIZCTEOSA-N 1 1 330.476 2.564 40 0 EFABMO C[N@@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccccc1Br ZINC000225528598 474221762 /nfs/dbraw/zinc/22/17/62/474221762.db2.gz IIBPZENTRVRTJU-GFCCVEGCSA-N 1 1 341.249 2.889 40 0 EFABMO c1coc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000247906545 474224062 /nfs/dbraw/zinc/22/40/62/474224062.db2.gz XFXMDVGHRVWYCK-UHOSZYNNSA-N 1 1 328.412 2.871 40 0 EFABMO c1coc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)c1 ZINC000247906545 474224067 /nfs/dbraw/zinc/22/40/67/474224067.db2.gz XFXMDVGHRVWYCK-UHOSZYNNSA-N 1 1 328.412 2.871 40 0 EFABMO C[N@H+]1CC[C@@H](Nc2nccn3c2nnc3C2CC2)[C@@H]1c1ccccc1 ZINC000225599956 474228698 /nfs/dbraw/zinc/22/86/98/474228698.db2.gz PPAIESSKKICYPF-CVEARBPZSA-N 1 1 334.427 2.859 40 0 EFABMO CCCc1occc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000225603174 474229464 /nfs/dbraw/zinc/22/94/64/474229464.db2.gz UOHXOXWHAFNPSV-UHFFFAOYSA-N 1 1 342.439 2.994 40 0 EFABMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COCCOc1ccc(F)cc1 ZINC000226170779 474239656 /nfs/dbraw/zinc/23/96/56/474239656.db2.gz LGEBOWPOLKLAJM-HLLBOEOZSA-N 1 1 325.424 2.845 40 0 EFABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC000248100427 474258993 /nfs/dbraw/zinc/25/89/93/474258993.db2.gz DPJLPRZCEGBGCK-AWEZNQCLSA-N 1 1 336.863 2.913 40 0 EFABMO Cc1cccc(N2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)[nH+]1 ZINC000248109902 474260187 /nfs/dbraw/zinc/26/01/87/474260187.db2.gz QMELDSBRSKNXNZ-GVDBMIGSSA-N 1 1 325.412 2.848 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CCC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]21 ZINC000248154684 474271560 /nfs/dbraw/zinc/27/15/60/474271560.db2.gz YUYIWESOKHMODH-YXJHDRRASA-N 1 1 327.428 2.980 40 0 EFABMO Cc1cc(CN2CCC3(C[N@@H+](C)C[C@H]3COCC3CC3)CC2)no1 ZINC000248158196 474271891 /nfs/dbraw/zinc/27/18/91/474271891.db2.gz WHWWXFOUTRCQFE-KRWDZBQOSA-N 1 1 333.476 2.553 40 0 EFABMO Cc1ccccc1C[NH+]1CC2(C1)C[C@H](Oc1ncccn1)CCO2 ZINC000248169727 474275887 /nfs/dbraw/zinc/27/58/87/474275887.db2.gz VEEDRIIWUURVAF-QGZVFWFLSA-N 1 1 325.412 2.597 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)nn1 ZINC000283060362 474288472 /nfs/dbraw/zinc/28/84/72/474288472.db2.gz JMXPHNOJVKGWKF-IAGOWNOFSA-N 1 1 331.391 2.712 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)nn1 ZINC000283060359 474288672 /nfs/dbraw/zinc/28/86/72/474288672.db2.gz JMXPHNOJVKGWKF-DLBZAZTESA-N 1 1 331.391 2.712 40 0 EFABMO COc1ccc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)nn1 ZINC000283227328 474344718 /nfs/dbraw/zinc/34/47/18/474344718.db2.gz TYUVCSSWBHVCSL-HOTGVXAUSA-N 1 1 331.416 2.947 40 0 EFABMO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176281366 474430402 /nfs/dbraw/zinc/43/04/02/474430402.db2.gz IJJYOVOROGMEQO-MLGOLLRUSA-N 1 1 345.447 2.602 40 0 EFABMO CCC[N@H+](Cc1ccc(OC)nn1)C[C@H]1COc2ccccc2O1 ZINC000283714081 474476415 /nfs/dbraw/zinc/47/64/15/474476415.db2.gz ZVHHVFZIWOZCMJ-HNNXBMFYSA-N 1 1 329.400 2.537 40 0 EFABMO C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(-n2ccnn2)cc1 ZINC000239672795 474547976 /nfs/dbraw/zinc/54/79/76/474547976.db2.gz BVJIRSPEUWAQDL-OAHLLOKOSA-N 1 1 345.410 2.699 40 0 EFABMO C[C@@]1(CNC(=O)N[C@H]2CC[C@H](O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000249289766 474552449 /nfs/dbraw/zinc/55/24/49/474552449.db2.gz VFGWUMDRYMDIQI-BJLQDIEVSA-N 1 1 345.487 2.644 40 0 EFABMO CC(C)n1nnnc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249285579 474552786 /nfs/dbraw/zinc/55/27/86/474552786.db2.gz LOMOJHHAWGZQQJ-MNZLEMJZSA-N 1 1 342.491 2.500 40 0 EFABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2([NH3+])COC)cc1 ZINC000242495742 474559786 /nfs/dbraw/zinc/55/97/86/474559786.db2.gz GPCJZZFTFGODSG-QRVBRYPASA-N 1 1 345.464 2.533 40 0 EFABMO CC(C)[N@H+](CCN)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242575121 474559966 /nfs/dbraw/zinc/55/99/66/474559966.db2.gz NSNJJHAYNYRHKN-MSOLQXFVSA-N 1 1 333.476 2.893 40 0 EFABMO CC(C)[N@@H+](CCN)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242575121 474559970 /nfs/dbraw/zinc/55/99/70/474559970.db2.gz NSNJJHAYNYRHKN-MSOLQXFVSA-N 1 1 333.476 2.893 40 0 EFABMO C[C@H](O)[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000245343923 474574673 /nfs/dbraw/zinc/57/46/73/474574673.db2.gz WMLKZBPYNRHQGQ-MKBNYLNASA-N 1 1 340.826 2.677 40 0 EFABMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343882 474574942 /nfs/dbraw/zinc/57/49/42/474574942.db2.gz WGZOUMLDLMNRQY-AYOQOUSVSA-N 1 1 341.455 2.559 40 0 EFABMO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245344176 474575044 /nfs/dbraw/zinc/57/50/44/474575044.db2.gz XXWCEVFUUALOIO-IEZWGBDMSA-N 1 1 338.455 2.794 40 0 EFABMO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000245344179 474575095 /nfs/dbraw/zinc/57/50/95/474575095.db2.gz XXXYRKXRNONTEG-WFASDCNBSA-N 1 1 343.393 2.957 40 0 EFABMO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000245344179 474575101 /nfs/dbraw/zinc/57/51/01/474575101.db2.gz XXXYRKXRNONTEG-WFASDCNBSA-N 1 1 343.393 2.957 40 0 EFABMO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000252003816 474653957 /nfs/dbraw/zinc/65/39/57/474653957.db2.gz NONRBTSBGKEJEK-INIZCTEOSA-N 1 1 345.468 2.963 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)c3cccc(Cl)c3)[C@H]2C1 ZINC000252485827 474671198 /nfs/dbraw/zinc/67/11/98/474671198.db2.gz AUJAZJPXEWMURD-QZWWFDLISA-N 1 1 325.836 2.642 40 0 EFABMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)c3cccc(Cl)c3)[C@H]2C1 ZINC000252485827 474671206 /nfs/dbraw/zinc/67/12/06/474671206.db2.gz AUJAZJPXEWMURD-QZWWFDLISA-N 1 1 325.836 2.642 40 0 EFABMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490338 474675025 /nfs/dbraw/zinc/67/50/25/474675025.db2.gz KPYJNTFBBJAAGH-ARFHVFGLSA-N 1 1 331.522 2.727 40 0 EFABMO Cc1cc(C(=O)N(C)[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000252492108 474677264 /nfs/dbraw/zinc/67/72/64/474677264.db2.gz MDAADYIZLWBMLX-APWZRJJASA-N 1 1 342.439 2.950 40 0 EFABMO Cc1cc(C(=O)N(C)[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000252492108 474677276 /nfs/dbraw/zinc/67/72/76/474677276.db2.gz MDAADYIZLWBMLX-APWZRJJASA-N 1 1 342.439 2.950 40 0 EFABMO Cc1cc(C(=O)N(C)[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000252492109 474677482 /nfs/dbraw/zinc/67/74/82/474677482.db2.gz MDAADYIZLWBMLX-LPHOPBHVSA-N 1 1 342.439 2.950 40 0 EFABMO Cc1cc(C(=O)N(C)[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000252492109 474677493 /nfs/dbraw/zinc/67/74/93/474677493.db2.gz MDAADYIZLWBMLX-LPHOPBHVSA-N 1 1 342.439 2.950 40 0 EFABMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000252539129 474695148 /nfs/dbraw/zinc/69/51/48/474695148.db2.gz NSYMQKMCAVPJLY-QQXKLLMISA-N 1 1 338.536 2.917 40 0 EFABMO C[N@H+]1CC[C@@H](Nc2nccn3c2nnc3C2CC2)[C@H]1c1ccccc1 ZINC000252540591 474696045 /nfs/dbraw/zinc/69/60/45/474696045.db2.gz PPAIESSKKICYPF-HZPDHXFCSA-N 1 1 334.427 2.859 40 0 EFABMO CC[C@H](Cc1ccccc1)N(C)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252581807 474697229 /nfs/dbraw/zinc/69/72/29/474697229.db2.gz MUABDEMJMCWDES-QYZOEREBSA-N 1 1 345.487 2.512 40 0 EFABMO Cc1nnsc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000252572225 474697518 /nfs/dbraw/zinc/69/75/18/474697518.db2.gz YZSFABCRSHPGQK-XJKSGUPXSA-N 1 1 344.484 2.829 40 0 EFABMO CC(C)C[N@H+]1CCN2[C@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 ZINC000253399048 474736539 /nfs/dbraw/zinc/73/65/39/474736539.db2.gz IAVUMGQUCNQDAB-SFHVURJKSA-N 1 1 329.488 2.563 40 0 biogenic,in-vitro EFABMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@H](C)C1 ZINC000253404271 474738614 /nfs/dbraw/zinc/73/86/14/474738614.db2.gz IHMGFIHYGMMVKP-MLGOLLRUSA-N 1 1 334.851 2.790 40 0 EFABMO CCc1ncnc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1F ZINC000253416938 474743272 /nfs/dbraw/zinc/74/32/72/474743272.db2.gz UPZYYAJYQJKHLO-UHFFFAOYSA-N 1 1 330.411 2.666 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)CC(F)(F)F)[C@H](C)C2)s1 ZINC000253419932 474746860 /nfs/dbraw/zinc/74/68/60/474746860.db2.gz SYWVYLUYTKRSJE-BXKDBHETSA-N 1 1 335.395 2.731 40 0 EFABMO Cc1nc2c(cccc2C(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)o1 ZINC000253421134 474748389 /nfs/dbraw/zinc/74/83/89/474748389.db2.gz QTYRRXGJVWCGSA-SJORKVTESA-N 1 1 335.407 2.964 40 0 EFABMO CCc1cc(N2CCC(NC(=O)c3ccoc3C)CC2)nc(C)[nH+]1 ZINC000253426561 474752875 /nfs/dbraw/zinc/75/28/75/474752875.db2.gz SOYHSCCVCCBBER-UHFFFAOYSA-N 1 1 328.416 2.648 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2N1CC1CC1 ZINC000306123870 474806158 /nfs/dbraw/zinc/80/61/58/474806158.db2.gz AZGIQLPHIQRAHG-MOPGFXCFSA-N 1 1 339.414 2.919 40 0 EFABMO CN1c2ccccc2C2(CC[NH+](Cc3ccoc3)CC2)S1(=O)=O ZINC000306126396 474807506 /nfs/dbraw/zinc/80/75/06/474807506.db2.gz DUMDSXUKHFDUML-UHFFFAOYSA-N 1 1 332.425 2.551 40 0 EFABMO O=C(C1CCC1)N1CC2(C1)C[C@@H](COCC1CC1)CC[N@H+]2CC1CC1 ZINC000306134008 474810465 /nfs/dbraw/zinc/81/04/65/474810465.db2.gz NBPZKFNJNOSTQA-SFHVURJKSA-N 1 1 346.515 2.916 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@@H]2C[N@H+](Cc4ccsc4)C[C@@H]2C3)cn1 ZINC000306141490 474811119 /nfs/dbraw/zinc/81/11/19/474811119.db2.gz VXUVCJLCDWCHPP-HOCLYGCPSA-N 1 1 339.468 2.649 40 0 EFABMO CC(C)C[N@H+]1CC[C@@H](c2c3nccnc3sc2C(=O)N(C)C)C1 ZINC000257210588 474924806 /nfs/dbraw/zinc/92/48/06/474924806.db2.gz BVGYULSEHHKQNZ-GFCCVEGCSA-N 1 1 332.473 2.838 40 0 EFABMO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cc(N(C)C)nc(C)n1 ZINC000257214341 474925562 /nfs/dbraw/zinc/92/55/62/474925562.db2.gz CLQODPVAMORVIG-INIZCTEOSA-N 1 1 326.448 2.625 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cc(N(C)C)nc(C)n1 ZINC000257214341 474925566 /nfs/dbraw/zinc/92/55/66/474925566.db2.gz CLQODPVAMORVIG-INIZCTEOSA-N 1 1 326.448 2.625 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)ncn1 ZINC000257279952 474930497 /nfs/dbraw/zinc/93/04/97/474930497.db2.gz OIWRWMYHWOXJOY-AWEZNQCLSA-N 1 1 338.415 2.536 40 0 EFABMO Cc1noc(C)c1-c1cc(C[C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)ncn1 ZINC000257279952 474930504 /nfs/dbraw/zinc/93/05/04/474930504.db2.gz OIWRWMYHWOXJOY-AWEZNQCLSA-N 1 1 338.415 2.536 40 0 EFABMO Cn1ccnc1-c1cncc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257284572 474932700 /nfs/dbraw/zinc/93/27/00/474932700.db2.gz PDFLGZMJLGZHTE-INIZCTEOSA-N 1 1 334.427 2.652 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2ccc3cnn(C)c3n2)C1 ZINC000257291056 474933773 /nfs/dbraw/zinc/93/37/73/474933773.db2.gz QFKQCDGVVFBQFZ-HNNXBMFYSA-N 1 1 336.443 2.785 40 0 EFABMO C[N@@H+](Cc1cccc(OCCO)c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257292244 474936045 /nfs/dbraw/zinc/93/60/45/474936045.db2.gz QKQMIPVXDGFPOO-SFHVURJKSA-N 1 1 341.455 2.554 40 0 EFABMO Cn1ccnc1C(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)C[N@H+]2C ZINC000257298146 474938798 /nfs/dbraw/zinc/93/87/98/474938798.db2.gz RKKCXKLOUHSPJN-BZSNNMDCSA-N 1 1 338.455 2.513 40 0 EFABMO Cc1cccc(N2CCC[C@@H](NC(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257297391 474938933 /nfs/dbraw/zinc/93/89/33/474938933.db2.gz RHBKECDQKICEES-CQSZACIVSA-N 1 1 340.427 2.656 40 0 EFABMO c1nc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)c[nH]1 ZINC000257305753 474943241 /nfs/dbraw/zinc/94/32/41/474943241.db2.gz SRJJWJJKLUSORG-UHFFFAOYSA-N 1 1 335.415 2.718 40 0 EFABMO COCCN1C(=O)CCC[C@H]2C[N@H+](Cc3cccc(OC)c3)CC[C@H]21 ZINC000257306556 474945944 /nfs/dbraw/zinc/94/59/44/474945944.db2.gz SUTCLZIRWLBLJO-PKOBYXMFSA-N 1 1 346.471 2.545 40 0 EFABMO Cc1cnc(N(C)[C@@H]2CC[C@@H]3C[N@H+](Cc4cscn4)C[C@H]23)cn1 ZINC000257307475 474946036 /nfs/dbraw/zinc/94/60/36/474946036.db2.gz SYTONZVXYNFOON-VNQPRFMTSA-N 1 1 329.473 2.588 40 0 EFABMO Cc1cnc(N(C)[C@@H]2CC[C@@H]3C[N@@H+](Cc4cscn4)C[C@H]23)cn1 ZINC000257307475 474946041 /nfs/dbraw/zinc/94/60/41/474946041.db2.gz SYTONZVXYNFOON-VNQPRFMTSA-N 1 1 329.473 2.588 40 0 EFABMO Cn1cncc1C[N@H+]1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257311114 474946822 /nfs/dbraw/zinc/94/68/22/474946822.db2.gz UHZQXDUSNLIXLJ-KRWDZBQOSA-N 1 1 336.439 2.659 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)n1 ZINC000257314728 474948878 /nfs/dbraw/zinc/94/88/78/474948878.db2.gz UYFGLSOKEMJFAV-MRXNPFEDSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1cnc(-c2nccn2C)cn1 ZINC000257317457 474951222 /nfs/dbraw/zinc/95/12/22/474951222.db2.gz VJVBLPKEOBBJMN-OAHLLOKOSA-N 1 1 340.456 2.979 40 0 EFABMO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1cnc(-c2nccn2C)cn1 ZINC000257317457 474951232 /nfs/dbraw/zinc/95/12/32/474951232.db2.gz VJVBLPKEOBBJMN-OAHLLOKOSA-N 1 1 340.456 2.979 40 0 EFABMO Cn1cncc1C[N@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257319360 474951414 /nfs/dbraw/zinc/95/14/14/474951414.db2.gz VSBIRKQOZWNRGD-INIZCTEOSA-N 1 1 325.412 2.857 40 0 EFABMO Cc1nc(C[N@H+]2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)cs1 ZINC000257321633 474952788 /nfs/dbraw/zinc/95/27/88/474952788.db2.gz WCLKTRFFACQYFG-VNQPRFMTSA-N 1 1 329.473 2.588 40 0 EFABMO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321660 474952982 /nfs/dbraw/zinc/95/29/82/474952982.db2.gz WCPVUQYVZXWTJR-INIZCTEOSA-N 1 1 340.431 2.512 40 0 EFABMO Cc1nn(C)c(C)c1C[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321661 474953533 /nfs/dbraw/zinc/95/35/33/474953533.db2.gz WCPVUQYVZXWTJR-MRXNPFEDSA-N 1 1 340.431 2.512 40 0 EFABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2scnc2C)ccn1 ZINC000257325117 474955033 /nfs/dbraw/zinc/95/50/33/474955033.db2.gz WRNOVQJEZNOBTL-MRXNPFEDSA-N 1 1 330.457 2.820 40 0 EFABMO Cc1nn(C)c2nc([C@@H]3CCC[N@@H+](Cc4ccnc(C)n4)C3)ccc12 ZINC000257326537 474955127 /nfs/dbraw/zinc/95/51/27/474955127.db2.gz WXOSVRMLWTVUOO-OAHLLOKOSA-N 1 1 336.443 2.755 40 0 EFABMO COc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)cn1 ZINC000257325333 474955874 /nfs/dbraw/zinc/95/58/74/474955874.db2.gz WSNSSYZAGFJNOC-MRXNPFEDSA-N 1 1 340.427 2.535 40 0 EFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1CCc1ccnc(C)c1 ZINC000257326574 474956181 /nfs/dbraw/zinc/95/61/81/474956181.db2.gz WXRZGNKMKVQONT-KRWDZBQOSA-N 1 1 326.444 2.773 40 0 EFABMO CCc1nc(C)c(C[N@@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)[nH]1 ZINC000257329236 474957123 /nfs/dbraw/zinc/95/71/23/474957123.db2.gz XJAVDPSSBRFSEK-GOSISDBHSA-N 1 1 341.459 2.649 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)[nH]1 ZINC000257329236 474957126 /nfs/dbraw/zinc/95/71/26/474957126.db2.gz XJAVDPSSBRFSEK-GOSISDBHSA-N 1 1 341.459 2.649 40 0 EFABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C1CCC(F)(F)CC1 ZINC000257330517 474957980 /nfs/dbraw/zinc/95/79/80/474957980.db2.gz XOSYPQMWVYVMPL-OAHLLOKOSA-N 1 1 338.398 2.994 40 0 EFABMO Cc1ccsc1C(=O)N1CCC[C@H]1c1cncc(C[NH+](C)C)n1 ZINC000257334368 474959336 /nfs/dbraw/zinc/95/93/36/474959336.db2.gz YFPOGOAPXFOSRU-HNNXBMFYSA-N 1 1 330.457 2.885 40 0 EFABMO Cc1nc(C[NH+]2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)cs1 ZINC000257335534 474961835 /nfs/dbraw/zinc/96/18/35/474961835.db2.gz YKPHNWPXOQPOSD-KRWDZBQOSA-N 1 1 344.484 2.855 40 0 EFABMO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2C(=O)c2ccsc2)n1 ZINC000257340326 474963437 /nfs/dbraw/zinc/96/34/37/474963437.db2.gz ZFNKLVZROZOICQ-HNNXBMFYSA-N 1 1 330.457 2.885 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)c3)C2)cn1 ZINC000257338618 474963623 /nfs/dbraw/zinc/96/36/23/474963623.db2.gz YYEIZIVDHPUWSE-QGZVFWFLSA-N 1 1 349.442 2.728 40 0 EFABMO O=C(NC[C@H]1CCCO1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000260825742 474974014 /nfs/dbraw/zinc/97/40/14/474974014.db2.gz JTRSLFFZYOZOII-DOTOQJQBSA-N 1 1 336.863 2.847 40 0 EFABMO COc1cc(C)c(C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)n1 ZINC000331870226 475440182 /nfs/dbraw/zinc/44/01/82/475440182.db2.gz UPLJYWWKFOWLNY-INIZCTEOSA-N 1 1 341.459 2.598 40 0 EFABMO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3cccs3)C[C@H]21 ZINC000514288637 479021581 /nfs/dbraw/zinc/02/15/81/479021581.db2.gz KFZSYMLTJFWPOK-ZBFHGGJFSA-N 1 1 332.400 2.605 40 0 biogenic,in-vitro EFABMO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3cccs3)C[C@H]21 ZINC000514288637 479021585 /nfs/dbraw/zinc/02/15/85/479021585.db2.gz KFZSYMLTJFWPOK-ZBFHGGJFSA-N 1 1 332.400 2.605 40 0 biogenic,in-vitro EFABMO Cn1nc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc21 ZINC000529522111 479188742 /nfs/dbraw/zinc/18/87/42/479188742.db2.gz YMCBUOVTOYIUBL-CQSZACIVSA-N 1 1 326.444 2.710 40 0 EFABMO C[C@@H]1Cc2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1CC1CC1 ZINC000585097918 479281548 /nfs/dbraw/zinc/28/15/48/479281548.db2.gz PDKUXLMDPJFIRQ-GFCCVEGCSA-N 1 1 347.850 2.562 40 0 EFABMO COCC(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100287 479282604 /nfs/dbraw/zinc/28/26/04/479282604.db2.gz AKYUMNDQLQCHKT-LJQANCHMSA-N 1 1 334.435 2.819 40 0 EFABMO COCC[N@H+]1CC[C@@]12CCCN(C(=O)C1(c3ccc(C)cc3)CC1)C2 ZINC000585101930 479283565 /nfs/dbraw/zinc/28/35/65/479283565.db2.gz LVHPJOIJFUNZHB-HXUWFJFHSA-N 1 1 342.483 2.740 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1CC1CC1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103402 479284102 /nfs/dbraw/zinc/28/41/02/479284102.db2.gz FKAOEVBLBSWVAC-INIZCTEOSA-N 1 1 338.467 2.618 40 0 EFABMO Cc1cccc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC(C)C)C3)C2)c1 ZINC000585103407 479284592 /nfs/dbraw/zinc/28/45/92/479284592.db2.gz BTSDWYXWQPYLNJ-HXUWFJFHSA-N 1 1 330.472 2.702 40 0 EFABMO CC(C)C[N@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585102389 479284701 /nfs/dbraw/zinc/28/47/01/479284701.db2.gz YWQAUYQAPTWUPF-QGZVFWFLSA-N 1 1 334.489 2.752 40 0 EFABMO CC(C)S(=O)(=O)N1CC[C@H]2[C@H](C[N@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107980 479287275 /nfs/dbraw/zinc/28/72/75/479287275.db2.gz PQIXQZHXEFKYGD-NXHRZFHOSA-N 1 1 336.501 2.534 40 0 EFABMO CC(C)CC[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109729 479287308 /nfs/dbraw/zinc/28/73/08/479287308.db2.gz MGBDEJULISGQEP-ULDLNYQNSA-N 1 1 342.483 2.690 40 0 EFABMO CC(C)S(=O)(=O)N1CC[C@@H]2[C@H](C[N@H+]2C[C@@H](C)c2ccccc2)C1 ZINC000585107978 479287535 /nfs/dbraw/zinc/28/75/35/479287535.db2.gz PQIXQZHXEFKYGD-KBAYOESNSA-N 1 1 336.501 2.534 40 0 EFABMO O=C(N1C[C@H]2c3ccccc3[C@H]([NH+]3CCOCC3)[C@H]2C1)C1(F)CCC1 ZINC000585109196 479287601 /nfs/dbraw/zinc/28/76/01/479287601.db2.gz CRTLLYFTEHOVMF-BZSNNMDCSA-N 1 1 344.430 2.508 40 0 EFABMO Cc1[nH+]ccn1CC(=O)NCCc1c[nH]c2cc(F)c(Cl)cc12 ZINC000585124222 479293393 /nfs/dbraw/zinc/29/33/93/479293393.db2.gz HLYFUYZWFYORBA-UHFFFAOYSA-N 1 1 334.782 2.824 40 0 EFABMO c1c[nH]c(C[N@H+]2CCC[C@H](Cc3cc(Nc4ccccn4)ncn3)C2)n1 ZINC000585177445 479301996 /nfs/dbraw/zinc/30/19/96/479301996.db2.gz QGWSUZFOZVSHGS-OAHLLOKOSA-N 1 1 349.442 2.793 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCC[C@H](Cc3cc(Nc4ccccn4)ncn3)C2)n1 ZINC000585177445 479301999 /nfs/dbraw/zinc/30/19/99/479301999.db2.gz QGWSUZFOZVSHGS-OAHLLOKOSA-N 1 1 349.442 2.793 40 0 EFABMO Cc1nccc(C[N@H+]2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)n1 ZINC000585269253 479303445 /nfs/dbraw/zinc/30/34/45/479303445.db2.gz MWSVQIBVEJISTG-QAPCUYQASA-N 1 1 331.847 2.864 40 0 EFABMO COCCOc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OC ZINC000585270376 479303515 /nfs/dbraw/zinc/30/35/15/479303515.db2.gz VPTOKBBZWMZDFV-GOSISDBHSA-N 1 1 345.439 2.886 40 0 EFABMO C[N@H+]1CCN(Cc2cc[nH]n2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261128 479303699 /nfs/dbraw/zinc/30/36/99/479303699.db2.gz GCQSMJIFNTYVJT-INIZCTEOSA-N 1 1 335.455 2.564 40 0 EFABMO CCCc1ncc(C[N@@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585275862 479304547 /nfs/dbraw/zinc/30/45/47/479304547.db2.gz HUDGHNBBYBMFOZ-IEBWSBKVSA-N 1 1 343.446 2.994 40 0 EFABMO CCCc1ncc(C[N@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585275862 479304551 /nfs/dbraw/zinc/30/45/51/479304551.db2.gz HUDGHNBBYBMFOZ-IEBWSBKVSA-N 1 1 343.446 2.994 40 0 EFABMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)[C@H]1Cc1cccc(F)c1 ZINC000585275181 479305192 /nfs/dbraw/zinc/30/51/92/479305192.db2.gz ZELILXQRYHKRLM-PMACEKPBSA-N 1 1 341.430 2.933 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@@H](O)[C@H](Cc3cccc(F)c3)C2)[nH]1 ZINC000585277792 479306840 /nfs/dbraw/zinc/30/68/40/479306840.db2.gz PFUVILQETBRXBX-CRAIPNDOSA-N 1 1 331.435 2.845 40 0 EFABMO O[C@@]1(COc2ccc(F)cc2)COCC[N@@H+](CC2CCCCC2)C1 ZINC000585278118 479306968 /nfs/dbraw/zinc/30/69/68/479306968.db2.gz ZTHWUOSASOCELS-LJQANCHMSA-N 1 1 337.435 2.848 40 0 EFABMO Cc1[nH+]ccn1-c1nc2nonc2nc1Nc1ccccc1Cl ZINC000013233667 534973232 /nfs/dbraw/zinc/97/32/32/534973232.db2.gz LATKOAXIPFPAKF-UHFFFAOYSA-N 1 1 327.735 2.904 40 0 EFABMO C[NH+](C)Cc1c[nH]c([C@H]2CCN(C(=O)c3cccc(Cl)c3)C2)n1 ZINC000257238712 536059693 /nfs/dbraw/zinc/05/96/93/536059693.db2.gz HMEULUBOYHDKOQ-ZDUSSCGKSA-N 1 1 332.835 2.754 40 0 EFABMO C[NH+](C)Cc1cnc([C@H]2CCN(C(=O)c3cccc(Cl)c3)C2)[nH]1 ZINC000257238712 536059698 /nfs/dbraw/zinc/05/96/98/536059698.db2.gz HMEULUBOYHDKOQ-ZDUSSCGKSA-N 1 1 332.835 2.754 40 0 EFABMO CNC(=O)Cc1noc(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)n1 ZINC000242302260 536304938 /nfs/dbraw/zinc/30/49/38/536304938.db2.gz YQWHMRYUGJKCRW-HNNXBMFYSA-N 1 1 342.443 2.552 40 0 EFABMO COc1cc(C)c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(C)n1 ZINC000679770320 549196587 /nfs/dbraw/zinc/19/65/87/549196587.db2.gz NMEGMVZNDKPXNP-HNNXBMFYSA-N 1 1 341.459 2.624 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)N2CCC(F)(F)CC2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595766 1249167077 /nfs/dbraw/zinc/16/70/77/1249167077.db2.gz LRDRPLNKAMOYIM-YCPHGPKFSA-N 1 1 336.382 2.556 40 0 EFABMO CCC([NH3+])CNc1ccnc(-c2cc(-c3cnn(C)c3)ccc2O)n1 ZINC001560404598 1415282050 /nfs/dbraw/zinc/28/20/50/1415282050.db2.gz PQOKXHJUELHYAJ-UHFFFAOYSA-N 1 1 337.407 2.562 40 0 EFABMO CC[NH+]1CCN(C(=O)CCc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000027978893 1099447279 /nfs/dbraw/zinc/44/72/79/1099447279.db2.gz RABIVOXISXLGPY-UHFFFAOYSA-N 1 1 340.471 2.586 40 0 EFABMO Cc1nn(C)cc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000013994431 282294820 /nfs/dbraw/zinc/29/48/20/282294820.db2.gz YOGBRPAIFOGLKY-QGZVFWFLSA-N 1 1 343.427 2.638 40 0 EFABMO Cc1nn(C)cc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1 ZINC000013994431 282294823 /nfs/dbraw/zinc/29/48/23/282294823.db2.gz YOGBRPAIFOGLKY-QGZVFWFLSA-N 1 1 343.427 2.638 40 0 EFABMO COc1cccc(OC)c1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013647903 201905821 /nfs/dbraw/zinc/90/58/21/201905821.db2.gz SJRFRNWQDKSPCX-GASCZTMLSA-N 1 1 334.460 2.802 40 0 EFABMO C[N@H+]1CCC[C@@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1 ZINC000003795847 210075325 /nfs/dbraw/zinc/07/53/25/210075325.db2.gz LPLNSPKKMWHFAU-CYBMUJFWSA-N 1 1 336.395 2.654 40 0 investigational EFABMO COc1ccc(C[N@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)cc1 ZINC000019289387 202003361 /nfs/dbraw/zinc/00/33/61/202003361.db2.gz OAUDZTSYLKDNLP-HNNXBMFYSA-N 1 1 337.427 2.752 40 0 EFABMO NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@@H+](CC2CC2)C1 ZINC000019331698 202003876 /nfs/dbraw/zinc/00/38/76/202003876.db2.gz BHDJNHKPILUUJP-OAQYLSRUSA-N 1 1 335.451 2.879 40 0 EFABMO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1 ZINC000019346440 202005691 /nfs/dbraw/zinc/00/56/91/202005691.db2.gz SHVYXKXDYHVLOR-HTZLVSCSSA-N 1 1 348.450 2.989 40 0 EFABMO O=c1cc([C@H]2CCCC[N@@H+]2Cc2ccccn2)nc(-c2cccnc2)[nH]1 ZINC000019401728 202007804 /nfs/dbraw/zinc/00/78/04/202007804.db2.gz MXUIQLOZSGDMTG-GOSISDBHSA-N 1 1 347.422 2.954 40 0 EFABMO O=c1cc([C@H]2CCCC[N@H+]2Cc2ccccn2)nc(-c2cccnc2)[nH]1 ZINC000019401728 202007807 /nfs/dbraw/zinc/00/78/07/202007807.db2.gz MXUIQLOZSGDMTG-GOSISDBHSA-N 1 1 347.422 2.954 40 0 EFABMO O=c1cc([C@@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000019405857 202006751 /nfs/dbraw/zinc/00/67/51/202006751.db2.gz CAYHPOHBXLBIEM-DOTOQJQBSA-N 1 1 336.439 2.978 40 0 EFABMO O=c1cc([C@H]2CC[N@@H+](C[C@H]3CC=CCC3)C2)nc(-c2ccncc2)[nH]1 ZINC000019405860 202007119 /nfs/dbraw/zinc/00/71/19/202007119.db2.gz CAYHPOHBXLBIEM-RDJZCZTQSA-N 1 1 336.439 2.978 40 0 EFABMO COc1ccc(F)cc1[C@H](O)C[NH+]1CCC(Oc2cccnc2)CC1 ZINC000019559121 202011725 /nfs/dbraw/zinc/01/17/25/202011725.db2.gz HRCRKOJFKJLCFC-GOSISDBHSA-N 1 1 346.402 2.806 40 0 EFABMO C[NH2+]C1CCC2(CC1)CN(Cc1cnc[nH]1)Cc1ccccc1O2 ZINC000019592012 202014693 /nfs/dbraw/zinc/01/46/93/202014693.db2.gz IFUIBUHZFWPTNA-UHFFFAOYSA-N 1 1 326.444 2.705 40 0 EFABMO COc1ccc2[nH]c(-c3cncn3[C@H](C)C[NH+]3CCOCC3)cc2c1 ZINC000019654553 202015174 /nfs/dbraw/zinc/01/51/74/202015174.db2.gz ATJDOQYZPBUATE-CQSZACIVSA-N 1 1 340.427 2.933 40 0 EFABMO Fc1cccnc1O[C@@H]1Cn2cccc2C[N@@H+](CC2CCOCC2)C1 ZINC000247550863 283032455 /nfs/dbraw/zinc/03/24/55/283032455.db2.gz VZAGPVSLJJHIEW-KRWDZBQOSA-N 1 1 345.418 2.712 40 0 EFABMO Cc1cc(OC[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc(C)c1Cl ZINC000019781868 202020913 /nfs/dbraw/zinc/02/09/13/202020913.db2.gz QGQDKOATNVCHBW-KFWWJZLASA-N 1 1 327.852 2.806 40 0 EFABMO C[N@@H+]1CC[C@H](CNC(=O)c2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485939 283115208 /nfs/dbraw/zinc/11/52/08/283115208.db2.gz GHJGJNAKFFGJMB-WBMJQRKESA-N 1 1 348.809 2.692 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)c2cnccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485939 283115210 /nfs/dbraw/zinc/11/52/10/283115210.db2.gz GHJGJNAKFFGJMB-WBMJQRKESA-N 1 1 348.809 2.692 40 0 EFABMO CCn1nccc1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000184242671 235345101 /nfs/dbraw/zinc/34/51/01/235345101.db2.gz FCAAIRZFWYLOPY-IMJJTQAJSA-N 1 1 334.464 2.638 40 0 EFABMO CC(C)(O)c1cc(CC2([NH2+]Cc3ccc(Cl)cc3)COC2)no1 ZINC000067897904 202037787 /nfs/dbraw/zinc/03/77/87/202037787.db2.gz GJOKYDJVOVLQKZ-UHFFFAOYSA-N 1 1 336.819 2.657 40 0 biogenic,in-vitro EFABMO COc1cccc(O[C@@H](C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000020493078 202046494 /nfs/dbraw/zinc/04/64/94/202046494.db2.gz SMZGGPJQUASUDQ-BBWFWOEESA-N 1 1 348.487 2.947 40 0 EFABMO CCOc1c(Br)cc(CNCC[NH+](C)C)cc1OC ZINC000022074695 202078950 /nfs/dbraw/zinc/07/89/50/202078950.db2.gz OXFGIZUUOKZMLP-UHFFFAOYSA-N 1 1 331.254 2.508 40 0 EFABMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](C)CC1 ZINC000022585752 202087818 /nfs/dbraw/zinc/08/78/18/202087818.db2.gz YEVQQPCVAWPGDN-QGZVFWFLSA-N 1 1 337.467 2.528 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000022327383 202083691 /nfs/dbraw/zinc/08/36/91/202083691.db2.gz WNNOYJGDMFTJSR-UHFFFAOYSA-N 1 1 344.415 2.731 40 0 EFABMO Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1F ZINC000022462567 202085113 /nfs/dbraw/zinc/08/51/13/202085113.db2.gz XBSLHNWKAJLVQO-UHFFFAOYSA-N 1 1 334.435 2.899 40 0 EFABMO CN1CC[NH+](CCCNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000022933460 202095154 /nfs/dbraw/zinc/09/51/54/202095154.db2.gz GSLCUNFWXAIABR-DHZHZOJOSA-N 1 1 343.515 2.751 40 0 EFABMO COc1ccc(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023379315 202103000 /nfs/dbraw/zinc/10/30/00/202103000.db2.gz BTOZLIJFENKALJ-UHFFFAOYSA-N 1 1 338.451 2.972 40 0 EFABMO CC[C@H]1CCCC[N@@H+]1Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000023991377 202110807 /nfs/dbraw/zinc/11/08/07/202110807.db2.gz COBXDSZRUKCOMK-LBPRGKRZSA-N 1 1 331.416 2.705 40 0 EFABMO CC[C@H]1CCCC[N@H+]1Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000023991377 202110809 /nfs/dbraw/zinc/11/08/09/202110809.db2.gz COBXDSZRUKCOMK-LBPRGKRZSA-N 1 1 331.416 2.705 40 0 EFABMO O=C(Nc1cccnc1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000038489472 202137986 /nfs/dbraw/zinc/13/79/86/202137986.db2.gz UCWSTUZAWUBLFT-UHFFFAOYSA-N 1 1 335.411 2.809 40 0 EFABMO Cc1noc(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000027347028 202153528 /nfs/dbraw/zinc/15/35/28/202153528.db2.gz XHOXCIJDUBHSML-INIZCTEOSA-N 1 1 335.835 2.906 40 0 EFABMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CCOc1ccc(F)cc1 ZINC000040002693 202166294 /nfs/dbraw/zinc/16/62/94/202166294.db2.gz MREGOWINVGCUHI-GOSISDBHSA-N 1 1 330.403 2.966 40 0 EFABMO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000040002693 202166297 /nfs/dbraw/zinc/16/62/97/202166297.db2.gz MREGOWINVGCUHI-GOSISDBHSA-N 1 1 330.403 2.966 40 0 EFABMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000035189289 213013280 /nfs/dbraw/zinc/01/32/80/213013280.db2.gz IZWKBHMVRKCCRM-ZBLLQYKHSA-N 1 1 327.509 2.934 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000035075011 213006612 /nfs/dbraw/zinc/00/66/12/213006612.db2.gz UUJWJBPJLSKMCI-IRXDYDNUSA-N 1 1 349.471 2.825 40 0 EFABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000036741288 202330824 /nfs/dbraw/zinc/33/08/24/202330824.db2.gz IEXJXWCUJQTYAV-AZUAARDMSA-N 1 1 345.414 2.851 40 0 EFABMO O=C([C@H]1CCC[N@H+](C[C@@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000036734362 202331020 /nfs/dbraw/zinc/33/10/20/202331020.db2.gz JNIBHYAJTCUVJN-JKSUJKDBSA-N 1 1 336.501 2.896 40 0 EFABMO CC(C)n1ccc(C(=O)OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000073300914 202369505 /nfs/dbraw/zinc/36/95/05/202369505.db2.gz IWVIHIGOYFLMFW-KRWDZBQOSA-N 1 1 343.427 2.522 40 0 EFABMO CC(C)n1ccc(C(=O)OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000073300914 202369509 /nfs/dbraw/zinc/36/95/09/202369509.db2.gz IWVIHIGOYFLMFW-KRWDZBQOSA-N 1 1 343.427 2.522 40 0 EFABMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2cccs2)cs1 ZINC000072243223 202357720 /nfs/dbraw/zinc/35/77/20/202357720.db2.gz LGFPWQKNYGCNPL-UHFFFAOYSA-N 1 1 336.482 2.929 40 0 EFABMO C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000074160590 202374122 /nfs/dbraw/zinc/37/41/22/202374122.db2.gz JLPJSNZCSGRQRN-MOPGFXCFSA-N 1 1 345.487 2.577 40 0 EFABMO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n(C)n1 ZINC000075964535 202378890 /nfs/dbraw/zinc/37/88/90/202378890.db2.gz IOIRHYWWZXSEQZ-OAHLLOKOSA-N 1 1 344.484 2.781 40 0 EFABMO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n(C)n1 ZINC000075964535 202378894 /nfs/dbraw/zinc/37/88/94/202378894.db2.gz IOIRHYWWZXSEQZ-OAHLLOKOSA-N 1 1 344.484 2.781 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000075862243 202379297 /nfs/dbraw/zinc/37/92/97/202379297.db2.gz RJSJJAQAQPNJAD-CYBMUJFWSA-N 1 1 347.381 2.914 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000075862243 202379301 /nfs/dbraw/zinc/37/93/01/202379301.db2.gz RJSJJAQAQPNJAD-CYBMUJFWSA-N 1 1 347.381 2.914 40 0 EFABMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000075714699 202382600 /nfs/dbraw/zinc/38/26/00/202382600.db2.gz YYMWIOAPRCKAOB-ZDUSSCGKSA-N 1 1 330.350 2.858 40 0 EFABMO O=C(Nc1ccccc1)c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000077963747 202394011 /nfs/dbraw/zinc/39/40/11/202394011.db2.gz MSVJQYWHIKJIDQ-CQSZACIVSA-N 1 1 348.410 2.836 40 0 EFABMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccncc3)c2)C[C@H](C)O1 ZINC000078153343 202394650 /nfs/dbraw/zinc/39/46/50/202394650.db2.gz PEQYFHLYWDYAOH-GJZGRUSLSA-N 1 1 325.412 2.943 40 0 EFABMO COc1ccccc1C[C@H](C)CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000078656028 202398597 /nfs/dbraw/zinc/39/85/97/202398597.db2.gz MUVPLEBOSVLKNC-FUHWJXTLSA-N 1 1 330.472 2.961 40 0 EFABMO Cc1cc(Cl)ccc1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000076329920 202387741 /nfs/dbraw/zinc/38/77/41/202387741.db2.gz HDLJFCSSFNCPAZ-ZDUSSCGKSA-N 1 1 338.883 2.653 40 0 EFABMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cnn(C)c1C(F)F ZINC000076495726 202388859 /nfs/dbraw/zinc/38/88/59/202388859.db2.gz FJJJIIIHZFINNI-CYBMUJFWSA-N 1 1 348.397 2.704 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cnn(C)c1C(F)F ZINC000076495726 202388863 /nfs/dbraw/zinc/38/88/63/202388863.db2.gz FJJJIIIHZFINNI-CYBMUJFWSA-N 1 1 348.397 2.704 40 0 EFABMO CC[N@@H+](CCOc1ccc2c(C)cc(=O)oc2c1)C[C@H]1CCOC1 ZINC000077314574 202391963 /nfs/dbraw/zinc/39/19/63/202391963.db2.gz GGKLOKXPHAXLHZ-OAHLLOKOSA-N 1 1 331.412 2.839 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000079100127 202427549 /nfs/dbraw/zinc/42/75/49/202427549.db2.gz PJVQEAUTDQVWPS-HNNXBMFYSA-N 1 1 328.416 2.508 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000079100127 202427554 /nfs/dbraw/zinc/42/75/54/202427554.db2.gz PJVQEAUTDQVWPS-HNNXBMFYSA-N 1 1 328.416 2.508 40 0 EFABMO CC(C)[N@@H+](CCO)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391732 202433937 /nfs/dbraw/zinc/43/39/37/202433937.db2.gz MOIGCKVAHGYLNA-ROUUACIJSA-N 1 1 334.460 2.927 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)NCCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000226752791 201038609 /nfs/dbraw/zinc/03/86/09/201038609.db2.gz QCHFRUNUBBOCPV-QZTJIDSGSA-N 1 1 326.415 2.830 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245343964 201152852 /nfs/dbraw/zinc/15/28/52/201152852.db2.gz WQHOGAYPOLSXLI-UHOFOFEASA-N 1 1 340.826 2.767 40 0 EFABMO C[C@H]1CN(CC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000249268518 201180111 /nfs/dbraw/zinc/18/01/11/201180111.db2.gz IUPQPMYXKPLPMG-JKSUJKDBSA-N 1 1 349.544 2.922 40 0 EFABMO Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000252486003 201183932 /nfs/dbraw/zinc/18/39/32/201183932.db2.gz CIFBGRACDXOUCQ-DNVCBOLYSA-N 1 1 338.455 2.710 40 0 EFABMO c1nc2n(n1)CCC[C@@H]2N[C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000252584999 201184074 /nfs/dbraw/zinc/18/40/74/201184074.db2.gz FLESUZALCHSUTR-VJANTYMQSA-N 1 1 337.471 2.613 40 0 EFABMO C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000252486039 201184154 /nfs/dbraw/zinc/18/41/54/201184154.db2.gz CPOZXWSTQPAXDA-AYOQOUSVSA-N 1 1 345.487 2.631 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc(N)c2ccccc2n1 ZINC000252487180 201184457 /nfs/dbraw/zinc/18/44/57/201184457.db2.gz UEZXKOOTGCJAOX-RHSMWYFYSA-N 1 1 348.454 2.930 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)nn1 ZINC000283060364 201329798 /nfs/dbraw/zinc/32/97/98/201329798.db2.gz JMXPHNOJVKGWKF-IRXDYDNUSA-N 1 1 331.391 2.712 40 0 EFABMO Cc1nc(-c2ccccc2NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000081062081 201356492 /nfs/dbraw/zinc/35/64/92/201356492.db2.gz FRTUYZCGEIQTEV-KGLIPLIRSA-N 1 1 341.415 2.745 40 0 EFABMO Cn1cccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685572 239250102 /nfs/dbraw/zinc/25/01/02/239250102.db2.gz XENUQISZAOVHMD-UHFFFAOYSA-N 1 1 345.394 2.608 40 0 EFABMO Cn1cccc1C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685572 239250103 /nfs/dbraw/zinc/25/01/03/239250103.db2.gz XENUQISZAOVHMD-UHFFFAOYSA-N 1 1 345.394 2.608 40 0 EFABMO Cc1nc(C)c(C)c(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191800227 239305633 /nfs/dbraw/zinc/30/56/33/239305633.db2.gz ZEURAGCFLABCGL-UHFFFAOYSA-N 1 1 348.491 2.644 40 0 EFABMO Cc1nc(C)c(C)c(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000191800227 239305640 /nfs/dbraw/zinc/30/56/40/239305640.db2.gz ZEURAGCFLABCGL-UHFFFAOYSA-N 1 1 348.491 2.644 40 0 EFABMO Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000023638578 212386736 /nfs/dbraw/zinc/38/67/36/212386736.db2.gz ZJLCMICDLSRZMS-UHFFFAOYSA-N 1 1 338.407 2.682 40 0 EFABMO C[C@H](NCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022790306 212325122 /nfs/dbraw/zinc/32/51/22/212325122.db2.gz JLDZHHWEZOGKGT-HNNXBMFYSA-N 1 1 327.428 2.957 40 0 EFABMO C[C@@H](NCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022790313 212325006 /nfs/dbraw/zinc/32/50/06/212325006.db2.gz JLDZHHWEZOGKGT-OAHLLOKOSA-N 1 1 327.428 2.957 40 0 EFABMO CC[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)N(C)Cc1ccccc1 ZINC000225798265 240232045 /nfs/dbraw/zinc/23/20/45/240232045.db2.gz FZTNILPKQWBBHC-IBGZPJMESA-N 1 1 331.504 2.886 40 0 EFABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000248015882 240286223 /nfs/dbraw/zinc/28/62/23/240286223.db2.gz HNNRSNUMTSPTBE-CQSZACIVSA-N 1 1 333.482 2.985 40 0 EFABMO CCN1CC[NH+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000022030674 212272221 /nfs/dbraw/zinc/27/22/21/212272221.db2.gz YHGMGJZUNQTMDT-LXPRWKDFSA-N 1 1 326.525 2.606 40 0 EFABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc3c(c2)OCO3)C1 ZINC000225736073 242009726 /nfs/dbraw/zinc/00/97/26/242009726.db2.gz SJUXYZBSFWSKSO-ZDUSSCGKSA-N 1 1 335.473 2.824 40 0 EFABMO C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)CC(c2cccs2)=NO1)c1ccco1 ZINC000226749546 242112568 /nfs/dbraw/zinc/11/25/68/242112568.db2.gz YDUGHNFRXLYYEF-SUMWQHHRSA-N 1 1 347.440 2.643 40 0 EFABMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H](c2ccsc2)O1 ZINC000230128346 242235928 /nfs/dbraw/zinc/23/59/28/242235928.db2.gz GQCYJVWDMBUWCW-MXASKKJJSA-N 1 1 349.500 2.846 40 0 EFABMO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2cccs2)C1 ZINC000096041272 284010767 /nfs/dbraw/zinc/01/07/67/284010767.db2.gz IAMYBYOGFYLVJO-IAOVAPTHSA-N 1 1 346.452 2.637 40 0 EFABMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000021055251 212203689 /nfs/dbraw/zinc/20/36/89/212203689.db2.gz NAGBRZYUOYNMDT-GJZGRUSLSA-N 1 1 343.471 2.714 40 0 EFABMO Cn1ccc(CN[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000242191451 243013376 /nfs/dbraw/zinc/01/33/76/243013376.db2.gz XFPBVVPQXKOPMB-MRXNPFEDSA-N 1 1 338.377 2.803 40 0 EFABMO Cn1ccc(CN[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000242191451 243013382 /nfs/dbraw/zinc/01/33/82/243013382.db2.gz XFPBVVPQXKOPMB-MRXNPFEDSA-N 1 1 338.377 2.803 40 0 EFABMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302072 243014638 /nfs/dbraw/zinc/01/46/38/243014638.db2.gz YPHVWFDQBHHXSO-SJORKVTESA-N 1 1 340.423 2.522 40 0 EFABMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccoc1C1CC1 ZINC000242302071 243015936 /nfs/dbraw/zinc/01/59/36/243015936.db2.gz YPHVWFDQBHHXSO-IRXDYDNUSA-N 1 1 340.423 2.522 40 0 EFABMO Cc1cccc2oc(CC[NH2+][C@@H](C(N)=O)c3ccc(F)cc3)nc21 ZINC000242339265 243020610 /nfs/dbraw/zinc/02/06/10/243020610.db2.gz ZGJNGYAUIHNWTL-QGZVFWFLSA-N 1 1 327.359 2.634 40 0 EFABMO C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@H+]1CC1CCC1 ZINC000253591118 244029761 /nfs/dbraw/zinc/02/97/61/244029761.db2.gz JUVGNCRCOALQLR-CQSZACIVSA-N 1 1 342.443 2.512 40 0 EFABMO C[C@@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@@H+]1CC1CCC1 ZINC000253591118 244029767 /nfs/dbraw/zinc/02/97/67/244029767.db2.gz JUVGNCRCOALQLR-CQSZACIVSA-N 1 1 342.443 2.512 40 0 EFABMO Cn1cc(C[N@H+]2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)cn1 ZINC000257206173 244133549 /nfs/dbraw/zinc/13/35/49/244133549.db2.gz BCEHDEMYZMXGHZ-INIZCTEOSA-N 1 1 325.412 2.857 40 0 EFABMO CCc1[nH]nc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)c1C ZINC000257206926 244137277 /nfs/dbraw/zinc/13/72/77/244137277.db2.gz BFMWJFDHFMOPHN-NQUFMGSDSA-N 1 1 330.476 2.758 40 0 EFABMO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3sccc3C)CCN2C)c1 ZINC000257200476 244118089 /nfs/dbraw/zinc/11/80/89/244118089.db2.gz ADMYPVTVWSARLK-QGZVFWFLSA-N 1 1 343.496 2.905 40 0 EFABMO COc1ccc(NC(=O)CN2CCC[C@@H]3[C@H]2CCCC[N@H+]3C)cc1 ZINC000257209165 244143035 /nfs/dbraw/zinc/14/30/35/244143035.db2.gz BPGOABOGCSELMM-QZTJIDSGSA-N 1 1 331.460 2.582 40 0 EFABMO Cn1cncc1C[N@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257208616 244144425 /nfs/dbraw/zinc/14/44/25/244144425.db2.gz BMWNIPNIUJTYOX-HNNXBMFYSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1ccnc1-c1cncc([C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257215216 244164816 /nfs/dbraw/zinc/16/48/16/244164816.db2.gz CPECFYWKCGWRTO-ZDUSSCGKSA-N 1 1 340.456 2.713 40 0 EFABMO Cn1ccnc1-c1cncc([C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257215216 244164823 /nfs/dbraw/zinc/16/48/23/244164823.db2.gz CPECFYWKCGWRTO-ZDUSSCGKSA-N 1 1 340.456 2.713 40 0 EFABMO C[C@]1(COc2ccccc2)C[C@@H]2C[N@@H+](Cc3cc[nH]n3)CC[C@@H]2O1 ZINC000257216322 244167647 /nfs/dbraw/zinc/16/76/47/244167647.db2.gz CTZSSLAFBMGUIZ-AYOQOUSVSA-N 1 1 327.428 2.858 40 0 EFABMO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CC[N@H+](C)Cc1cccnc1 ZINC000257223159 244191209 /nfs/dbraw/zinc/19/12/09/244191209.db2.gz DWECFYZURXIPJM-KRWDZBQOSA-N 1 1 341.459 2.689 40 0 EFABMO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000257222854 244192516 /nfs/dbraw/zinc/19/25/16/244192516.db2.gz DUXKFEORDBMEAT-FQEVSTJZSA-N 1 1 349.438 2.931 40 0 EFABMO COc1ncc(C[N@H+]2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257230245 244209493 /nfs/dbraw/zinc/20/94/93/244209493.db2.gz GBLITLVGXNRNII-VQFNDLOPSA-N 1 1 325.412 2.775 40 0 EFABMO c1c[nH]c(-c2nccnc2CC2CC[NH+](Cc3cscn3)CC2)n1 ZINC000257243887 244251157 /nfs/dbraw/zinc/25/11/57/244251157.db2.gz IIZZIABTKNZEQT-UHFFFAOYSA-N 1 1 340.456 2.778 40 0 EFABMO Cc1nc(C(=O)NCCc2ccccc2)cc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072382872 203210975 /nfs/dbraw/zinc/21/09/75/203210975.db2.gz TYCYVENPMYITSH-KRWDZBQOSA-N 1 1 338.455 2.567 40 0 EFABMO c1cc(C[N@@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)ccn1 ZINC000072387308 203212260 /nfs/dbraw/zinc/21/22/60/203212260.db2.gz KJXFSHCDGBJWSF-GOSISDBHSA-N 1 1 337.471 2.927 40 0 EFABMO CCn1cc(C[N@@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)c(C)n1 ZINC000257245741 244256049 /nfs/dbraw/zinc/25/60/49/244256049.db2.gz IQXMDOFKNGWCQY-IBGZPJMESA-N 1 1 326.444 2.617 40 0 EFABMO CCn1cc(C[N@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)c(C)n1 ZINC000257245741 244256055 /nfs/dbraw/zinc/25/60/55/244256055.db2.gz IQXMDOFKNGWCQY-IBGZPJMESA-N 1 1 326.444 2.617 40 0 EFABMO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072388525 203212467 /nfs/dbraw/zinc/21/24/67/203212467.db2.gz KYDKTHQJFPMWNC-FQEVSTJZSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1cc(C(N)=O)nc([C@]2(C)CCC[N@H+]2Cc2ccc3[nH]ccc3c2)n1 ZINC000072388525 203212470 /nfs/dbraw/zinc/21/24/70/203212470.db2.gz KYDKTHQJFPMWNC-FQEVSTJZSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072360363 203204550 /nfs/dbraw/zinc/20/45/50/203204550.db2.gz OFVAOTCBTIVOMY-INIZCTEOSA-N 1 1 340.431 2.635 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072355382 203204627 /nfs/dbraw/zinc/20/46/27/203204627.db2.gz DJVSPLXFQGTHQB-MRXNPFEDSA-N 1 1 339.443 2.867 40 0 EFABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257239521 244239628 /nfs/dbraw/zinc/23/96/28/244239628.db2.gz HPSLIXMOFGQZLF-MRXNPFEDSA-N 1 1 325.412 2.936 40 0 EFABMO COCC[N@@H+]1CCC[C@H]1c1cc(C(F)(F)F)c(CNC(C)=O)cn1 ZINC000072355995 203205174 /nfs/dbraw/zinc/20/51/74/203205174.db2.gz DUKSZQFUQQAECW-HNNXBMFYSA-N 1 1 345.365 2.520 40 0 EFABMO COCC[N@H+]1CCC[C@H]1c1cc(C(F)(F)F)c(CNC(C)=O)cn1 ZINC000072355995 203205176 /nfs/dbraw/zinc/20/51/76/203205176.db2.gz DUKSZQFUQQAECW-HNNXBMFYSA-N 1 1 345.365 2.520 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000072355328 203205356 /nfs/dbraw/zinc/20/53/56/203205356.db2.gz QSGFXNGFKVKJAZ-QGZVFWFLSA-N 1 1 347.422 2.991 40 0 EFABMO Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCC[N@H+]3C)cn1 ZINC000257240104 244242576 /nfs/dbraw/zinc/24/25/76/244242576.db2.gz HSBYMEXRWCCZNN-GBESFXJTSA-N 1 1 338.455 2.860 40 0 EFABMO CN(C)C(=O)C[NH+]1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363620 203206279 /nfs/dbraw/zinc/20/62/79/203206279.db2.gz MAVPAHXGHYVAIT-UHFFFAOYSA-N 1 1 345.472 2.549 40 0 EFABMO Cc1cc(CCC(=O)Nc2nncs2)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072360561 203206379 /nfs/dbraw/zinc/20/63/79/203206379.db2.gz LAJRBETZWGHTIK-AWEZNQCLSA-N 1 1 331.445 2.580 40 0 EFABMO NC(=O)CCc1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2F)n1 ZINC000072360825 203206651 /nfs/dbraw/zinc/20/66/51/203206651.db2.gz OJCHSVWETBMLQX-SFHVURJKSA-N 1 1 327.403 2.976 40 0 EFABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2CC2(O)CCCCC2)n1 ZINC000257246061 244259043 /nfs/dbraw/zinc/25/90/43/244259043.db2.gz ISGSIVFAAAGHMZ-SFHVURJKSA-N 1 1 331.460 2.550 40 0 EFABMO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3C(C)C)C2)n1 ZINC000257249139 244265646 /nfs/dbraw/zinc/26/56/46/244265646.db2.gz JGYPIYNZEOERSM-MRXNPFEDSA-N 1 1 343.475 2.845 40 0 EFABMO Cc1cc(N)cc([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)[nH+]1 ZINC000257249828 244266574 /nfs/dbraw/zinc/26/65/74/244266574.db2.gz JJYCPIDSGQWPLW-FQEVSTJZSA-N 1 1 337.423 2.822 40 0 EFABMO CC(=O)NCc1cncc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000257251143 244267531 /nfs/dbraw/zinc/26/75/31/244267531.db2.gz JPOOLRJCKNBZJN-FQEVSTJZSA-N 1 1 338.455 2.882 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccco3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392888 203212827 /nfs/dbraw/zinc/21/28/27/203212827.db2.gz NMBOUQXGZNCFJL-HNNXBMFYSA-N 1 1 336.395 2.805 40 0 EFABMO C[C@@H]1CN(Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000072394695 203213421 /nfs/dbraw/zinc/21/34/21/203213421.db2.gz RKNINMNFKNFZLA-ZIAGYGMSSA-N 1 1 328.460 2.639 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCN(C(=O)CC4CCCCC4)C3)ncc2C1 ZINC000072390927 203213648 /nfs/dbraw/zinc/21/36/48/203213648.db2.gz RKLVOYCZARZNHG-INIZCTEOSA-N 1 1 342.487 2.751 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393209 203213700 /nfs/dbraw/zinc/21/37/00/203213700.db2.gz SZWCZLYNNAXGKF-INIZCTEOSA-N 1 1 347.422 2.607 40 0 EFABMO Cc1ccc(C[NH+]2CCC(C)(c3n[nH]cc3S(C)(=O)=O)CC2)cc1 ZINC000072388890 203213978 /nfs/dbraw/zinc/21/39/78/203213978.db2.gz JCTTXTBIXDXPNV-UHFFFAOYSA-N 1 1 347.484 2.675 40 0 EFABMO Cc1cccc(CCNC(=O)c2cncc([C@@H]3CCC[N@H+](C)C3)n2)c1 ZINC000257253901 244275681 /nfs/dbraw/zinc/27/56/81/244275681.db2.gz KASYUSKWCUJFTK-QGZVFWFLSA-N 1 1 338.455 2.567 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)n1 ZINC000257265335 244359192 /nfs/dbraw/zinc/35/91/92/244359192.db2.gz LYGXNVGGHHZBCC-HNNXBMFYSA-N 1 1 334.427 2.950 40 0 EFABMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnc(N)n2)cc1 ZINC000257269436 244370538 /nfs/dbraw/zinc/37/05/38/244370538.db2.gz MPXQLJITHYGTPQ-QGZVFWFLSA-N 1 1 325.416 2.744 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2csc(C(C)C)c2)[C@H]1O ZINC000257270090 244372267 /nfs/dbraw/zinc/37/22/67/244372267.db2.gz MSSICJMYIYVZIT-IIAWOOMASA-N 1 1 333.457 2.871 40 0 EFABMO Cc1cc(N(C)C)cc([C@H]2CN(Cc3ccnn3C(C)C)CCO2)[nH+]1 ZINC000257262049 244351527 /nfs/dbraw/zinc/35/15/27/244351527.db2.gz LJVMJKHBLQHOLZ-LJQANCHMSA-N 1 1 343.475 2.807 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cnccn3)C2)cc1CO ZINC000257273603 244385086 /nfs/dbraw/zinc/38/50/86/244385086.db2.gz NHJAJXXFUUUMAJ-INIZCTEOSA-N 1 1 327.428 2.747 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@H](Cc2nccnc2-c2ncc[nH]2)C1 ZINC000257274176 244389160 /nfs/dbraw/zinc/38/91/60/244389160.db2.gz NJWKJZBQNWMLNL-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1nn(C)c(C)c1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2cccc(F)c2)C1 ZINC000257277269 244396351 /nfs/dbraw/zinc/39/63/51/244396351.db2.gz NXDYVRSZCGOKHJ-RTBURBONSA-N 1 1 347.434 2.580 40 0 EFABMO Cc1nc(CC(=O)N(C)[C@H]2CCCN(c3cccc(C)[nH+]3)C2)cs1 ZINC000257311845 244493782 /nfs/dbraw/zinc/49/37/82/244493782.db2.gz ULGWBMUIFJEGGA-INIZCTEOSA-N 1 1 344.484 2.825 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccoc4)CCO[C@@H]3C2)s1 ZINC000096108207 203835275 /nfs/dbraw/zinc/83/52/75/203835275.db2.gz GJEBNAISFQEHFH-JKSUJKDBSA-N 1 1 346.452 2.623 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccoc4)CCO[C@@H]3C2)s1 ZINC000096108207 203835279 /nfs/dbraw/zinc/83/52/79/203835279.db2.gz GJEBNAISFQEHFH-JKSUJKDBSA-N 1 1 346.452 2.623 40 0 EFABMO Cc1cnc(C(=O)N2CCC3(CCC[N@H+]3CC3CCC3)CC2)cn1 ZINC000096063191 203816428 /nfs/dbraw/zinc/81/64/28/203816428.db2.gz NYDSLYZGKDVKDK-UHFFFAOYSA-N 1 1 328.460 2.656 40 0 EFABMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 ZINC000107203569 204227597 /nfs/dbraw/zinc/22/75/97/204227597.db2.gz OIPBYZNALQWJKJ-QYZOEREBSA-N 1 1 328.460 2.850 40 0 EFABMO Fc1cnc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)nc1 ZINC000107226567 204227979 /nfs/dbraw/zinc/22/79/79/204227979.db2.gz BSMISWUCEVVFHF-CZUORRHYSA-N 1 1 334.420 2.523 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C[C@@H](Nc3ccccn3)CO2)C1 ZINC000107226089 204228104 /nfs/dbraw/zinc/22/81/04/204228104.db2.gz KNKFMFCBSKUHJW-QAPCUYQASA-N 1 1 328.416 2.532 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 ZINC000107730606 204244860 /nfs/dbraw/zinc/24/48/60/204244860.db2.gz MJCZYAHKRRAABW-MOPGFXCFSA-N 1 1 325.412 2.679 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107787674 204247944 /nfs/dbraw/zinc/24/79/44/204247944.db2.gz NXQJJXWQEMDRAY-RHSMWYFYSA-N 1 1 330.457 2.774 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000108531090 204265207 /nfs/dbraw/zinc/26/52/07/204265207.db2.gz BFHLDJFMYZFNKP-SJLPKXTDSA-N 1 1 349.425 2.988 40 0 EFABMO Cc1cccc(C[N@H+]2CCC3(CC(NC(=O)c4ccncc4)C3)C2)n1 ZINC000108527208 204266200 /nfs/dbraw/zinc/26/62/00/204266200.db2.gz DAKCOIFXZYOHHA-UHFFFAOYSA-N 1 1 336.439 2.570 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CCCCO2)C1 ZINC000108526615 204266278 /nfs/dbraw/zinc/26/62/78/204266278.db2.gz YKCLXSDABQWLJA-FXAWDEMLSA-N 1 1 343.471 2.936 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108534814 204266936 /nfs/dbraw/zinc/26/69/36/204266936.db2.gz DMIYSAKEXNHGTC-YJBOKZPZSA-N 1 1 333.501 2.970 40 0 EFABMO COc1cccc(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108536535 204267021 /nfs/dbraw/zinc/26/70/21/204267021.db2.gz CAWRHIMPIGMXPX-XLIONFOSSA-N 1 1 343.471 2.705 40 0 EFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)CC1 ZINC000049169385 204369923 /nfs/dbraw/zinc/36/99/23/204369923.db2.gz QJHSISMUAUQKGE-INIZCTEOSA-N 1 1 340.427 2.537 40 0 biogenic,in-vitro EFABMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000103265433 206398615 /nfs/dbraw/zinc/39/86/15/206398615.db2.gz KNUMYPWPQPYLBT-IIAWOOMASA-N 1 1 329.444 2.625 40 0 EFABMO O=C(NC1CCCCCCC1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000095399567 218333062 /nfs/dbraw/zinc/33/30/62/218333062.db2.gz FETNRGULOLSKJY-UHFFFAOYSA-N 1 1 337.508 2.996 40 0 EFABMO C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1csc(C2CC2)n1 ZINC000095405332 218341540 /nfs/dbraw/zinc/34/15/40/218341540.db2.gz XVFZDNCMTWDMQB-BNOWGMLFSA-N 1 1 334.489 2.960 40 0 EFABMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000095432453 218374676 /nfs/dbraw/zinc/37/46/76/218374676.db2.gz QRUAEJIJZNADSQ-MRXNPFEDSA-N 1 1 330.407 2.897 40 0 EFABMO CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)c1ccccc1Br ZINC000095433520 218375763 /nfs/dbraw/zinc/37/57/63/218375763.db2.gz ZDYJBHPNMUHTJP-OAHLLOKOSA-N 1 1 338.249 2.738 40 0 EFABMO C[C@@H](C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[NH+]1CCSCC1 ZINC000095435613 218377816 /nfs/dbraw/zinc/37/78/16/218377816.db2.gz CKAAUSZZOWAVHS-BQFCYCMXSA-N 1 1 348.512 2.708 40 0 EFABMO C[N@@H+]1CC[C@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(F)cc1 ZINC000095439050 218383154 /nfs/dbraw/zinc/38/31/54/218383154.db2.gz UGDVOGUYAWZWHI-WMZOPIPTSA-N 1 1 338.386 2.877 40 0 EFABMO C[N@H+]1CC[C@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(F)cc1 ZINC000095439050 218383156 /nfs/dbraw/zinc/38/31/56/218383156.db2.gz UGDVOGUYAWZWHI-WMZOPIPTSA-N 1 1 338.386 2.877 40 0 EFABMO CC(C)(C)n1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cn1 ZINC000449418437 251019602 /nfs/dbraw/zinc/01/96/02/251019602.db2.gz CWKJJEWQNUCWET-PKOBYXMFSA-N 1 1 331.435 2.938 40 0 EFABMO CC(C)(C)n1cc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cn1 ZINC000449418437 251019606 /nfs/dbraw/zinc/01/96/06/251019606.db2.gz CWKJJEWQNUCWET-PKOBYXMFSA-N 1 1 331.435 2.938 40 0 EFABMO CC1CC[NH+](CC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000012481383 207148078 /nfs/dbraw/zinc/14/80/78/207148078.db2.gz XNGHMNJVQBRCIY-UHFFFAOYSA-N 1 1 343.471 2.983 40 0 EFABMO CCOc1cccc(CCNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000097234383 219002276 /nfs/dbraw/zinc/00/22/76/219002276.db2.gz GMNGTXJUZDIFNE-MJGOQNOKSA-N 1 1 345.487 2.754 40 0 EFABMO COCc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000097378897 219019871 /nfs/dbraw/zinc/01/98/71/219019871.db2.gz XZAQIIMXNDFVMQ-STQMWFEESA-N 1 1 336.461 2.717 40 0 EFABMO COCc1noc([C@@H](C)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)n1 ZINC000097378899 219019945 /nfs/dbraw/zinc/01/99/45/219019945.db2.gz XZAQIIMXNDFVMQ-QWHCGFSZSA-N 1 1 336.461 2.717 40 0 EFABMO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2ccc(F)cc2)cs1 ZINC000248059446 257667267 /nfs/dbraw/zinc/66/72/67/257667267.db2.gz VCNBNXNEPOLCSS-SJORKVTESA-N 1 1 345.443 2.966 40 0 EFABMO O=C([C@@H]1CCC[C@@]12CC[N@@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788345 257788573 /nfs/dbraw/zinc/78/85/73/257788573.db2.gz LIOKTPLQXGBAPI-RDJZCZTQSA-N 1 1 335.398 2.551 40 0 EFABMO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000189677838 533402334 /nfs/dbraw/zinc/40/23/34/533402334.db2.gz DYTBBKBSDBXCNU-DOTOQJQBSA-N 1 1 332.444 2.976 40 0 EFABMO Cc1nc(Cl)cc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000060372188 132804915 /nfs/dbraw/zinc/80/49/15/132804915.db2.gz OJIFFPUCSBBNOA-UHFFFAOYSA-N 1 1 332.835 2.639 40 0 EFABMO COc1cc2c(cc1OC)[C@H](C)[N@H+]([C@@H]1CCCN(C(C)=O)C1)CC2 ZINC000072342503 286260519 /nfs/dbraw/zinc/26/05/19/286260519.db2.gz UXNDEHDRRIRVTP-XJKSGUPXSA-N 1 1 332.444 2.634 40 0 EFABMO C[N@H+](CCC1OCCO1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000123747848 222326030 /nfs/dbraw/zinc/32/60/30/222326030.db2.gz JJBXYLGNYAIWNT-UHFFFAOYSA-N 1 1 333.215 2.627 40 0 EFABMO C[N@@H+](CCC1OCCO1)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000123747848 222326033 /nfs/dbraw/zinc/32/60/33/222326033.db2.gz JJBXYLGNYAIWNT-UHFFFAOYSA-N 1 1 333.215 2.627 40 0 EFABMO C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486765 544558931 /nfs/dbraw/zinc/55/89/31/544558931.db2.gz QOTLJDDOOGQCBJ-XHDPSFHLSA-N 1 1 326.799 2.553 40 0 EFABMO Cc1noc(C)c1CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000165987621 544850457 /nfs/dbraw/zinc/85/04/57/544850457.db2.gz JUWPOKPFGZZUSL-OAHLLOKOSA-N 1 1 325.416 2.756 40 0 EFABMO CO[C@H]1CCN(Cc2ccsc2)[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]21 ZINC000096109482 274081008 /nfs/dbraw/zinc/08/10/08/274081008.db2.gz FCVPLHBAZSKJQU-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CC[N@H+](Cc2ccsc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109482 274081010 /nfs/dbraw/zinc/08/10/10/274081010.db2.gz FCVPLHBAZSKJQU-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109482 274081012 /nfs/dbraw/zinc/08/10/12/274081012.db2.gz FCVPLHBAZSKJQU-OTWHNJEPSA-N 1 1 343.496 2.864 40 0 EFABMO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000069683690 274158174 /nfs/dbraw/zinc/15/81/74/274158174.db2.gz OBKCCPQDQFVGDE-MRXNPFEDSA-N 1 1 342.443 2.681 40 0 EFABMO COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)Nc1c(C)n[nH]c1C ZINC000069683690 274158179 /nfs/dbraw/zinc/15/81/79/274158179.db2.gz OBKCCPQDQFVGDE-MRXNPFEDSA-N 1 1 342.443 2.681 40 0 EFABMO C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](c2ccsc2)O1 ZINC000096469916 274326445 /nfs/dbraw/zinc/32/64/45/274326445.db2.gz GQCYJVWDMBUWCW-MWQQHZPXSA-N 1 1 349.500 2.846 40 0 EFABMO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(c3ccc(O)cc3)CC2)on1 ZINC000055103444 274717083 /nfs/dbraw/zinc/71/70/83/274717083.db2.gz IJHPSVGYUGWRTL-CYBMUJFWSA-N 1 1 329.400 2.895 40 0 EFABMO CC(C)C[NH+](CC(C)C)CN1c2cc3c(cc2C(=O)C1=O)OCCO3 ZINC000016074859 275882950 /nfs/dbraw/zinc/88/29/50/275882950.db2.gz SAURPMCAJGBHPL-UHFFFAOYSA-N 1 1 346.427 2.559 40 0 EFABMO C[N@@H+]1CCN(C(=O)c2cc(Br)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000030030252 277096443 /nfs/dbraw/zinc/09/64/43/277096443.db2.gz UEQJFQOVISLIMK-OAHLLOKOSA-N 1 1 348.244 2.906 40 0 EFABMO C[N@H+]1CCN(C(=O)c2cc(Br)c[nH]2)[C@@H](c2ccccc2)C1 ZINC000030030252 277096444 /nfs/dbraw/zinc/09/64/44/277096444.db2.gz UEQJFQOVISLIMK-OAHLLOKOSA-N 1 1 348.244 2.906 40 0 EFABMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCOc3ccccc32)C1 ZINC000245316729 277155423 /nfs/dbraw/zinc/15/54/23/277155423.db2.gz KJZIICMAGKMOKZ-SOLBZPMBSA-N 1 1 343.471 2.678 40 0 EFABMO CNC(=O)c1cc(C[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)ncn1 ZINC000257233063 277255806 /nfs/dbraw/zinc/25/58/06/277255806.db2.gz GNOUCPWVGXSCLH-MRXNPFEDSA-N 1 1 338.455 2.681 40 0 EFABMO Cc1cccc(N2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)[nH+]1 ZINC000096158314 281229924 /nfs/dbraw/zinc/22/99/24/281229924.db2.gz HGVRXZBMIIMIDK-SFHVURJKSA-N 1 1 327.407 2.816 40 0 EFABMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000078046885 290242012 /nfs/dbraw/zinc/24/20/12/290242012.db2.gz NMLGGAGOHLYIFH-CQSZACIVSA-N 1 1 347.484 2.593 40 0 EFABMO Cc1cccc(C)c1-n1nnnc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000295674991 295358790 /nfs/dbraw/zinc/35/87/90/295358790.db2.gz BQJQVFRXDDAZHO-GJZGRUSLSA-N 1 1 336.443 2.895 40 0 EFABMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2C(C)(C)O)c1 ZINC000097375950 323214918 /nfs/dbraw/zinc/21/49/18/323214918.db2.gz IBEOEHAEOZGPQX-KRWDZBQOSA-N 1 1 333.476 2.583 40 0 EFABMO Cc1cc(C)n2c(C[NH2+][C@H](C[S@](C)=O)c3ccccc3)cnc2n1 ZINC000154728670 323220641 /nfs/dbraw/zinc/22/06/41/323220641.db2.gz ANZOMTBGALVIJL-MZNJEOGPSA-N 1 1 342.468 2.556 40 0 EFABMO O=C([C@H]1CCCOC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000171027718 473256722 /nfs/dbraw/zinc/25/67/22/473256722.db2.gz NSZHQAHFXYZODO-INIZCTEOSA-N 1 1 336.863 2.801 40 0 EFABMO O=C([C@H]1CCCOC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000171027718 473256727 /nfs/dbraw/zinc/25/67/27/473256727.db2.gz NSZHQAHFXYZODO-INIZCTEOSA-N 1 1 336.863 2.801 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000096441550 473419747 /nfs/dbraw/zinc/41/97/47/473419747.db2.gz OODVFFXHOXTJAC-NSHDSACASA-N 1 1 335.395 2.766 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)c1 ZINC000096039990 473259808 /nfs/dbraw/zinc/25/98/08/473259808.db2.gz TUKOXHNVZJMZNW-WOJBJXKFSA-N 1 1 339.439 2.927 40 0 EFABMO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000096039982 473260003 /nfs/dbraw/zinc/26/00/03/473260003.db2.gz HFUUUMBHHMYZQU-AEFFLSMTSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3cccnc3)C2)n1 ZINC000096039982 473260010 /nfs/dbraw/zinc/26/00/10/473260010.db2.gz HFUUUMBHHMYZQU-AEFFLSMTSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)n1 ZINC000096039985 473260385 /nfs/dbraw/zinc/26/03/85/473260385.db2.gz HFUUUMBHHMYZQU-FUHWJXTLSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)n1 ZINC000096039985 473260391 /nfs/dbraw/zinc/26/03/91/473260391.db2.gz HFUUUMBHHMYZQU-FUHWJXTLSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)n1 ZINC000096039983 473260406 /nfs/dbraw/zinc/26/04/06/473260406.db2.gz HFUUUMBHHMYZQU-SJLPKXTDSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)n1 ZINC000096039983 473260412 /nfs/dbraw/zinc/26/04/12/473260412.db2.gz HFUUUMBHHMYZQU-SJLPKXTDSA-N 1 1 345.468 2.988 40 0 EFABMO c1ccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040254 473262414 /nfs/dbraw/zinc/26/24/14/473262414.db2.gz KFKDUGIPYWWTAH-UXHICEINSA-N 1 1 346.471 2.648 40 0 EFABMO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](C3CCCC3)C[C@H]21 ZINC000096043374 473265417 /nfs/dbraw/zinc/26/54/17/473265417.db2.gz DQKVFECPBGTEMO-FGTMMUONSA-N 1 1 329.444 2.690 40 0 EFABMO Cn1cnc2c1[C@H](COCC1CCOCC1)C[N@@H+](CC1CCCC1)C2 ZINC000096044998 473266500 /nfs/dbraw/zinc/26/65/00/473266500.db2.gz RXURDYWOBFJINM-SFHVURJKSA-N 1 1 347.503 2.953 40 0 EFABMO Cc1cccc(C(=O)N2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)n1 ZINC000096046495 473266989 /nfs/dbraw/zinc/26/69/89/473266989.db2.gz UXSFALDMVLIXEP-UHFFFAOYSA-N 1 1 327.453 2.800 40 0 EFABMO O=C(c1ccccn1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096046518 473267590 /nfs/dbraw/zinc/26/75/90/473267590.db2.gz ARQKBVYCYMTKHY-UHFFFAOYSA-N 1 1 336.439 2.605 40 0 EFABMO O=C(c1cccnc1)N1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000096046662 473267968 /nfs/dbraw/zinc/26/79/68/473267968.db2.gz WHFPHUBIUYIVPY-UHFFFAOYSA-N 1 1 325.412 2.803 40 0 EFABMO O=c1[nH]ncc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1Cl ZINC000142823316 473268178 /nfs/dbraw/zinc/26/81/78/473268178.db2.gz HZYHRYKOMFTELP-LLVKDONJSA-N 1 1 338.864 2.809 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)o1 ZINC000096047638 473268769 /nfs/dbraw/zinc/26/87/69/473268769.db2.gz CEUJYYKUQVHSDF-KSSFIOAISA-N 1 1 331.391 2.968 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCCCN3S(C)(=O)=O)C2)s1 ZINC000096047421 473268818 /nfs/dbraw/zinc/26/88/18/473268818.db2.gz UZVQSBZWXJWAAV-INIZCTEOSA-N 1 1 342.530 2.837 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)cn1 ZINC000096047011 473269307 /nfs/dbraw/zinc/26/93/07/473269307.db2.gz FNGWZFIWXMICTM-GOSISDBHSA-N 1 1 344.484 2.610 40 0 EFABMO CN(Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048072 473269580 /nfs/dbraw/zinc/26/95/80/473269580.db2.gz WKBBYZADYUYYTF-LJQANCHMSA-N 1 1 341.455 2.930 40 0 EFABMO Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)o1 ZINC000096048599 473270703 /nfs/dbraw/zinc/27/07/03/473270703.db2.gz CCTBFLIAOOSLLU-QFBILLFUSA-N 1 1 342.443 2.638 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048561 473271429 /nfs/dbraw/zinc/27/14/29/473271429.db2.gz ZSUPZBRVNNTAMD-PKOBYXMFSA-N 1 1 327.428 2.888 40 0 EFABMO c1cncc(O[C@H]2CO[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096048282 473272525 /nfs/dbraw/zinc/27/25/25/473272525.db2.gz HQMFHDUGDMPZQL-RTBURBONSA-N 1 1 332.444 2.511 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@@]12CC[N@@H+](Cc1cccs1)C2 ZINC000096050500 473273156 /nfs/dbraw/zinc/27/31/56/473273156.db2.gz YGMOTNAAZOLNDH-GOSISDBHSA-N 1 1 327.453 2.768 40 0 EFABMO c1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049541 473273294 /nfs/dbraw/zinc/27/32/94/473273294.db2.gz NKCJUSHIGMYRGO-IBGZPJMESA-N 1 1 327.428 2.794 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C)o1 ZINC000096050213 473273332 /nfs/dbraw/zinc/27/33/32/473273332.db2.gz PUFZJZAAHMGRBA-HXUWFJFHSA-N 1 1 339.439 2.511 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(CC(=O)N(Cc4c(C)noc4C)C3)C2)o1 ZINC000096050946 473275624 /nfs/dbraw/zinc/27/56/24/473275624.db2.gz FSWFVKBKQBPBDO-IBGZPJMESA-N 1 1 343.427 2.817 40 0 EFABMO Cn1cc(C[N@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cn1 ZINC000096051145 473276551 /nfs/dbraw/zinc/27/65/51/473276551.db2.gz NZLOFNMMUHBNHB-QGZVFWFLSA-N 1 1 347.413 2.553 40 0 EFABMO Cc1cccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)n1 ZINC000096053888 473276890 /nfs/dbraw/zinc/27/68/90/473276890.db2.gz HRFYXYRLECEFNU-CALCHBBNSA-N 1 1 339.414 2.733 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000096055037 473278387 /nfs/dbraw/zinc/27/83/87/473278387.db2.gz GESCCDCBNGHGCD-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000096055037 473278392 /nfs/dbraw/zinc/27/83/92/473278392.db2.gz GESCCDCBNGHGCD-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000096055037 473278397 /nfs/dbraw/zinc/27/83/97/473278397.db2.gz GESCCDCBNGHGCD-QZTJIDSGSA-N 1 1 343.496 2.927 40 0 EFABMO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4nccs4)CC[N@H+]3C2)c1 ZINC000096055147 473279830 /nfs/dbraw/zinc/27/98/30/473279830.db2.gz QGRWLWBWGURQKP-HOCLYGCPSA-N 1 1 333.432 2.620 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCc4ccco4)CC[C@H]32)o1 ZINC000096057375 473280227 /nfs/dbraw/zinc/28/02/27/473280227.db2.gz MIIRXTYHHRXXHY-KURKYZTESA-N 1 1 344.411 2.619 40 0 EFABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](CC1CC1)CCC2 ZINC000096056050 473280356 /nfs/dbraw/zinc/28/03/56/473280356.db2.gz KUKFCYPRPAKHHT-PXNSSMCTSA-N 1 1 343.471 2.573 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000096056299 473281791 /nfs/dbraw/zinc/28/17/91/473281791.db2.gz DFQQICUBPXBAIU-FFZOFVMBSA-N 1 1 341.455 2.644 40 0 EFABMO O=C(CC1CC1)N[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO[C@H]12 ZINC000096057124 473281944 /nfs/dbraw/zinc/28/19/44/473281944.db2.gz SJJFLMXTIIGRQK-HQRMLTQVSA-N 1 1 346.446 2.721 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096057072 473282046 /nfs/dbraw/zinc/28/20/46/473282046.db2.gz PAEYRUOOJLVMPW-UYAOXDASSA-N 1 1 339.439 2.927 40 0 EFABMO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccoc3)O2)CC1 ZINC000096057536 473282068 /nfs/dbraw/zinc/28/20/68/473282068.db2.gz CJWLNCVBWJUKCC-KZNAEPCWSA-N 1 1 332.444 2.660 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096058149 473282145 /nfs/dbraw/zinc/28/21/45/473282145.db2.gz NLYMCPYFXQXZEI-IPMKNSEASA-N 1 1 328.412 2.932 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccsc1)C2 ZINC000096058494 473282786 /nfs/dbraw/zinc/28/27/86/473282786.db2.gz YQVPGWWYMSEPMN-HIFRSBDPSA-N 1 1 331.441 2.699 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccsc1)C2 ZINC000096058494 473282796 /nfs/dbraw/zinc/28/27/96/473282796.db2.gz YQVPGWWYMSEPMN-HIFRSBDPSA-N 1 1 331.441 2.699 40 0 EFABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3nccs3)C[C@@H]12 ZINC000096058459 473282825 /nfs/dbraw/zinc/28/28/25/473282825.db2.gz ODQIBWAKSHFJHS-IEBWSBKVSA-N 1 1 341.480 2.908 40 0 EFABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3nccs3)C[C@@H]12 ZINC000096058459 473282834 /nfs/dbraw/zinc/28/28/34/473282834.db2.gz ODQIBWAKSHFJHS-IEBWSBKVSA-N 1 1 341.480 2.908 40 0 EFABMO CCOC[C@H]1C[N@@H+](CC2CCOCC2)Cc2cn(CC3CC3)nc21 ZINC000096059979 473282883 /nfs/dbraw/zinc/28/28/83/473282883.db2.gz QSCGKVRVWDNXTM-GOSISDBHSA-N 1 1 333.476 2.655 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4ccccn4)C3)C2)o1 ZINC000096062463 473285777 /nfs/dbraw/zinc/28/57/77/473285777.db2.gz NQSIMQOPOROGTG-IBGZPJMESA-N 1 1 327.428 2.712 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1C[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096066302 473287650 /nfs/dbraw/zinc/28/76/50/473287650.db2.gz ALRQYZZNVUXDRB-XKQJLSEDSA-N 1 1 343.452 2.761 40 0 EFABMO Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](C1CCOCC1)C2 ZINC000096069239 473289658 /nfs/dbraw/zinc/28/96/58/473289658.db2.gz QGLIBOXZXOZKSJ-UHFFFAOYSA-N 1 1 338.455 2.786 40 0 EFABMO Cn1cnc(C(=O)N2CCC[C@]23CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000096071385 473290067 /nfs/dbraw/zinc/29/00/67/473290067.db2.gz JBPRACVMAXKYGQ-FQEVSTJZSA-N 1 1 338.455 2.691 40 0 EFABMO CC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096076485 473291104 /nfs/dbraw/zinc/29/11/04/473291104.db2.gz IWSNRABRJOUOJT-HXUWFJFHSA-N 1 1 341.455 2.742 40 0 EFABMO c1cc(C[N@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096082529 473292483 /nfs/dbraw/zinc/29/24/83/473292483.db2.gz XFEOAALUYKUMGE-FHWLQOOXSA-N 1 1 328.412 2.871 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@H]3[C@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096082529 473292486 /nfs/dbraw/zinc/29/24/86/473292486.db2.gz XFEOAALUYKUMGE-FHWLQOOXSA-N 1 1 328.412 2.871 40 0 EFABMO Fc1ccc(-c2ncnc3c2CC[N@H+](CCN2CCCC2)CC3)cc1 ZINC000096083983 473292768 /nfs/dbraw/zinc/29/27/68/473292768.db2.gz ZQFCJHUGAHLLLU-UHFFFAOYSA-N 1 1 340.446 2.779 40 0 EFABMO Fc1ccc(-c2ncnc3c2CC[N@@H+](CCN2CCCC2)CC3)cc1 ZINC000096083983 473292775 /nfs/dbraw/zinc/29/27/75/473292775.db2.gz ZQFCJHUGAHLLLU-UHFFFAOYSA-N 1 1 340.446 2.779 40 0 EFABMO COc1ccc([C@@H]2C[C@H](C)C[N@H+]2CC(C)(C)S(C)(=O)=O)cc1 ZINC000096490061 473446216 /nfs/dbraw/zinc/44/62/16/473446216.db2.gz KICXWZNZWHGSPQ-BBRMVZONSA-N 1 1 325.474 2.901 40 0 EFABMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000096100335 473295529 /nfs/dbraw/zinc/29/55/29/473295529.db2.gz LONSGYSJFKQVQX-OAQYLSRUSA-N 1 1 333.435 2.982 40 0 EFABMO CN1C(=O)C2(CC[NH+](Cc3nccs3)CC2)[C@@H]1c1ccccc1 ZINC000096100241 473295831 /nfs/dbraw/zinc/29/58/31/473295831.db2.gz QHIZPXYWDHASSR-INIZCTEOSA-N 1 1 327.453 2.939 40 0 EFABMO O=C(c1cccnc1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096100631 473296220 /nfs/dbraw/zinc/29/62/20/473296220.db2.gz PJELPJGNAAIYBB-FQEVSTJZSA-N 1 1 336.439 2.605 40 0 EFABMO O=C1[C@@H]2CC[N@H+](Cc3ccoc3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107137 473300518 /nfs/dbraw/zinc/30/05/18/473300518.db2.gz LHRSYYJZUCDDBW-CVEARBPZSA-N 1 1 332.425 2.595 40 0 EFABMO O=C1[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107137 473300527 /nfs/dbraw/zinc/30/05/27/473300527.db2.gz LHRSYYJZUCDDBW-CVEARBPZSA-N 1 1 332.425 2.595 40 0 EFABMO c1ccc(CO[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096107332 473300645 /nfs/dbraw/zinc/30/06/45/473300645.db2.gz ZYRRSLACTMKSED-UXHICEINSA-N 1 1 339.439 2.817 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108130 473300875 /nfs/dbraw/zinc/30/08/75/473300875.db2.gz FRKXUDGEGCWCHX-ZWKOTPCHSA-N 1 1 343.496 2.784 40 0 EFABMO Fc1ccccc1CN1C[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108127 473300939 /nfs/dbraw/zinc/30/09/39/473300939.db2.gz WQCZDFWLJQEDOJ-AZUAARDMSA-N 1 1 341.430 2.554 40 0 EFABMO Fc1ccccc1C[N@@H+]1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108127 473300944 /nfs/dbraw/zinc/30/09/44/473300944.db2.gz WQCZDFWLJQEDOJ-AZUAARDMSA-N 1 1 341.430 2.554 40 0 EFABMO Fc1ccccc1C[N@H+]1C[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC000096108127 473300951 /nfs/dbraw/zinc/30/09/51/473300951.db2.gz WQCZDFWLJQEDOJ-AZUAARDMSA-N 1 1 341.430 2.554 40 0 EFABMO CO[C@H]1CCN(Cc2ccc(C)o2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096109460 473301938 /nfs/dbraw/zinc/30/19/38/473301938.db2.gz TXGUSPBJKYSCER-ZCNNSNEGSA-N 1 1 341.455 2.704 40 0 EFABMO CO[C@H]1CC[N@H+](Cc2ccc(C)o2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109460 473301942 /nfs/dbraw/zinc/30/19/42/473301942.db2.gz TXGUSPBJKYSCER-ZCNNSNEGSA-N 1 1 341.455 2.704 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2ccc(C)o2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109460 473301948 /nfs/dbraw/zinc/30/19/48/473301948.db2.gz TXGUSPBJKYSCER-ZCNNSNEGSA-N 1 1 341.455 2.704 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)o1 ZINC000096108867 473302053 /nfs/dbraw/zinc/30/20/53/473302053.db2.gz FWRCWEGBLLZJDN-IEBWSBKVSA-N 1 1 328.412 2.648 40 0 EFABMO Cc1ncsc1CN1C[C@@H]2C[N@@H+](Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302256 /nfs/dbraw/zinc/30/22/56/473302256.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 1 1 349.525 2.846 40 0 EFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302264 /nfs/dbraw/zinc/30/22/64/473302264.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 1 1 349.525 2.846 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 ZINC000096108177 473302273 /nfs/dbraw/zinc/30/22/73/473302273.db2.gz SIOSVSXPYMSLFC-GOEBONIOSA-N 1 1 349.525 2.846 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)c2ccco2)C1 ZINC000096108456 473302861 /nfs/dbraw/zinc/30/28/61/473302861.db2.gz JQDZRBFAGZAAQM-KDOFPFPSSA-N 1 1 346.452 2.528 40 0 EFABMO Cc1nc(COC[C@]23COC[C@H]2C[N@@H+](Cc2ccncc2)C3)cs1 ZINC000096108911 473302884 /nfs/dbraw/zinc/30/28/84/473302884.db2.gz QPWYDWQSYHPYOE-AEFFLSMTSA-N 1 1 345.468 2.512 40 0 EFABMO CO[C@@H]1CCN(CCOCc2ccccc2)[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096110990 473304271 /nfs/dbraw/zinc/30/42/71/473304271.db2.gz JOLPXJFSGVJLEK-PWRODBHTSA-N 1 1 344.499 2.634 40 0 EFABMO O=C(c1cnccn1)N1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC000096157442 473316998 /nfs/dbraw/zinc/31/69/98/473316998.db2.gz ONWHASBKVWGDEI-UHFFFAOYSA-N 1 1 342.468 2.666 40 0 EFABMO C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096158714 473317642 /nfs/dbraw/zinc/31/76/42/473317642.db2.gz RWTLZMRBEPHMGV-HNNXBMFYSA-N 1 1 344.484 2.798 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096158147 473317915 /nfs/dbraw/zinc/31/79/15/473317915.db2.gz YVRDXDVJPXFRBG-FQEVSTJZSA-N 1 1 336.439 2.605 40 0 EFABMO Cc1ccc(CN2CCOC3(CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000096158889 473318021 /nfs/dbraw/zinc/31/80/21/473318021.db2.gz DDVTZZACVKEGJY-HXUWFJFHSA-N 1 1 344.499 2.698 40 0 EFABMO Fc1cnc(N2CCC[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc1 ZINC000096158306 473318465 /nfs/dbraw/zinc/31/84/65/473318465.db2.gz XFCAVVSOSQIWBB-SFHVURJKSA-N 1 1 327.407 2.503 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000096159659 473319293 /nfs/dbraw/zinc/31/92/93/473319293.db2.gz DOVXFUYXEADFLK-HXUWFJFHSA-N 1 1 339.414 2.845 40 0 EFABMO CN(Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccco3)CC[C@@H]12 ZINC000096185363 473325751 /nfs/dbraw/zinc/32/57/51/473325751.db2.gz YEBZJXDBMHHEAX-RLLQIKCJSA-N 1 1 341.455 2.644 40 0 EFABMO CN(Cc1cccnc1)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccco3)CC[C@@H]12 ZINC000096185363 473325758 /nfs/dbraw/zinc/32/57/58/473325758.db2.gz YEBZJXDBMHHEAX-RLLQIKCJSA-N 1 1 341.455 2.644 40 0 EFABMO Cc1nc(CN2C(=O)C[C@H]3[C@H]2CC[N@H+]3Cc2cccc(F)c2)cs1 ZINC000096184048 473326153 /nfs/dbraw/zinc/32/61/53/473326153.db2.gz ILRMXVRWKKRPMX-SJORKVTESA-N 1 1 345.443 2.966 40 0 EFABMO C[N@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185985 473326468 /nfs/dbraw/zinc/32/64/68/473326468.db2.gz FYKGBHZBZNTZSW-INMHGKMJSA-N 1 1 346.452 2.845 40 0 EFABMO C[N@@H+](Cc1ccco1)[C@@H]1CN(C(=O)c2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096185985 473326473 /nfs/dbraw/zinc/32/64/73/473326473.db2.gz FYKGBHZBZNTZSW-INMHGKMJSA-N 1 1 346.452 2.845 40 0 EFABMO O=C(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000096184648 473326969 /nfs/dbraw/zinc/32/69/69/473326969.db2.gz JJIGBXOELUTUPK-ZWKOTPCHSA-N 1 1 325.387 2.710 40 0 EFABMO O=C(NC[C@H]1OC[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@@H]21)c1ccco1 ZINC000096185311 473327925 /nfs/dbraw/zinc/32/79/25/473327925.db2.gz NKTLFCKGBVIICB-YQQAZPJKSA-N 1 1 346.452 2.608 40 0 EFABMO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccsc2)O1 ZINC000096187273 473328717 /nfs/dbraw/zinc/32/87/17/473328717.db2.gz QWJAQYOLNGDKKJ-BRWVUGGUSA-N 1 1 346.452 2.779 40 0 EFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccsc2)N1Cc1cccnc1 ZINC000096186342 473328832 /nfs/dbraw/zinc/32/88/32/473328832.db2.gz FJBZQSVTHWAFKW-IRXDYDNUSA-N 1 1 327.453 2.909 40 0 EFABMO Cn1cc(C[N@H+]2CCc3ncnc(-c4cccc(F)c4)c3CC2)cn1 ZINC000096187645 473329132 /nfs/dbraw/zinc/32/91/32/473329132.db2.gz GCDZRKWSZRZLJK-UHFFFAOYSA-N 1 1 337.402 2.617 40 0 EFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2)N1CC1CCOCC1 ZINC000096186330 473329621 /nfs/dbraw/zinc/32/96/21/473329621.db2.gz KQXAQJOPGSIRFF-OALUTQOASA-N 1 1 328.456 2.679 40 0 EFABMO COc1ccc(C[N@H+]2Cc3cnn(C)c3[C@@H](COCC3CC3)C2)cc1 ZINC000096198273 473334392 /nfs/dbraw/zinc/33/43/92/473334392.db2.gz ORPJGQIHJYFYCS-GOSISDBHSA-N 1 1 341.455 2.955 40 0 EFABMO COc1ccc(C[N@@H+]2Cc3cnn(C)c3[C@@H](COCC3CC3)C2)cc1 ZINC000096198273 473334396 /nfs/dbraw/zinc/33/43/96/473334396.db2.gz ORPJGQIHJYFYCS-GOSISDBHSA-N 1 1 341.455 2.955 40 0 EFABMO c1csc(COCc2cncc3c2CC[N@@H+](C[C@H]2CCOC2)C3)n1 ZINC000096189426 473331320 /nfs/dbraw/zinc/33/13/20/473331320.db2.gz IUVHFGHPQSGNCZ-CQSZACIVSA-N 1 1 345.468 2.650 40 0 EFABMO CN(Cc1ccco1)Cc1cncc2c1CC[N@@H+](C[C@@H]1CCOC1)C2 ZINC000096189520 473331356 /nfs/dbraw/zinc/33/13/56/473331356.db2.gz XDDLQKUWWCZACQ-INIZCTEOSA-N 1 1 341.455 2.701 40 0 EFABMO COCCO[C@@H]1CC[N@@H+](Cc2ccc(C)s2)[C@H]1Cc1cnn(C)c1 ZINC000096200216 473335222 /nfs/dbraw/zinc/33/52/22/473335222.db2.gz OVBFLGAHHBCJEM-ZWKOTPCHSA-N 1 1 349.500 2.639 40 0 EFABMO Cc1ccc2c(n1)N(CCn1cccn1)CCN(c1cccc(C)[nH+]1)C2 ZINC000096199107 473335853 /nfs/dbraw/zinc/33/58/53/473335853.db2.gz SZKYCMZPKCNCAC-UHFFFAOYSA-N 1 1 348.454 2.817 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1CC[C@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000096200690 473335941 /nfs/dbraw/zinc/33/59/41/473335941.db2.gz VZMGANSVGIMEBY-OALUTQOASA-N 1 1 344.459 2.637 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 ZINC000096200253 473336148 /nfs/dbraw/zinc/33/61/48/473336148.db2.gz VZMGANSVGIMEBY-RBUKOAKNSA-N 1 1 344.459 2.637 40 0 EFABMO Cc1cccc(C[N@H+]2CCOC[C@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096202247 473337038 /nfs/dbraw/zinc/33/70/38/473337038.db2.gz BOTPYAIURMYQPX-HXUWFJFHSA-N 1 1 338.455 2.514 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096202302 473339081 /nfs/dbraw/zinc/33/90/81/473339081.db2.gz QLOTZQPMBFTXSR-SFHVURJKSA-N 1 1 344.484 2.575 40 0 EFABMO c1cc(CN2CCOC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cs1 ZINC000096202099 473338360 /nfs/dbraw/zinc/33/83/60/473338360.db2.gz GOFIWLHKZLSECT-LJQANCHMSA-N 1 1 343.496 2.868 40 0 EFABMO Fc1ccc(CN2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202041 473338775 /nfs/dbraw/zinc/33/87/75/473338775.db2.gz IKOZMKMLIKDVEA-HXUWFJFHSA-N 1 1 348.462 2.529 40 0 EFABMO Cc1cccc(CN2CCOC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202063 473338951 /nfs/dbraw/zinc/33/89/51/473338951.db2.gz AODHKFAVVHBZCC-OAQYLSRUSA-N 1 1 344.499 2.698 40 0 EFABMO CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2cn(CC3CC3)nc21 ZINC000096198157 473334668 /nfs/dbraw/zinc/33/46/68/473334668.db2.gz UZKUYUKRNBJIPW-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2cn(CC3CC3)nc21 ZINC000096198157 473334671 /nfs/dbraw/zinc/33/46/71/473334671.db2.gz UZKUYUKRNBJIPW-SFHVURJKSA-N 1 1 326.444 2.824 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1C)CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000096207740 473343022 /nfs/dbraw/zinc/34/30/22/473343022.db2.gz UXWTYZXMGHMDDS-NFAHFFEMSA-N 1 1 334.485 2.721 40 0 EFABMO c1ncn2c1C[N@H+](Cc1ccccn1)C[C@@H](COCc1ccncc1)C2 ZINC000096208006 473343428 /nfs/dbraw/zinc/34/34/28/473343428.db2.gz SCPMOGDUULBOEI-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO c1ncn2c1C[N@@H+](Cc1ccccn1)C[C@@H](COCc1ccncc1)C2 ZINC000096208006 473343434 /nfs/dbraw/zinc/34/34/34/473343434.db2.gz SCPMOGDUULBOEI-GOSISDBHSA-N 1 1 349.438 2.522 40 0 EFABMO Cc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@@H](NC(=O)C1CC1)CCO2 ZINC000096206573 473339922 /nfs/dbraw/zinc/33/99/22/473339922.db2.gz PJUDSEMJGUDPFT-AZUAARDMSA-N 1 1 328.456 2.645 40 0 EFABMO c1cc(CO[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)ccn1 ZINC000096209341 473344051 /nfs/dbraw/zinc/34/40/51/473344051.db2.gz JZJBXUOYSIJMPJ-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO Cc1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccsc4)CCO[C@@H]3C2)n1 ZINC000096209723 473344259 /nfs/dbraw/zinc/34/42/59/473344259.db2.gz QMVPVCNGNPNXDD-PKOBYXMFSA-N 1 1 343.496 2.784 40 0 EFABMO Cc1cccc(C[N@@H+]2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)n1 ZINC000096209723 473344265 /nfs/dbraw/zinc/34/42/65/473344265.db2.gz QMVPVCNGNPNXDD-PKOBYXMFSA-N 1 1 343.496 2.784 40 0 EFABMO Cc1cccc(C[N@H+]2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)n1 ZINC000096209723 473344274 /nfs/dbraw/zinc/34/42/74/473344274.db2.gz QMVPVCNGNPNXDD-PKOBYXMFSA-N 1 1 343.496 2.784 40 0 EFABMO CO[C@@H]1CCN(Cc2ccsc2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096208825 473344320 /nfs/dbraw/zinc/34/43/20/473344320.db2.gz KOCLSUVSOXBCNR-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CC[N@H+](Cc2ccsc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096208825 473344326 /nfs/dbraw/zinc/34/43/26/473344326.db2.gz KOCLSUVSOXBCNR-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO CO[C@@H]1CC[N@@H+](Cc2ccsc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096208825 473344333 /nfs/dbraw/zinc/34/43/33/473344333.db2.gz KOCLSUVSOXBCNR-IPMKNSEASA-N 1 1 343.496 2.864 40 0 EFABMO O=C(C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21)N1CCCC1 ZINC000096208336 473344440 /nfs/dbraw/zinc/34/44/40/473344440.db2.gz ZMVACJKZOQNMGG-ZACQAIPSSA-N 1 1 334.485 2.598 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)nc1 ZINC000096208387 473345782 /nfs/dbraw/zinc/34/57/82/473345782.db2.gz VGLLHGVAJIKWBW-QUCCMNQESA-N 1 1 338.455 2.960 40 0 EFABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)N1CCCC1 ZINC000096209325 473345814 /nfs/dbraw/zinc/34/58/14/473345814.db2.gz XLIFRYPYZXPAGC-AZUAARDMSA-N 1 1 343.471 2.616 40 0 EFABMO Cn1cccc1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cccnc2)C1 ZINC000096214900 473346207 /nfs/dbraw/zinc/34/62/07/473346207.db2.gz VRQWZIQBWLJYRX-FQEVSTJZSA-N 1 1 338.455 2.691 40 0 EFABMO COC[C@H]1C[N@@H+](C)C[C@@]12CCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000096215856 473346562 /nfs/dbraw/zinc/34/65/62/473346562.db2.gz XRYRVQAQANXRSG-TZIWHRDSSA-N 1 1 338.451 2.880 40 0 EFABMO CN(C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216490 473347349 /nfs/dbraw/zinc/34/73/49/473347349.db2.gz NFVRGRDFZLZWDN-IBGZPJMESA-N 1 1 331.460 2.535 40 0 EFABMO Cc1cccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1 ZINC000096209766 473347987 /nfs/dbraw/zinc/34/79/87/473347987.db2.gz NVOIZOWVZIMJKW-TZIWHRDSSA-N 1 1 342.483 2.816 40 0 EFABMO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096216846 473349490 /nfs/dbraw/zinc/34/94/90/473349490.db2.gz JGJSOIXEVGKTGM-QGZVFWFLSA-N 1 1 329.473 2.734 40 0 EFABMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cs1 ZINC000096216846 473349497 /nfs/dbraw/zinc/34/94/97/473349497.db2.gz JGJSOIXEVGKTGM-QGZVFWFLSA-N 1 1 329.473 2.734 40 0 EFABMO COc1cccc(C[N@H+]2CC[C@@H](Oc3ccccn3)[C@H]3OCC[C@@H]32)c1 ZINC000096217783 473349970 /nfs/dbraw/zinc/34/99/70/473349970.db2.gz PVFACTBLBWVHRN-NSHGMRRFSA-N 1 1 340.423 2.901 40 0 EFABMO Cc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)nn1 ZINC000096219495 473351308 /nfs/dbraw/zinc/35/13/08/473351308.db2.gz DAJPQBWOAQOSTH-RHSMWYFYSA-N 1 1 330.457 2.692 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cncn2C)C3)c1 ZINC000096222745 473354775 /nfs/dbraw/zinc/35/47/75/473354775.db2.gz GABAZHLYABIGGI-UYAOXDASSA-N 1 1 340.471 2.964 40 0 EFABMO Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4cccs4)C3)C2=O)cn1 ZINC000096224627 473355499 /nfs/dbraw/zinc/35/54/99/473355499.db2.gz XHKYNXVXRRAJFD-QGZVFWFLSA-N 1 1 330.457 2.501 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cncn2C)C3)c1 ZINC000096222753 473356080 /nfs/dbraw/zinc/35/60/80/473356080.db2.gz GABAZHLYABIGGI-ICSRJNTNSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222720 473356258 /nfs/dbraw/zinc/35/62/58/473356258.db2.gz ONWHCLWEPSRFDZ-WOJBJXKFSA-N 1 1 340.471 2.964 40 0 EFABMO O=C(Nc1cccnc1)C1=NO[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC000096226047 473357005 /nfs/dbraw/zinc/35/70/05/473357005.db2.gz DSPZUUUFGCXVBM-IBGZPJMESA-N 1 1 342.443 2.821 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)NCC(C)C)=NO3)C2)cc1C ZINC000096225468 473357452 /nfs/dbraw/zinc/35/74/52/473357452.db2.gz QVFOXQFYUFSDIU-FQEVSTJZSA-N 1 1 343.471 2.796 40 0 EFABMO CC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228867 473359006 /nfs/dbraw/zinc/35/90/06/473359006.db2.gz VBDZNRPKWPJAEK-FQEVSTJZSA-N 1 1 341.455 2.742 40 0 EFABMO O=C(c1ccsc1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228813 473359581 /nfs/dbraw/zinc/35/95/81/473359581.db2.gz WOMYHRHNPXDNNX-GOSISDBHSA-N 1 1 334.485 2.713 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3cccnc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239054 473360599 /nfs/dbraw/zinc/36/05/99/473360599.db2.gz GXXXALWYROXTEU-LJQANCHMSA-N 1 1 343.377 2.989 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccncc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239056 473360619 /nfs/dbraw/zinc/36/06/19/473360619.db2.gz JSVIEJGIYMYALO-LJQANCHMSA-N 1 1 343.377 2.989 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3cccnc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239053 473360714 /nfs/dbraw/zinc/36/07/14/473360714.db2.gz GXXXALWYROXTEU-IBGZPJMESA-N 1 1 343.377 2.989 40 0 EFABMO Cc1cccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(N(C)C)nc23)c1 ZINC000096244002 473362381 /nfs/dbraw/zinc/36/23/81/473362381.db2.gz HFVIAOICEFGKNA-HXUWFJFHSA-N 1 1 338.455 2.525 40 0 EFABMO Cc1cccc(N2C[C@@H]3C(=O)N(Cc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC000096245305 473364356 /nfs/dbraw/zinc/36/43/56/473364356.db2.gz OKLXNCLAQQICOE-RDJZCZTQSA-N 1 1 325.387 2.624 40 0 EFABMO Cc1nc(CN2CCO[C@H]3CC[N@@H+](Cc4ccco4)CC[C@@H]32)cs1 ZINC000096249401 473365184 /nfs/dbraw/zinc/36/51/84/473365184.db2.gz RFZHUHIOIKVRKC-ROUUACIJSA-N 1 1 347.484 2.910 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)n1 ZINC000096249431 473365558 /nfs/dbraw/zinc/36/55/58/473365558.db2.gz SVYFEFFWIBHZCO-WOJBJXKFSA-N 1 1 338.455 2.655 40 0 EFABMO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(OC)cc4)C[C@@H]32)C1=O ZINC000096261430 473369936 /nfs/dbraw/zinc/36/99/36/473369936.db2.gz UUDJOVCNNWVTTG-IMFGXOCKSA-N 1 1 341.455 2.556 40 0 EFABMO COc1ccc2c3c1O[C@]1(C)C(OC)=CC=C4[C@@H](C2)[N@@H+](C)CC[C@@]341 ZINC000096316371 473375543 /nfs/dbraw/zinc/37/55/43/473375543.db2.gz KMOSBWXKMZKJPU-XMCHAPAWSA-N 1 1 325.408 2.815 40 0 biogenic,in-vitro EFABMO c1c[nH+]c([C@H]2CCCN(c3cc(-c4ccccc4)nc4ncnn43)C2)[nH]1 ZINC000096403715 473380830 /nfs/dbraw/zinc/38/08/30/473380830.db2.gz VTWACGGAHRLREY-HNNXBMFYSA-N 1 1 345.410 2.898 40 0 EFABMO O=C(N[C@H](c1ccco1)c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000096404181 473381186 /nfs/dbraw/zinc/38/11/86/473381186.db2.gz KUHFMBUQFNNMNT-SFHVURJKSA-N 1 1 325.412 2.859 40 0 EFABMO O=C(C[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)Nc1ccccc1F ZINC000096402526 473379204 /nfs/dbraw/zinc/37/92/04/473379204.db2.gz JYAITQTWTJCBNG-KGLIPLIRSA-N 1 1 338.448 2.751 40 0 EFABMO O=C(C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)Nc1ccccc1F ZINC000096402526 473379210 /nfs/dbraw/zinc/37/92/10/473379210.db2.gz JYAITQTWTJCBNG-KGLIPLIRSA-N 1 1 338.448 2.751 40 0 EFABMO Cc1cc(C[N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)on1 ZINC000096407766 473385118 /nfs/dbraw/zinc/38/51/18/473385118.db2.gz FULTUBFTXDLJNE-LBPRGKRZSA-N 1 1 344.333 2.874 40 0 EFABMO Cc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)on1 ZINC000096407766 473385126 /nfs/dbraw/zinc/38/51/26/473385126.db2.gz FULTUBFTXDLJNE-LBPRGKRZSA-N 1 1 344.333 2.874 40 0 EFABMO CCO[C@@H](C)c1nc(C[N@H+](C)C2(CO)CCSCC2)cs1 ZINC000096413233 473391580 /nfs/dbraw/zinc/39/15/80/473391580.db2.gz SGPCGIKHHFONEN-LBPRGKRZSA-N 1 1 330.519 2.931 40 0 EFABMO CCO[C@@H](C)c1nc(C[N@@H+](C)C2(CO)CCSCC2)cs1 ZINC000096413233 473391586 /nfs/dbraw/zinc/39/15/86/473391586.db2.gz SGPCGIKHHFONEN-LBPRGKRZSA-N 1 1 330.519 2.931 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000000000251 471316938 /nfs/dbraw/zinc/31/69/38/471316938.db2.gz LMXFPUVUUSHCMM-LJQANCHMSA-N 1 1 338.451 2.523 40 0 in-man EFABMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000004305225 471462137 /nfs/dbraw/zinc/46/21/37/471462137.db2.gz RGKJDDDODPIFDE-ROUUACIJSA-N 1 1 349.471 2.627 40 0 EFABMO C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)C[C@H](C)O1 ZINC000004429623 471465678 /nfs/dbraw/zinc/46/56/78/471465678.db2.gz VMXCZTWKHLYJMM-JENIJYKNSA-N 1 1 330.472 2.577 40 0 EFABMO CCCNC(=O)NC(=O)C[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000007926748 471647304 /nfs/dbraw/zinc/64/73/04/471647304.db2.gz BBHSUFYATMUFJN-UHFFFAOYSA-N 1 1 343.427 2.516 40 0 EFABMO CCCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000007926748 471647310 /nfs/dbraw/zinc/64/73/10/471647310.db2.gz BBHSUFYATMUFJN-UHFFFAOYSA-N 1 1 343.427 2.516 40 0 EFABMO Cc1cccc(CS(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000008896872 471706663 /nfs/dbraw/zinc/70/66/63/471706663.db2.gz NEQHMBKUHVYJCS-MRXNPFEDSA-N 1 1 338.498 2.779 40 0 EFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)CO[C@@H]1CCC[C@@H]1C)CC2 ZINC000010434949 471735712 /nfs/dbraw/zinc/73/57/12/471735712.db2.gz HZKWJLGDBRNGQP-BMGDILEWSA-N 1 1 349.471 2.628 40 0 EFABMO O=C1NC[C@]2(CCC[N@@H+](CCc3ccccc3)C2)Oc2ccccc21 ZINC000012086790 471763933 /nfs/dbraw/zinc/76/39/33/471763933.db2.gz RBEJOPKINPIWEV-NRFANRHFSA-N 1 1 336.435 2.886 40 0 EFABMO Fc1ccc(C[N@H+]2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)cc1 ZINC000012142285 471766107 /nfs/dbraw/zinc/76/61/07/471766107.db2.gz QGFQTSUMQAUSNB-KRWDZBQOSA-N 1 1 338.390 2.539 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(-c3ccccn3)n[nH]2)C1 ZINC000012147446 471766460 /nfs/dbraw/zinc/76/64/60/471766460.db2.gz KURVMZXVMYRTKZ-GASCZTMLSA-N 1 1 341.459 2.570 40 0 EFABMO C[C@]12C[N@@H+](CCc3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000012366427 471773479 /nfs/dbraw/zinc/77/34/79/471773479.db2.gz ZIOFEKFTFVWGAO-NQIIRXRSSA-N 1 1 334.419 2.546 40 0 EFABMO CCn1cc[nH+]c1N1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000012444622 471776736 /nfs/dbraw/zinc/77/67/36/471776736.db2.gz FIZAGVPWHCKINL-UHFFFAOYSA-N 1 1 326.444 2.575 40 0 EFABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4ccc(O)cc4)C3)cc(N)n2n1 ZINC000012667337 471788721 /nfs/dbraw/zinc/78/87/21/471788721.db2.gz AJSMCEJNMHBPKG-OAHLLOKOSA-N 1 1 337.427 2.705 40 0 EFABMO O=C([C@@H]1CCC[N@H+](C[C@H](O)c2cccs2)C1)N1CCCCCC1 ZINC000019342963 471979707 /nfs/dbraw/zinc/97/97/07/471979707.db2.gz JNIBHYAJTCUVJN-CVEARBPZSA-N 1 1 336.501 2.896 40 0 EFABMO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401707 471980483 /nfs/dbraw/zinc/98/04/83/471980483.db2.gz LDJWXELWRJIEJK-MRXNPFEDSA-N 1 1 347.422 2.607 40 0 EFABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1N(C)C ZINC000019712038 471983129 /nfs/dbraw/zinc/98/31/29/471983129.db2.gz FXTCVAQYMJGTPO-MSOLQXFVSA-N 1 1 330.476 2.513 40 0 EFABMO CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc(NCCOC)nc2)no1 ZINC000035425205 471997098 /nfs/dbraw/zinc/99/70/98/471997098.db2.gz JKSPPVMSGLAQQV-AWEZNQCLSA-N 1 1 331.420 2.737 40 0 biogenic,in-vitro EFABMO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000036025344 471998116 /nfs/dbraw/zinc/99/81/16/471998116.db2.gz VECLMGKGWXLRCE-ZBLLQYKHSA-N 1 1 327.509 2.934 40 0 EFABMO CN1C(=O)c2ccccc2[C@H](O)[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000036743753 472005519 /nfs/dbraw/zinc/00/55/19/472005519.db2.gz CDVBKHQCSLCOAU-ZJOUEHCJSA-N 1 1 336.435 2.696 40 0 EFABMO COc1ccc(CCNC(=S)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036847512 472007509 /nfs/dbraw/zinc/00/75/09/472007509.db2.gz FWSQFPQSUBOLNV-HOTGVXAUSA-N 1 1 349.544 2.965 40 0 EFABMO COCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832986 472022269 /nfs/dbraw/zinc/02/22/69/472022269.db2.gz WAIVGNCWLPAQFJ-CYBMUJFWSA-N 1 1 345.270 2.968 40 0 EFABMO COCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832986 472022272 /nfs/dbraw/zinc/02/22/72/472022272.db2.gz WAIVGNCWLPAQFJ-CYBMUJFWSA-N 1 1 345.270 2.968 40 0 EFABMO O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000040464619 472033320 /nfs/dbraw/zinc/03/33/20/472033320.db2.gz MQRHMFSVQILKSB-QGZVFWFLSA-N 1 1 348.450 2.886 40 0 EFABMO CCN1CC[NH+](C[C@H](O)COc2ccc(C)cc2C(C)(C)C)CC1 ZINC000026781109 472148157 /nfs/dbraw/zinc/14/81/57/472148157.db2.gz IZINOHBVYPAOQF-KRWDZBQOSA-N 1 1 334.504 2.670 40 0 EFABMO CC(C)[N@H+]1CCCN(C(=O)c2ncccc2OCC(F)(F)F)CC1 ZINC000084187296 472154757 /nfs/dbraw/zinc/15/47/57/472154757.db2.gz NXQSIROWDBPGRW-UHFFFAOYSA-N 1 1 345.365 2.579 40 0 EFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)NC1CCCCC1 ZINC000055337807 472169683 /nfs/dbraw/zinc/16/96/83/472169683.db2.gz FJQDCHVTEFZOJY-UHFFFAOYSA-N 1 1 331.460 2.651 40 0 EFABMO CCc1[nH+]ccn1CC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000085436356 472248214 /nfs/dbraw/zinc/24/82/14/472248214.db2.gz RPHVWUBBDIDOFG-UHFFFAOYSA-N 1 1 347.484 2.855 40 0 EFABMO Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000044883834 472346529 /nfs/dbraw/zinc/34/65/29/472346529.db2.gz FNZHNQZZKRUMHR-UHFFFAOYSA-N 1 1 345.399 2.798 40 0 EFABMO COc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000044888945 472347809 /nfs/dbraw/zinc/34/78/09/472347809.db2.gz UBXCSAGJDDSZDS-MRXNPFEDSA-N 1 1 340.423 2.708 40 0 EFABMO C[N@@H+](CCOc1ccccc1)Cc1cnc(N2CCCCC2)nc1 ZINC000057811524 472478317 /nfs/dbraw/zinc/47/83/17/472478317.db2.gz VTUBYBGTFAZWHW-UHFFFAOYSA-N 1 1 326.444 2.978 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC1=CCOCC1 ZINC000097378424 472494379 /nfs/dbraw/zinc/49/43/79/472494379.db2.gz VVUZWWUATXCKBM-LPHOPBHVSA-N 1 1 343.471 2.543 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H](C(=O)NCC3CC3)C[C@H]3OCC[C@H]32)cc1 ZINC000097953406 472512529 /nfs/dbraw/zinc/51/25/29/472512529.db2.gz FMLBVXOTFPZJFV-GUDVDZBRSA-N 1 1 328.456 2.501 40 0 EFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000072227087 472634180 /nfs/dbraw/zinc/63/41/80/472634180.db2.gz NTSVLSVJOQNZKH-SJORKVTESA-N 1 1 346.814 2.768 40 0 EFABMO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2c[nH+]c(N)c(C)c2)cc1 ZINC000072218450 472634211 /nfs/dbraw/zinc/63/42/11/472634211.db2.gz MHNOGHXHOLUDTP-INIZCTEOSA-N 1 1 331.441 2.806 40 0 EFABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000072227843 472634514 /nfs/dbraw/zinc/63/45/14/472634514.db2.gz JHWJVTCSVRULKD-ROUUACIJSA-N 1 1 326.396 2.736 40 0 EFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2cccc(Cl)c2)cc1OC ZINC000072227084 472634882 /nfs/dbraw/zinc/63/48/82/472634882.db2.gz NTSVLSVJOQNZKH-DLBZAZTESA-N 1 1 346.814 2.768 40 0 EFABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072228198 472636107 /nfs/dbraw/zinc/63/61/07/472636107.db2.gz ODOHJLPGNQBKOM-LSDHHAIUSA-N 1 1 349.203 2.999 40 0 EFABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)s1 ZINC000072228131 472636143 /nfs/dbraw/zinc/63/61/43/472636143.db2.gz FMURDHUJADJDSI-STQMWFEESA-N 1 1 337.242 2.921 40 0 EFABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000072228126 472636247 /nfs/dbraw/zinc/63/62/47/472636247.db2.gz NAWXXPUESKEHTB-LSDHHAIUSA-N 1 1 331.213 2.860 40 0 EFABMO Cc1nc(CC(=O)O[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cs1 ZINC000078719162 472758901 /nfs/dbraw/zinc/75/89/01/472758901.db2.gz HSMNPDRXJVJYAG-HNNXBMFYSA-N 1 1 346.456 2.613 40 0 EFABMO Cn1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c(-c2cccnc2)n1 ZINC000120969465 472777144 /nfs/dbraw/zinc/77/71/44/472777144.db2.gz YVKJPRLBLVDUHF-UHFFFAOYSA-N 1 1 327.476 2.881 40 0 EFABMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccnc1 ZINC000078924781 472789309 /nfs/dbraw/zinc/78/93/09/472789309.db2.gz UPFCCHWCTOWVHV-QGZVFWFLSA-N 1 1 338.455 2.540 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCc1cccnc1 ZINC000078924781 472789317 /nfs/dbraw/zinc/78/93/17/472789317.db2.gz UPFCCHWCTOWVHV-QGZVFWFLSA-N 1 1 338.455 2.540 40 0 EFABMO CC(=O)c1c(F)cccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000078987907 472801204 /nfs/dbraw/zinc/80/12/04/472801204.db2.gz TXPPEVRAMXJKNT-UHFFFAOYSA-N 1 1 334.435 2.967 40 0 EFABMO Cc1nnc2ccc(NC[C@@H]3CCC[N@H+](C)[C@@H]3c3ccccc3)nn12 ZINC000079089950 472817782 /nfs/dbraw/zinc/81/77/82/472817782.db2.gz AHRGWWBWFOIISE-QFBILLFUSA-N 1 1 336.443 2.928 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C[C@H](O)C(F)(F)F ZINC000121444852 472853590 /nfs/dbraw/zinc/85/35/90/472853590.db2.gz KSMAZCXJJDTNFJ-KBMXLJTQSA-N 1 1 330.394 2.752 40 0 EFABMO NCC[N@@H+](C1CC1)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391878 472856016 /nfs/dbraw/zinc/85/60/16/472856016.db2.gz PLGLNKBBQXNZGL-UHFFFAOYSA-N 1 1 331.460 2.647 40 0 EFABMO [NH3+]CCN(C1CC1)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391878 472856022 /nfs/dbraw/zinc/85/60/22/472856022.db2.gz PLGLNKBBQXNZGL-UHFFFAOYSA-N 1 1 331.460 2.647 40 0 EFABMO O=C(NC1CCC([N@@H+](CCO)C2CC2)CC1)OCc1ccccc1 ZINC000079390933 472856099 /nfs/dbraw/zinc/85/60/99/472856099.db2.gz ASKXXIQRRRYJQK-UHFFFAOYSA-N 1 1 332.444 2.681 40 0 EFABMO O=c1[nH]ncc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1Cl ZINC000064550877 472862107 /nfs/dbraw/zinc/86/21/07/472862107.db2.gz HZYHRYKOMFTELP-NSHDSACASA-N 1 1 338.864 2.809 40 0 EFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000073743275 472866293 /nfs/dbraw/zinc/86/62/93/472866293.db2.gz NVFXMJRRAQMWFI-CQSZACIVSA-N 1 1 331.460 2.523 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073743312 472866775 /nfs/dbraw/zinc/86/67/75/472866775.db2.gz LLJQXLOLNPSYTN-INIZCTEOSA-N 1 1 331.460 2.523 40 0 EFABMO C[C@H]1C[C@H](NC(=O)Nc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000079778793 472922061 /nfs/dbraw/zinc/92/20/61/472922061.db2.gz VAFDTSLKQUGORT-GOEBONIOSA-N 1 1 327.432 2.595 40 0 EFABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](C4CCOCC4)C3)o2)cc1 ZINC000049170235 472933691 /nfs/dbraw/zinc/93/36/91/472933691.db2.gz JVLSTXYNIPCEDP-HNNXBMFYSA-N 1 1 342.443 2.771 40 0 biogenic,in-vitro EFABMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000049761421 472963252 /nfs/dbraw/zinc/96/32/52/472963252.db2.gz LDISIUFQTFNPNA-SFHVURJKSA-N 1 1 344.499 2.973 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1cccs1 ZINC000065750485 473005704 /nfs/dbraw/zinc/00/57/04/473005704.db2.gz BFABXZUMGIZEDO-UHFFFAOYSA-N 1 1 333.438 2.721 40 0 EFABMO CCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000074691501 473049739 /nfs/dbraw/zinc/04/97/39/473049739.db2.gz HNHBJDAQZJUJRN-UHFFFAOYSA-N 1 1 346.862 2.905 40 0 EFABMO CCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000074691501 473049745 /nfs/dbraw/zinc/04/97/45/473049745.db2.gz HNHBJDAQZJUJRN-UHFFFAOYSA-N 1 1 346.862 2.905 40 0 EFABMO c1ccc(-c2cccc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)c2)nc1 ZINC000093664893 473133555 /nfs/dbraw/zinc/13/35/55/473133555.db2.gz XJBPCPLBULENAR-LJQANCHMSA-N 1 1 337.467 2.903 40 0 EFABMO CC[C@H](C(=O)N1CCC[N@@H+](CCn2cccn2)CC1)c1ccccc1 ZINC000075162616 473142765 /nfs/dbraw/zinc/14/27/65/473142765.db2.gz LSLWXCROHMOCIX-IBGZPJMESA-N 1 1 340.471 2.611 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSC(C)(C)C ZINC000110597949 473165336 /nfs/dbraw/zinc/16/53/36/473165336.db2.gz AAFSRAINGCPTQI-GOEBONIOSA-N 1 1 335.517 2.940 40 0 EFABMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000110661870 473169613 /nfs/dbraw/zinc/16/96/13/473169613.db2.gz MVKUORFKUHHYEP-HOCLYGCPSA-N 1 1 342.395 2.665 40 0 EFABMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)n1 ZINC000110698997 473172453 /nfs/dbraw/zinc/17/24/53/473172453.db2.gz KPKDQJFCCUBMLL-HOCLYGCPSA-N 1 1 344.484 2.868 40 0 EFABMO C[C@@H](c1ccccc1)n1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000110698997 473172461 /nfs/dbraw/zinc/17/24/61/473172461.db2.gz KPKDQJFCCUBMLL-HOCLYGCPSA-N 1 1 344.484 2.868 40 0 EFABMO C[C@@H](CO)[N@@H+](CCO)CCCc1ccc(COc2ccccc2)cc1 ZINC000095101099 473189405 /nfs/dbraw/zinc/18/94/05/473189405.db2.gz GHGRLXQXHXTUFU-SFHVURJKSA-N 1 1 343.467 2.873 40 0 EFABMO C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1cccs1 ZINC000096414798 473393817 /nfs/dbraw/zinc/39/38/17/473393817.db2.gz PFQAVSGIVSYHHY-UHFFFAOYSA-N 1 1 325.455 2.662 40 0 EFABMO C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1cccs1 ZINC000096414798 473393823 /nfs/dbraw/zinc/39/38/23/473393823.db2.gz PFQAVSGIVSYHHY-UHFFFAOYSA-N 1 1 325.455 2.662 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(Nc2cnccn2)c1 ZINC000096414310 473394428 /nfs/dbraw/zinc/39/44/28/473394428.db2.gz ZBAMVTHOULMFQX-UHFFFAOYSA-N 1 1 336.399 2.545 40 0 EFABMO C[C@H](C(=O)N1CCCC1)[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000096414971 473394682 /nfs/dbraw/zinc/39/46/82/473394682.db2.gz NKDBVGAVCOFFDP-ZBFHGGJFSA-N 1 1 332.419 2.731 40 0 EFABMO C[C@H](C(=O)N1CCCC1)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000096414971 473394685 /nfs/dbraw/zinc/39/46/85/473394685.db2.gz NKDBVGAVCOFFDP-ZBFHGGJFSA-N 1 1 332.419 2.731 40 0 EFABMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2c(C)nn(C)c2C)C12CCCC2 ZINC000096419718 473398385 /nfs/dbraw/zinc/39/83/85/473398385.db2.gz PFWALTLLWHESNK-CVEARBPZSA-N 1 1 348.491 2.645 40 0 EFABMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)n1cccn1 ZINC000096423080 473401092 /nfs/dbraw/zinc/40/10/92/473401092.db2.gz ZKCXIAUNGKQOHT-YCPHGPKFSA-N 1 1 332.473 2.705 40 0 EFABMO CC[C@@]1(C)CN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCO1 ZINC000190822385 473401610 /nfs/dbraw/zinc/40/16/10/473401610.db2.gz GRASBDFWZKUIFY-FCEWJHQRSA-N 1 1 337.508 2.850 40 0 EFABMO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424311 473402211 /nfs/dbraw/zinc/40/22/11/473402211.db2.gz ATRFTBDBEAFKDS-AUUYWEPGSA-N 1 1 347.409 2.772 40 0 EFABMO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2nc3c(cccc3F)[nH]2)CC1 ZINC000096424284 473402291 /nfs/dbraw/zinc/40/22/91/473402291.db2.gz PKJMVRLCRXCDOI-AWEZNQCLSA-N 1 1 339.418 2.976 40 0 EFABMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000096426456 473404895 /nfs/dbraw/zinc/40/48/95/473404895.db2.gz QLUZGCJLVFMORQ-MRXNPFEDSA-N 1 1 339.439 2.732 40 0 EFABMO CC[N@@H+](C)CCNc1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000096429274 473408784 /nfs/dbraw/zinc/40/87/84/473408784.db2.gz SVFHOQAKMGNSSX-UHFFFAOYSA-N 1 1 325.338 2.921 40 0 EFABMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000096430957 473409370 /nfs/dbraw/zinc/40/93/70/473409370.db2.gz LPRGMBQYWCYVBJ-OAHLLOKOSA-N 1 1 334.435 2.824 40 0 EFABMO Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1F ZINC000096434655 473413683 /nfs/dbraw/zinc/41/36/83/473413683.db2.gz QRAFGOPNNSTERB-UHFFFAOYSA-N 1 1 336.455 2.624 40 0 EFABMO Cc1cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)ccc1F ZINC000096434655 473413686 /nfs/dbraw/zinc/41/36/86/473413686.db2.gz QRAFGOPNNSTERB-UHFFFAOYSA-N 1 1 336.455 2.624 40 0 EFABMO COCc1csc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000096435557 473415011 /nfs/dbraw/zinc/41/50/11/473415011.db2.gz XKWGBVLECOKGHU-UHFFFAOYSA-N 1 1 346.456 2.639 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)N3CCS[C@H](C)[C@@H]3C)CC2)[nH+]c1 ZINC000096440808 473418649 /nfs/dbraw/zinc/41/86/49/473418649.db2.gz JHNLMRNXWWKNRW-LSDHHAIUSA-N 1 1 348.516 2.894 40 0 EFABMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000096441550 473419740 /nfs/dbraw/zinc/41/97/40/473419740.db2.gz OODVFFXHOXTJAC-NSHDSACASA-N 1 1 335.395 2.766 40 0 EFABMO Cc1c(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cnn1C ZINC000096443922 473420805 /nfs/dbraw/zinc/42/08/05/473420805.db2.gz YVYOSXMDPZCNSW-CQSZACIVSA-N 1 1 342.443 2.701 40 0 EFABMO CC(C)c1[nH+]ccn1CCC(=O)N1CCCC[C@@H]1C(=O)NC(C)(C)C ZINC000096444527 473422750 /nfs/dbraw/zinc/42/27/50/473422750.db2.gz BKYNVEMLSYOBHG-OAHLLOKOSA-N 1 1 348.491 2.692 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000096445550 473424088 /nfs/dbraw/zinc/42/40/88/473424088.db2.gz FCALPMOWVWGKNR-UZLBHIALSA-N 1 1 347.478 2.763 40 0 EFABMO CC(C)OCC[NH+]1CCN(C(=O)Nc2cc(C(C)(C)C)on2)CC1 ZINC000096445963 473424252 /nfs/dbraw/zinc/42/42/52/473424252.db2.gz JDDDVEHEYRQOIG-UHFFFAOYSA-N 1 1 338.452 2.547 40 0 EFABMO O=C(NCC[S@](=O)c1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452088 473428362 /nfs/dbraw/zinc/42/83/62/473428362.db2.gz VMNNAMKUSSWFAV-VOIUYBSRSA-N 1 1 348.512 2.565 40 0 EFABMO CCc1ncc(C(=O)N(Cc2ccccc2F)C2CC[NH+](C)CC2)[nH]1 ZINC000096454307 473429920 /nfs/dbraw/zinc/42/99/20/473429920.db2.gz CDZROTOENDVRED-UHFFFAOYSA-N 1 1 344.434 2.848 40 0 EFABMO Cc1cc(N2CCC(NC(=O)NCc3cccs3)CC2)nc(C)[nH+]1 ZINC000096454983 473431073 /nfs/dbraw/zinc/43/10/73/473431073.db2.gz HJFOKDAQZCYSAL-UHFFFAOYSA-N 1 1 345.472 2.623 40 0 EFABMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000096461086 473433697 /nfs/dbraw/zinc/43/36/97/473433697.db2.gz KXNNOKBQXNUZBE-AWEZNQCLSA-N 1 1 336.457 2.785 40 0 EFABMO CC[C@H](C)NC(=O)c1cccc(CNc2nc(N(C)C)cc[nH+]2)c1 ZINC000096482692 473441672 /nfs/dbraw/zinc/44/16/72/473441672.db2.gz ZGDFAMQUQJXCBA-ZDUSSCGKSA-N 1 1 327.432 2.683 40 0 EFABMO COC[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485949 473444457 /nfs/dbraw/zinc/44/44/57/473444457.db2.gz FEPMXSHENAYPHZ-NORZTCDRSA-N 1 1 342.842 2.871 40 0 EFABMO Cc1cnc(N2CCC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc1C ZINC000096486642 473444955 /nfs/dbraw/zinc/44/49/55/473444955.db2.gz VZLQZIPBGNMELX-SFHVURJKSA-N 1 1 325.460 2.837 40 0 EFABMO CCCS(=O)(=O)NC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000096489687 473445642 /nfs/dbraw/zinc/44/56/42/473445642.db2.gz IILJGZNNZZJFIG-ONEGZZNKSA-N 1 1 340.464 2.633 40 0 EFABMO CCOC[C@H]1CC[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000096490072 473446322 /nfs/dbraw/zinc/44/63/22/473446322.db2.gz HCSHAMATOVPXRP-LBPRGKRZSA-N 1 1 338.814 2.918 40 0 EFABMO CCOC[C@H]1CC[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C1 ZINC000096490072 473446328 /nfs/dbraw/zinc/44/63/28/473446328.db2.gz HCSHAMATOVPXRP-LBPRGKRZSA-N 1 1 338.814 2.918 40 0 EFABMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(-c3cccnc3)s2)C1 ZINC000096489773 473446854 /nfs/dbraw/zinc/44/68/54/473446854.db2.gz HSFNFFMEVPEHIF-CQSZACIVSA-N 1 1 346.456 2.916 40 0 EFABMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccnc3)s2)C1 ZINC000096489773 473446860 /nfs/dbraw/zinc/44/68/60/473446860.db2.gz HSFNFFMEVPEHIF-CQSZACIVSA-N 1 1 346.456 2.916 40 0 EFABMO C[C@H]1C[C@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@H+]1C1CC1 ZINC000096494729 473450968 /nfs/dbraw/zinc/45/09/68/473450968.db2.gz OJWDBIMJXXMDKB-JQWIXIFHSA-N 1 1 341.377 2.871 40 0 EFABMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1ncc(Cl)cn1 ZINC000096500781 473453431 /nfs/dbraw/zinc/45/34/31/473453431.db2.gz KHBBLDJIUHOEQP-INIZCTEOSA-N 1 1 332.835 2.699 40 0 EFABMO C[N@H+]1CC[C@H](CSc2ncnc3c2cnn3Cc2ccccc2)C1 ZINC000191204073 473506966 /nfs/dbraw/zinc/50/69/66/473506966.db2.gz VWDKEQQXMQNFKU-HNNXBMFYSA-N 1 1 339.468 2.918 40 0 EFABMO O=C(NCc1nccn1Cc1ccccc1)c1c([O-])cccc1F ZINC000126732294 473541206 /nfs/dbraw/zinc/54/12/06/473541206.db2.gz VKSVNXSRTMQHLT-UHFFFAOYSA-N 1 1 325.343 2.706 40 0 EFABMO CN(C)c1noc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000192742620 473717655 /nfs/dbraw/zinc/71/76/55/473717655.db2.gz NGHKPQHCDRSJRN-KBPBESRZSA-N 1 1 334.420 2.597 40 0 EFABMO CN(C)c1noc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 ZINC000192742620 473717662 /nfs/dbraw/zinc/71/76/62/473717662.db2.gz NGHKPQHCDRSJRN-KBPBESRZSA-N 1 1 334.420 2.597 40 0 EFABMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@@H](C)C1 ZINC000195530981 474090205 /nfs/dbraw/zinc/09/02/05/474090205.db2.gz SWBYJJDDYXSHNL-YOEHRIQHSA-N 1 1 347.484 2.586 40 0 EFABMO C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000195531999 474090333 /nfs/dbraw/zinc/09/03/33/474090333.db2.gz JLPJSNZCSGRQRN-RBUKOAKNSA-N 1 1 345.487 2.577 40 0 EFABMO CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000195530938 474090355 /nfs/dbraw/zinc/09/03/55/474090355.db2.gz HRZRBEIPJPMQGE-MOPGFXCFSA-N 1 1 330.472 2.926 40 0 EFABMO C[N@H+]1CCC[C@H](CN[C@@H](C(N)=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000195531268 474090591 /nfs/dbraw/zinc/09/05/91/474090591.db2.gz MUAFWYMDBAZTJO-KBAYOESNSA-N 1 1 343.496 2.947 40 0 EFABMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](C)C1 ZINC000195530325 474090824 /nfs/dbraw/zinc/09/08/24/474090824.db2.gz MRZNTBPLLSWREB-LPHOPBHVSA-N 1 1 347.503 2.619 40 0 EFABMO O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2ccnc2)nc1 ZINC000195576387 474100149 /nfs/dbraw/zinc/10/01/49/474100149.db2.gz BZIYQKGFTJTLTL-GOSISDBHSA-N 1 1 348.406 2.699 40 0 EFABMO Fc1cccnc1O[C@H]1CSC2(C[NH+](Cc3ccccn3)C2)C1 ZINC000247529077 474174145 /nfs/dbraw/zinc/17/41/45/474174145.db2.gz OGMVQMVFJQKCIS-CQSZACIVSA-N 1 1 331.416 2.755 40 0 EFABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COCC(C)C ZINC000224740586 474199524 /nfs/dbraw/zinc/19/95/24/474199524.db2.gz HUOSCEQTYOVUMN-UHFFFAOYSA-N 1 1 334.460 2.646 40 0 EFABMO O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1c(O)cccc1F ZINC000225395372 474209198 /nfs/dbraw/zinc/20/91/98/474209198.db2.gz GOSFHACLTHVSQX-UHFFFAOYSA-N 1 1 334.416 2.987 40 0 EFABMO Cc1nnsc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000225418108 474211108 /nfs/dbraw/zinc/21/11/08/474211108.db2.gz YZSFABCRSHPGQK-CJNGLKHVSA-N 1 1 344.484 2.829 40 0 EFABMO COC(C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1)OC ZINC000225450826 474213890 /nfs/dbraw/zinc/21/38/90/474213890.db2.gz DPUKINGLQLEEPX-GOSISDBHSA-N 1 1 342.439 2.653 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2cccnc2)n1 ZINC000247819448 474214385 /nfs/dbraw/zinc/21/43/85/474214385.db2.gz CLZKCVLEESVYPG-LZLYRXPVSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2cccnc2)n1 ZINC000247819448 474214393 /nfs/dbraw/zinc/21/43/93/474214393.db2.gz CLZKCVLEESVYPG-LZLYRXPVSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2cccnc2)n1 ZINC000247819446 474214479 /nfs/dbraw/zinc/21/44/79/474214479.db2.gz CLZKCVLEESVYPG-JFIYKMOQSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2cccnc2)n1 ZINC000247819446 474214486 /nfs/dbraw/zinc/21/44/86/474214486.db2.gz CLZKCVLEESVYPG-JFIYKMOQSA-N 1 1 345.468 2.734 40 0 EFABMO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)nc1 ZINC000247849821 474215190 /nfs/dbraw/zinc/21/51/90/474215190.db2.gz OIAXVSWXHZEWGM-QGZVFWFLSA-N 1 1 334.485 2.585 40 0 EFABMO Cc1cccc(COC[C@H]2C[N@@H+](CC3CCC3)Cc3ccnn32)n1 ZINC000247867381 474218511 /nfs/dbraw/zinc/21/85/11/474218511.db2.gz JSAGUWRDUNUIDZ-LJQANCHMSA-N 1 1 326.444 2.960 40 0 EFABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccccc1F)C2 ZINC000225493927 474218717 /nfs/dbraw/zinc/21/87/17/474218717.db2.gz XWBRCRKTTXXNII-KRWDZBQOSA-N 1 1 329.419 2.732 40 0 biogenic,in-vitro EFABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccccc1F)C2 ZINC000225493927 474218720 /nfs/dbraw/zinc/21/87/20/474218720.db2.gz XWBRCRKTTXXNII-KRWDZBQOSA-N 1 1 329.419 2.732 40 0 biogenic,in-vitro EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccoc2)n1 ZINC000247885536 474222025 /nfs/dbraw/zinc/22/20/25/474222025.db2.gz RNJSETOEHWTZSP-YQQAZPJKSA-N 1 1 334.441 2.932 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccoc2)n1 ZINC000247885536 474222033 /nfs/dbraw/zinc/22/20/33/474222033.db2.gz RNJSETOEHWTZSP-YQQAZPJKSA-N 1 1 334.441 2.932 40 0 EFABMO c1cc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)co1 ZINC000247906526 474223843 /nfs/dbraw/zinc/22/38/43/474223843.db2.gz XFEOAALUYKUMGE-OTWHNJEPSA-N 1 1 328.412 2.871 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COCc2cccnc2)co1 ZINC000247906526 474223852 /nfs/dbraw/zinc/22/38/52/474223852.db2.gz XFEOAALUYKUMGE-OTWHNJEPSA-N 1 1 328.412 2.871 40 0 EFABMO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)no1 ZINC000247926069 474226782 /nfs/dbraw/zinc/22/67/82/474226782.db2.gz PMKBKFMWSLJBHL-OALUTQOASA-N 1 1 343.427 2.828 40 0 EFABMO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3cccnc3)C2)no1 ZINC000247926069 474226788 /nfs/dbraw/zinc/22/67/88/474226788.db2.gz PMKBKFMWSLJBHL-OALUTQOASA-N 1 1 343.427 2.828 40 0 EFABMO O=C([C@H]1CCC[N@H+]1CCCCC1CCOCC1)N1CCSCC1 ZINC000225626734 474230353 /nfs/dbraw/zinc/23/03/53/474230353.db2.gz XKTAVLGFWCUZEQ-QGZVFWFLSA-N 1 1 340.533 2.623 40 0 EFABMO Nc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000225615774 474230701 /nfs/dbraw/zinc/23/07/01/474230701.db2.gz GQYTZKAOFKNPDA-CYBMUJFWSA-N 1 1 338.333 2.731 40 0 EFABMO C[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000247961336 474233980 /nfs/dbraw/zinc/23/39/80/474233980.db2.gz FFCIMXGUOLIPDH-QGZVFWFLSA-N 1 1 348.512 2.959 40 0 EFABMO CC(C)CS(=O)(=O)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689805 474236841 /nfs/dbraw/zinc/23/68/41/474236841.db2.gz TUGXSROMXZYYQA-UHFFFAOYSA-N 1 1 342.530 2.556 40 0 EFABMO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccoc4)CC[C@H]32)cs1 ZINC000247997419 474242649 /nfs/dbraw/zinc/24/26/49/474242649.db2.gz AQIJKKNHIMJDJT-QZTJIDSGSA-N 1 1 347.484 2.910 40 0 EFABMO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@@H+](Cc3ccnn3C)C[C@@H]21 ZINC000248025228 474246683 /nfs/dbraw/zinc/24/66/83/474246683.db2.gz JILHQMTWRIDWPC-MOXGXCLJSA-N 1 1 341.455 2.548 40 0 EFABMO Cc1nc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccco4)CC[C@H]32)cs1 ZINC000248048001 474251584 /nfs/dbraw/zinc/25/15/84/474251584.db2.gz RFZHUHIOIKVRKC-QZTJIDSGSA-N 1 1 347.484 2.910 40 0 EFABMO CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC000248047963 474251719 /nfs/dbraw/zinc/25/17/19/474251719.db2.gz MTCGWDNPIHAOMY-AEFFLSMTSA-N 1 1 344.484 2.798 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)s1 ZINC000248124369 474261493 /nfs/dbraw/zinc/26/14/93/474261493.db2.gz WLEBBYSTXLBLCK-USXIJHARSA-N 1 1 345.468 2.905 40 0 EFABMO Cc1ccccc1C[NH+]1CC2(C1)C[C@H](Oc1cnccn1)CCO2 ZINC000248170182 474276114 /nfs/dbraw/zinc/27/61/14/474276114.db2.gz VHIDQBRMNALAMC-QGZVFWFLSA-N 1 1 325.412 2.597 40 0 EFABMO Cc1ccc2c(n1)N(CCn1cccn1)CC[N@@H+](Cc1ccco1)C2 ZINC000248327549 474288994 /nfs/dbraw/zinc/28/89/94/474288994.db2.gz ACXVZUPBCAXHTK-UHFFFAOYSA-N 1 1 337.427 2.702 40 0 EFABMO Cc1ccc2c(n1)N(CCn1cccn1)CC[N@H+](Cc1ccco1)C2 ZINC000248327549 474289002 /nfs/dbraw/zinc/28/90/02/474289002.db2.gz ACXVZUPBCAXHTK-UHFFFAOYSA-N 1 1 337.427 2.702 40 0 EFABMO CCc1nnc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)s1 ZINC000189447705 474401761 /nfs/dbraw/zinc/40/17/61/474401761.db2.gz YOSOSPQLBLGYPD-TZMCWYRMSA-N 1 1 331.445 2.667 40 0 EFABMO COc1ccc([C@@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1F ZINC000245339032 474574598 /nfs/dbraw/zinc/57/45/98/474574598.db2.gz QBYBMEIHVNAGEZ-HIFRSBDPSA-N 1 1 335.423 2.775 40 0 EFABMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc2ccccn2c1 ZINC000245343881 474574736 /nfs/dbraw/zinc/57/47/36/474574736.db2.gz WGZOUMLDLMNRQY-ATZDWAIDSA-N 1 1 341.455 2.559 40 0 EFABMO CC(C)c1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@H]3CCO)C2=O)cc1 ZINC000250584062 474633746 /nfs/dbraw/zinc/63/37/46/474633746.db2.gz XUKODHOJSYWPDW-WMZOPIPTSA-N 1 1 344.455 2.679 40 0 EFABMO CCN(C[C@@H]1CC[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1)CC(F)(F)F ZINC000252486717 474673332 /nfs/dbraw/zinc/67/33/32/474673332.db2.gz MLRGYOLSODOXHV-IAOVAPTHSA-N 1 1 342.405 2.851 40 0 EFABMO CO[C@H](C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489975 474674946 /nfs/dbraw/zinc/67/49/46/474674946.db2.gz KGPAQTQHSRUBCN-KBXCAEBGSA-N 1 1 348.468 2.715 40 0 EFABMO CO[C@@H](C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000252489976 474674978 /nfs/dbraw/zinc/67/49/78/474674978.db2.gz KGPAQTQHSRUBCN-KDOFPFPSSA-N 1 1 348.468 2.715 40 0 EFABMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC1 ZINC000252499942 474682055 /nfs/dbraw/zinc/68/20/55/474682055.db2.gz SJQBVOPWJYXGRL-ZDUSSCGKSA-N 1 1 347.390 2.616 40 0 EFABMO COC(=O)CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252511301 474689738 /nfs/dbraw/zinc/68/97/38/474689738.db2.gz ZXGVCFUBRPSVAM-RDJZCZTQSA-N 1 1 346.471 2.745 40 0 EFABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252514120 474691504 /nfs/dbraw/zinc/69/15/04/474691504.db2.gz BHXZWXOURZWQRN-OTWHNJEPSA-N 1 1 345.464 2.669 40 0 EFABMO C[C@@H]1C[N@@H+](CC2(O)CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000252581677 474697840 /nfs/dbraw/zinc/69/78/40/474697840.db2.gz LJTKZLYXNPAXOS-HUUCEWRRSA-N 1 1 326.481 2.917 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C[C@H](O)C(F)(F)F ZINC000252585737 474699193 /nfs/dbraw/zinc/69/91/93/474699193.db2.gz KSMAZCXJJDTNFJ-BMFZPTHFSA-N 1 1 330.394 2.752 40 0 EFABMO CCc1nnc(CN[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)o1 ZINC000253392947 474733092 /nfs/dbraw/zinc/73/30/92/474733092.db2.gz LCKWJGOOISXZQZ-LPHOPBHVSA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(CN[C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)o1 ZINC000253392947 474733099 /nfs/dbraw/zinc/73/30/99/474733099.db2.gz LCKWJGOOISXZQZ-LPHOPBHVSA-N 1 1 342.443 2.708 40 0 EFABMO CCc1nnc(C[NH2+][C@H]2CCN(C3CC3)[C@H]2c2cccc(OC)c2)o1 ZINC000253392947 474733104 /nfs/dbraw/zinc/73/31/04/474733104.db2.gz LCKWJGOOISXZQZ-LPHOPBHVSA-N 1 1 342.443 2.708 40 0 EFABMO CO[C@H](C)c1nsc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000253396768 474736085 /nfs/dbraw/zinc/73/60/85/474736085.db2.gz MRIACDVDVYLJEK-ZIAGYGMSSA-N 1 1 332.473 2.956 40 0 EFABMO CO[C@H](C)c1nsc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000253396768 474736094 /nfs/dbraw/zinc/73/60/94/474736094.db2.gz MRIACDVDVYLJEK-ZIAGYGMSSA-N 1 1 332.473 2.956 40 0 EFABMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3cc(Cl)ccn3n2)[C@H](C)C1 ZINC000253404275 474739864 /nfs/dbraw/zinc/73/98/64/474739864.db2.gz IHMGFIHYGMMVKP-WBMJQRKESA-N 1 1 334.851 2.790 40 0 EFABMO CC(C)C[N@H+]1CCN2[C@H](CN(C(=O)c3ccccc3F)CC2(C)C)C1 ZINC000253408578 474741918 /nfs/dbraw/zinc/74/19/18/474741918.db2.gz YFOYYPMNYVRRGP-INIZCTEOSA-N 1 1 347.478 2.702 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000253419905 474747289 /nfs/dbraw/zinc/74/72/89/474747289.db2.gz DYGDUMWMNDGAAH-AEFFLSMTSA-N 1 1 346.471 2.545 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CC(F)(F)F)[C@@H](C)C2)s1 ZINC000253419933 474747378 /nfs/dbraw/zinc/74/73/78/474747378.db2.gz SYWVYLUYTKRSJE-CABZTGNLSA-N 1 1 335.395 2.731 40 0 EFABMO COCC[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccc(C)o1 ZINC000253425628 474750289 /nfs/dbraw/zinc/75/02/89/474750289.db2.gz SJIPTEWWNJLLOH-JKSUJKDBSA-N 1 1 335.448 2.545 40 0 EFABMO Cc1ccc(F)c(CN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000253426467 474750759 /nfs/dbraw/zinc/75/07/59/474750759.db2.gz GYVNJOMYDIYUGC-SFHVURJKSA-N 1 1 334.435 2.736 40 0 EFABMO COCC[C@@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(C)o1 ZINC000253425621 474751454 /nfs/dbraw/zinc/75/14/54/474751454.db2.gz SJIPTEWWNJLLOH-HZPDHXFCSA-N 1 1 335.448 2.545 40 0 EFABMO COCC[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(C)o1 ZINC000253425612 474751964 /nfs/dbraw/zinc/75/19/64/474751964.db2.gz SJIPTEWWNJLLOH-CVEARBPZSA-N 1 1 335.448 2.545 40 0 EFABMO Cc1ccc2nc([C@@H]3CCCN(c4nccn5cnnc45)C3)[nH]c2c1 ZINC000253428441 474752234 /nfs/dbraw/zinc/75/22/34/474752234.db2.gz JXKQRHVRGJDVAR-CYBMUJFWSA-N 1 1 333.399 2.693 40 0 EFABMO Nc1cc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)ccn1 ZINC000253432471 474758499 /nfs/dbraw/zinc/75/84/99/474758499.db2.gz KNJYCDAIHUDZBK-LLVKDONJSA-N 1 1 325.338 2.785 40 0 EFABMO Nc1cc(C[N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 ZINC000253432471 474758505 /nfs/dbraw/zinc/75/85/05/474758505.db2.gz KNJYCDAIHUDZBK-LLVKDONJSA-N 1 1 325.338 2.785 40 0 EFABMO Nc1cc(C[N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)ccn1 ZINC000253432471 474758509 /nfs/dbraw/zinc/75/85/09/474758509.db2.gz KNJYCDAIHUDZBK-LLVKDONJSA-N 1 1 325.338 2.785 40 0 EFABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)on1 ZINC000253600307 474771438 /nfs/dbraw/zinc/77/14/38/474771438.db2.gz NFIQCQLVOZRRFG-OLZOCXBDSA-N 1 1 334.445 2.717 40 0 EFABMO O=C1c2cccn2[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2N1CC1CC1 ZINC000306127707 474807704 /nfs/dbraw/zinc/80/77/04/474807704.db2.gz GFGOEDLLSCGTQG-IAGOWNOFSA-N 1 1 327.453 2.841 40 0 EFABMO C[C@@H]1C[C@H]1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CC[N@H+]2CC1CC1 ZINC000306128515 474808096 /nfs/dbraw/zinc/80/80/96/474808096.db2.gz HCWSWOIDALXQKT-ATZDWAIDSA-N 1 1 346.515 2.772 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@@]3(CCC[C@@H]3C(=O)N3CC(F)(F)C3)C2)n1 ZINC000306137196 474810085 /nfs/dbraw/zinc/81/00/85/474810085.db2.gz QOLSYEQQKSEEJX-AEFFLSMTSA-N 1 1 349.425 2.860 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccccc4)C[C@@H]2C3)cn1 ZINC000306144458 474811363 /nfs/dbraw/zinc/81/13/63/474811363.db2.gz ZFYUASLYBDVJTO-FUHWJXTLSA-N 1 1 333.439 2.588 40 0 EFABMO Cc1nc(NC(=O)C[NH+]2CCC3(CC2)CC=CCOC3)sc1C ZINC000257205878 474924762 /nfs/dbraw/zinc/92/47/62/474924762.db2.gz BAYBIIXMHSZIAL-UHFFFAOYSA-N 1 1 335.473 2.757 40 0 EFABMO Cn1cncc1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257260125 474927686 /nfs/dbraw/zinc/92/76/86/474927686.db2.gz LBJWQRLXEAKAQK-INIZCTEOSA-N 1 1 335.415 2.686 40 0 EFABMO Cn1cncc1C[N@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257260125 474927693 /nfs/dbraw/zinc/92/76/93/474927693.db2.gz LBJWQRLXEAKAQK-INIZCTEOSA-N 1 1 335.415 2.686 40 0 EFABMO Cn1nccc1C[N@H+]1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257285499 474932407 /nfs/dbraw/zinc/93/24/07/474932407.db2.gz PHKTZJGREACKBO-HNNXBMFYSA-N 1 1 325.412 2.857 40 0 EFABMO CNc1cc([C@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)ccn1 ZINC000257286109 474932900 /nfs/dbraw/zinc/93/29/00/474932900.db2.gz PKHYXIFQHLXDQA-GOSISDBHSA-N 1 1 327.428 2.832 40 0 EFABMO Cc1ccncc1C[N@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257289045 474935140 /nfs/dbraw/zinc/93/51/40/474935140.db2.gz PWSWVBWVBLLPTE-MRXNPFEDSA-N 1 1 334.427 2.745 40 0 EFABMO c1c[nH]c(-c2cc(C[C@H]3CCC[N@@H+](Cc4cccnc4)C3)ncn2)n1 ZINC000257292074 474936014 /nfs/dbraw/zinc/93/60/14/474936014.db2.gz QJWMOYKQCSUPSS-OAHLLOKOSA-N 1 1 334.427 2.716 40 0 EFABMO Cn1cncc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000257294818 474936795 /nfs/dbraw/zinc/93/67/95/474936795.db2.gz QVWGTDIDOYKBGN-ZDUSSCGKSA-N 1 1 340.456 2.713 40 0 EFABMO CNC(=O)c1cnn2c1nccc2[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000257296748 474939076 /nfs/dbraw/zinc/93/90/76/474939076.db2.gz REFUIYDXRQLQNZ-QGZVFWFLSA-N 1 1 349.438 2.816 40 0 EFABMO Cc1cnn(C)c1C[NH+]1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257296449 474939221 /nfs/dbraw/zinc/93/92/21/474939221.db2.gz RCWUIBQBZPWKPL-KRWDZBQOSA-N 1 1 329.419 2.701 40 0 EFABMO CN(C)Cc1cnc(CC2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000257300256 474940488 /nfs/dbraw/zinc/94/04/88/474940488.db2.gz RTQMDESREKNWES-UHFFFAOYSA-N 1 1 330.398 2.745 40 0 EFABMO CNC(=O)c1sc2nc([C@H]3CCC[N@H+]3CC3CC3)ccc2c1N ZINC000257306064 474942408 /nfs/dbraw/zinc/94/24/08/474942408.db2.gz SSTOLYULGADIAH-CYBMUJFWSA-N 1 1 330.457 2.785 40 0 EFABMO CC[N@H+]1CCC[C@H](Cc2cc(Nc3nc(C)cc(C)n3)ncn2)C1 ZINC000257309126 474945070 /nfs/dbraw/zinc/94/50/70/474945070.db2.gz TZQYUPKAUXFYFB-OAHLLOKOSA-N 1 1 326.448 2.901 40 0 EFABMO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CC[N@H+](C)Cc1ccccn1 ZINC000257311273 474947802 /nfs/dbraw/zinc/94/78/02/474947802.db2.gz UITHUOBFJMLWII-KRWDZBQOSA-N 1 1 341.459 2.689 40 0 EFABMO C[C@]1(O)C[N@H+](Cc2ccc(F)cn2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257313157 474948319 /nfs/dbraw/zinc/94/83/19/474948319.db2.gz URFPCELEWCCBMT-ROUUACIJSA-N 1 1 334.366 2.764 40 0 EFABMO C[C@]1(O)C[N@@H+](Cc2ccc(F)cn2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257313157 474948327 /nfs/dbraw/zinc/94/83/27/474948327.db2.gz URFPCELEWCCBMT-ROUUACIJSA-N 1 1 334.366 2.764 40 0 EFABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[NH2+]2)nc1C ZINC000257315045 474949049 /nfs/dbraw/zinc/94/90/49/474949049.db2.gz UZRQPQXGKBRKPG-HNNXBMFYSA-N 1 1 326.400 2.861 40 0 EFABMO Cn1cc(CN2CC[N@@H+](C)C[C@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316622 474949616 /nfs/dbraw/zinc/94/96/16/474949616.db2.gz VGJCDWDPXRSQDO-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@@H+]2CCN(C)C[C@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316622 474949624 /nfs/dbraw/zinc/94/96/24/474949624.db2.gz VGJCDWDPXRSQDO-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@H+]2CCN(C)C[C@H](Cc3cccc4ncccc34)C2)cn1 ZINC000257316622 474949635 /nfs/dbraw/zinc/94/96/35/474949635.db2.gz VGJCDWDPXRSQDO-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO NC(=O)[C@]1(CCCc2ccccn2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000257319675 474951888 /nfs/dbraw/zinc/95/18/88/474951888.db2.gz VTOMSEIJDYLAJE-HXUWFJFHSA-N 1 1 338.455 2.567 40 0 EFABMO Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2C(=O)Cc2ccsc2)n1 ZINC000257323220 474952678 /nfs/dbraw/zinc/95/26/78/474952678.db2.gz WJFFRXYCNSHIGI-MRXNPFEDSA-N 1 1 344.484 2.814 40 0 EFABMO Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2C(=O)Cc2ccsc2)n1 ZINC000257323219 474953925 /nfs/dbraw/zinc/95/39/25/474953925.db2.gz WJFFRXYCNSHIGI-INIZCTEOSA-N 1 1 344.484 2.814 40 0 EFABMO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3ccsc3)CCN2C)c1 ZINC000257327520 474956969 /nfs/dbraw/zinc/95/69/69/474956969.db2.gz XBRBSZNSKAAYHN-QGZVFWFLSA-N 1 1 329.469 2.596 40 0 EFABMO COc1ccc([C@H]2C[N@@H+](CC3(O)CCCCC3)CCN2C(C)=O)cc1 ZINC000257332711 474959407 /nfs/dbraw/zinc/95/94/07/474959407.db2.gz XYIVQRDUCCBWTN-LJQANCHMSA-N 1 1 346.471 2.596 40 0 EFABMO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)c(C)n1 ZINC000257336503 474961418 /nfs/dbraw/zinc/96/14/18/474961418.db2.gz YOTFYIAHEIRNSB-MRXNPFEDSA-N 1 1 340.431 2.687 40 0 EFABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)n3cc[nH]c3n2)c(C)n1 ZINC000257336503 474961427 /nfs/dbraw/zinc/96/14/27/474961427.db2.gz YOTFYIAHEIRNSB-MRXNPFEDSA-N 1 1 340.431 2.687 40 0 EFABMO C[C@]12CCCN(C(=O)c3cc(-c4ccccc4F)[nH]n3)[C@@H]1CCC[NH2+]2 ZINC000257340269 474963019 /nfs/dbraw/zinc/96/30/19/474963019.db2.gz ZFHDMSCNDXCULF-MJGOQNOKSA-N 1 1 342.418 2.963 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000331810987 475422854 /nfs/dbraw/zinc/42/28/54/475422854.db2.gz SQGUUIQTRPQABO-INIZCTEOSA-N 1 1 334.441 2.531 40 0 EFABMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000331810987 475422860 /nfs/dbraw/zinc/42/28/60/475422860.db2.gz SQGUUIQTRPQABO-INIZCTEOSA-N 1 1 334.441 2.531 40 0 EFABMO C[C@H]1C[C@@H](c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)CC[N@H+]1C ZINC000333737653 476016093 /nfs/dbraw/zinc/01/60/93/476016093.db2.gz XCUIKFSOCYDIIR-KKUMJFAQSA-N 1 1 340.427 2.788 40 0 EFABMO COCc1cc(CNCC(C)(C)[N@H+]2CCc3ccccc3C2)no1 ZINC000298260460 476037118 /nfs/dbraw/zinc/03/71/18/476037118.db2.gz FNELSIPTDCIJSJ-UHFFFAOYSA-N 1 1 329.444 2.748 40 0 EFABMO COCc1cc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)no1 ZINC000298260460 476037127 /nfs/dbraw/zinc/03/71/27/476037127.db2.gz FNELSIPTDCIJSJ-UHFFFAOYSA-N 1 1 329.444 2.748 40 0 EFABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](C)C[C@H]21 ZINC000514289660 479020028 /nfs/dbraw/zinc/02/00/28/479020028.db2.gz NDIDCNDXKAGHEK-AEFFLSMTSA-N 1 1 344.361 2.779 40 0 biogenic,in-vitro EFABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](C)C[C@H]21 ZINC000514289660 479020035 /nfs/dbraw/zinc/02/00/35/479020035.db2.gz NDIDCNDXKAGHEK-AEFFLSMTSA-N 1 1 344.361 2.779 40 0 biogenic,in-vitro EFABMO CN(C)C(=O)COCC[C@H]1Cn2cccc2C[N@@H+](CC2CCCC2)C1 ZINC000585095513 479280417 /nfs/dbraw/zinc/28/04/17/479280417.db2.gz UXQOHPXMWXHQQJ-GOSISDBHSA-N 1 1 347.503 2.605 40 0 EFABMO COCC[N@H+]1CCC[C@]2(CCC(=O)N2Cc2ccc(F)cc2)CC1 ZINC000585100838 479282343 /nfs/dbraw/zinc/28/23/43/479282343.db2.gz YNAAEQAYVRWFDP-IBGZPJMESA-N 1 1 334.435 2.819 40 0 EFABMO c1cncc(CO[C@@H]2CSC3(C[NH+](Cc4ccncc4)C3)C2)c1 ZINC000585105441 479286383 /nfs/dbraw/zinc/28/63/83/479286383.db2.gz WODBPDAFVDIRKM-KRWDZBQOSA-N 1 1 327.453 2.753 40 0 EFABMO Cc1ccc(-c2n[nH]c3c2CCN(C(=O)C[N@H+](C)C(C)C)CC3)cc1 ZINC000585110418 479287796 /nfs/dbraw/zinc/28/77/96/479287796.db2.gz SDPHOVBCUDDGCE-UHFFFAOYSA-N 1 1 340.471 2.653 40 0 EFABMO Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC000585110381 479287848 /nfs/dbraw/zinc/28/78/48/479287848.db2.gz NDJFCWDJPVJBIV-UHFFFAOYSA-N 1 1 340.471 2.653 40 0 EFABMO Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)c4ccccc4C)C[C@H]3C2)cs1 ZINC000585107606 479287892 /nfs/dbraw/zinc/28/78/92/479287892.db2.gz QUQORQJXSIRDMY-HZPDHXFCSA-N 1 1 341.480 2.964 40 0 EFABMO CC(C)C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 ZINC000585109748 479287917 /nfs/dbraw/zinc/28/79/17/479287917.db2.gz OMQBCAOOKZLWJY-JENIJYKNSA-N 1 1 338.455 2.576 40 0 EFABMO COCC[N@H+]1CCCC[C@@H]1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000585113230 479289499 /nfs/dbraw/zinc/28/94/99/479289499.db2.gz NSHZIWOUJNXATO-HXUWFJFHSA-N 1 1 344.499 2.969 40 0 EFABMO O[C@]1(COc2ccc(F)cc2)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000585269509 479303071 /nfs/dbraw/zinc/30/30/71/479303071.db2.gz XOSLLNOENFPLAO-QGZVFWFLSA-N 1 1 336.794 2.890 40 0 EFABMO O[C@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000585269509 479303079 /nfs/dbraw/zinc/30/30/79/479303079.db2.gz XOSLLNOENFPLAO-QGZVFWFLSA-N 1 1 336.794 2.890 40 0 EFABMO Cn1cncc1C[N@H+]1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 ZINC000585262368 479303287 /nfs/dbraw/zinc/30/32/87/479303287.db2.gz FDNYNTUVJPQSDS-LSTHTHJFSA-N 1 1 341.455 2.869 40 0 EFABMO C[N@H+]1CCN(Cc2cc[nH]n2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261129 479303586 /nfs/dbraw/zinc/30/35/86/479303586.db2.gz GCQSMJIFNTYVJT-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccsc2)[C@H]1O ZINC000585260812 479304167 /nfs/dbraw/zinc/30/41/67/479304167.db2.gz JBVXBBGMPCBKBD-BZUAXINKSA-N 1 1 333.457 2.870 40 0 EFABMO CO[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@H]1Cc1ccccc1F ZINC000585277517 479305833 /nfs/dbraw/zinc/30/58/33/479305833.db2.gz WBBARGRCRJWQLB-VQIMIIECSA-N 1 1 348.462 2.764 40 0 EFABMO CO[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@H]1Cc1ccccc1F ZINC000585277517 479305839 /nfs/dbraw/zinc/30/58/39/479305839.db2.gz WBBARGRCRJWQLB-VQIMIIECSA-N 1 1 348.462 2.764 40 0 EFABMO CO[C@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585275905 479306133 /nfs/dbraw/zinc/30/61/33/479306133.db2.gz GNIFHJCDTIXCIC-GOSISDBHSA-N 1 1 333.407 2.836 40 0 EFABMO CCc1ncc(C[N@H+]2CC[C@@H](O)[C@H](Cc3ccc(F)cc3)C2)cn1 ZINC000585277837 479306745 /nfs/dbraw/zinc/30/67/45/479306745.db2.gz PXWOJMNPLYHIRY-SJLPKXTDSA-N 1 1 329.419 2.604 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)[nH]1 ZINC000585278342 479307200 /nfs/dbraw/zinc/30/72/00/479307200.db2.gz CFPUIRYVJLFYQN-QAPCUYQASA-N 1 1 331.435 2.845 40 0 EFABMO CCc1ncc(C[N@H+]2CC[C@H](Cc3cccc(C)c3)[C@@H](O)C2)cn1 ZINC000585278296 479307563 /nfs/dbraw/zinc/30/75/63/479307563.db2.gz BOXSGFNSWOASHN-MOPGFXCFSA-N 1 1 325.456 2.773 40 0 EFABMO Cc1cc(OC[C@@]2(O)COCC[N@H+](C3CCCCC3)C2)ccc1F ZINC000585284588 479308157 /nfs/dbraw/zinc/30/81/57/479308157.db2.gz YQLISZCCWSOUJT-IBGZPJMESA-N 1 1 337.435 2.909 40 0 EFABMO CNC(=O)[C@@]1(C)CCC[N@@H+](C[C@@]2(O)CC[C@H](c3ccccc3)CC2)C1 ZINC000585285365 479309576 /nfs/dbraw/zinc/30/95/76/479309576.db2.gz XYBGETDCYJOAOD-SESVDKBCSA-N 1 1 344.499 2.923 40 0 EFABMO O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCN1CCCCC1 ZINC000585289676 479310748 /nfs/dbraw/zinc/31/07/48/479310748.db2.gz UVNGAUKEIDDKMK-XUVXKRRUSA-N 1 1 332.488 2.813 40 0 EFABMO COc1ccccc1C[N@H+]1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585292995 479310890 /nfs/dbraw/zinc/31/08/90/479310890.db2.gz QUNBPVFGBRAJPZ-ZHALLVOQSA-N 1 1 347.842 2.670 40 0 EFABMO COC1CC[NH+](C2CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000575605812 479450825 /nfs/dbraw/zinc/45/08/25/479450825.db2.gz NDFUAUGOVZBZND-UHFFFAOYSA-N 1 1 342.361 2.641 40 0 EFABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(F)cc1 ZINC000261960013 524762939 /nfs/dbraw/zinc/76/29/39/524762939.db2.gz MITFXLMTGXIZFX-KRWDZBQOSA-N 1 1 328.387 2.550 40 0 EFABMO NC(=O)c1cccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1 ZINC000078358192 527081628 /nfs/dbraw/zinc/08/16/28/527081628.db2.gz QAYOMLQPBRXKJE-UHFFFAOYSA-N 1 1 327.403 2.815 40 0 EFABMO CCCc1nnsc1C(=O)N[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257246539 535551427 /nfs/dbraw/zinc/55/14/27/535551427.db2.gz IUPGMSSZYWNTFN-CYBMUJFWSA-N 1 1 345.472 2.593 40 0 EFABMO CCn1cc(C[N@@H+]2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)c(C)n1 ZINC000257240426 536053525 /nfs/dbraw/zinc/05/35/25/536053525.db2.gz HTLMENRBOSWFSU-INIZCTEOSA-N 1 1 340.431 2.687 40 0 EFABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2cc(=O)n3nccc3[nH]2)c(C)n1 ZINC000257240426 536053528 /nfs/dbraw/zinc/05/35/28/536053528.db2.gz HTLMENRBOSWFSU-INIZCTEOSA-N 1 1 340.431 2.687 40 0 EFABMO C[N@H+]1CCC[C@H](c2cncc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257244085 536387882 /nfs/dbraw/zinc/38/78/82/536387882.db2.gz IJUGXMYRIJHOAZ-AWEZNQCLSA-N 1 1 330.432 2.945 40 0 EFABMO CNc1cnc(C[C@@H]2CCC[N@@H+](Cc3ncccc3F)CC2)cn1 ZINC000257232217 536421847 /nfs/dbraw/zinc/42/18/47/536421847.db2.gz GJWGELBIHBCDCF-CQSZACIVSA-N 1 1 329.423 2.897 40 0 EFABMO O=C1CC[C@H]2C[N@@H+](Cc3cnc4ccccc4n3)CC[C@@H]2N1C1CC1 ZINC000585094322 546371268 /nfs/dbraw/zinc/37/12/68/546371268.db2.gz JIPFRGBLAHOYJW-LIRRHRJNSA-N 1 1 336.439 2.605 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[N@@H+](C)[C@H]3c4cc(F)ccc4OC[C@H]32)CC1 ZINC001772595823 1249166847 /nfs/dbraw/zinc/16/68/47/1249166847.db2.gz MTHWFPYZRKFGGB-RYRKJORJSA-N 1 1 332.419 2.696 40 0 EFABMO C[NH+]1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 ZINC000067284776 1101511479 /nfs/dbraw/zinc/51/14/79/1101511479.db2.gz FLJFYHVIYCKVOY-UHFFFAOYSA-N 1 1 327.819 2.802 40 0 EFABMO Cc1nn(C)c(Cl)c1/C=C/C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053348970 214178144 /nfs/dbraw/zinc/17/81/44/214178144.db2.gz UCXCWCMKSRJVAL-MDZDMXLPSA-N 1 1 346.862 2.643 40 0 EFABMO Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3CCOCc3ccccc3)O2)n1 ZINC000097953572 219064607 /nfs/dbraw/zinc/06/46/07/219064607.db2.gz XZLMQBMXMPUCHC-KURKYZTESA-N 1 1 343.427 2.889 40 0 EFABMO C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2Br)C1 ZINC000004276581 210159674 /nfs/dbraw/zinc/15/96/74/210159674.db2.gz HRWPKBAYEVQBLV-STQMWFEESA-N 1 1 328.250 2.921 40 0 EFABMO COc1ccc(C[NH2+][C@H](CN2CCN(C)CC2)c2ccccc2)cc1 ZINC000069171318 215367363 /nfs/dbraw/zinc/36/73/63/215367363.db2.gz FEKOQCMLUZZJEJ-OAQYLSRUSA-N 1 1 339.483 2.774 40 0 EFABMO Cc1ccc(Br)c(NC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000181640318 234264995 /nfs/dbraw/zinc/26/49/95/234264995.db2.gz DSMPJBQPXAJCKF-UHFFFAOYSA-N 1 1 326.238 2.927 40 0 EFABMO CCN1CC[NH+](Cc2ccc(CNC(=O)C3CCCC3)cc2)CC1 ZINC000040115257 213267933 /nfs/dbraw/zinc/26/79/33/213267933.db2.gz RFVQYTHXKKDHTK-UHFFFAOYSA-N 1 1 329.488 2.631 40 0 EFABMO CCC(CC)[C@@H](CNC(=O)c1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC000040049510 213254505 /nfs/dbraw/zinc/25/45/05/213254505.db2.gz RNHLIEVQYGQPEA-QGZVFWFLSA-N 1 1 340.414 2.832 40 0 EFABMO CCC(CC)[C@H](CNC(=O)c1cc(F)cc(F)c1)[NH+]1CCOCC1 ZINC000040049511 213254676 /nfs/dbraw/zinc/25/46/76/213254676.db2.gz RNHLIEVQYGQPEA-KRWDZBQOSA-N 1 1 340.414 2.832 40 0 EFABMO C[N@@H+]1CC[C@@H](NC(=O)C2(O)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000245601017 283046021 /nfs/dbraw/zinc/04/60/21/283046021.db2.gz VKRHWYHFCNXOQK-HZPDHXFCSA-N 1 1 336.863 2.897 40 0 EFABMO C[N@H+]1CC[C@@H](NC(=O)C2(O)CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000245601017 283046025 /nfs/dbraw/zinc/04/60/25/283046025.db2.gz VKRHWYHFCNXOQK-HZPDHXFCSA-N 1 1 336.863 2.897 40 0 EFABMO COCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832987 213226706 /nfs/dbraw/zinc/22/67/06/213226706.db2.gz WAIVGNCWLPAQFJ-ZDUSSCGKSA-N 1 1 345.270 2.968 40 0 EFABMO COCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832987 213226711 /nfs/dbraw/zinc/22/67/11/213226711.db2.gz WAIVGNCWLPAQFJ-ZDUSSCGKSA-N 1 1 345.270 2.968 40 0 EFABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)CCC2CCCC2)C1 ZINC000072374024 283182776 /nfs/dbraw/zinc/18/27/76/283182776.db2.gz BPNWSYIUOBTNHI-INIZCTEOSA-N 1 1 345.491 2.748 40 0 EFABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)C[C@@H]1CCOC1 ZINC000036740325 213115245 /nfs/dbraw/zinc/11/52/45/213115245.db2.gz QNRSXRZQERTLCZ-KRWDZBQOSA-N 1 1 329.444 2.821 40 0 EFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nc4cc(F)ccc4o3)C2)CC1 ZINC000035446924 213029501 /nfs/dbraw/zinc/02/95/01/213029501.db2.gz HYZNETPEKRVLDZ-ZDUSSCGKSA-N 1 1 331.391 2.767 40 0 biogenic,in-vitro EFABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC3CC3)n2)cn1 ZINC000035425466 213027445 /nfs/dbraw/zinc/02/74/45/213027445.db2.gz IIMHNNYLXKDUKM-HNNXBMFYSA-N 1 1 344.415 2.704 40 0 biogenic,in-vitro EFABMO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000035424927 213027335 /nfs/dbraw/zinc/02/73/35/213027335.db2.gz DIPRVIQDEKLQGM-AWEZNQCLSA-N 1 1 331.420 2.735 40 0 biogenic,in-vitro EFABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3CC3CC3)n2)ccn1 ZINC000035424836 213026796 /nfs/dbraw/zinc/02/67/96/213026796.db2.gz GSZMBEDOXALDNW-HNNXBMFYSA-N 1 1 344.415 2.704 40 0 biogenic,in-vitro EFABMO C[C@@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000035388656 213023989 /nfs/dbraw/zinc/02/39/89/213023989.db2.gz MZYWZPIRYJOWGQ-GDBMZVCRSA-N 1 1 340.464 2.711 40 0 EFABMO c1cnn(C[C@@H]2C[C@@H]3C[N@@H+](CC4CC4)CC[C@@H]3N2c2nccs2)c1 ZINC000107203699 219753288 /nfs/dbraw/zinc/75/32/88/219753288.db2.gz IEQSDFAELFINND-IKGGRYGDSA-N 1 1 343.500 2.719 40 0 EFABMO C[NH+](C)Cc1cc(CC2(NCc3cc4ccccc4o3)COC2)no1 ZINC000072321911 216150113 /nfs/dbraw/zinc/15/01/13/216150113.db2.gz ZNPZJPSJXZWEFF-UHFFFAOYSA-N 1 1 341.411 2.584 40 0 biogenic,in-vitro EFABMO COCCn1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c2ccccc21 ZINC000072324581 216151205 /nfs/dbraw/zinc/15/12/05/216151205.db2.gz YZIWFRDXIBIWBJ-FUHWJXTLSA-N 1 1 327.472 2.956 40 0 EFABMO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358870 216165609 /nfs/dbraw/zinc/16/56/09/216165609.db2.gz PGPASMMRWZTATF-CQSZACIVSA-N 1 1 342.418 2.550 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358870 216165611 /nfs/dbraw/zinc/16/56/11/216165611.db2.gz PGPASMMRWZTATF-CQSZACIVSA-N 1 1 342.418 2.550 40 0 EFABMO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358869 216165960 /nfs/dbraw/zinc/16/59/60/216165960.db2.gz PGPASMMRWZTATF-AWEZNQCLSA-N 1 1 342.418 2.550 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358869 216165962 /nfs/dbraw/zinc/16/59/62/216165962.db2.gz PGPASMMRWZTATF-AWEZNQCLSA-N 1 1 342.418 2.550 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(OC)c2)C1 ZINC000072358502 216166407 /nfs/dbraw/zinc/16/64/07/216166407.db2.gz BAWOPUSIHODOTI-MRXNPFEDSA-N 1 1 327.428 2.978 40 0 EFABMO COC[C@H]1CN(C(=O)C2CCCC2)CC[N@@H+](CCc2ccccc2)C1 ZINC000072354426 216161930 /nfs/dbraw/zinc/16/19/30/216161930.db2.gz TUIOGVRFHWPKRB-LJQANCHMSA-N 1 1 344.499 2.826 40 0 EFABMO Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000072350523 216162290 /nfs/dbraw/zinc/16/22/90/216162290.db2.gz WMUZQITUZXCQJA-QGZVFWFLSA-N 1 1 347.422 2.991 40 0 EFABMO Cc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000072350524 216162854 /nfs/dbraw/zinc/16/28/54/216162854.db2.gz WMUZQITUZXCQJA-KRWDZBQOSA-N 1 1 347.422 2.991 40 0 EFABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000072355711 216163372 /nfs/dbraw/zinc/16/33/72/216163372.db2.gz GQZTULDQMAJWAQ-QGZVFWFLSA-N 1 1 336.443 2.900 40 0 EFABMO CCc1nccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000072355711 216163374 /nfs/dbraw/zinc/16/33/74/216163374.db2.gz GQZTULDQMAJWAQ-QGZVFWFLSA-N 1 1 336.443 2.900 40 0 EFABMO CNc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072366768 216172076 /nfs/dbraw/zinc/17/20/76/216172076.db2.gz GTRNURNYRWKFLD-KRWDZBQOSA-N 1 1 349.442 2.745 40 0 EFABMO CNc1ncc(C[N@H+]2CCC[C@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072366768 216172078 /nfs/dbraw/zinc/17/20/78/216172078.db2.gz GTRNURNYRWKFLD-KRWDZBQOSA-N 1 1 349.442 2.745 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2ccnc(Nc3ccc(C)cn3)n2)C1 ZINC000072377553 216178951 /nfs/dbraw/zinc/17/89/51/216178951.db2.gz SRAKQMQWHUNAMJ-OAHLLOKOSA-N 1 1 327.432 2.749 40 0 EFABMO Cc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000072378881 216180288 /nfs/dbraw/zinc/18/02/88/216180288.db2.gz GHCXSGWLDHFBRB-UHFFFAOYSA-N 1 1 347.422 2.991 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C2CCCC2)n1 ZINC000072378512 216181583 /nfs/dbraw/zinc/18/15/83/216181583.db2.gz LJEWQDSMSDETCX-MRXNPFEDSA-N 1 1 325.416 2.824 40 0 EFABMO COCC[N@@H+]1CCC[C@H]1c1nc(C)cc(Nc2nc(C)cc(C)n2)n1 ZINC000072382444 216182972 /nfs/dbraw/zinc/18/29/72/216182972.db2.gz DSQSJBAWOFMZFB-HNNXBMFYSA-N 1 1 342.447 2.719 40 0 EFABMO COCC[N@H+]1CCC[C@H]1c1nc(C)cc(Nc2nc(C)cc(C)n2)n1 ZINC000072382444 216182975 /nfs/dbraw/zinc/18/29/75/216182975.db2.gz DSQSJBAWOFMZFB-HNNXBMFYSA-N 1 1 342.447 2.719 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392935 216190944 /nfs/dbraw/zinc/19/09/44/216190944.db2.gz MNUZZJFPOVMYNQ-MRXNPFEDSA-N 1 1 347.422 2.607 40 0 EFABMO O=c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392918 216191671 /nfs/dbraw/zinc/19/16/71/216191671.db2.gz NPXUZFUBBKBAIC-KRWDZBQOSA-N 1 1 347.422 2.607 40 0 EFABMO C[C@@H]1CN(Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000072394710 216192074 /nfs/dbraw/zinc/19/20/74/216192074.db2.gz RLUNQUGUQYERAZ-RBSFLKMASA-N 1 1 328.460 2.639 40 0 EFABMO CCn1cc(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)cn1 ZINC000073303316 216375742 /nfs/dbraw/zinc/37/57/42/216375742.db2.gz SZZKLHOZCYCUMQ-HNNXBMFYSA-N 1 1 342.443 2.876 40 0 EFABMO COC(=O)c1sc2ccccc2c1CNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000073362130 216381139 /nfs/dbraw/zinc/38/11/39/216381139.db2.gz JSGBDQPHGDGVKV-LBPRGKRZSA-N 1 1 346.452 2.646 40 0 EFABMO O=C(Cc1ccc(-c2ccccc2)cc1)NCCC[NH+]1CCOCC1 ZINC000023674178 212389590 /nfs/dbraw/zinc/38/95/90/212389590.db2.gz CYRBFDMFZIOARB-UHFFFAOYSA-N 1 1 338.451 2.735 40 0 EFABMO OCCNCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000023263511 212365023 /nfs/dbraw/zinc/36/50/23/212365023.db2.gz LVSIMYLDCCUFCY-UHFFFAOYSA-N 1 1 334.847 2.591 40 0 EFABMO COc1ccc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000023235089 212362310 /nfs/dbraw/zinc/36/23/10/212362310.db2.gz UEIJMMSAZVGPDP-ZIAGYGMSSA-N 1 1 335.448 2.705 40 0 EFABMO Cc1cn2nc(N3CC[NH+](Cc4ccccc4C)CC3)sc2n1 ZINC000022977132 212339783 /nfs/dbraw/zinc/33/97/83/212339783.db2.gz DSQGSEZROUXBCI-UHFFFAOYSA-N 1 1 327.457 2.730 40 0 EFABMO CCc1oncc1C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000225800562 240231857 /nfs/dbraw/zinc/23/18/57/240231857.db2.gz XIPSYKWZJBROEM-UHFFFAOYSA-N 1 1 342.443 2.627 40 0 EFABMO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)n1 ZINC000245312455 240252972 /nfs/dbraw/zinc/25/29/72/240252972.db2.gz JIPDLDSRKJOMDY-VQHPVUNQSA-N 1 1 348.491 2.719 40 0 EFABMO O=C(CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000022357151 212293256 /nfs/dbraw/zinc/29/32/56/212293256.db2.gz PWSVYWGKLYYMAG-UHFFFAOYSA-N 1 1 341.430 2.972 40 0 EFABMO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000248015878 240286545 /nfs/dbraw/zinc/28/65/45/240286545.db2.gz HNNRSNUMTSPTBE-AWEZNQCLSA-N 1 1 333.482 2.985 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@]12CCCO2 ZINC000257339181 240314229 /nfs/dbraw/zinc/31/42/29/240314229.db2.gz ZAOCUQCHLZFVPC-ICSRJNTNSA-N 1 1 339.439 2.914 40 0 EFABMO CCn1nccc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000195562162 241011927 /nfs/dbraw/zinc/01/19/27/241011927.db2.gz FCAAIRZFWYLOPY-NUEKZKHPSA-N 1 1 334.464 2.638 40 0 EFABMO C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2OC(F)(F)F)C1 ZINC000022057248 212273786 /nfs/dbraw/zinc/27/37/86/212273786.db2.gz QXIKMOVFJXJCIG-LBPRGKRZSA-N 1 1 330.350 2.933 40 0 EFABMO CCOC[C@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218508787 241328216 /nfs/dbraw/zinc/32/82/16/241328216.db2.gz BHXZWXOURZWQRN-FHWLQOOXSA-N 1 1 345.464 2.669 40 0 EFABMO CCOC[C@@]1([NH3+])[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218508714 241328396 /nfs/dbraw/zinc/32/83/96/241328396.db2.gz BHXZWXOURZWQRN-GBESFXJTSA-N 1 1 345.464 2.669 40 0 EFABMO COCC1(CNC(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CCC1 ZINC000225698491 241991258 /nfs/dbraw/zinc/99/12/58/241991258.db2.gz RXNYGDADHSPJTK-UHFFFAOYSA-N 1 1 346.475 2.606 40 0 EFABMO C[N@H+]1C[C@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H](c2ccccc2)C1 ZINC000226751493 242112407 /nfs/dbraw/zinc/11/24/07/242112407.db2.gz XRIYYAKHQNIHSG-KGLIPLIRSA-N 1 1 328.441 2.699 40 0 EFABMO Cc1cccc2oc(CC[NH2+][C@H](C(N)=O)c3ccc(F)cc3)nc21 ZINC000242339264 243018949 /nfs/dbraw/zinc/01/89/49/243018949.db2.gz ZGJNGYAUIHNWTL-KRWDZBQOSA-N 1 1 327.359 2.634 40 0 EFABMO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000245339053 243102726 /nfs/dbraw/zinc/10/27/26/243102726.db2.gz QFJNPEUQNWGCFV-GDBMZVCRSA-N 1 1 329.437 2.622 40 0 EFABMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000245339053 243102731 /nfs/dbraw/zinc/10/27/31/243102731.db2.gz QFJNPEUQNWGCFV-GDBMZVCRSA-N 1 1 329.437 2.622 40 0 EFABMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCOC3)cc2)C1 ZINC000245343959 243103991 /nfs/dbraw/zinc/10/39/91/243103991.db2.gz WQABZQZPXXKHAJ-CVEARBPZSA-N 1 1 332.444 2.772 40 0 EFABMO CC[C@](O)(CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000020494189 212140797 /nfs/dbraw/zinc/14/07/97/212140797.db2.gz OSPKPXIIILKVRA-HNNXBMFYSA-N 1 1 328.250 2.769 40 0 EFABMO c1cc2n(c1)[C@@H](CCOc1ccccn1)C[N@H+](C1CCOCC1)C2 ZINC000253588727 244025156 /nfs/dbraw/zinc/02/51/56/244025156.db2.gz PTDBQHFDZVJFSR-SFHVURJKSA-N 1 1 327.428 2.888 40 0 EFABMO c1cc2n(c1)[C@@H](COCc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000253596593 244030627 /nfs/dbraw/zinc/03/06/27/244030627.db2.gz TTWRIDXECLUHSO-HXUWFJFHSA-N 1 1 341.455 2.883 40 0 EFABMO CO[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C)CC[C@@]12CCCO2 ZINC000257199636 244115886 /nfs/dbraw/zinc/11/58/86/244115886.db2.gz AAFFKFMFWXOFOT-LPHOPBHVSA-N 1 1 332.444 2.512 40 0 EFABMO CO[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C)CC[C@@]12CCCO2 ZINC000257199636 244115904 /nfs/dbraw/zinc/11/59/04/244115904.db2.gz AAFFKFMFWXOFOT-LPHOPBHVSA-N 1 1 332.444 2.512 40 0 EFABMO COCC[N@H+]1CC[C@@H]2[C@@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000257200479 244118798 /nfs/dbraw/zinc/11/87/98/244118798.db2.gz ADNAGPVRGMHQLL-RBUKOAKNSA-N 1 1 330.472 2.987 40 0 EFABMO Cc1cccc(C[N@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)n1 ZINC000257202885 244125097 /nfs/dbraw/zinc/12/50/97/244125097.db2.gz ANUQNBGOSJGFGJ-QGZVFWFLSA-N 1 1 336.439 2.729 40 0 EFABMO CCc1[nH+]ccn1CCC(=O)N1CCC(Cc2ccncc2)CC1 ZINC000257204658 244129219 /nfs/dbraw/zinc/12/92/19/244129219.db2.gz AVUHAAUFXGPALP-UHFFFAOYSA-N 1 1 326.444 2.712 40 0 EFABMO CC(C)c1noc(CCC(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257209771 244146754 /nfs/dbraw/zinc/14/67/54/244146754.db2.gz BRVCFAKGTALXAL-MRXNPFEDSA-N 1 1 342.443 2.641 40 0 EFABMO CC(C)c1noc(CCC(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000257209771 244146757 /nfs/dbraw/zinc/14/67/57/244146757.db2.gz BRVCFAKGTALXAL-MRXNPFEDSA-N 1 1 342.443 2.641 40 0 EFABMO Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000257210300 244147668 /nfs/dbraw/zinc/14/76/68/244147668.db2.gz BUADPFUOMUZLIS-QGZVFWFLSA-N 1 1 326.444 2.800 40 0 EFABMO OCCOc1cccc(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)c1 ZINC000257210872 244150131 /nfs/dbraw/zinc/15/01/31/244150131.db2.gz BWMQKOICGGFOJX-SFHVURJKSA-N 1 1 326.440 2.907 40 0 EFABMO Cn1cncc1CN1CC[N@@H+](C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257226429 244201534 /nfs/dbraw/zinc/20/15/34/244201534.db2.gz FKORNUUWSSZDND-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1cncc(CN2CCO[C@H](CCc3cc[nH+]c(N(C)C)c3)C2)c1 ZINC000257229791 244209765 /nfs/dbraw/zinc/20/97/65/244209765.db2.gz FZMGPSSYUFIQJC-LJQANCHMSA-N 1 1 340.471 2.685 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257219830 244180297 /nfs/dbraw/zinc/18/02/97/244180297.db2.gz DIINUAMZRIUUTF-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO CNC(=O)c1cc(C[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)ncn1 ZINC000257233062 244219259 /nfs/dbraw/zinc/21/92/59/244219259.db2.gz GNOUCPWVGXSCLH-INIZCTEOSA-N 1 1 338.455 2.681 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CCCC[C@@H](N(C)C(=O)Cc2cccs2)[C@H]1O ZINC000257233719 244221977 /nfs/dbraw/zinc/22/19/77/244221977.db2.gz GQKLSVNAGSNEPJ-JFIYKMOQSA-N 1 1 347.484 2.799 40 0 EFABMO Cn1nccc1C[N@H+]1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 ZINC000257235847 244229625 /nfs/dbraw/zinc/22/96/25/244229625.db2.gz GZUCLQXMBVFLBN-LSTHTHJFSA-N 1 1 341.455 2.869 40 0 EFABMO Cc1nn(C)c2nc([C@]3(C)CCC[N@@H+](Cc4cnccn4)C3)ccc12 ZINC000257248144 244263833 /nfs/dbraw/zinc/26/38/33/244263833.db2.gz JCHOBYYAXISMRH-LJQANCHMSA-N 1 1 336.443 2.620 40 0 EFABMO Cc1cccnc1C(=O)N1CCC[C@H]1c1nc(C)ncc1C[NH+](C)C ZINC000257249834 244265507 /nfs/dbraw/zinc/26/55/07/244265507.db2.gz JJYLXKHKTRHDPZ-INIZCTEOSA-N 1 1 339.443 2.527 40 0 EFABMO Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)co1 ZINC000257258530 244289796 /nfs/dbraw/zinc/28/97/96/244289796.db2.gz KUJWYPFIMIFFKA-PKOBYXMFSA-N 1 1 325.412 2.621 40 0 EFABMO Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)co1 ZINC000257258530 244289800 /nfs/dbraw/zinc/28/98/00/244289800.db2.gz KUJWYPFIMIFFKA-PKOBYXMFSA-N 1 1 325.412 2.621 40 0 EFABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257259507 244292547 /nfs/dbraw/zinc/29/25/47/244292547.db2.gz KYRGELJXSMRHNK-IBGZPJMESA-N 1 1 349.438 2.931 40 0 EFABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000257259507 244292553 /nfs/dbraw/zinc/29/25/53/244292553.db2.gz KYRGELJXSMRHNK-IBGZPJMESA-N 1 1 349.438 2.931 40 0 EFABMO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000257267088 244363795 /nfs/dbraw/zinc/36/37/95/244363795.db2.gz MFXUEMQWKIQILO-HXUWFJFHSA-N 1 1 339.439 2.934 40 0 EFABMO Cc1ncsc1CN1CCO[C@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257268260 244367246 /nfs/dbraw/zinc/36/72/46/244367246.db2.gz MKXPXIRCJUFXLO-MRXNPFEDSA-N 1 1 346.500 2.746 40 0 EFABMO CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2c2ccnc(N)n2)cc1 ZINC000257269435 244371400 /nfs/dbraw/zinc/37/14/00/244371400.db2.gz MPXQLJITHYGTPQ-KRWDZBQOSA-N 1 1 325.416 2.744 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)c(OC)c1 ZINC000257261097 244346588 /nfs/dbraw/zinc/34/65/88/244346588.db2.gz LFRWHAPYEUVUDK-WMLDXEAASA-N 1 1 332.444 2.537 40 0 EFABMO CC(C)n1nccc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257260773 244347468 /nfs/dbraw/zinc/34/74/68/244347468.db2.gz LEHFHJDVBPRJAX-MRXNPFEDSA-N 1 1 340.431 2.940 40 0 EFABMO CC(C)n1nccc1C[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257260773 244347473 /nfs/dbraw/zinc/34/74/73/244347473.db2.gz LEHFHJDVBPRJAX-MRXNPFEDSA-N 1 1 340.431 2.940 40 0 EFABMO Cc1cnccc1C[N@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257271360 244378995 /nfs/dbraw/zinc/37/89/95/244378995.db2.gz MXZIJWZYUQNNCS-KRWDZBQOSA-N 1 1 334.427 2.745 40 0 EFABMO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)c1 ZINC000257276903 244393677 /nfs/dbraw/zinc/39/36/77/244393677.db2.gz NVPYCTOFWAXDLF-CYBMUJFWSA-N 1 1 335.411 2.938 40 0 EFABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H](c4ccnc(C)n4)C3)c2n1 ZINC000257277526 244396462 /nfs/dbraw/zinc/39/64/62/244396462.db2.gz NYHDKQFXYSLENU-MRXNPFEDSA-N 1 1 336.443 2.824 40 0 EFABMO CCc1cc(C[C@H]2CCC[N@@H+](CCC(N)=O)CC2)c2cnccc2n1 ZINC000257278315 244396755 /nfs/dbraw/zinc/39/67/55/244396755.db2.gz OBTBTKDPLDPXNV-HNNXBMFYSA-N 1 1 340.471 2.712 40 0 EFABMO COCCC[N@H+](Cc1[nH]nnc1-c1ccccc1)Cc1ccccn1 ZINC000019593272 212050642 /nfs/dbraw/zinc/05/06/42/212050642.db2.gz HEMJEQPUASJTNB-UHFFFAOYSA-N 1 1 337.427 2.905 40 0 EFABMO COCCC[N@@H+](Cc1[nH]nnc1-c1ccccc1)Cc1ccccn1 ZINC000019593272 212050646 /nfs/dbraw/zinc/05/06/46/212050646.db2.gz HEMJEQPUASJTNB-UHFFFAOYSA-N 1 1 337.427 2.905 40 0 EFABMO C[N@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)C2CCCCC2)C3)C1 ZINC000019588550 212049404 /nfs/dbraw/zinc/04/94/04/212049404.db2.gz BXYSHAVMXAXDPP-INIZCTEOSA-N 1 1 342.487 2.751 40 0 EFABMO CN(C)C(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C)C1 ZINC000019588498 212049259 /nfs/dbraw/zinc/04/92/59/212049259.db2.gz WEJXMVOAVXNHRI-IBGZPJMESA-N 1 1 327.428 2.684 40 0 EFABMO COc1ccc2ccccc2c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CCO ZINC000019564029 212043897 /nfs/dbraw/zinc/04/38/97/212043897.db2.gz SMYBPMHPKGPSBL-ROUUACIJSA-N 1 1 340.467 2.879 40 0 EFABMO COc1ccc2cc(CN3C[C@H]4CCC[N@H+]4C[C@@H]3CCO)ccc2c1 ZINC000019563983 212043481 /nfs/dbraw/zinc/04/34/81/212043481.db2.gz LHLWQONUZQETQM-UXHICEINSA-N 1 1 340.467 2.879 40 0 EFABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Sc2ncccn2)o1 ZINC000019575124 212046080 /nfs/dbraw/zinc/04/60/80/212046080.db2.gz HEMNDFAKYONICJ-ZIAGYGMSSA-N 1 1 330.457 2.889 40 0 EFABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc2c3ccccc3n(C)c2c1 ZINC000019575282 212045264 /nfs/dbraw/zinc/04/52/64/212045264.db2.gz ZKMWMTWZZGIFCD-BPQIPLTHSA-N 1 1 349.478 2.971 40 0 EFABMO CC[NH+]1CCN(C(=O)CCn2c(C(F)F)cc3cccnc32)CC1 ZINC000019527816 212037859 /nfs/dbraw/zinc/03/78/59/212037859.db2.gz OJFHUYYZYHNUIS-UHFFFAOYSA-N 1 1 336.386 2.528 40 0 EFABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)no1 ZINC000019503722 212035571 /nfs/dbraw/zinc/03/55/71/212035571.db2.gz KQDLYIANGVHBTP-OAHLLOKOSA-N 1 1 328.416 2.589 40 0 EFABMO CCc1ncc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cn1 ZINC000019523306 212036966 /nfs/dbraw/zinc/03/69/66/212036966.db2.gz XVQVAXGZLDGLRO-XEWABKELSA-N 1 1 338.455 2.554 40 0 EFABMO C[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000019496546 212031889 /nfs/dbraw/zinc/03/18/89/212031889.db2.gz KBXPRKJLVVURMI-LLVKDONJSA-N 1 1 346.397 2.679 40 0 EFABMO C[C@H](NC(=O)CC[NH+]1CCN(C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458549 212030174 /nfs/dbraw/zinc/03/01/74/212030174.db2.gz AZVBKEOYZLCXOU-ZDUSSCGKSA-N 1 1 349.862 2.901 40 0 EFABMO O=C(Nc1ccccc1)c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000077963746 217006375 /nfs/dbraw/zinc/00/63/75/217006375.db2.gz MSVJQYWHIKJIDQ-AWEZNQCLSA-N 1 1 348.410 2.836 40 0 EFABMO O=c1cc(-c2cccnc2)nc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)[nH]1 ZINC000019340261 212017861 /nfs/dbraw/zinc/01/78/61/212017861.db2.gz PVYXRRYJPXUYOO-QGZVFWFLSA-N 1 1 347.422 2.607 40 0 EFABMO Cn1ccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019291374 212011900 /nfs/dbraw/zinc/01/19/00/212011900.db2.gz USTSSJTWDYBEBH-RTHVDDQRSA-N 1 1 347.409 2.818 40 0 EFABMO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000019291380 212011930 /nfs/dbraw/zinc/01/19/30/212011930.db2.gz WWEHVDGRVOTKIG-XEWABKELSA-N 1 1 341.455 2.548 40 0 EFABMO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(Cl)cc1 ZINC000019286354 212010556 /nfs/dbraw/zinc/01/05/56/212010556.db2.gz SUNSSIBFRXCURX-LSDHHAIUSA-N 1 1 329.831 2.864 40 0 EFABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)cc(=O)[nH]1 ZINC000019285272 212010355 /nfs/dbraw/zinc/01/03/55/212010355.db2.gz RNARUPPGFFIUQF-INIZCTEOSA-N 1 1 338.455 2.668 40 0 EFABMO Cc1ccc(C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)s1 ZINC000019216927 212006119 /nfs/dbraw/zinc/00/61/19/212006119.db2.gz PQIQASMLSYCTGB-HNNXBMFYSA-N 1 1 342.468 2.812 40 0 EFABMO COCc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)o1 ZINC000019216013 212005671 /nfs/dbraw/zinc/00/56/71/212005671.db2.gz CMNMFJHNIYKMEC-CVAIRZPRSA-N 1 1 342.439 2.859 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000078394328 217047092 /nfs/dbraw/zinc/04/70/92/217047092.db2.gz XCALAKMQEKKWGU-OAHLLOKOSA-N 1 1 329.444 2.638 40 0 EFABMO COc1cc2[nH+]c(NCc3ccc(C)nc3)nc(N)c2cc1OC ZINC000078876466 217136261 /nfs/dbraw/zinc/13/62/61/217136261.db2.gz MXSOAVIGPMKMRH-UHFFFAOYSA-N 1 1 325.372 2.545 40 0 EFABMO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000079049946 217181811 /nfs/dbraw/zinc/18/18/11/217181811.db2.gz FDCKEYBCHXUKIZ-KRWDZBQOSA-N 1 1 335.411 2.583 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1COc1ccccc1 ZINC000079100121 217193611 /nfs/dbraw/zinc/19/36/11/217193611.db2.gz PJVQEAUTDQVWPS-OAHLLOKOSA-N 1 1 328.416 2.508 40 0 EFABMO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1COc1ccccc1 ZINC000079100121 217193613 /nfs/dbraw/zinc/19/36/13/217193613.db2.gz PJVQEAUTDQVWPS-OAHLLOKOSA-N 1 1 328.416 2.508 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000079354347 217214054 /nfs/dbraw/zinc/21/40/54/217214054.db2.gz FTKNIZLWTDTSCA-ROUUACIJSA-N 1 1 327.428 2.752 40 0 EFABMO Cn1ccnc1COc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000079354347 217214056 /nfs/dbraw/zinc/21/40/56/217214056.db2.gz FTKNIZLWTDTSCA-ROUUACIJSA-N 1 1 327.428 2.752 40 0 EFABMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1 ZINC000079361187 217216407 /nfs/dbraw/zinc/21/64/07/217216407.db2.gz MRZNTBPLLSWREB-VQIMIIECSA-N 1 1 347.503 2.619 40 0 EFABMO CC(C)[N@H+](CCN)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391834 217218264 /nfs/dbraw/zinc/21/82/64/217218264.db2.gz VQHMNCFCSIYECI-SFHVURJKSA-N 1 1 333.476 2.847 40 0 EFABMO CC(C)[N@@H+](CCN)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391834 217218266 /nfs/dbraw/zinc/21/82/66/217218266.db2.gz VQHMNCFCSIYECI-SFHVURJKSA-N 1 1 333.476 2.847 40 0 EFABMO COc1cc(-c2ccccc2)ccc1CNC[C@H]1C[N@H+](C)CCN1C ZINC000110712331 220060075 /nfs/dbraw/zinc/06/00/75/220060075.db2.gz XCRNYSIYSXLKGC-FQEVSTJZSA-N 1 1 339.483 2.698 40 0 EFABMO COc1cc(-c2ccccc2)ccc1CNC[C@H]1C[N@@H+](C)CCN1C ZINC000110712331 220060079 /nfs/dbraw/zinc/06/00/79/220060079.db2.gz XCRNYSIYSXLKGC-FQEVSTJZSA-N 1 1 339.483 2.698 40 0 EFABMO C[N@@H+](Cc1ccc(Br)c(F)c1)C1CCS(=O)CC1 ZINC000079463144 217229438 /nfs/dbraw/zinc/22/94/38/217229438.db2.gz CLIDVQQGNSGMTD-UHFFFAOYSA-N 1 1 334.254 2.931 40 0 EFABMO Cc1ccc(CCCC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000079545910 217239827 /nfs/dbraw/zinc/23/98/27/217239827.db2.gz COXMAWNJRZSUBJ-KRWDZBQOSA-N 1 1 349.544 2.618 40 0 EFABMO C[C@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000079778801 217253640 /nfs/dbraw/zinc/25/36/40/217253640.db2.gz VAFDTSLKQUGORT-HOCLYGCPSA-N 1 1 327.432 2.595 40 0 EFABMO C[C@@H]1C[C@@H](Nc2cnn(C)c(=O)c2Cl)CC[N@H+]1Cc1ccccc1 ZINC000080230951 217290346 /nfs/dbraw/zinc/29/03/46/217290346.db2.gz QOSYQRQEPYPZQG-HIFRSBDPSA-N 1 1 346.862 2.899 40 0 EFABMO COc1cccc(C[NH+]2CCC(O)(c3cccnc3F)CC2)c1OC ZINC000012329986 211348578 /nfs/dbraw/zinc/34/85/78/211348578.db2.gz JKDHWMWJFFLSOE-UHFFFAOYSA-N 1 1 346.402 2.722 40 0 EFABMO CNc1ncccc1CN1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000012240988 211327549 /nfs/dbraw/zinc/32/75/49/211327549.db2.gz SBJWEEOKRLCNCE-QGZVFWFLSA-N 1 1 338.455 2.559 40 0 EFABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3cncn3C)C2)on1 ZINC000012221522 211323540 /nfs/dbraw/zinc/32/35/40/211323540.db2.gz UFJBDXURBMKLFK-GFCCVEGCSA-N 1 1 344.444 2.615 40 0 EFABMO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3cncn3C)C2)on1 ZINC000012221522 211323543 /nfs/dbraw/zinc/32/35/43/211323543.db2.gz UFJBDXURBMKLFK-GFCCVEGCSA-N 1 1 344.444 2.615 40 0 EFABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cn2nnc3ccccc32)C1 ZINC000012119090 211298308 /nfs/dbraw/zinc/29/83/08/211298308.db2.gz VPWFAHHVJUPRAC-CQSZACIVSA-N 1 1 349.394 2.634 40 0 EFABMO O=c1oc2ccccc2n1[C@@H]1CCC[N@@H+](Cn2nnc3ccccc32)C1 ZINC000012119090 211298314 /nfs/dbraw/zinc/29/83/14/211298314.db2.gz VPWFAHHVJUPRAC-CQSZACIVSA-N 1 1 349.394 2.634 40 0 EFABMO CCn1ncc(C[N@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012119258 211297635 /nfs/dbraw/zinc/29/76/35/211297635.db2.gz NURMJZRHQQXONJ-MRXNPFEDSA-N 1 1 340.427 2.956 40 0 EFABMO CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)C1CCCCC1 ZINC000012114391 211292840 /nfs/dbraw/zinc/29/28/40/211292840.db2.gz QOPQGNVCRISGCY-XEWABKELSA-N 1 1 346.471 2.885 40 0 EFABMO CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)C1CCCCC1 ZINC000012114391 211292846 /nfs/dbraw/zinc/29/28/46/211292846.db2.gz QOPQGNVCRISGCY-XEWABKELSA-N 1 1 346.471 2.885 40 0 EFABMO O=c1c2ccccc2nnn1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000012145962 211306746 /nfs/dbraw/zinc/30/67/46/211306746.db2.gz KASQFFFUUQQUEJ-UHFFFAOYSA-N 1 1 338.386 2.768 40 0 EFABMO COc1ccccc1CN(Cc1c[nH+]c(C)n1C)C[C@@H]1CCCO1 ZINC000012147108 211306673 /nfs/dbraw/zinc/30/66/73/211306673.db2.gz VDWKMBAJVMCNAD-SFHVURJKSA-N 1 1 329.444 2.918 40 0 EFABMO O=C(Nc1ccc2c(c1)COC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000092047906 218110475 /nfs/dbraw/zinc/11/04/75/218110475.db2.gz DRPNMKBBIHPBEV-IBGZPJMESA-N 1 1 338.407 2.556 40 0 EFABMO O=C(Nc1ccc2c(c1)COC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000092047906 218110478 /nfs/dbraw/zinc/11/04/78/218110478.db2.gz DRPNMKBBIHPBEV-IBGZPJMESA-N 1 1 338.407 2.556 40 0 EFABMO O=C(Nc1ccc2c(c1)COC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000092047907 218110734 /nfs/dbraw/zinc/11/07/34/218110734.db2.gz DRPNMKBBIHPBEV-LJQANCHMSA-N 1 1 338.407 2.556 40 0 EFABMO O=C(Nc1ccc2c(c1)COC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000092047907 218110735 /nfs/dbraw/zinc/11/07/35/218110735.db2.gz DRPNMKBBIHPBEV-LJQANCHMSA-N 1 1 338.407 2.556 40 0 EFABMO COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C)cc2)[NH+](C)C)c1 ZINC000010091199 211146816 /nfs/dbraw/zinc/14/68/16/211146816.db2.gz ZZLFQXMEPYIIAW-GOSISDBHSA-N 1 1 348.468 2.585 40 0 EFABMO COc1ccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c(OC)c1 ZINC000093716590 218243435 /nfs/dbraw/zinc/24/34/35/218243435.db2.gz JTZJKFSDIRQFPA-UHFFFAOYSA-N 1 1 348.472 2.576 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)c(OC)c1 ZINC000093716590 218243438 /nfs/dbraw/zinc/24/34/38/218243438.db2.gz JTZJKFSDIRQFPA-UHFFFAOYSA-N 1 1 348.472 2.576 40 0 EFABMO CSC[C@@H]1CCC[N@H+]1Cc1ccccc1N1CCN(C(C)=O)CC1 ZINC000093761662 218246636 /nfs/dbraw/zinc/24/66/36/218246636.db2.gz XJSNCNUTARILKG-SFHVURJKSA-N 1 1 347.528 2.683 40 0 EFABMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(-n3cncn3)cc2)o1 ZINC000095421543 218363554 /nfs/dbraw/zinc/36/35/54/218363554.db2.gz WKSNAVLYNITDQI-KGLIPLIRSA-N 1 1 339.399 2.847 40 0 EFABMO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)ccc1F ZINC000095421753 218364089 /nfs/dbraw/zinc/36/40/89/218364089.db2.gz GCQNUPKROOGQGS-SECBINFHSA-N 1 1 338.242 2.674 40 0 EFABMO CC1CC[NH+](CCN2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000095426446 218368542 /nfs/dbraw/zinc/36/85/42/218368542.db2.gz OAFPNJDTGAXARZ-UHFFFAOYSA-N 1 1 333.495 2.718 40 0 EFABMO Cc1ncsc1CNc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000095428975 218372066 /nfs/dbraw/zinc/37/20/66/218372066.db2.gz HXVCDZANAIIHPC-HNNXBMFYSA-N 1 1 344.484 2.761 40 0 EFABMO O=C(c1ccn2cncc2c1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000095449973 218394064 /nfs/dbraw/zinc/39/40/64/218394064.db2.gz PKBWHFFDGCXKDD-SFHVURJKSA-N 1 1 334.423 2.729 40 0 EFABMO c1coc(COCc2ncn3c2C[N@H+](Cc2cccnc2)CCC3)c1 ZINC000096059040 218552083 /nfs/dbraw/zinc/55/20/83/218552083.db2.gz DCYDRKWGYMEOAX-UHFFFAOYSA-N 1 1 338.411 2.994 40 0 EFABMO c1coc(COCc2ncn3c2C[N@@H+](Cc2cccnc2)CCC3)c1 ZINC000096059040 218552085 /nfs/dbraw/zinc/55/20/85/218552085.db2.gz DCYDRKWGYMEOAX-UHFFFAOYSA-N 1 1 338.411 2.994 40 0 EFABMO O=C1[C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054632 218544467 /nfs/dbraw/zinc/54/44/67/218544467.db2.gz RNHYYONPCDKCKI-IRXDYDNUSA-N 1 1 327.453 2.624 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)c1cccc(Cl)c1)CC2 ZINC000096207585 218682624 /nfs/dbraw/zinc/68/26/24/218682624.db2.gz BNWJMVUCEIXTBU-MRXNPFEDSA-N 1 1 336.863 2.913 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[C@@H](CN1CCCC1=O)O2 ZINC000096207689 218683382 /nfs/dbraw/zinc/68/33/82/218683382.db2.gz QQEIKZSMWPAZMC-MAUKXSAKSA-N 1 1 349.500 2.588 40 0 EFABMO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccccc4C)C[C@@H]32)C1=O ZINC000096261440 218731159 /nfs/dbraw/zinc/73/11/59/218731159.db2.gz RRNQETZUPWRCGJ-WSTZPKSXSA-N 1 1 325.456 2.856 40 0 EFABMO CN(C)c1cc(C[NH2+][C@@H](C(N)=O)c2ccccc2)c2ccccc2n1 ZINC000096437342 218817721 /nfs/dbraw/zinc/81/77/21/218817721.db2.gz WPQSOHODVMULRY-LJQANCHMSA-N 1 1 334.423 2.617 40 0 EFABMO Cc1[nH+]ccn1-c1cncc(N[C@@H](C)[C@H](O)c2ccc(F)cc2)n1 ZINC000097104621 218955309 /nfs/dbraw/zinc/95/53/09/218955309.db2.gz XAUKJTGHBUDJAI-GTNSWQLSSA-N 1 1 327.363 2.644 40 0 EFABMO COc1ccc(-c2nsc3c2ncnc3N2CC[NH+](C)CC2)cc1 ZINC000004894945 210314238 /nfs/dbraw/zinc/31/42/38/210314238.db2.gz FIYZYRFBTISERE-UHFFFAOYSA-N 1 1 341.440 2.514 40 0 EFABMO C[N@H+](Cc1cc(Br)cc2c1OCC2)C[C@H]1CCOC1 ZINC000097379063 219020120 /nfs/dbraw/zinc/02/01/20/219020120.db2.gz DZQDATOXPUTRJZ-LLVKDONJSA-N 1 1 326.234 2.852 40 0 EFABMO COc1cccc(Nc2nc(N)nc(C[NH+]3[C@@H](C)CCC[C@@H]3C)n2)c1 ZINC000007496404 257864837 /nfs/dbraw/zinc/86/48/37/257864837.db2.gz FXPDLCZPBGXTJQ-STQMWFEESA-N 1 1 342.447 2.969 40 0 EFABMO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2C[N@@H+](C3CCC3)C[C@@H]21 ZINC000306137635 257923599 /nfs/dbraw/zinc/92/35/99/257923599.db2.gz RBZXFKBPRNAVRJ-HKUYNNGSSA-N 1 1 340.448 2.856 40 0 EFABMO COc1ccc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032895 258002435 /nfs/dbraw/zinc/00/24/35/258002435.db2.gz UAFWRUVIBPKRQZ-QFBILLFUSA-N 1 1 340.471 2.828 40 0 EFABMO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN(CCO)CC1 ZINC000347631657 533405432 /nfs/dbraw/zinc/40/54/32/533405432.db2.gz FTAAIKYDLCSZEX-SDNWHVSQSA-N 1 1 328.378 2.719 40 0 EFABMO COc1cc(OC)nc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342353153 274098331 /nfs/dbraw/zinc/09/83/31/274098331.db2.gz VZPDHAMMZDDZLV-OAHLLOKOSA-N 1 1 342.443 2.595 40 0 EFABMO c1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)co1 ZINC000096061683 275064365 /nfs/dbraw/zinc/06/43/65/275064365.db2.gz ALOVFZUMORXSMG-UXHICEINSA-N 1 1 326.440 2.797 40 0 EFABMO CCN1CC[C@H]([NH2+]Cc2csnn2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370840 276230204 /nfs/dbraw/zinc/23/02/04/276230204.db2.gz WYFIZOCEUQNUFB-DZGCQCFKSA-N 1 1 342.390 2.881 40 0 EFABMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(-c3ccncc3)c3cnccc3n2)C1 ZINC000019588518 277054080 /nfs/dbraw/zinc/05/40/80/277054080.db2.gz OAFSVYGDWGIPFC-OAHLLOKOSA-N 1 1 347.422 2.516 40 0 EFABMO CNC(=O)COc1ccccc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000225439369 277231054 /nfs/dbraw/zinc/23/10/54/277231054.db2.gz ULYRHXZYZQPSJD-INIZCTEOSA-N 1 1 344.386 2.564 40 0 EFABMO CC(=O)N[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000075640006 278179265 /nfs/dbraw/zinc/17/92/65/278179265.db2.gz QZKUYGNCPTZHDT-BBRMVZONSA-N 1 1 344.377 2.513 40 0 EFABMO CC(=O)N[C@H]1CCC[N@@H+](C[C@](C)(O)c2ccccc2C(F)(F)F)C1 ZINC000075640006 278179268 /nfs/dbraw/zinc/17/92/68/278179268.db2.gz QZKUYGNCPTZHDT-BBRMVZONSA-N 1 1 344.377 2.513 40 0 EFABMO Cc1nc(NC(=O)CN2CCC[C@@H]3[C@H]2CCCC[N@@H+]3C)sc1C ZINC000257333996 279096564 /nfs/dbraw/zinc/09/65/64/279096564.db2.gz YEBKDXMQGTWKOU-HUUCEWRRSA-N 1 1 336.505 2.647 40 0 EFABMO O=C([C@H]1C[N@H+](Cc2ccc(F)cc2)CC12CCOCC2)N1CCCC1 ZINC000096052185 280143564 /nfs/dbraw/zinc/14/35/64/280143564.db2.gz JUJRAZRCDMXFSD-GOSISDBHSA-N 1 1 346.446 2.677 40 0 EFABMO COc1ccc2c(c1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1CCC1(C3)OCCO1 ZINC000001705712 295273015 /nfs/dbraw/zinc/27/30/15/295273015.db2.gz YBAAMDKMCNQZGQ-NZSAHSFTSA-N 1 1 329.440 2.736 40 0 EFABMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000245316819 302150877 /nfs/dbraw/zinc/15/08/77/302150877.db2.gz KQUQAUJKYOFORL-AEFFLSMTSA-N 1 1 336.501 2.804 40 0 EFABMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234345 323213802 /nfs/dbraw/zinc/21/38/02/323213802.db2.gz BQKIJFBCRAWMNP-NVXWUHKLSA-N 1 1 331.464 2.663 40 0 EFABMO Cc1cc(C)n2c(C[NH2+][C@H](C[S@@](C)=O)c3ccccc3)cnc2n1 ZINC000154728883 323220645 /nfs/dbraw/zinc/22/06/45/323220645.db2.gz ANZOMTBGALVIJL-OSPHWJPCSA-N 1 1 342.468 2.556 40 0 EFABMO O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)Nc1ccccc1 ZINC000183908012 323350736 /nfs/dbraw/zinc/35/07/36/323350736.db2.gz RZXODRKFRBHXTI-HNNXBMFYSA-N 1 1 349.228 2.711 40 0 EFABMO CCOC[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)C1 ZINC000081494425 473209055 /nfs/dbraw/zinc/20/90/55/473209055.db2.gz LBWBXGHOSRDOOB-IRXDYDNUSA-N 1 1 337.508 2.852 40 0 EFABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1 ZINC000095533755 473221766 /nfs/dbraw/zinc/22/17/66/473221766.db2.gz HWKKGUDGZPDRGV-GFCCVEGCSA-N 1 1 349.188 2.884 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cn1 ZINC000096039952 473259514 /nfs/dbraw/zinc/25/95/14/473259514.db2.gz ADQWHPHVUMRGFK-WOJBJXKFSA-N 1 1 347.503 2.998 40 0 EFABMO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)no1 ZINC000096040044 473260171 /nfs/dbraw/zinc/26/01/71/473260171.db2.gz PMKBKFMWSLJBHL-RTBURBONSA-N 1 1 343.427 2.828 40 0 EFABMO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3cccnc3)C2)no1 ZINC000096040044 473260178 /nfs/dbraw/zinc/26/01/78/473260178.db2.gz PMKBKFMWSLJBHL-RTBURBONSA-N 1 1 343.427 2.828 40 0 EFABMO O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccsc2)C1 ZINC000096041273 473261815 /nfs/dbraw/zinc/26/18/15/473261815.db2.gz NYKYHZKBHZUOAN-USXIJHARSA-N 1 1 346.452 2.637 40 0 EFABMO c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccc2)c1 ZINC000096041844 473263461 /nfs/dbraw/zinc/26/34/61/473263461.db2.gz FGWQXGJKFYEVBY-XUVXKRRUSA-N 1 1 341.455 2.722 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042616 473265635 /nfs/dbraw/zinc/26/56/35/473265635.db2.gz PTMVGSYKRSUFSE-ZACQAIPSSA-N 1 1 347.390 2.636 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@@H](Oc2ncccc2F)[C@H]2OCCC[C@H]21 ZINC000096042616 473265637 /nfs/dbraw/zinc/26/56/37/473265637.db2.gz PTMVGSYKRSUFSE-ZACQAIPSSA-N 1 1 347.390 2.636 40 0 EFABMO O=C([C@@H]1CCO[C@@H]2CC[N@@H+](CCc3ccccc3)C[C@@H]21)N1CCCC1 ZINC000096043438 473264710 /nfs/dbraw/zinc/26/47/10/473264710.db2.gz WZIFZWJYAGYFFA-VAMGGRTRSA-N 1 1 342.483 2.579 40 0 EFABMO O=C(NCc1ccco1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096043015 473264962 /nfs/dbraw/zinc/26/49/62/473264962.db2.gz QTEFTTNHWRFLSB-BHYGNILZSA-N 1 1 346.452 2.637 40 0 EFABMO CC1CCN(C(=O)[C@H]2C[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@H]3O2)CC1 ZINC000096042769 473265084 /nfs/dbraw/zinc/26/50/84/473265084.db2.gz BCJLSILNLQNHII-RCCFBDPRSA-N 1 1 348.512 2.986 40 0 EFABMO Cc1nc([C@H]2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3O2)sc1C ZINC000096046103 473267153 /nfs/dbraw/zinc/26/71/53/473267153.db2.gz HPKSQBDZKNBFIL-ARFHVFGLSA-N 1 1 332.473 2.846 40 0 EFABMO Cc1nc([C@H]2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3O2)sc1C ZINC000096046103 473267163 /nfs/dbraw/zinc/26/71/63/473267163.db2.gz HPKSQBDZKNBFIL-ARFHVFGLSA-N 1 1 332.473 2.846 40 0 EFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045833 473267217 /nfs/dbraw/zinc/26/72/17/473267217.db2.gz KJAGXQDIOGHCAP-RWMBFGLXSA-N 1 1 332.429 2.674 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2C[C@@H](c3nnc(C4CC4)o3)O[C@@H]2C1 ZINC000096045833 473267229 /nfs/dbraw/zinc/26/72/29/473267229.db2.gz KJAGXQDIOGHCAP-RWMBFGLXSA-N 1 1 332.429 2.674 40 0 EFABMO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccoc2)C3)nn1 ZINC000096048441 473270570 /nfs/dbraw/zinc/27/05/70/473270570.db2.gz NQBVHPHEFQBGNR-WMZOPIPTSA-N 1 1 328.416 2.614 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268294 /nfs/dbraw/zinc/26/82/94/473268294.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 1 1 328.460 2.810 40 0 EFABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268301 /nfs/dbraw/zinc/26/83/01/473268301.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 1 1 328.460 2.810 40 0 EFABMO Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)o1 ZINC000096046984 473268311 /nfs/dbraw/zinc/26/83/11/473268311.db2.gz IOVNZIVELFNJBW-LJQANCHMSA-N 1 1 328.460 2.810 40 0 EFABMO CN(Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048047 473268858 /nfs/dbraw/zinc/26/88/58/473268858.db2.gz FWYHMRXLVKEIGG-IBGZPJMESA-N 1 1 341.455 2.930 40 0 EFABMO CN(Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccco1)CC2 ZINC000096048069 473269799 /nfs/dbraw/zinc/26/97/99/473269799.db2.gz OJFPGAYCGYMRCY-SFHVURJKSA-N 1 1 341.455 2.930 40 0 EFABMO c1cncc(O[C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096048283 473270607 /nfs/dbraw/zinc/27/06/07/473270607.db2.gz HQMFHDUGDMPZQL-RBUKOAKNSA-N 1 1 332.444 2.511 40 0 EFABMO c1cncc(O[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)c1 ZINC000096048264 473270816 /nfs/dbraw/zinc/27/08/16/473270816.db2.gz FPHUCWOELQBEQG-MOPGFXCFSA-N 1 1 325.412 2.679 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000096048656 473271562 /nfs/dbraw/zinc/27/15/62/473271562.db2.gz GAMNPGRGQVRBEP-FQEVSTJZSA-N 1 1 339.439 2.998 40 0 EFABMO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccco2)C3)nn1 ZINC000096048433 473271891 /nfs/dbraw/zinc/27/18/91/473271891.db2.gz HBVANDHTTWTLFS-YJBOKZPZSA-N 1 1 328.416 2.614 40 0 EFABMO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096048654 473271956 /nfs/dbraw/zinc/27/19/56/473271956.db2.gz YBAGZHXNRZMMEF-SFHVURJKSA-N 1 1 342.468 2.553 40 0 EFABMO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+](Cc1cccs1)CCO2 ZINC000096049109 473272303 /nfs/dbraw/zinc/27/23/03/473272303.db2.gz QPAYQXSWZXSZOW-SFHVURJKSA-N 1 1 346.452 2.848 40 0 EFABMO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+](Cc1cccs1)CCO2 ZINC000096049109 473272310 /nfs/dbraw/zinc/27/23/10/473272310.db2.gz QPAYQXSWZXSZOW-SFHVURJKSA-N 1 1 346.452 2.848 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)o1 ZINC000096048657 473272362 /nfs/dbraw/zinc/27/23/62/473272362.db2.gz GAMNPGRGQVRBEP-HXUWFJFHSA-N 1 1 339.439 2.998 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccco3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050760 473273001 /nfs/dbraw/zinc/27/30/01/473273001.db2.gz VLIIXZOYCWGADD-LJQANCHMSA-N 1 1 340.379 2.637 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3ccco3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050759 473273471 /nfs/dbraw/zinc/27/34/71/473273471.db2.gz VLIIXZOYCWGADD-IBGZPJMESA-N 1 1 340.379 2.637 40 0 EFABMO c1cncc(C[N@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049559 473273539 /nfs/dbraw/zinc/27/35/39/473273539.db2.gz XMTBGZPBESEEDN-HXUWFJFHSA-N 1 1 338.455 2.596 40 0 EFABMO O=C1C[C@]2(CC[N@H+](Cc3nccs3)C2)CN1c1cccc(F)c1 ZINC000096050717 473274271 /nfs/dbraw/zinc/27/42/71/473274271.db2.gz WLANIMXOHKHYRN-KRWDZBQOSA-N 1 1 331.416 2.911 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3nccs3)C2)CN1c1cccc(F)c1 ZINC000096050717 473274275 /nfs/dbraw/zinc/27/42/75/473274275.db2.gz WLANIMXOHKHYRN-KRWDZBQOSA-N 1 1 331.416 2.911 40 0 EFABMO COc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)cc1 ZINC000096049133 473274663 /nfs/dbraw/zinc/27/46/63/473274663.db2.gz CAJOUUOFAQAKFO-FQEVSTJZSA-N 1 1 346.471 2.545 40 0 EFABMO COc1ccc(C[N@H+]2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)cc1 ZINC000096049133 473274669 /nfs/dbraw/zinc/27/46/69/473274669.db2.gz CAJOUUOFAQAKFO-FQEVSTJZSA-N 1 1 346.471 2.545 40 0 EFABMO COc1cc2c(=O)ncn(Cc3[nH+]cc(C)c(OC)c3C)c2cc1F ZINC000184908831 473270686 /nfs/dbraw/zinc/27/06/86/473270686.db2.gz FSJFGPDNCYSNFF-UHFFFAOYSA-N 1 1 343.358 2.613 40 0 EFABMO O=C([C@@H]1C[N@@H+](Cc2cccs2)CC12CCOCC2)N1CCCC1 ZINC000096052174 473275558 /nfs/dbraw/zinc/27/55/58/473275558.db2.gz WRVAIJVKHHVILV-INIZCTEOSA-N 1 1 334.485 2.599 40 0 EFABMO Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3Cc2ccsc2)n1 ZINC000096054035 473275807 /nfs/dbraw/zinc/27/58/07/473275807.db2.gz XKDKAEHIVITBTB-IRXDYDNUSA-N 1 1 327.453 2.827 40 0 EFABMO O=C(NCC1CC1)[C@H]1C[N@@H+](Cc2cccs2)CC12CCOCC2 ZINC000096052123 473276222 /nfs/dbraw/zinc/27/62/22/473276222.db2.gz LTCICUIAGVCCTE-MRXNPFEDSA-N 1 1 334.485 2.503 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3CN(Cc4cccc(F)c4)C(=O)[C@H]3C2)o1 ZINC000096053712 473276238 /nfs/dbraw/zinc/27/62/38/473276238.db2.gz NRAIWGJDLGBCQL-YJBOKZPZSA-N 1 1 328.387 2.818 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051175 473276464 /nfs/dbraw/zinc/27/64/64/473276464.db2.gz SDLQFQWGLTVADH-MRXNPFEDSA-N 1 1 334.370 2.807 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](Cn4ccnc4)CO3)C2)s1 ZINC000096052067 473276644 /nfs/dbraw/zinc/27/66/44/473276644.db2.gz CWWDOTJNCULINI-AEFFLSMTSA-N 1 1 347.484 2.561 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@]12CCN(c1ncccn1)C2 ZINC000096051165 473276723 /nfs/dbraw/zinc/27/67/23/473276723.db2.gz IWZZAPXPOKORIP-INIZCTEOSA-N 1 1 334.370 2.807 40 0 EFABMO c1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096055307 473277642 /nfs/dbraw/zinc/27/76/42/473277642.db2.gz PLZZMIGDWZRXFH-YZGWKJHDSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)nc1 ZINC000096055307 473277649 /nfs/dbraw/zinc/27/76/49/473277649.db2.gz PLZZMIGDWZRXFH-YZGWKJHDSA-N 1 1 339.439 2.673 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055110 473278023 /nfs/dbraw/zinc/27/80/23/473278023.db2.gz VCDMXQBQZCWDQR-IAGOWNOFSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055110 473278028 /nfs/dbraw/zinc/27/80/28/473278028.db2.gz VCDMXQBQZCWDQR-IAGOWNOFSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)c1 ZINC000096055110 473278032 /nfs/dbraw/zinc/27/80/32/473278032.db2.gz VCDMXQBQZCWDQR-IAGOWNOFSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055025 473278551 /nfs/dbraw/zinc/27/85/51/473278551.db2.gz QAOGTQNLVVYECZ-DLBZAZTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055025 473278557 /nfs/dbraw/zinc/27/85/57/473278557.db2.gz QAOGTQNLVVYECZ-DLBZAZTESA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055025 473278563 /nfs/dbraw/zinc/27/85/63/473278563.db2.gz QAOGTQNLVVYECZ-DLBZAZTESA-N 1 1 329.469 2.618 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3CCN(C(=O)c4cscn4)C[C@H]3C2)o1 ZINC000096054143 473278899 /nfs/dbraw/zinc/27/88/99/473278899.db2.gz NOTYZXFXVNPIKB-ZIAGYGMSSA-N 1 1 331.441 2.639 40 0 EFABMO Cc1cccc(CO[C@H]2C[C@H]3CN(Cc4ccsc4)CC[N@H+]3C2)n1 ZINC000096055077 473279734 /nfs/dbraw/zinc/27/97/34/473279734.db2.gz QZYJRGYUHLKPJL-OALUTQOASA-N 1 1 343.496 2.927 40 0 EFABMO c1csc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055023 473279965 /nfs/dbraw/zinc/27/99/65/473279965.db2.gz QAOGTQNLVVYECZ-IAGOWNOFSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@@H+]2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055023 473279970 /nfs/dbraw/zinc/27/99/70/473279970.db2.gz QAOGTQNLVVYECZ-IAGOWNOFSA-N 1 1 329.469 2.618 40 0 EFABMO c1csc(C[N@H+]2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055023 473279972 /nfs/dbraw/zinc/27/99/72/473279972.db2.gz QAOGTQNLVVYECZ-IAGOWNOFSA-N 1 1 329.469 2.618 40 0 EFABMO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccncc2)cs1 ZINC000096056585 473280323 /nfs/dbraw/zinc/28/03/23/473280323.db2.gz VXFUUXGETDOCON-IAGOWNOFSA-N 1 1 342.468 2.612 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(CC[C@@H](C(=O)NCC4CC4)O3)[C@@H](C)C2)o1 ZINC000096061287 473285183 /nfs/dbraw/zinc/28/51/83/473285183.db2.gz ICPDFRMVVKDAHA-ADLFWFRXSA-N 1 1 346.471 2.874 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)o1 ZINC000096057735 473280728 /nfs/dbraw/zinc/28/07/28/473280728.db2.gz RGDPQVJYRZCMNP-BMGDILEWSA-N 1 1 341.411 2.601 40 0 EFABMO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1)N1CCCCO1 ZINC000096057398 473282087 /nfs/dbraw/zinc/28/20/87/473282087.db2.gz ROHLCOLWTRXWOC-KURKYZTESA-N 1 1 348.418 2.502 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccco2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061275 473284804 /nfs/dbraw/zinc/28/48/04/473284804.db2.gz BPZPTDPECSBJIN-UCLAIMLFSA-N 1 1 332.444 2.565 40 0 EFABMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096061660 473285560 /nfs/dbraw/zinc/28/55/60/473285560.db2.gz DYFGCEWRCQIOCT-UXHICEINSA-N 1 1 326.488 2.946 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096066220 473287074 /nfs/dbraw/zinc/28/70/74/473287074.db2.gz MRDVRWSLGLSXMF-BHYGNILZSA-N 1 1 346.452 2.637 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096066220 473287084 /nfs/dbraw/zinc/28/70/84/473287084.db2.gz MRDVRWSLGLSXMF-BHYGNILZSA-N 1 1 346.452 2.637 40 0 EFABMO c1cc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC4CCOCC4)CC[C@@H]32)co1 ZINC000096064787 473287240 /nfs/dbraw/zinc/28/72/40/473287240.db2.gz FOFXTUQKUUNSEO-QYZOEREBSA-N 1 1 335.444 2.845 40 0 EFABMO c1cnc2c(c1)C[N@@H+](Cc1ccncc1)CCN2Cc1ccncc1 ZINC000096069205 473288866 /nfs/dbraw/zinc/28/88/66/473288866.db2.gz MLSKEKWDVHQIJN-UHFFFAOYSA-N 1 1 331.423 2.894 40 0 EFABMO c1cnc2c(c1)C[N@H+](Cc1ccncc1)CCN2Cc1ccncc1 ZINC000096069205 473288867 /nfs/dbraw/zinc/28/88/67/473288867.db2.gz MLSKEKWDVHQIJN-UHFFFAOYSA-N 1 1 331.423 2.894 40 0 EFABMO O=C(c1ccco1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000096071137 473289164 /nfs/dbraw/zinc/28/91/64/473289164.db2.gz AZLHBXMUDFUERX-UHFFFAOYSA-N 1 1 325.412 2.803 40 0 EFABMO CCS(=O)(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096071284 473289265 /nfs/dbraw/zinc/28/92/65/473289265.db2.gz ODZUEMVOYQSFGJ-QGZVFWFLSA-N 1 1 340.464 2.606 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1c[nH]cn1)CC2 ZINC000096075291 473291292 /nfs/dbraw/zinc/29/12/92/473291292.db2.gz KNBRAYYYUAFRSZ-UHFFFAOYSA-N 1 1 329.448 2.645 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1CCCC12CCN(Cc1cnc[nH]1)CC2 ZINC000096075291 473291298 /nfs/dbraw/zinc/29/12/98/473291298.db2.gz KNBRAYYYUAFRSZ-UHFFFAOYSA-N 1 1 329.448 2.645 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCCC12CCN(Cc1cnc[nH]1)CC2 ZINC000096075291 473291303 /nfs/dbraw/zinc/29/13/03/473291303.db2.gz KNBRAYYYUAFRSZ-UHFFFAOYSA-N 1 1 329.448 2.645 40 0 EFABMO c1csc(C[NH+]2CCC3(C[C@H](Nc4nccs4)CO3)CC2)n1 ZINC000096074234 473291609 /nfs/dbraw/zinc/29/16/09/473291609.db2.gz VKVQVIOQDRBONQ-LBPRGKRZSA-N 1 1 336.486 2.835 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096077370 473291669 /nfs/dbraw/zinc/29/16/69/473291669.db2.gz VQKHZZIOMSNJEB-IBGZPJMESA-N 1 1 325.412 2.920 40 0 EFABMO CN1CCN(c2cc([C@@H]3c4ccccc4CCC[N@H+]3C)ccn2)CC1 ZINC000096087167 473292548 /nfs/dbraw/zinc/29/25/48/473292548.db2.gz QHCAXUGFOAAYCE-OAQYLSRUSA-N 1 1 336.483 2.801 40 0 EFABMO CN1CCN(c2cc([C@@H]3c4ccccc4CCC[N@@H+]3C)ccn2)CC1 ZINC000096087167 473292552 /nfs/dbraw/zinc/29/25/52/473292552.db2.gz QHCAXUGFOAAYCE-OAQYLSRUSA-N 1 1 336.483 2.801 40 0 EFABMO c1cc(C[N@H+]2CCO[C@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096082530 473293040 /nfs/dbraw/zinc/29/30/40/473293040.db2.gz XFEOAALUYKUMGE-QYZOEREBSA-N 1 1 328.412 2.871 40 0 EFABMO c1cc(C[N@@H+]2CCO[C@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)co1 ZINC000096082530 473293046 /nfs/dbraw/zinc/29/30/46/473293046.db2.gz XFEOAALUYKUMGE-QYZOEREBSA-N 1 1 328.412 2.871 40 0 EFABMO COc1ccc(CN2CCc3c(C[NH+]4CCCC4)n[nH]c3C2)cc1 ZINC000096084113 473293151 /nfs/dbraw/zinc/29/31/51/473293151.db2.gz FSKQIACCPOVHPR-UHFFFAOYSA-N 1 1 326.444 2.572 40 0 EFABMO c1csc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cnccn2)n1 ZINC000096081949 473293412 /nfs/dbraw/zinc/29/34/12/473293412.db2.gz KVIRWVZITOHDBZ-RRFJBIMHSA-N 1 1 329.473 2.893 40 0 EFABMO O=C(c1ccco1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096100141 473295782 /nfs/dbraw/zinc/29/57/82/473295782.db2.gz KDERMUPODSJSTH-IBGZPJMESA-N 1 1 325.412 2.803 40 0 EFABMO c1csc(C[NH+]2CCC3(CO[C@H](COc4ccccn4)C3)CC2)n1 ZINC000096106200 473298160 /nfs/dbraw/zinc/29/81/60/473298160.db2.gz AXSVOFIGFAODCA-HNNXBMFYSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[NH+]2CCC3(CO[C@H](COc4cccnc4)C3)CC2)n1 ZINC000096106084 473298361 /nfs/dbraw/zinc/29/83/61/473298361.db2.gz VVABBNWOWVYACV-INIZCTEOSA-N 1 1 345.468 2.988 40 0 EFABMO c1csc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)n1 ZINC000096106085 473298961 /nfs/dbraw/zinc/29/89/61/473298961.db2.gz VVABBNWOWVYACV-MRXNPFEDSA-N 1 1 345.468 2.988 40 0 EFABMO Cc1cc(C[NH+]2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)no1 ZINC000096106108 473299127 /nfs/dbraw/zinc/29/91/27/473299127.db2.gz WSGDGIAAPDRHPJ-GOSISDBHSA-N 1 1 343.427 2.828 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)o1 ZINC000096107640 473299568 /nfs/dbraw/zinc/29/95/68/473299568.db2.gz DRDVBZPUDPTNFO-OALUTQOASA-N 1 1 328.412 2.933 40 0 EFABMO c1ccc(O[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)nc1 ZINC000096107528 473299743 /nfs/dbraw/zinc/29/97/43/473299743.db2.gz DZOAMVYRYYSCCL-HKUYNNGSSA-N 1 1 325.412 2.679 40 0 EFABMO Fc1cccnc1O[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000096107564 473300175 /nfs/dbraw/zinc/30/01/75/473300175.db2.gz KMQBBRYVJCYNBE-LPHOPBHVSA-N 1 1 343.402 2.818 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107653 473300765 /nfs/dbraw/zinc/30/07/65/473300765.db2.gz NYHDIXCGFSBIRT-HKUYNNGSSA-N 1 1 325.412 2.597 40 0 EFABMO Cc1nc(COC[C@]23COC[C@H]2C[N@@H+](Cc2ccoc2)C3)cs1 ZINC000096108906 473302117 /nfs/dbraw/zinc/30/21/17/473302117.db2.gz UDEFTYFOUBQMCS-WBVHZDCISA-N 1 1 334.441 2.710 40 0 EFABMO Cc1ccsc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCC(=O)N(C)C)C1 ZINC000096109175 473302175 /nfs/dbraw/zinc/30/21/75/473302175.db2.gz GJFLZRRTLRZROR-QAPCUYQASA-N 1 1 336.501 2.763 40 0 EFABMO Fc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1 ZINC000096108786 473302637 /nfs/dbraw/zinc/30/26/37/473302637.db2.gz JZSVWRBQJNZYJD-UYAOXDASSA-N 1 1 349.446 2.717 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096157637 473315626 /nfs/dbraw/zinc/31/56/26/473315626.db2.gz WWAOGOYEJQMNBU-UHFFFAOYSA-N 1 1 344.484 2.610 40 0 EFABMO CCc1cnc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2nccs2)C3)nc1 ZINC000096158086 473317797 /nfs/dbraw/zinc/31/77/97/473317797.db2.gz BGHSUDQZIHYADV-SFHVURJKSA-N 1 1 343.500 2.988 40 0 EFABMO O=C(c1cnccn1)N1CCC[C@@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096158181 473318608 /nfs/dbraw/zinc/31/86/08/473318608.db2.gz ZDDOGURFCWRHAW-SFHVURJKSA-N 1 1 342.468 2.666 40 0 EFABMO Cc1cccc(N2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)[nH+]1 ZINC000096158153 473318793 /nfs/dbraw/zinc/31/87/93/473318793.db2.gz TVSZZCDJAYXAET-FQEVSTJZSA-N 1 1 336.439 2.918 40 0 EFABMO Cc1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)nc1 ZINC000096158682 473318948 /nfs/dbraw/zinc/31/89/48/473318948.db2.gz JLIHAJVFFYUARQ-MRXNPFEDSA-N 1 1 342.443 2.638 40 0 EFABMO Cc1nc(CN2C[C@@H]3C[N@H+](Cc4c(C)noc4C)C[C@@H]3C2)cs1 ZINC000096161523 473319174 /nfs/dbraw/zinc/31/91/74/473319174.db2.gz GYHXONOFPBGBRB-GASCZTMLSA-N 1 1 332.473 2.620 40 0 EFABMO Cn1cc(CN2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@@H+](C)Cc2cccnc2)cn1 ZINC000096182895 473324321 /nfs/dbraw/zinc/32/43/21/473324321.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1cccnc1)[C@H]1CCC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096182895 473324327 /nfs/dbraw/zinc/32/43/27/473324327.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 1 1 339.487 2.548 40 0 EFABMO CN(Cc1cccnc1)[C@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096182895 473324334 /nfs/dbraw/zinc/32/43/34/473324334.db2.gz MAIJHOHUNDROQG-AABGKKOBSA-N 1 1 339.487 2.548 40 0 EFABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccsc2)N1CC1CCOCC1 ZINC000096186325 473325955 /nfs/dbraw/zinc/32/59/55/473325955.db2.gz ROFYJQLHBWUAFR-IRXDYDNUSA-N 1 1 334.485 2.740 40 0 EFABMO CC(C)[N@H+]1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3cccc(F)c3)CC[C@@H]21 ZINC000096185563 473326990 /nfs/dbraw/zinc/32/69/90/473326990.db2.gz YZBLNEGZLAIEHH-NEWSRXKRSA-N 1 1 347.478 2.701 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccc(C)nc2)o1 ZINC000096184681 473327164 /nfs/dbraw/zinc/32/71/64/473327164.db2.gz YKFUPPCAWVDJBM-ZWKOTPCHSA-N 1 1 325.412 2.780 40 0 EFABMO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096184199 473327189 /nfs/dbraw/zinc/32/71/89/473327189.db2.gz QHIPMPYEZNVJFO-RBUKOAKNSA-N 1 1 339.439 2.921 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096184199 473327198 /nfs/dbraw/zinc/32/71/98/473327198.db2.gz QHIPMPYEZNVJFO-RBUKOAKNSA-N 1 1 339.439 2.921 40 0 EFABMO CN(Cc1cccnc1)[C@@H]1C[N@@H+](Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185996 473327537 /nfs/dbraw/zinc/32/75/37/473327537.db2.gz XYTCOIFIRWIYLT-QRVBRYPASA-N 1 1 327.428 2.538 40 0 EFABMO Cc1cc(C(=O)N2CC[C@H]3[C@H](C[C@@H](CN4CCCC4)[N@H+]3C)C2)c(C)o1 ZINC000096185591 473327950 /nfs/dbraw/zinc/32/79/50/473327950.db2.gz HZOSJWKISRJEKA-AOIWGVFYSA-N 1 1 345.487 2.527 40 0 EFABMO Cc1cc(C(=O)N2CC[C@H]3[C@H](C[C@@H](CN4CCCC4)[N@@H+]3C)C2)c(C)o1 ZINC000096185591 473327958 /nfs/dbraw/zinc/32/79/58/473327958.db2.gz HZOSJWKISRJEKA-AOIWGVFYSA-N 1 1 345.487 2.527 40 0 EFABMO O=C(NCc1ccccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCCCC2)O1 ZINC000096186991 473328514 /nfs/dbraw/zinc/32/85/14/473328514.db2.gz TXALCYZSEKBNGW-QRVBRYPASA-N 1 1 343.471 2.652 40 0 EFABMO Cc1nc(CO[C@H]2C[N@H+](Cc3cccnc3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187142 473328553 /nfs/dbraw/zinc/32/85/53/473328553.db2.gz IOIPOWFNMRDSSB-SQNIBIBYSA-N 1 1 345.468 2.795 40 0 EFABMO Cc1nc(CO[C@H]2C[N@@H+](Cc3cccnc3)[C@@H]3CCCO[C@@H]32)cs1 ZINC000096187142 473328560 /nfs/dbraw/zinc/32/85/60/473328560.db2.gz IOIPOWFNMRDSSB-SQNIBIBYSA-N 1 1 345.468 2.795 40 0 EFABMO O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)N1CC1CCOCC1 ZINC000096186332 473328983 /nfs/dbraw/zinc/32/89/83/473328983.db2.gz NGIYCAGOEQHJPG-OALUTQOASA-N 1 1 346.446 2.818 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)o1 ZINC000096186328 473329255 /nfs/dbraw/zinc/32/92/55/473329255.db2.gz JLJBPORJOJJMJD-OALUTQOASA-N 1 1 346.471 2.834 40 0 EFABMO CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096200808 473339043 /nfs/dbraw/zinc/33/90/43/473339043.db2.gz FXPUYSASMDBQIL-UXHICEINSA-N 1 1 344.499 2.965 40 0 EFABMO Fc1cccc(CN2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)c1 ZINC000096202062 473337132 /nfs/dbraw/zinc/33/71/32/473337132.db2.gz KODXQACMGQFYQC-FQEVSTJZSA-N 1 1 348.462 2.529 40 0 EFABMO Cc1ccc(CN2CCOC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000096202040 473337306 /nfs/dbraw/zinc/33/73/06/473337306.db2.gz AAFVJQUIAAJSBB-NRFANRHFSA-N 1 1 344.499 2.698 40 0 EFABMO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3cccs3)C2)C1)c1ccco1 ZINC000096206272 473340012 /nfs/dbraw/zinc/34/00/12/473340012.db2.gz ZTLIWMTZPIUJKR-KBXCAEBGSA-N 1 1 346.452 2.895 40 0 EFABMO COCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1 ZINC000096203116 473340075 /nfs/dbraw/zinc/34/00/75/473340075.db2.gz XIRGNBZNYCVMAY-SFHVURJKSA-N 1 1 336.863 2.801 40 0 EFABMO O=C(NCC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000096206667 473340265 /nfs/dbraw/zinc/34/02/65/473340265.db2.gz NBNZLLSVXKMDQX-QUCCMNQESA-N 1 1 328.456 2.584 40 0 EFABMO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+](C3CCC3)C2)O1)c1ccccc1 ZINC000096206615 473340743 /nfs/dbraw/zinc/34/07/43/473340743.db2.gz RCZXUHXKNXGBEW-AZUAARDMSA-N 1 1 328.456 2.983 40 0 EFABMO Cc1ccsc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2nc(C)n[nH]2)C1 ZINC000096207379 473342487 /nfs/dbraw/zinc/34/24/87/473342487.db2.gz ZIKJBDMNWQHVIK-KFWWJZLASA-N 1 1 332.473 2.563 40 0 EFABMO Cc1ccsc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C)[nH]2)C1 ZINC000096207379 473342492 /nfs/dbraw/zinc/34/24/92/473342492.db2.gz ZIKJBDMNWQHVIK-KFWWJZLASA-N 1 1 332.473 2.563 40 0 EFABMO Cc1ccsc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C)[nH]2)C1 ZINC000096207379 473342500 /nfs/dbraw/zinc/34/25/00/473342500.db2.gz ZIKJBDMNWQHVIK-KFWWJZLASA-N 1 1 332.473 2.563 40 0 EFABMO Cc1ccsc1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2n[nH]c(C)n2)C1 ZINC000096207379 473342506 /nfs/dbraw/zinc/34/25/06/473342506.db2.gz ZIKJBDMNWQHVIK-KFWWJZLASA-N 1 1 332.473 2.563 40 0 EFABMO Cc1ccsc1C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2Cc2n[nH]c(C)n2)C1 ZINC000096207379 473342514 /nfs/dbraw/zinc/34/25/14/473342514.db2.gz ZIKJBDMNWQHVIK-KFWWJZLASA-N 1 1 332.473 2.563 40 0 EFABMO CN(C)C(=O)C[C@@H]1OC[C@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@H]21 ZINC000096208070 473342728 /nfs/dbraw/zinc/34/27/28/473342728.db2.gz YBQCMHLZFXGKSL-INMHGKMJSA-N 1 1 336.863 2.655 40 0 EFABMO Fc1cccnc1OC[C@H]1Cn2cncc2C[N@H+](C2CCCC2)C1 ZINC000096209170 473344659 /nfs/dbraw/zinc/34/46/59/473344659.db2.gz ORJUZOIGECJXNB-CQSZACIVSA-N 1 1 330.407 2.871 40 0 EFABMO c1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)co1 ZINC000096209754 473344926 /nfs/dbraw/zinc/34/49/26/473344926.db2.gz KQPDBDQICDCMSO-AEFFLSMTSA-N 1 1 328.416 2.553 40 0 EFABMO C[N@H+]1[C@@H](COCC2CC2)CCC12CCN(C(=O)c1ccncc1)CC2 ZINC000096209335 473344977 /nfs/dbraw/zinc/34/49/77/473344977.db2.gz APVRFTWYTWMWDO-GOSISDBHSA-N 1 1 343.471 2.577 40 0 EFABMO Cn1cccc1C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](C3CCCC3)C2)O1 ZINC000096208468 473345835 /nfs/dbraw/zinc/34/58/35/473345835.db2.gz JLYYKCJSSLIQTC-FXAWDEMLSA-N 1 1 345.487 2.711 40 0 EFABMO c1csc(CN2CCC[C@]3(CC[N@H+](CCN4CCCC4)C3)C2)n1 ZINC000096215836 473346119 /nfs/dbraw/zinc/34/61/19/473346119.db2.gz XTMMXPHGKUSDQE-GOSISDBHSA-N 1 1 334.533 2.527 40 0 EFABMO c1csc(CN2CCC[C@]3(CCN(CC[NH+]4CCCC4)C3)C2)n1 ZINC000096215836 473346128 /nfs/dbraw/zinc/34/61/28/473346128.db2.gz XTMMXPHGKUSDQE-GOSISDBHSA-N 1 1 334.533 2.527 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCN(c3ncc(C)cn3)C2)C1 ZINC000096216005 473347289 /nfs/dbraw/zinc/34/72/89/473347289.db2.gz AVRAJBOBQKYZGR-LJQANCHMSA-N 1 1 341.459 2.882 40 0 EFABMO COc1cc(N2CCC[C@@]3(CC[N@@H+](CC4CCCC4)C3)C2)ncn1 ZINC000096216592 473348803 /nfs/dbraw/zinc/34/88/03/473348803.db2.gz BISSPXMZHUEFGG-IBGZPJMESA-N 1 1 330.476 2.968 40 0 EFABMO O=C(c1ccccn1)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215786 473347925 /nfs/dbraw/zinc/34/79/25/473347925.db2.gz SMGUSMCPDSVCSA-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1ccccn1)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215786 473347932 /nfs/dbraw/zinc/34/79/32/473347932.db2.gz SMGUSMCPDSVCSA-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO Fc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CCOCC1)O2 ZINC000096218124 473350004 /nfs/dbraw/zinc/35/00/04/473350004.db2.gz NHKQOPYACDJXRH-UYAOXDASSA-N 1 1 348.462 2.672 40 0 EFABMO Cc1ccc(OC[C@@H]2CO[C@@H]3C[N@@H+](Cc4ccsc4)C[C@H]23)cn1 ZINC000096219479 473350934 /nfs/dbraw/zinc/35/09/34/473350934.db2.gz DQDOMQQXFAIZKO-KBAYOESNSA-N 1 1 330.453 2.977 40 0 EFABMO c1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cc2c1OCO2 ZINC000096218661 473351349 /nfs/dbraw/zinc/35/13/49/473351349.db2.gz NPAGPIPSDCGTKB-APWZRJJASA-N 1 1 331.412 2.575 40 0 EFABMO Cc1ccc(C(=O)N2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCC2CC2)s1 ZINC000096219891 473353438 /nfs/dbraw/zinc/35/34/38/473353438.db2.gz UNCOPEXVVLFFPF-QFBILLFUSA-N 1 1 348.512 2.877 40 0 EFABMO C[N@H+]1C[C@@H](COCc2ccccn2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096220688 473354466 /nfs/dbraw/zinc/35/44/66/473354466.db2.gz PGCHWEPENQSWSZ-FXAWDEMLSA-N 1 1 341.455 2.645 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)cs1 ZINC000096224527 473355289 /nfs/dbraw/zinc/35/52/89/473355289.db2.gz XKNCZFDXKQMBSL-GOSISDBHSA-N 1 1 342.468 2.866 40 0 EFABMO O=C1N(c2cncnc2)CC[C@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096224562 473355481 /nfs/dbraw/zinc/35/54/81/473355481.db2.gz ONPLKKXABNBYMZ-KRWDZBQOSA-N 1 1 328.441 2.557 40 0 EFABMO O=C([C@H]1CCC2(CC[NH+](Cc3nccs3)CC2)CO1)N1CCCC1 ZINC000096224926 473355531 /nfs/dbraw/zinc/35/55/31/473355531.db2.gz BHUQCEMVMQVWKO-OAHLLOKOSA-N 1 1 349.500 2.527 40 0 EFABMO O=C1N(c2cncnc2)CC[C@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096224580 473355668 /nfs/dbraw/zinc/35/56/68/473355668.db2.gz NFXLDMDEUSXKIS-IBGZPJMESA-N 1 1 340.402 2.635 40 0 EFABMO c1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)cc1 ZINC000096229153 473358314 /nfs/dbraw/zinc/35/83/14/473358314.db2.gz KQWHWRTVAMZIKZ-FQEVSTJZSA-N 1 1 338.455 2.596 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cncnc4)C3=O)C2)s1 ZINC000096224567 473355918 /nfs/dbraw/zinc/35/59/18/473355918.db2.gz CHNUCXXEKYAWAZ-GOSISDBHSA-N 1 1 342.468 2.866 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2nccn2C)C3)c1 ZINC000096222742 473355952 /nfs/dbraw/zinc/35/59/52/473355952.db2.gz BPTSRPAJHQKFID-ICSRJNTNSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2nccn2C)C3)c1 ZINC000096222742 473355958 /nfs/dbraw/zinc/35/59/58/473355958.db2.gz BPTSRPAJHQKFID-ICSRJNTNSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096223641 473356230 /nfs/dbraw/zinc/35/62/30/473356230.db2.gz DBIIQEDIFLRMMA-PMACEKPBSA-N 1 1 339.439 2.988 40 0 EFABMO c1ccc(N2CCOC[C@@]3(CCC[N@H+](Cc4cccnc4)C3)C2)nc1 ZINC000096229055 473359207 /nfs/dbraw/zinc/35/92/07/473359207.db2.gz UAEKZOHVANEGJB-HXUWFJFHSA-N 1 1 338.455 2.596 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2ncccn2)C3)c1 ZINC000096229119 473359829 /nfs/dbraw/zinc/35/98/29/473359829.db2.gz WZEDPDPAMYUNAJ-SFHVURJKSA-N 1 1 344.484 2.657 40 0 EFABMO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(N(C)C)nc12 ZINC000096244004 473362048 /nfs/dbraw/zinc/36/20/48/473362048.db2.gz NLGZXLKGCMGWNV-HXUWFJFHSA-N 1 1 338.455 2.525 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccncc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239723 473362132 /nfs/dbraw/zinc/36/21/32/473362132.db2.gz XNGUCMVYVJNLLP-KRWDZBQOSA-N 1 1 345.397 2.609 40 0 EFABMO O=C(c1ccco1)N1C[C@H]2c3ccccc3[C@H]([NH+]3CCOCC3)[C@H]2C1 ZINC000096251710 473363636 /nfs/dbraw/zinc/36/36/36/473363636.db2.gz PGNVVLIKXBIFNJ-LNLFQRSKSA-N 1 1 338.407 2.522 40 0 EFABMO Cc1ccc[nH+]c1N1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096245313 473364530 /nfs/dbraw/zinc/36/45/30/473364530.db2.gz GCEKWWDDWVXXNU-RDJZCZTQSA-N 1 1 325.387 2.624 40 0 EFABMO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)n1 ZINC000096250075 473364635 /nfs/dbraw/zinc/36/46/35/473364635.db2.gz ILCVDEQFRHCVRK-UWWQBHOKSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)n1 ZINC000096250075 473364643 /nfs/dbraw/zinc/36/46/43/473364643.db2.gz ILCVDEQFRHCVRK-UWWQBHOKSA-N 1 1 345.468 2.734 40 0 EFABMO Cc1cccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC000096246254 473364667 /nfs/dbraw/zinc/36/46/67/473364667.db2.gz JSKITOAESTYWCJ-WBVHZDCISA-N 1 1 325.412 2.720 40 0 EFABMO Cc1cccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)n1 ZINC000096246254 473364677 /nfs/dbraw/zinc/36/46/77/473364677.db2.gz JSKITOAESTYWCJ-WBVHZDCISA-N 1 1 325.412 2.720 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000096246153 473364792 /nfs/dbraw/zinc/36/47/92/473364792.db2.gz GPSBAVNXHAVTFP-OTWHNJEPSA-N 1 1 328.456 2.568 40 0 EFABMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccsc1)c1ccco1 ZINC000096250302 473365070 /nfs/dbraw/zinc/36/50/70/473365070.db2.gz FCYHZPAMQDFLAJ-ZMSDIMECSA-N 1 1 346.452 2.751 40 0 EFABMO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccsc1)c1ccco1 ZINC000096250302 473365077 /nfs/dbraw/zinc/36/50/77/473365077.db2.gz FCYHZPAMQDFLAJ-ZMSDIMECSA-N 1 1 346.452 2.751 40 0 EFABMO Cc1nc(C[N@@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cs1 ZINC000096255234 473366691 /nfs/dbraw/zinc/36/66/91/473366691.db2.gz IJBXZIOXQHSJEM-UHFFFAOYSA-N 1 1 337.452 2.904 40 0 EFABMO Cc1nc(C[N@H+]2CCc3ncnc(-c4ccncc4)c3CC2)cs1 ZINC000096255234 473366699 /nfs/dbraw/zinc/36/66/99/473366699.db2.gz IJBXZIOXQHSJEM-UHFFFAOYSA-N 1 1 337.452 2.904 40 0 EFABMO CC(C)C[N@H+]1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096260446 473368053 /nfs/dbraw/zinc/36/80/53/473368053.db2.gz IPWRKRIIRHUGIB-UHFFFAOYSA-N 1 1 332.492 2.660 40 0 EFABMO Cc1ccsc1C(=O)N1CCCn2cnc(C[NH+]3CCCC3)c2C1 ZINC000096259301 473368148 /nfs/dbraw/zinc/36/81/48/473368148.db2.gz AEBQWIDQAOAKGC-UHFFFAOYSA-N 1 1 344.484 2.895 40 0 EFABMO O=C([C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1)N1CCCC1 ZINC000096262464 473369541 /nfs/dbraw/zinc/36/95/41/473369541.db2.gz AFQPIPVIRUXUAT-UYAOXDASSA-N 1 1 326.440 2.519 40 0 EFABMO Cc1nc(C2CC[NH+]([C@H]3CCCN(c4ccccc4)C3=O)CC2)no1 ZINC000096406581 473384661 /nfs/dbraw/zinc/38/46/61/473384661.db2.gz BBWAXLSVBQFURJ-KRWDZBQOSA-N 1 1 340.427 2.753 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1cccc(F)c1 ZINC000096407628 473385379 /nfs/dbraw/zinc/38/53/79/473385379.db2.gz VRAUXVFFZSRMEU-KDOFPFPSSA-N 1 1 327.403 2.861 40 0 EFABMO CC[C@H]1CN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C[C@@H](C)O1 ZINC000096408941 473387050 /nfs/dbraw/zinc/38/70/50/473387050.db2.gz XSIZTRUPACPMRC-WBVHZDCISA-N 1 1 346.475 2.568 40 0 EFABMO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000084090362 473388226 /nfs/dbraw/zinc/38/82/26/473388226.db2.gz QFJNPEUQNWGCFV-ZBFHGGJFSA-N 1 1 329.437 2.622 40 0 EFABMO COc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000084090362 473388235 /nfs/dbraw/zinc/38/82/35/473388235.db2.gz QFJNPEUQNWGCFV-ZBFHGGJFSA-N 1 1 329.437 2.622 40 0 EFABMO C[C@@H]1C[N@H+](CCCCNC(=O)N(C)c2ccc(F)cc2)C[C@H](C)O1 ZINC000190775976 473390068 /nfs/dbraw/zinc/39/00/68/473390068.db2.gz WOVYAIWTKCATRS-GASCZTMLSA-N 1 1 337.439 2.861 40 0 EFABMO COC(=O)[C@@H]1C[C@@]23C=CC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000000338360 471350023 /nfs/dbraw/zinc/35/00/23/471350023.db2.gz ZHVZVHMDHAWEBG-NWRWZVFGSA-N 1 1 336.435 2.706 40 0 biogenic,in-vitro EFABMO C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cccc2ccccc21 ZINC000000422373 471358280 /nfs/dbraw/zinc/35/82/80/471358280.db2.gz MVALYVXIBGMQSI-SNVBAGLBSA-N 1 1 339.424 2.914 40 0 EFABMO COC(=O)[C@H]1C[C@@]23C=CC[N@H+]4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]43 ZINC000004016724 471457468 /nfs/dbraw/zinc/45/74/68/471457468.db2.gz JSLDLCGKZDUQSH-JAIPRUMJSA-N 1 1 336.435 2.562 40 0 EFABMO COc1cc2cc[nH+]c3c2c(c1OC)C[C@H]1C[C@@H](O)[C@@H](OC)C[C@@H]31 ZINC000005883214 471523791 /nfs/dbraw/zinc/52/37/91/471523791.db2.gz AEGFKXRLKDOCNT-MXYBEHONSA-N 1 1 329.396 2.678 40 0 EFABMO CC[NH+]1CCN(C(=O)c2ccc(OCc3c(C)noc3C)cc2)CC1 ZINC000006401952 471543366 /nfs/dbraw/zinc/54/33/66/471543366.db2.gz QWWYIKMJNGIRDX-UHFFFAOYSA-N 1 1 343.427 2.648 40 0 EFABMO Cc1ccccc1C[N@@H+](C)C[C@H](O)COCc1ccc2c(c1)OCO2 ZINC000006939105 471579825 /nfs/dbraw/zinc/57/98/25/471579825.db2.gz JALBKWKSWPPHMG-SFHVURJKSA-N 1 1 343.423 2.733 40 0 EFABMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008266800 471676646 /nfs/dbraw/zinc/67/66/46/471676646.db2.gz KNUMYPWPQPYLBT-IJEWVQPXSA-N 1 1 329.444 2.625 40 0 EFABMO O=C1NC[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)Oc2ccccc21 ZINC000012086789 471764064 /nfs/dbraw/zinc/76/40/64/471764064.db2.gz RBEJOPKINPIWEV-OAQYLSRUSA-N 1 1 336.435 2.886 40 0 EFABMO CO[C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@@H+]2C)C1 ZINC000012142307 471766325 /nfs/dbraw/zinc/76/63/25/471766325.db2.gz HVSGHHYDGVBSCP-ZJQBRPOHSA-N 1 1 335.473 2.978 40 0 EFABMO CO[C@H]1CCC[C@H](C(=O)Nc2nc3c(s2)[C@H]2CC[C@@H](C3)[N@H+]2C)C1 ZINC000012142307 471766331 /nfs/dbraw/zinc/76/63/31/471766331.db2.gz HVSGHHYDGVBSCP-ZJQBRPOHSA-N 1 1 335.473 2.978 40 0 EFABMO COc1ccc(C[N@@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)cc1OC ZINC000012187322 471768122 /nfs/dbraw/zinc/76/81/22/471768122.db2.gz LAAMITULMIWZRT-KRWDZBQOSA-N 1 1 345.443 2.619 40 0 EFABMO COc1ccc(C[N@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)cc1OC ZINC000012187322 471768126 /nfs/dbraw/zinc/76/81/26/471768126.db2.gz LAAMITULMIWZRT-KRWDZBQOSA-N 1 1 345.443 2.619 40 0 EFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000012240003 471769183 /nfs/dbraw/zinc/76/91/83/471769183.db2.gz ILTQQPNQYFSKCY-CYBMUJFWSA-N 1 1 344.484 2.626 40 0 EFABMO CC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000012932490 471807079 /nfs/dbraw/zinc/80/70/79/471807079.db2.gz CZEBNRJIOGUQGK-UHFFFAOYSA-N 1 1 325.412 2.535 40 0 EFABMO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)on1 ZINC000013226073 471822488 /nfs/dbraw/zinc/82/24/88/471822488.db2.gz NFIQCQLVOZRRFG-STQMWFEESA-N 1 1 334.445 2.717 40 0 EFABMO CC(C)c1ccc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000017067551 471954323 /nfs/dbraw/zinc/95/43/23/471954323.db2.gz DVFBSNHJPJFBLZ-IKGGRYGDSA-N 1 1 329.444 2.538 40 0 EFABMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC000017803906 471964228 /nfs/dbraw/zinc/96/42/28/471964228.db2.gz CACBTTLDUVKCOD-LJQANCHMSA-N 1 1 326.440 2.926 40 0 EFABMO O=c1cc(-c2cccnc2)nc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401701 471979556 /nfs/dbraw/zinc/97/95/56/471979556.db2.gz GTTRBJRRXJXZGM-MRXNPFEDSA-N 1 1 347.422 2.607 40 0 EFABMO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@H+](CC1CC1)C2 ZINC000019701566 471983615 /nfs/dbraw/zinc/98/36/15/471983615.db2.gz CLLPLSFSQNVTJX-CQSZACIVSA-N 1 1 328.391 2.507 40 0 EFABMO O=C(CCc1ccccc1O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024621925 472061267 /nfs/dbraw/zinc/06/12/67/472061267.db2.gz CXFXPNHHWMPARX-UHFFFAOYSA-N 1 1 338.451 2.712 40 0 EFABMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N(CCC(F)(F)F)CC1CC1 ZINC000084157324 472152767 /nfs/dbraw/zinc/15/27/67/472152767.db2.gz HILXCUYLIQNYJQ-KGLIPLIRSA-N 1 1 333.398 2.987 40 0 EFABMO CCOc1ccccc1OCCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000075644818 472175658 /nfs/dbraw/zinc/17/56/58/472175658.db2.gz KCTNKKUNXZGTLP-KRWDZBQOSA-N 1 1 348.487 2.649 40 0 EFABMO CCOc1ccccc1OCCN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000075644818 472175665 /nfs/dbraw/zinc/17/56/65/472175665.db2.gz KCTNKKUNXZGTLP-KRWDZBQOSA-N 1 1 348.487 2.649 40 0 EFABMO C[N@H+]1CCC[C@H](C(=O)N2CCC3(CCc4ccccc4O3)CC2)C1 ZINC000085557760 472257013 /nfs/dbraw/zinc/25/70/13/472257013.db2.gz HUYDRWKIFTXXBX-KRWDZBQOSA-N 1 1 328.456 2.715 40 0 EFABMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 ZINC000085616768 472260524 /nfs/dbraw/zinc/26/05/24/472260524.db2.gz ZWNWIHYBEYGTLD-ZDUSSCGKSA-N 1 1 325.840 2.569 40 0 EFABMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074860 472261686 /nfs/dbraw/zinc/26/16/86/472261686.db2.gz QQRXNEXTBRKGSH-RBUKOAKNSA-N 1 1 349.438 2.750 40 0 EFABMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1nnnn1-c1ccccc1)c1ccccc1 ZINC000076074860 472261697 /nfs/dbraw/zinc/26/16/97/472261697.db2.gz QQRXNEXTBRKGSH-RBUKOAKNSA-N 1 1 349.438 2.750 40 0 EFABMO O=C(/C=C/c1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029714497 472290522 /nfs/dbraw/zinc/29/05/22/472290522.db2.gz ATTNLYGCQUMMDT-ZHACJKMWSA-N 1 1 336.435 2.848 40 0 EFABMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000030499344 472335227 /nfs/dbraw/zinc/33/52/27/472335227.db2.gz WGSMBSIWNVFJKS-INIZCTEOSA-N 1 1 338.860 2.921 40 0 EFABMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC=CCC3)C2)cc(OC)c1 ZINC000087503478 472341693 /nfs/dbraw/zinc/34/16/93/472341693.db2.gz QPARMGIBNJQDHF-IRXDYDNUSA-N 1 1 344.455 2.751 40 0 EFABMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC=CCC3)C2)cc(OC)c1 ZINC000087503478 472341699 /nfs/dbraw/zinc/34/16/99/472341699.db2.gz QPARMGIBNJQDHF-IRXDYDNUSA-N 1 1 344.455 2.751 40 0 EFABMO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)cc1 ZINC000057392015 472425937 /nfs/dbraw/zinc/42/59/37/472425937.db2.gz HUYOOOOBAXBAMT-LBPRGKRZSA-N 1 1 334.366 2.940 40 0 EFABMO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)cc1 ZINC000057392017 472426186 /nfs/dbraw/zinc/42/61/86/472426186.db2.gz HUYOOOOBAXBAMT-GFCCVEGCSA-N 1 1 334.366 2.940 40 0 EFABMO Cc1ccc(F)cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441189 472437218 /nfs/dbraw/zinc/43/72/18/472437218.db2.gz DIQJGOVLBDMMOU-KBPBESRZSA-N 1 1 328.453 2.675 40 0 EFABMO C[N@H+](CCc1cccc(Br)c1)CC(C)(C)S(C)(=O)=O ZINC000097095382 472443596 /nfs/dbraw/zinc/44/35/96/472443596.db2.gz OPQIZXQGPULVJB-UHFFFAOYSA-N 1 1 348.306 2.747 40 0 EFABMO C[N@@H+](CCc1cccc(Br)c1)CC(C)(C)S(C)(=O)=O ZINC000097095382 472443601 /nfs/dbraw/zinc/44/36/01/472443601.db2.gz OPQIZXQGPULVJB-UHFFFAOYSA-N 1 1 348.306 2.747 40 0 EFABMO Cc1[nH+]ccn1-c1cncc(NCCCn2cnc3ccccc32)n1 ZINC000097102999 472446796 /nfs/dbraw/zinc/44/67/96/472446796.db2.gz FQWKLHYJGGGIAJ-UHFFFAOYSA-N 1 1 333.399 2.823 40 0 EFABMO c1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc2c1OCC2 ZINC000097103454 472447285 /nfs/dbraw/zinc/44/72/85/472447285.db2.gz SATJHKJSRFJXMF-INIZCTEOSA-N 1 1 341.411 2.987 40 0 EFABMO CCCc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000097104140 472448462 /nfs/dbraw/zinc/44/84/62/472448462.db2.gz LBITWRVBIAPGBJ-KRWDZBQOSA-N 1 1 331.460 2.825 40 0 EFABMO C[C@@H]1CCC[N@H+]1Cc1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000097104544 472448646 /nfs/dbraw/zinc/44/86/46/472448646.db2.gz VRTXQBOWIYCPIF-OAHLLOKOSA-N 1 1 342.443 2.553 40 0 EFABMO C[C@H]1CCC[N@H+]1Cc1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000097104545 472449128 /nfs/dbraw/zinc/44/91/28/472449128.db2.gz VRTXQBOWIYCPIF-HNNXBMFYSA-N 1 1 342.443 2.553 40 0 EFABMO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cnccn1 ZINC000089555742 472458267 /nfs/dbraw/zinc/45/82/67/472458267.db2.gz NAHLFUOVKINFRP-SJLPKXTDSA-N 1 1 338.455 2.751 40 0 EFABMO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2ccnn2C(C)C)cc1 ZINC000032863670 472474586 /nfs/dbraw/zinc/47/45/86/472474586.db2.gz HAYOMXWAOAUIBP-UHFFFAOYSA-N 1 1 330.432 2.722 40 0 EFABMO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2ccnn2C(C)C)cc1 ZINC000032863670 472474591 /nfs/dbraw/zinc/47/45/91/472474591.db2.gz HAYOMXWAOAUIBP-UHFFFAOYSA-N 1 1 330.432 2.722 40 0 EFABMO CCC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1cnn(C)c1 ZINC000077283615 472492493 /nfs/dbraw/zinc/49/24/93/472492493.db2.gz GSMFBGNZRZTDRA-UHFFFAOYSA-N 1 1 325.416 2.925 40 0 EFABMO Cc1ccc2ncc(CN3CC[NH+]([C@@H](C)c4ccccn4)CC3)n2c1 ZINC000155013086 472496565 /nfs/dbraw/zinc/49/65/65/472496565.db2.gz TWOXMYSTHLKTTE-KRWDZBQOSA-N 1 1 335.455 2.917 40 0 EFABMO CC[N@H+]1CCC[C@@](O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1 ZINC000046087868 472510522 /nfs/dbraw/zinc/51/05/22/472510522.db2.gz PFVZJFGECIWPMA-IBGZPJMESA-N 1 1 331.435 2.512 40 0 EFABMO Cc1cccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H](c3cn[nH]c3)C2)c1 ZINC000155150573 472512780 /nfs/dbraw/zinc/51/27/80/472512780.db2.gz ORTGUOSPOOMQFD-MRXNPFEDSA-N 1 1 347.484 2.762 40 0 EFABMO Cc1cccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H](c3cn[nH]c3)C2)c1 ZINC000155150573 472512785 /nfs/dbraw/zinc/51/27/85/472512785.db2.gz ORTGUOSPOOMQFD-MRXNPFEDSA-N 1 1 347.484 2.762 40 0 EFABMO Cc1nc2ccc(C)cn2c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071468775 472552344 /nfs/dbraw/zinc/55/23/44/472552344.db2.gz YRWZSGWMQUEZRK-UHFFFAOYSA-N 1 1 348.450 2.909 40 0 EFABMO COc1cccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)c1 ZINC000072227297 472634152 /nfs/dbraw/zinc/63/41/52/472634152.db2.gz MLOAGBAMFDTZOU-CABCVRRESA-N 1 1 347.212 2.873 40 0 EFABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2Cc2ccc(OC)c(OC)c2)cc1 ZINC000072227096 472634997 /nfs/dbraw/zinc/63/49/97/472634997.db2.gz BLOTWHWMIMUAQQ-RBUKOAKNSA-N 1 1 340.423 2.677 40 0 EFABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000072227955 472636238 /nfs/dbraw/zinc/63/62/38/472636238.db2.gz IGZUWZPIIAMLEA-HOTGVXAUSA-N 1 1 332.787 2.772 40 0 EFABMO Cc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1C[C@H]1CCCO1 ZINC000072324531 472661401 /nfs/dbraw/zinc/66/14/01/472661401.db2.gz GHPVEBCLVHQZML-FFZOFVMBSA-N 1 1 331.504 2.952 40 0 EFABMO O=C(/C=C/c1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227714 472673072 /nfs/dbraw/zinc/67/30/72/472673072.db2.gz LOZCPYBBYXDOQQ-MDZDMXLPSA-N 1 1 336.435 2.848 40 0 EFABMO CCn1ccnc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1=O ZINC000091013908 472675199 /nfs/dbraw/zinc/67/51/99/472675199.db2.gz FYHIKDKGUPDYFX-WBVHZDCISA-N 1 1 326.444 2.728 40 0 EFABMO O=C(Cc1ccccc1F)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047276321 472683649 /nfs/dbraw/zinc/68/36/49/472683649.db2.gz HUKKSXKFAHGEOX-UHFFFAOYSA-N 1 1 342.414 2.517 40 0 EFABMO Cc1cc(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n2ncnc2n1 ZINC000078338111 472698533 /nfs/dbraw/zinc/69/85/33/472698533.db2.gz QJLQQKPCMNBFNY-BBRMVZONSA-N 1 1 342.472 2.989 40 0 EFABMO C[C@@H](CNC(=O)N[C@@H](C)c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000048069259 472808991 /nfs/dbraw/zinc/80/89/91/472808991.db2.gz KEGBZQNPBPUPRN-HOTGVXAUSA-N 1 1 338.455 2.889 40 0 EFABMO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000091856735 472818191 /nfs/dbraw/zinc/81/81/91/472818191.db2.gz XYDVXPXUQXMDIL-GFCCVEGCSA-N 1 1 349.818 2.671 40 0 EFABMO Cc1cccc(Cl)c1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000133635264 472825689 /nfs/dbraw/zinc/82/56/89/472825689.db2.gz KCOLWFDGAQLRRE-CQSZACIVSA-N 1 1 337.851 2.834 40 0 EFABMO CC[C@@H]1c2ccccc2CCN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000073678758 472851426 /nfs/dbraw/zinc/85/14/26/472851426.db2.gz ZJVWMGYQYIOMGK-LJQANCHMSA-N 1 1 329.488 2.550 40 0 EFABMO CC(C)[C@H](CNC(=O)/C=C/c1ccc([C@@H]2C[C@@H]2C)o1)[NH+]1CCOCC1 ZINC000048301927 472852798 /nfs/dbraw/zinc/85/27/98/472852798.db2.gz FUPUAMLDLIVEPR-FSXXXACSSA-N 1 1 346.471 2.889 40 0 EFABMO COC(=O)c1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000048326315 472857115 /nfs/dbraw/zinc/85/71/15/472857115.db2.gz ORKKBJFDLPYQPL-KBPBESRZSA-N 1 1 333.432 2.715 40 0 EFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC1CCCCC1 ZINC000048340581 472860594 /nfs/dbraw/zinc/86/05/94/472860594.db2.gz IQDWYWYOAUFKTB-UHFFFAOYSA-N 1 1 331.460 2.651 40 0 EFABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)o1 ZINC000049170454 472933468 /nfs/dbraw/zinc/93/34/68/472933468.db2.gz VGYZJMKDFZDVNM-LBPRGKRZSA-N 1 1 345.353 2.738 40 0 biogenic,in-vitro EFABMO Fc1cccnc1N[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccnc1)C2 ZINC000107228481 472935132 /nfs/dbraw/zinc/93/51/32/472935132.db2.gz QPMYOHBLITWRLZ-VQIMIIECSA-N 1 1 342.418 2.851 40 0 EFABMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(=O)[nH]c2ccccc21 ZINC000065514722 472961328 /nfs/dbraw/zinc/96/13/28/472961328.db2.gz CESIPWNCKGHGNU-INIZCTEOSA-N 1 1 347.418 2.945 40 0 EFABMO Cc1ccc(CN2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000107746776 472979407 /nfs/dbraw/zinc/97/94/07/472979407.db2.gz GESCCDCBNGHGCD-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000107746776 472979414 /nfs/dbraw/zinc/97/94/14/472979414.db2.gz GESCCDCBNGHGCD-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1ccc(C[N@H+]2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)s1 ZINC000107746776 472979422 /nfs/dbraw/zinc/97/94/22/472979422.db2.gz GESCCDCBNGHGCD-MSOLQXFVSA-N 1 1 343.496 2.927 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000107747328 472980299 /nfs/dbraw/zinc/98/02/99/472980299.db2.gz DLSZXVVENKBMCO-SLFFLAALSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000107747328 472980307 /nfs/dbraw/zinc/98/03/07/472980307.db2.gz DLSZXVVENKBMCO-SLFFLAALSA-N 1 1 339.439 2.673 40 0 EFABMO c1ccc(OC[C@@H]2C[C@@H]3OCC[N@H+](Cc4ccncc4)[C@H]3C2)nc1 ZINC000107747618 472980441 /nfs/dbraw/zinc/98/04/41/472980441.db2.gz OYUIADDKLBWBPC-BZSNNMDCSA-N 1 1 325.412 2.535 40 0 EFABMO c1ccc(OC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4ccncc4)[C@H]3C2)nc1 ZINC000107747618 472980446 /nfs/dbraw/zinc/98/04/46/472980446.db2.gz OYUIADDKLBWBPC-BZSNNMDCSA-N 1 1 325.412 2.535 40 0 EFABMO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798350 472982545 /nfs/dbraw/zinc/98/25/45/472982545.db2.gz KCMRLOYMRIECIP-DOTOQJQBSA-N 1 1 327.453 2.532 40 0 EFABMO COc1ncccc1CN1CCC[C@]2(C[C@@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000107790580 472982674 /nfs/dbraw/zinc/98/26/74/472982674.db2.gz IOMFUNZZLXZSCQ-JXFKEZNVSA-N 1 1 345.487 2.556 40 0 EFABMO COc1ncccc1CN1CCC[C@]2(C[C@@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000107790580 472982680 /nfs/dbraw/zinc/98/26/80/472982680.db2.gz IOMFUNZZLXZSCQ-JXFKEZNVSA-N 1 1 345.487 2.556 40 0 EFABMO CC(C)(C)/C=C/C(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000074565900 473029162 /nfs/dbraw/zinc/02/91/62/473029162.db2.gz JIKHGUWLHXZFMG-ZNFPLGDCSA-N 1 1 343.471 2.925 40 0 EFABMO Cc1ncsc1C[N@H+]1CCC2(CC(NC(=O)c3ccncc3)C2)C1 ZINC000108531822 473035232 /nfs/dbraw/zinc/03/52/32/473035232.db2.gz YLHCQWHSHYHGPR-UHFFFAOYSA-N 1 1 342.468 2.631 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000108530801 473036036 /nfs/dbraw/zinc/03/60/36/473036036.db2.gz GHPUNOUHEONLGO-SJLPKXTDSA-N 1 1 349.425 2.988 40 0 EFABMO COc1cccc(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)n1 ZINC000108527069 473036461 /nfs/dbraw/zinc/03/64/61/473036461.db2.gz CAWRHIMPIGMXPX-YLJYHZDGSA-N 1 1 343.471 2.705 40 0 EFABMO C[C@@H](O)[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093988911 473167250 /nfs/dbraw/zinc/16/72/50/473167250.db2.gz HEAMQJPTMYQEJN-CHWSQXEVSA-N 1 1 328.250 2.921 40 0 EFABMO C[C@H](C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)[NH+]1CCSCC1 ZINC000110692917 473171245 /nfs/dbraw/zinc/17/12/45/473171245.db2.gz CKAAUSZZOWAVHS-NUJGCVRESA-N 1 1 348.512 2.708 40 0 EFABMO Cc1nc(-c2ccccc2NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)no1 ZINC000110686009 473171629 /nfs/dbraw/zinc/17/16/29/473171629.db2.gz NAZLVLZCJLFUDR-MLGOLLRUSA-N 1 1 343.431 2.849 40 0 EFABMO C[C@@H](C[N@H+](C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000110700676 473172821 /nfs/dbraw/zinc/17/28/21/473172821.db2.gz FKWLKNVXGATOIZ-FZMZJTMJSA-N 1 1 346.290 2.672 40 0 EFABMO C[C@@H](C[N@@H+](C)[C@H]1CCS(=O)(=O)C1)c1cccc(Br)c1 ZINC000110700676 473172828 /nfs/dbraw/zinc/17/28/28/473172828.db2.gz FKWLKNVXGATOIZ-FZMZJTMJSA-N 1 1 346.290 2.672 40 0 EFABMO C[C@@H]1C[C@@H](N(C)C(=O)COCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000096413965 473393395 /nfs/dbraw/zinc/39/33/95/473393395.db2.gz GSJZLFRBJYMDHX-APWZRJJASA-N 1 1 330.472 2.925 40 0 EFABMO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419724 473397770 /nfs/dbraw/zinc/39/77/70/473397770.db2.gz FJFLKEUPDJBBDT-KBPBESRZSA-N 1 1 337.489 2.776 40 0 EFABMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419724 473397776 /nfs/dbraw/zinc/39/77/76/473397776.db2.gz FJFLKEUPDJBBDT-KBPBESRZSA-N 1 1 337.489 2.776 40 0 EFABMO COc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000096423084 473401223 /nfs/dbraw/zinc/40/12/23/473401223.db2.gz VDYFGYFKLJHHTM-XJKSGUPXSA-N 1 1 345.468 2.965 40 0 EFABMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)n1cccn1 ZINC000096423082 473401563 /nfs/dbraw/zinc/40/15/63/473401563.db2.gz ZKCXIAUNGKQOHT-FMKPAKJESA-N 1 1 332.473 2.705 40 0 EFABMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000096428232 473408020 /nfs/dbraw/zinc/40/80/20/473408020.db2.gz SWBYJJDDYXSHNL-RHSMWYFYSA-N 1 1 347.484 2.586 40 0 EFABMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc3ncccc32)[C@H](C)C1 ZINC000096428231 473408185 /nfs/dbraw/zinc/40/81/85/473408185.db2.gz SWBYJJDDYXSHNL-PBHICJAKSA-N 1 1 347.484 2.586 40 0 EFABMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000096434837 473413779 /nfs/dbraw/zinc/41/37/79/473413779.db2.gz FDEFCIJSSJLEBP-CQSZACIVSA-N 1 1 327.432 2.882 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)N3CCS[C@@H](C)[C@@H]3C)CC2)[nH+]c1 ZINC000096440809 473419349 /nfs/dbraw/zinc/41/93/49/473419349.db2.gz JHNLMRNXWWKNRW-GJZGRUSLSA-N 1 1 348.516 2.894 40 0 EFABMO CCc1ncc(C[N@H+](C)CCn2cnc3ccsc3c2=O)s1 ZINC000096443339 473421607 /nfs/dbraw/zinc/42/16/07/473421607.db2.gz YJISYSFBNBJUKB-UHFFFAOYSA-N 1 1 334.470 2.609 40 0 EFABMO CCc1ncc(C[N@@H+](C)CCn2cnc3ccsc3c2=O)s1 ZINC000096443339 473421610 /nfs/dbraw/zinc/42/16/10/473421610.db2.gz YJISYSFBNBJUKB-UHFFFAOYSA-N 1 1 334.470 2.609 40 0 EFABMO COc1ccccc1C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000096455765 473431115 /nfs/dbraw/zinc/43/11/15/473431115.db2.gz YOLVNYIECGBMCN-UHFFFAOYSA-N 1 1 331.803 2.706 40 0 EFABMO COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000096461730 473433582 /nfs/dbraw/zinc/43/35/82/473433582.db2.gz NMEGGOYHCIZRTR-CABCVRRESA-N 1 1 335.448 2.635 40 0 EFABMO O=C(CCOC1CCOCC1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000096460671 473433810 /nfs/dbraw/zinc/43/38/10/473433810.db2.gz HLIYOVZPQAJTFZ-QGZVFWFLSA-N 1 1 344.455 2.583 40 0 EFABMO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1C(=O)N(C)C ZINC000096476007 473439180 /nfs/dbraw/zinc/43/91/80/473439180.db2.gz SNPZSEBPSANLSW-YOEHRIQHSA-N 1 1 346.475 2.501 40 0 EFABMO COC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485948 473444594 /nfs/dbraw/zinc/44/45/94/473444594.db2.gz FEPMXSHENAYPHZ-PVXIVEMSSA-N 1 1 342.842 2.871 40 0 EFABMO C[C@H](CCNC(=O)N1CCOCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000096490529 473446176 /nfs/dbraw/zinc/44/61/76/473446176.db2.gz KTNMVUBAXXZAAG-SJORKVTESA-N 1 1 333.476 2.717 40 0 EFABMO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1cccc(-n2cccn2)c1 ZINC000096491847 473447842 /nfs/dbraw/zinc/44/78/42/473447842.db2.gz LPVHEEJHDNDOAV-OAHLLOKOSA-N 1 1 345.410 2.699 40 0 EFABMO CCN(C[C@@H]1CC[N@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1)CC(F)(F)F ZINC000096493088 473448769 /nfs/dbraw/zinc/44/87/69/473448769.db2.gz MLRGYOLSODOXHV-XKQJLSEDSA-N 1 1 342.405 2.851 40 0 EFABMO C[C@@H]1C[C@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@H+]1C1CC1 ZINC000096494728 473450135 /nfs/dbraw/zinc/45/01/35/473450135.db2.gz OJWDBIMJXXMDKB-PWSUYJOCSA-N 1 1 341.377 2.871 40 0 EFABMO C[C@H]1C[C@@H](NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)C[N@H+]1C1CC1 ZINC000096494731 473450801 /nfs/dbraw/zinc/45/08/01/473450801.db2.gz OJWDBIMJXXMDKB-CMPLNLGQSA-N 1 1 341.377 2.871 40 0 EFABMO Cc1cnccc1CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000096500583 473452753 /nfs/dbraw/zinc/45/27/53/473452753.db2.gz GIYAOVZRINYMLA-WMZOPIPTSA-N 1 1 344.503 2.885 40 0 EFABMO C[N@@H+](CCCO)C1CCN(C(=O)NCC2(C)CCCCCC2)CC1 ZINC000096502894 473454818 /nfs/dbraw/zinc/45/48/18/473454818.db2.gz FABFDHQVDLZODH-UHFFFAOYSA-N 1 1 339.524 2.835 40 0 EFABMO COCC1=CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000185898701 473542547 /nfs/dbraw/zinc/54/25/47/473542547.db2.gz MRQQWDUZXXFIBF-INIZCTEOSA-N 1 1 338.810 2.863 40 0 EFABMO COCC1=CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000185898701 473542550 /nfs/dbraw/zinc/54/25/50/473542550.db2.gz MRQQWDUZXXFIBF-INIZCTEOSA-N 1 1 338.810 2.863 40 0 EFABMO Cc1cc(N2CCC[C@H](OC(=O)c3cnn(C(C)C)c3)C2)nc(C)[nH+]1 ZINC000191545987 473553202 /nfs/dbraw/zinc/55/32/02/473553202.db2.gz BPBRZTOGLXYYMV-INIZCTEOSA-N 1 1 343.431 2.697 40 0 EFABMO COc1cc2c(cc1C[NH2+][C@@H](c1nccn1C)C1CC1)O[C@H](C)C2 ZINC000127560302 473626037 /nfs/dbraw/zinc/62/60/37/473626037.db2.gz JMVJGYOMEVMVES-KZULUSFZSA-N 1 1 327.428 2.993 40 0 EFABMO CCCn1c(C)nnc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192145286 473636720 /nfs/dbraw/zinc/63/67/20/473636720.db2.gz UXLDIYTUBFXJAS-RDJZCZTQSA-N 1 1 336.386 2.895 40 0 EFABMO COC(=O)C1CCC(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000192446779 473680676 /nfs/dbraw/zinc/68/06/76/473680676.db2.gz WXFVBZIYUPHJIM-UHFFFAOYSA-N 1 1 332.444 2.663 40 0 EFABMO Cc1ccc(N2CCC[N@@H+](C[C@H](O)c3cccc(Cl)c3)CC2)nn1 ZINC000172841104 473691783 /nfs/dbraw/zinc/69/17/83/473691783.db2.gz UUBOMLXYRVQIGG-KRWDZBQOSA-N 1 1 346.862 2.684 40 0 EFABMO O=C1[C@H]([NH2+][C@@H](CCO)c2ccco2)CCCN1c1ccccc1F ZINC000192788084 473726408 /nfs/dbraw/zinc/72/64/08/473726408.db2.gz BNMQCYKVKFCWQO-LSDHHAIUSA-N 1 1 332.375 2.627 40 0 EFABMO Cc1ncc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c(C)n1 ZINC000180493042 473891324 /nfs/dbraw/zinc/89/13/24/473891324.db2.gz SSIABZYDSKDBKW-OAHLLOKOSA-N 1 1 338.455 2.830 40 0 EFABMO Cc1cc([C@H](C)NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000194929213 473977151 /nfs/dbraw/zinc/97/71/51/473977151.db2.gz NRTOBMNYZATDBB-ZNMIVQPWSA-N 1 1 337.464 2.708 40 0 EFABMO Cc1cc([C@H](C)NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)o1 ZINC000194929213 473977156 /nfs/dbraw/zinc/97/71/56/473977156.db2.gz NRTOBMNYZATDBB-ZNMIVQPWSA-N 1 1 337.464 2.708 40 0 EFABMO COc1cc(CNc2ccccc2C[NH+]2CCOCC2)ccc1O ZINC000194976241 473984903 /nfs/dbraw/zinc/98/49/03/473984903.db2.gz CQKAAQBLROEECQ-UHFFFAOYSA-N 1 1 328.412 2.845 40 0 EFABMO Cc1ccc(C)c([C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000195531470 474089913 /nfs/dbraw/zinc/08/99/13/474089913.db2.gz JULYSHLLHHODDO-MJGOQNOKSA-N 1 1 330.472 2.671 40 0 EFABMO Cc1cc(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)no1 ZINC000195539022 474091567 /nfs/dbraw/zinc/09/15/67/474091567.db2.gz NIQSTYVCHYHEIP-HUUCEWRRSA-N 1 1 347.415 2.883 40 0 EFABMO Cc1cc(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)no1 ZINC000195539022 474091584 /nfs/dbraw/zinc/09/15/84/474091584.db2.gz NIQSTYVCHYHEIP-HUUCEWRRSA-N 1 1 347.415 2.883 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(CCO)cc1 ZINC000195551659 474094125 /nfs/dbraw/zinc/09/41/25/474094125.db2.gz DTYQXVLCKIQUCK-UZLBHIALSA-N 1 1 325.456 2.939 40 0 EFABMO c1snnc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000195560530 474095853 /nfs/dbraw/zinc/09/58/53/474095853.db2.gz MOODXJKMMJJRAQ-RYQLBKOJSA-N 1 1 328.485 2.928 40 0 EFABMO COc1ccc(C[NH+]2CCN(C)CC2)cc1NC1CCC(OC)CC1 ZINC000195560441 474096198 /nfs/dbraw/zinc/09/61/98/474096198.db2.gz UMVYMFFODGCLDU-UHFFFAOYSA-N 1 1 347.503 2.812 40 0 EFABMO CC(=O)NC1CCC([NH2+]C[C@H]2C[C@H](C)N(Cc3ccccc3)C2)CC1 ZINC000195565171 474097576 /nfs/dbraw/zinc/09/75/76/474097576.db2.gz FFALTFDBBMBPCY-SMXDXGFJSA-N 1 1 343.515 2.934 40 0 EFABMO CCCCOCc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OCC ZINC000224730110 474199291 /nfs/dbraw/zinc/19/92/91/474199291.db2.gz BLOKDPUGNCTICL-UHFFFAOYSA-N 1 1 334.460 2.790 40 0 EFABMO Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc[nH]3)n2)c1 ZINC000225400265 474209179 /nfs/dbraw/zinc/20/91/79/474209179.db2.gz DZIRMKLPLPMKCS-INIZCTEOSA-N 1 1 327.363 2.512 40 0 biogenic,in-vitro EFABMO CC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C ZINC000225405971 474209399 /nfs/dbraw/zinc/20/93/99/474209399.db2.gz JLXZMJSNQAJDBR-JKSUJKDBSA-N 1 1 347.484 2.996 40 0 EFABMO Cc1nnsc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000225418147 474209901 /nfs/dbraw/zinc/20/99/01/474209901.db2.gz YZSFABCRSHPGQK-BBRMVZONSA-N 1 1 344.484 2.829 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)c1 ZINC000247822316 474213932 /nfs/dbraw/zinc/21/39/32/474213932.db2.gz DLSZXVVENKBMCO-ZCNNSNEGSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)c1 ZINC000247822316 474213939 /nfs/dbraw/zinc/21/39/39/474213939.db2.gz DLSZXVVENKBMCO-ZCNNSNEGSA-N 1 1 339.439 2.673 40 0 EFABMO Fc1ccc([C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2ncc[nH]2)cc1 ZINC000225473062 474214725 /nfs/dbraw/zinc/21/47/25/474214725.db2.gz WKUXYLDTZXOUIK-UONOGXRCSA-N 1 1 342.340 2.864 40 0 EFABMO CCc1[nH+]ccn1C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000225484697 474216083 /nfs/dbraw/zinc/21/60/83/474216083.db2.gz AIKRGHNEUXAOSW-LBPRGKRZSA-N 1 1 343.196 2.787 40 0 EFABMO O=C([C@H]1CCc2[nH]cnc2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510402 474219581 /nfs/dbraw/zinc/21/95/81/474219581.db2.gz LTHIDGVGALNVOZ-ZDUSSCGKSA-N 1 1 344.846 2.517 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000247906583 474223479 /nfs/dbraw/zinc/22/34/79/474223479.db2.gz XHAVUGDHTXUUPX-ZCNNSNEGSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000247906583 474223489 /nfs/dbraw/zinc/22/34/89/474223489.db2.gz XHAVUGDHTXUUPX-ZCNNSNEGSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000247906579 474224535 /nfs/dbraw/zinc/22/45/35/474224535.db2.gz XHAVUGDHTXUUPX-UFYCRDLUSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000247906579 474224541 /nfs/dbraw/zinc/22/45/41/474224541.db2.gz XHAVUGDHTXUUPX-UFYCRDLUSA-N 1 1 339.439 2.673 40 0 EFABMO C[N@H+]1CCc2c(cccc2NC(=O)CC2CCC3(CC2)OCCO3)C1 ZINC000225561201 474225245 /nfs/dbraw/zinc/22/52/45/474225245.db2.gz WQTYBFDYDSLSCI-UHFFFAOYSA-N 1 1 344.455 2.936 40 0 EFABMO CC(C)=CCNC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000225625543 474230151 /nfs/dbraw/zinc/23/01/51/474230151.db2.gz BPCUOJDYFQBHKC-UHFFFAOYSA-N 1 1 336.505 2.929 40 0 EFABMO CN(C)C(=O)COCC[C@@H]1C[N@H+](Cc2cccs2)Cc2cccn21 ZINC000247944018 474230463 /nfs/dbraw/zinc/23/04/63/474230463.db2.gz AOLDRZRRRRHORP-MRXNPFEDSA-N 1 1 347.484 2.601 40 0 EFABMO CN(C)C(=O)COCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2cccn21 ZINC000247944018 474230472 /nfs/dbraw/zinc/23/04/72/474230472.db2.gz AOLDRZRRRRHORP-MRXNPFEDSA-N 1 1 347.484 2.601 40 0 EFABMO C[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000247961333 474233999 /nfs/dbraw/zinc/23/39/99/474233999.db2.gz FFCIMXGUOLIPDH-KRWDZBQOSA-N 1 1 348.512 2.959 40 0 EFABMO O=C(c1cc(C2CC2)on1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225685365 474235691 /nfs/dbraw/zinc/23/56/91/474235691.db2.gz AVQSFNHVWZTJBO-QGZVFWFLSA-N 1 1 337.423 2.825 40 0 EFABMO CCSCCCNC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000225693771 474237441 /nfs/dbraw/zinc/23/74/41/474237441.db2.gz FPGAOCBZPWHUHB-UHFFFAOYSA-N 1 1 336.505 2.801 40 0 EFABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCOCC1 ZINC000188956436 474245692 /nfs/dbraw/zinc/24/56/92/474245692.db2.gz FQVLIPUACBLBHG-UHFFFAOYSA-N 1 1 340.826 2.550 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cc1cccnc1 ZINC000248025335 474246880 /nfs/dbraw/zinc/24/68/80/474246880.db2.gz GNLSMPCFSDFWLS-YLJYHZDGSA-N 1 1 337.467 2.993 40 0 EFABMO COC[C@H]1C[N@H+](CC(C)C)CC12CCN(Cc1cc(C)nn1C)CC2 ZINC000248032238 474248075 /nfs/dbraw/zinc/24/80/75/474248075.db2.gz LNSFBUVWMYTKHY-GOSISDBHSA-N 1 1 348.535 2.545 40 0 EFABMO COC[C@H]1C[N@@H+](CC(C)C)CC12CCN(Cc1cc(C)nn1C)CC2 ZINC000248032238 474248081 /nfs/dbraw/zinc/24/80/81/474248081.db2.gz LNSFBUVWMYTKHY-GOSISDBHSA-N 1 1 348.535 2.545 40 0 EFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000248085874 474258393 /nfs/dbraw/zinc/25/83/93/474258393.db2.gz BIKJXHBBZGMCIA-HKUYNNGSSA-N 1 1 340.471 2.966 40 0 EFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000248085874 474258399 /nfs/dbraw/zinc/25/83/99/474258399.db2.gz BIKJXHBBZGMCIA-HKUYNNGSSA-N 1 1 340.471 2.966 40 0 EFABMO CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184463 474330375 /nfs/dbraw/zinc/33/03/75/474330375.db2.gz FJYKTJMXOBZDOY-WBMJQRKESA-N 1 1 344.377 2.646 40 0 EFABMO CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184463 474330380 /nfs/dbraw/zinc/33/03/80/474330380.db2.gz FJYKTJMXOBZDOY-WBMJQRKESA-N 1 1 344.377 2.646 40 0 EFABMO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1 ZINC000283221890 474343306 /nfs/dbraw/zinc/34/33/06/474343306.db2.gz SVGWSHQWTWDSEB-LPHOPBHVSA-N 1 1 340.471 2.970 40 0 EFABMO CCn1nccc1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248578987 474365130 /nfs/dbraw/zinc/36/51/30/474365130.db2.gz FCAAIRZFWYLOPY-CWRNSKLLSA-N 1 1 334.464 2.638 40 0 EFABMO Cn1nccc1CC[N@H+](C)Cc1cc(F)ccc1Br ZINC000239672783 474547594 /nfs/dbraw/zinc/54/75/94/474547594.db2.gz BVGMWHBFOIPGAQ-UHFFFAOYSA-N 1 1 326.213 2.996 40 0 EFABMO Cn1nccc1CC[N@@H+](C)Cc1cc(F)ccc1Br ZINC000239672783 474547600 /nfs/dbraw/zinc/54/76/00/474547600.db2.gz BVGMWHBFOIPGAQ-UHFFFAOYSA-N 1 1 326.213 2.996 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)CSC(C)(C)C ZINC000245281164 474572561 /nfs/dbraw/zinc/57/25/61/474572561.db2.gz AAFSRAINGCPTQI-GDBMZVCRSA-N 1 1 335.517 2.940 40 0 EFABMO C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000245339364 474574814 /nfs/dbraw/zinc/57/48/14/474574814.db2.gz SGEJTEPXQJUNIM-JTDSTZFVSA-N 1 1 338.455 2.962 40 0 EFABMO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1C ZINC000245339416 474575011 /nfs/dbraw/zinc/57/50/11/474575011.db2.gz SOOXHWNJAZNHBM-UAGQMJEPSA-N 1 1 329.444 2.952 40 0 EFABMO O=C(N[C@@H]1CCCOc2ccccc21)c1cc(C[NH+]2CCCC2)on1 ZINC000291625878 474634220 /nfs/dbraw/zinc/63/42/20/474634220.db2.gz FXBMAOXEOUIDSV-MRXNPFEDSA-N 1 1 341.411 2.914 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc(F)c1 ZINC000252477799 474663457 /nfs/dbraw/zinc/66/34/57/474663457.db2.gz VRAUXVFFZSRMEU-RDTXWAMCSA-N 1 1 327.403 2.861 40 0 EFABMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCS(=O)(=O)C2)C1(CC)CC ZINC000252490341 474675204 /nfs/dbraw/zinc/67/52/04/474675204.db2.gz KPYJNTFBBJAAGH-OWCLPIDISA-N 1 1 331.522 2.727 40 0 EFABMO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1c(C)nn(C)c1C ZINC000252488491 474675925 /nfs/dbraw/zinc/67/59/25/474675925.db2.gz ITCFEBISMOOIJO-LLVKDONJSA-N 1 1 333.432 2.914 40 0 EFABMO c1ccc(N2CC[NH+](C3CCN(C[C@@H]4CCCCO4)CC3)CC2)cc1 ZINC000252499124 474681665 /nfs/dbraw/zinc/68/16/65/474681665.db2.gz RVTPMKXABCTDMO-NRFANRHFSA-N 1 1 343.515 2.842 40 0 EFABMO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000252505148 474683071 /nfs/dbraw/zinc/68/30/71/474683071.db2.gz VPSCAFLRRKQLIS-MRXNPFEDSA-N 1 1 343.427 2.753 40 0 EFABMO C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000252539002 474695818 /nfs/dbraw/zinc/69/58/18/474695818.db2.gz NQUJIBFSHIZXMR-VQIMIIECSA-N 1 1 345.487 2.585 40 0 EFABMO CSc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000253418383 474745307 /nfs/dbraw/zinc/74/53/07/474745307.db2.gz QEJUYKWQNZETNN-KGLIPLIRSA-N 1 1 337.489 2.636 40 0 EFABMO CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000253428510 474754743 /nfs/dbraw/zinc/75/47/43/474754743.db2.gz LDPQJFGTOAESDK-SUMWQHHRSA-N 1 1 334.441 2.747 40 0 EFABMO CCc1nnc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)o1 ZINC000253432029 474757087 /nfs/dbraw/zinc/75/70/87/474757087.db2.gz IMCYKCZMLKXJMX-VIFPVBQESA-N 1 1 329.326 2.754 40 0 EFABMO CCc1nnc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)o1 ZINC000253432029 474757090 /nfs/dbraw/zinc/75/70/90/474757090.db2.gz IMCYKCZMLKXJMX-VIFPVBQESA-N 1 1 329.326 2.754 40 0 EFABMO CO[C@@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc(F)cc1 ZINC000253433292 474758718 /nfs/dbraw/zinc/75/87/18/474758718.db2.gz VGQJGNGGPDYWGW-KRWDZBQOSA-N 1 1 346.406 2.826 40 0 EFABMO COC[C@H]1C[N@@H+](C)CC12CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000306125032 474807230 /nfs/dbraw/zinc/80/72/30/474807230.db2.gz CFBVFWHQDIGFQJ-LLYBFZRZSA-N 1 1 334.485 2.578 40 0 EFABMO c1cc2n(n1)C[C@H](CCNc1ncccn1)C[N@@H+](C1CCCC1)C2 ZINC000306127031 474807523 /nfs/dbraw/zinc/80/75/23/474807523.db2.gz FLYJZDDVAMRGQL-OAHLLOKOSA-N 1 1 326.448 2.550 40 0 EFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COCC)CC[N@@H+]2C ZINC000306128554 474807552 /nfs/dbraw/zinc/80/75/52/474807552.db2.gz HDZSSJPPVNIFDY-HNNXBMFYSA-N 1 1 349.475 2.508 40 0 EFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COCC)CC[N@H+]2C ZINC000306128554 474807560 /nfs/dbraw/zinc/80/75/60/474807560.db2.gz HDZSSJPPVNIFDY-HNNXBMFYSA-N 1 1 349.475 2.508 40 0 EFABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000306124987 474808127 /nfs/dbraw/zinc/80/81/27/474808127.db2.gz CDWJMUQTSJVFBD-OAHLLOKOSA-N 1 1 341.455 2.741 40 0 EFABMO CC(C)n1cnc([C@H]2C[N@@H+](CC3CC3)C[C@]23CCCN(C)C3=O)c1 ZINC000306131243 474809526 /nfs/dbraw/zinc/80/95/26/474809526.db2.gz JZDZIEJHHXALBA-VQIMIIECSA-N 1 1 330.476 2.512 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2N1Cc1cccnc1 ZINC000306134084 474810141 /nfs/dbraw/zinc/81/01/41/474810141.db2.gz NDDHCSFNNVCSEV-OALUTQOASA-N 1 1 348.406 2.558 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccco3)C[C@@H]2N1Cc1cccnc1 ZINC000306134084 474810147 /nfs/dbraw/zinc/81/01/47/474810147.db2.gz NDDHCSFNNVCSEV-OALUTQOASA-N 1 1 348.406 2.558 40 0 EFABMO Cc1cnc(N2CC[C@@H](F)[C@@]3(CC[N@@H+](Cc4ccco4)C3)C2)nc1 ZINC000306143172 474810952 /nfs/dbraw/zinc/81/09/52/474810952.db2.gz XUYSOBWSOWHXHL-SJLPKXTDSA-N 1 1 330.407 2.819 40 0 EFABMO CCCCC(=O)N1CC2(C1)C[C@H](COCc1ccncc1)CC[N@H+]2C ZINC000306139852 474812104 /nfs/dbraw/zinc/81/21/04/474812104.db2.gz UCKTUEZTZWINLS-GOSISDBHSA-N 1 1 345.487 2.711 40 0 EFABMO Cn1nccc1C[N@H+]1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257285500 474932270 /nfs/dbraw/zinc/93/22/70/474932270.db2.gz PHKTZJGREACKBO-OAHLLOKOSA-N 1 1 325.412 2.857 40 0 EFABMO c1ccc(CO[C@H]2C[N@@H+](Cc3cncnc3)CC[C@@]23CCCO3)cc1 ZINC000257288359 474933966 /nfs/dbraw/zinc/93/39/66/474933966.db2.gz PTXPQXXOFRGEOE-PMACEKPBSA-N 1 1 339.439 2.817 40 0 EFABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2ccnn2C(C)C)ccn1 ZINC000257291001 474934390 /nfs/dbraw/zinc/93/43/90/474934390.db2.gz QFEAOAAKPUSVQV-IBGZPJMESA-N 1 1 341.459 2.832 40 0 EFABMO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)ccn1 ZINC000257291001 474934399 /nfs/dbraw/zinc/93/43/99/474934399.db2.gz QFEAOAAKPUSVQV-IBGZPJMESA-N 1 1 341.459 2.832 40 0 EFABMO c1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257288065 474934659 /nfs/dbraw/zinc/93/46/59/474934659.db2.gz PSQPAQNISSTCBF-LBPRGKRZSA-N 1 1 326.429 2.703 40 0 EFABMO c1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257288065 474934664 /nfs/dbraw/zinc/93/46/64/474934664.db2.gz PSQPAQNISSTCBF-LBPRGKRZSA-N 1 1 326.429 2.703 40 0 EFABMO Cc1cnn(C)c1C[NH+]1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257296450 474937506 /nfs/dbraw/zinc/93/75/06/474937506.db2.gz RCWUIBQBZPWKPL-QGZVFWFLSA-N 1 1 329.419 2.701 40 0 EFABMO Cn1cncc1-c1cncc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000257300763 474941381 /nfs/dbraw/zinc/94/13/81/474941381.db2.gz RVPCCTOOHPQWFG-MRXNPFEDSA-N 1 1 334.427 2.652 40 0 EFABMO Cc1cc(C)nc([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257308581 474944939 /nfs/dbraw/zinc/94/49/39/474944939.db2.gz TXGWDAMUVIIPIR-MRXNPFEDSA-N 1 1 325.412 2.854 40 0 EFABMO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CC[N@H+](C)Cc1ccccn1 ZINC000257311274 474947950 /nfs/dbraw/zinc/94/79/50/474947950.db2.gz UITHUOBFJMLWII-QGZVFWFLSA-N 1 1 341.459 2.689 40 0 EFABMO CC(C)Oc1cccc(C[N@H+]2CCOC[C@H](Cc3cnccn3)C2)c1 ZINC000257311075 474948449 /nfs/dbraw/zinc/94/84/49/474948449.db2.gz UHUYMNCHKCIINF-GOSISDBHSA-N 1 1 341.455 2.955 40 0 EFABMO CN(C)c1cc(CC[C@@H]2CN(Cc3ncccc3F)CCO2)cc[nH+]1 ZINC000257315692 474948786 /nfs/dbraw/zinc/94/87/86/474948786.db2.gz VCLASEAIELVKRK-MRXNPFEDSA-N 1 1 344.434 2.515 40 0 EFABMO CCOc1ccc(C[N@H+]2CC[C@@H](c3nc(C)cn3C)C2)cc1CO ZINC000257315669 474949200 /nfs/dbraw/zinc/94/92/00/474949200.db2.gz VCIOAGBTXLXHJT-MRXNPFEDSA-N 1 1 329.444 2.609 40 0 EFABMO CN(C)c1cc(CC[C@H]2CN(Cc3ncccc3F)CCO2)cc[nH+]1 ZINC000257315691 474949794 /nfs/dbraw/zinc/94/97/94/474949794.db2.gz VCLASEAIELVKRK-INIZCTEOSA-N 1 1 344.434 2.515 40 0 EFABMO Cc1cc(N)cc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)[nH+]1 ZINC000257323549 474952459 /nfs/dbraw/zinc/95/24/59/474952459.db2.gz WKUZFSSSPTYREO-LJQANCHMSA-N 1 1 349.438 2.936 40 0 EFABMO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3[nH]nc4ccccc43)C2)[nH+]1 ZINC000257321869 474953709 /nfs/dbraw/zinc/95/37/09/474953709.db2.gz WDPMSVXSQCTPCT-CQSZACIVSA-N 1 1 349.438 2.962 40 0 EFABMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)CC2CC2)C1 ZINC000257325591 474955706 /nfs/dbraw/zinc/95/57/06/474955706.db2.gz WTQJLVJMPGEPMB-QZTJIDSGSA-N 1 1 346.471 2.879 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257326501 474956113 /nfs/dbraw/zinc/95/61/13/474956113.db2.gz WXJZGMSIMJCMOL-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)CC2CCCC2)C1 ZINC000257325327 474956382 /nfs/dbraw/zinc/95/63/82/474956382.db2.gz WSNATRCTBUOTAE-HXUWFJFHSA-N 1 1 348.462 2.801 40 0 EFABMO Cc1cncc([C@@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257328647 474957018 /nfs/dbraw/zinc/95/70/18/474957018.db2.gz XGOMGUTUVYRJJG-QGZVFWFLSA-N 1 1 327.428 2.536 40 0 EFABMO CO[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC[C@@]12CCCO2 ZINC000257336731 474961229 /nfs/dbraw/zinc/96/12/29/474961229.db2.gz YPTPZNLVGXVMOQ-HKUYNNGSSA-N 1 1 327.428 2.847 40 0 EFABMO Cc1ccccc1C[N@@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257336241 474961947 /nfs/dbraw/zinc/96/19/47/474961947.db2.gz YNQQFAVMDCEKAQ-OAHLLOKOSA-N 1 1 347.484 2.576 40 0 EFABMO Cc1ccccc1C[N@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257336241 474961954 /nfs/dbraw/zinc/96/19/54/474961954.db2.gz YNQQFAVMDCEKAQ-OAHLLOKOSA-N 1 1 347.484 2.576 40 0 EFABMO Cc1ncc(CNC(=O)c2cc(F)ccc2F)c([C@H]2CCC[N@@H+]2C)n1 ZINC000257335886 474962228 /nfs/dbraw/zinc/96/22/28/474962228.db2.gz YMHKANNPRVRLAT-MRXNPFEDSA-N 1 1 346.381 2.760 40 0 EFABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc(F)c1 ZINC000261675796 475019819 /nfs/dbraw/zinc/01/98/19/475019819.db2.gz BOVBSHOPYZBAQZ-KRWDZBQOSA-N 1 1 328.387 2.550 40 0 EFABMO C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000332920796 475782304 /nfs/dbraw/zinc/78/23/04/475782304.db2.gz JVJPDIGGWGPURO-HDMKZQKVSA-N 1 1 343.471 2.775 40 0 EFABMO C[C@@H](OC1CCCCCC1)C(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000333336235 475908633 /nfs/dbraw/zinc/90/86/33/475908633.db2.gz XDDZPCLLXYKNRY-QAPCUYQASA-N 1 1 331.460 2.682 40 0 EFABMO O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC(n2cccn2)CC1 ZINC000363347634 476661009 /nfs/dbraw/zinc/66/10/09/476661009.db2.gz KHWZCAUIKNQMQD-MRXNPFEDSA-N 1 1 330.476 2.701 40 0 EFABMO C[C@@H]1C[C@@H](NC(=O)Cc2cc(Br)ccc2F)CC[N@H+]1C ZINC000390835085 476806337 /nfs/dbraw/zinc/80/63/37/476806337.db2.gz CGRYFZYUAWPFHG-MFKMUULPSA-N 1 1 343.240 2.730 40 0 EFABMO C[NH+](C)CC(=O)Nc1cc(Br)ccc1Br ZINC000409386655 476982942 /nfs/dbraw/zinc/98/29/42/476982942.db2.gz WEXWORPLCHSSGG-UHFFFAOYSA-N 1 1 336.027 2.712 40 0 EFABMO C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289648 479021324 /nfs/dbraw/zinc/02/13/24/479021324.db2.gz APWHWYPDMIEZIH-XYJFISCASA-N 1 1 330.453 2.674 40 0 biogenic,in-vitro EFABMO C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000514289648 479021329 /nfs/dbraw/zinc/02/13/29/479021329.db2.gz APWHWYPDMIEZIH-XYJFISCASA-N 1 1 330.453 2.674 40 0 biogenic,in-vitro EFABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290144 479022599 /nfs/dbraw/zinc/02/25/99/479022599.db2.gz SSEJNWIRLBAMFT-MJGOQNOKSA-N 1 1 337.423 2.674 40 0 biogenic,in-vitro EFABMO C[C@@H]1c2nnc(COc3ncccc3F)n2CC[N@@H+]1C1CCCC1 ZINC000585096698 479280141 /nfs/dbraw/zinc/28/01/41/479280141.db2.gz APXPQMKPGGAUJG-GFCCVEGCSA-N 1 1 331.395 2.710 40 0 EFABMO C[C@@H]1c2nnc(COc3ncccc3F)n2CC[N@H+]1C1CCCC1 ZINC000585096698 479280144 /nfs/dbraw/zinc/28/01/44/479280144.db2.gz APXPQMKPGGAUJG-GFCCVEGCSA-N 1 1 331.395 2.710 40 0 EFABMO C[C@@H]1Cc2nnc(COc3ncccc3F)n2CC[N@H+]1C1CCCC1 ZINC000585098176 479281527 /nfs/dbraw/zinc/28/15/27/479281527.db2.gz QTRRBFIFGPDMAC-CYBMUJFWSA-N 1 1 345.422 2.580 40 0 EFABMO Cc1ncc(C[N@@H+]2CC[C@@]23CCCN(C(=O)C2(F)CCC2)C3)s1 ZINC000585102290 479283313 /nfs/dbraw/zinc/28/33/13/479283313.db2.gz WFNYUCDZPCIZOP-MRXNPFEDSA-N 1 1 337.464 2.911 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@@]23CCCN(C(=O)C2(F)CCC2)C3)s1 ZINC000585102290 479283319 /nfs/dbraw/zinc/28/33/19/479283319.db2.gz WFNYUCDZPCIZOP-MRXNPFEDSA-N 1 1 337.464 2.911 40 0 EFABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3nccs3)CC2)N1C[C@@H]1CCCO1 ZINC000585099863 479283512 /nfs/dbraw/zinc/28/35/12/479283512.db2.gz MDVQNOFWLJKEDA-MAUKXSAKSA-N 1 1 349.500 2.669 40 0 EFABMO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585103727 479284519 /nfs/dbraw/zinc/28/45/19/479284519.db2.gz FNYXVIYOFPNUEI-FXAWDEMLSA-N 1 1 330.472 2.955 40 0 EFABMO Cc1occc1C(=O)N1CCC2(C[N@@H+](C)C[C@H]2COCC2CC2)CC1 ZINC000585102746 479284660 /nfs/dbraw/zinc/28/46/60/479284660.db2.gz CVYMUWREUANNJV-KRWDZBQOSA-N 1 1 346.471 2.799 40 0 EFABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(Cc1ccco1)C2 ZINC000585102966 479284749 /nfs/dbraw/zinc/28/47/49/479284749.db2.gz MNZPYIPDUMCBCG-QGZVFWFLSA-N 1 1 341.455 2.788 40 0 EFABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(Cc1ccco1)C2 ZINC000585102964 479285117 /nfs/dbraw/zinc/28/51/17/479285117.db2.gz MNZPYIPDUMCBCG-KRWDZBQOSA-N 1 1 341.455 2.788 40 0 EFABMO c1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)nc1 ZINC000585105321 479285615 /nfs/dbraw/zinc/28/56/15/479285615.db2.gz TXFMFJHUUCGXSY-QGZVFWFLSA-N 1 1 327.453 2.753 40 0 EFABMO Cc1nc(C[NH+]2C[C@H]3CN(C(=O)c4ccccc4C)C[C@@H]3C2)cs1 ZINC000585107605 479287877 /nfs/dbraw/zinc/28/78/77/479287877.db2.gz QUQORQJXSIRDMY-HOTGVXAUSA-N 1 1 341.480 2.964 40 0 EFABMO O[C@@]1(COc2cccc(F)c2)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000585268843 479302849 /nfs/dbraw/zinc/30/28/49/479302849.db2.gz ARAXMDIHSRFXRQ-KRWDZBQOSA-N 1 1 336.794 2.890 40 0 EFABMO O[C@@]1(COc2cccc(F)c2)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000585268843 479302856 /nfs/dbraw/zinc/30/28/56/479302856.db2.gz ARAXMDIHSRFXRQ-KRWDZBQOSA-N 1 1 336.794 2.890 40 0 EFABMO C[N@H+](Cc1ccc(OCCF)cc1)C[C@H](O)COc1ccccc1 ZINC000585270301 479302916 /nfs/dbraw/zinc/30/29/16/479302916.db2.gz TZOQMHRKVDTDIY-KRWDZBQOSA-N 1 1 333.403 2.907 40 0 EFABMO CO[C@H]1CCC[N@H+](Cc2ncccc2F)[C@H]1CCC(=O)N1CCCC1 ZINC000585269487 479303050 /nfs/dbraw/zinc/30/30/50/479303050.db2.gz WJIYPKJEQJAOAH-ROUUACIJSA-N 1 1 349.450 2.603 40 0 EFABMO CO[C@H]1CCC[N@@H+](Cc2ncccc2F)[C@H]1CCC(=O)N1CCCC1 ZINC000585269487 479303055 /nfs/dbraw/zinc/30/30/55/479303055.db2.gz WJIYPKJEQJAOAH-ROUUACIJSA-N 1 1 349.450 2.603 40 0 EFABMO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)[C@H]1Cc1ccc(F)cc1 ZINC000585269499 479303932 /nfs/dbraw/zinc/30/39/32/479303932.db2.gz XDDYOFOZTLXWGV-PMACEKPBSA-N 1 1 341.430 2.933 40 0 EFABMO O[C@@]1(COc2cccc(F)c2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585275351 479305214 /nfs/dbraw/zinc/30/52/14/479305214.db2.gz CWGAOKCSBHSXAD-LJQANCHMSA-N 1 1 337.435 2.991 40 0 EFABMO CO[C@]1(COc2cccc(F)c2)CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000585276290 479305883 /nfs/dbraw/zinc/30/58/83/479305883.db2.gz HVRCJPDGKOAQDU-GOSISDBHSA-N 1 1 333.407 2.836 40 0 EFABMO CNC(=O)CC[C@]1(OC)CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000585278225 479306765 /nfs/dbraw/zinc/30/67/65/479306765.db2.gz NNZFGRYMMNCKQY-HXUWFJFHSA-N 1 1 341.455 2.742 40 0 EFABMO O[C@]1(COc2cc(F)cc(F)c2)COCC[N@H+](C2CCCCC2)C1 ZINC000585281865 479307795 /nfs/dbraw/zinc/30/77/95/479307795.db2.gz CZFSZWQBBBMFKU-SFHVURJKSA-N 1 1 341.398 2.740 40 0 EFABMO Cc1ccc(C)c(OC[C@@]2(O)C[N@H+](C3CCCC3)CC[C@@H]2O)c1C ZINC000585288089 479309616 /nfs/dbraw/zinc/30/96/16/479309616.db2.gz VOBVYXVWVWTPEL-ICSRJNTNSA-N 1 1 333.472 2.731 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000585293223 479310941 /nfs/dbraw/zinc/31/09/41/479310941.db2.gz SGTQILOGGYRKDU-ZTFGCOKTSA-N 1 1 335.806 2.800 40 0 EFABMO COc1cc(C)ccc1C[N@H+]1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585295112 479311073 /nfs/dbraw/zinc/31/10/73/479311073.db2.gz MBWOZDIIXHNGBJ-SFHLNBCPSA-N 1 1 341.451 2.633 40 0 EFABMO Cc1nc(NC[C@@H]2CCC[N@H+](C(C)C)C2)cc(-c2cccnc2)n1 ZINC000599710199 479402795 /nfs/dbraw/zinc/40/27/95/479402795.db2.gz AZCKGAMUXPGCIM-INIZCTEOSA-N 1 1 325.460 3.379 40 0 EFABMO C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCc2ccccc2)cn1 ZINC000257244654 536053812 /nfs/dbraw/zinc/05/38/12/536053812.db2.gz IMGACUPHYZFNRA-UHFFFAOYSA-N 1 1 334.423 2.864 40 0 EFABMO C[NH+](C)Cc1cncc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)n1 ZINC000257268618 536060453 /nfs/dbraw/zinc/06/04/53/536060453.db2.gz MMLXWCMMBUCBGU-GNISGLHKSA-N 1 1 336.439 2.915 40 0 EFABMO CN1C(=O)CO[C@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000257256469 536314885 /nfs/dbraw/zinc/31/48/85/536314885.db2.gz KLQBTBQIEGCFBA-GJZGRUSLSA-N 1 1 342.361 2.527 40 0 EFABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1c[nH]c(=O)[nH]1 ZINC000257244073 536359444 /nfs/dbraw/zinc/35/94/44/536359444.db2.gz IJSXKEVZEHZXEX-YESZJQIVSA-N 1 1 340.427 2.555 40 0 EFABMO C[N@@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)C1=NC(=O)NC1 ZINC000257244073 536359447 /nfs/dbraw/zinc/35/94/47/536359447.db2.gz IJSXKEVZEHZXEX-YESZJQIVSA-N 1 1 340.427 2.555 40 0 EFABMO C[N@H+]1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)C1=NC(=O)NC1 ZINC000257244073 536359449 /nfs/dbraw/zinc/35/94/49/536359449.db2.gz IJSXKEVZEHZXEX-YESZJQIVSA-N 1 1 340.427 2.555 40 0 EFABMO C[N@@H+]1CCN(C(=O)CCc2cc(Cl)no2)C[C@@H]1c1ccccc1 ZINC000257277561 536403877 /nfs/dbraw/zinc/40/38/77/536403877.db2.gz NYLFDLGROHEFQK-OAHLLOKOSA-N 1 1 333.819 2.776 40 0 EFABMO C[N@H+]1CCN(C(=O)CCc2cc(Cl)no2)C[C@@H]1c1ccccc1 ZINC000257277561 536403880 /nfs/dbraw/zinc/40/38/80/536403880.db2.gz NYLFDLGROHEFQK-OAHLLOKOSA-N 1 1 333.819 2.776 40 0 EFABMO COc1cc(C)ccc1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257249113 536670172 /nfs/dbraw/zinc/67/01/72/536670172.db2.gz JGWJVIQLUGOQBS-ICSRJNTNSA-N 1 1 346.471 2.858 40 0 EFABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@]12CCCO2 ZINC000257275736 536683064 /nfs/dbraw/zinc/68/30/64/536683064.db2.gz NQRBUZXCYQQVTN-WBVHZDCISA-N 1 1 338.835 2.548 40 0 EFABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@@]12CCCO2 ZINC000257275736 536683070 /nfs/dbraw/zinc/68/30/70/536683070.db2.gz NQRBUZXCYQQVTN-WBVHZDCISA-N 1 1 338.835 2.548 40 0 EFABMO COc1cccc(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)c1 ZINC000257213213 537102172 /nfs/dbraw/zinc/10/21/72/537102172.db2.gz CGPGJWIYLPJQQS-BOLBYERCSA-N 1 1 328.456 2.711 40 0 EFABMO CC(C)(C)OC(=O)N1CCC2(CC1)C[NH2+][C@H](c1ccncc1)CO2 ZINC000306146003 564062414 /nfs/dbraw/zinc/06/24/14/564062414.db2.gz YYHGNAGLLURADR-HNNXBMFYSA-N 1 1 333.432 2.512 40 0 EFABMO Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)[C@H]2c3ccccc3OC[C@H]21 ZINC001772595881 1249167592 /nfs/dbraw/zinc/16/75/92/1249167592.db2.gz QMMBLNUDJABSFQ-HBFSDRIKSA-N 1 1 336.435 2.923 40 0 EFABMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccn1)C2 ZINC000096189516 721743240 /nfs/dbraw/zinc/74/32/40/721743240.db2.gz RXVAVMIOBRGBLG-UHFFFAOYSA-N 1 1 335.411 2.659 40 0 EFABMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncccn1)C2 ZINC000096189516 721743248 /nfs/dbraw/zinc/74/32/48/721743248.db2.gz RXVAVMIOBRGBLG-UHFFFAOYSA-N 1 1 335.411 2.659 40 0 EFABMO COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000055748728 214339824 /nfs/dbraw/zinc/33/98/24/214339824.db2.gz RSMYCIIWOVADRF-XQQFMLRXSA-N 1 1 349.475 2.514 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2(c3ccccc3)CCOCC2)C1 ZINC000049761420 214031893 /nfs/dbraw/zinc/03/18/93/214031893.db2.gz LDISIUFQTFNPNA-GOSISDBHSA-N 1 1 344.499 2.973 40 0 EFABMO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc2c(c1)OCCO2 ZINC000189126984 529653273 /nfs/dbraw/zinc/65/32/73/529653273.db2.gz PIMAZUHSZGMQRS-FZMZJTMJSA-N 1 1 329.404 2.581 40 0 EFABMO NCC[N@@H+](C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178089 219094063 /nfs/dbraw/zinc/09/40/63/219094063.db2.gz PLGLNKBBQXNZGL-CALCHBBNSA-N 1 1 331.460 2.647 40 0 EFABMO [NH3+]CCN(C1CC1)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178089 219094065 /nfs/dbraw/zinc/09/40/65/219094065.db2.gz PLGLNKBBQXNZGL-CALCHBBNSA-N 1 1 331.460 2.647 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(C)cc(C)c2C)C1 ZINC000004305219 210165299 /nfs/dbraw/zinc/16/52/99/210165299.db2.gz RGKJDDDODPIFDE-MSOLQXFVSA-N 1 1 349.471 2.627 40 0 EFABMO COc1nc(C)ccc1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000066992141 215101788 /nfs/dbraw/zinc/10/17/88/215101788.db2.gz DYNYSWNPKLQWDO-UHFFFAOYSA-N 1 1 327.428 2.525 40 0 EFABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CCCC3)C2(C)C)no1 ZINC000067889785 215242164 /nfs/dbraw/zinc/24/21/64/215242164.db2.gz VQFLRGKCFFEQBP-PBHICJAKSA-N 1 1 333.476 3.000 40 0 biogenic,in-vitro EFABMO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(F)cc1 ZINC000040614273 213358181 /nfs/dbraw/zinc/35/81/81/213358181.db2.gz AGBDJKKCVUAOQX-OAHLLOKOSA-N 1 1 338.404 2.534 40 0 EFABMO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2C2CCC2)n1 ZINC000035425037 213026904 /nfs/dbraw/zinc/02/69/04/213026904.db2.gz LRBPOSHFJBNWGP-HNNXBMFYSA-N 1 1 344.415 2.846 40 0 biogenic,in-vitro EFABMO C[C@H]1CCC[C@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000035388654 213024731 /nfs/dbraw/zinc/02/47/31/213024731.db2.gz MZYWZPIRYJOWGQ-HOCLYGCPSA-N 1 1 340.464 2.711 40 0 EFABMO C[C@H]1CCC[C@@H]([NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000035388658 213024092 /nfs/dbraw/zinc/02/40/92/213024092.db2.gz MZYWZPIRYJOWGQ-GOEBONIOSA-N 1 1 340.464 2.711 40 0 EFABMO CC(C)[C@@H](c1nnnn1C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035310851 213019435 /nfs/dbraw/zinc/01/94/35/213019435.db2.gz ZSLVPIUHASNEHA-SFHVURJKSA-N 1 1 342.491 2.769 40 0 EFABMO C[C@H]1C[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000035083514 213006477 /nfs/dbraw/zinc/00/64/77/213006477.db2.gz DEQCLMVGATVMOO-GVXVVHGQSA-N 1 1 334.243 2.842 40 0 EFABMO O=C(c1cccs1)N1C[C@@H]2CCCC[N@H+](C3CCOCC3)[C@@H]2C1 ZINC000072330650 216155188 /nfs/dbraw/zinc/15/51/88/216155188.db2.gz FOKAPNUSXKFTEF-GOEBONIOSA-N 1 1 334.485 2.854 40 0 EFABMO COCCn1cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c2ccccc21 ZINC000072324733 216151226 /nfs/dbraw/zinc/15/12/26/216151226.db2.gz YZIWFRDXIBIWBJ-SJLPKXTDSA-N 1 1 327.472 2.956 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 ZINC000072355383 216165071 /nfs/dbraw/zinc/16/50/71/216165071.db2.gz DJVSPLXFQGTHQB-INIZCTEOSA-N 1 1 339.443 2.867 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363495 216169966 /nfs/dbraw/zinc/16/99/66/216169966.db2.gz XVYTUOVBYRBJGO-ZDUSSCGKSA-N 1 1 333.461 2.811 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000072363494 216170208 /nfs/dbraw/zinc/17/02/08/216170208.db2.gz XVYTUOVBYRBJGO-CYBMUJFWSA-N 1 1 333.461 2.811 40 0 EFABMO NC(=O)CCc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072360447 216168028 /nfs/dbraw/zinc/16/80/28/216168028.db2.gz HDIWLCICVZEBJR-GOSISDBHSA-N 1 1 327.403 2.976 40 0 EFABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2ccccc2)n1 ZINC000072378403 216179271 /nfs/dbraw/zinc/17/92/71/216179271.db2.gz GCBRWNBXCKIKRE-QGZVFWFLSA-N 1 1 333.395 2.948 40 0 EFABMO COCC[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000072376816 216179803 /nfs/dbraw/zinc/17/98/03/216179803.db2.gz PNGAKSNHOCMZSK-QGZVFWFLSA-N 1 1 326.444 2.993 40 0 EFABMO O=C(NC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373034 216177918 /nfs/dbraw/zinc/17/79/18/216177918.db2.gz OEOHMXQCTMHLIZ-PMACEKPBSA-N 1 1 348.446 2.896 40 0 EFABMO c1cncc(C[N@@H+]2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)c1 ZINC000072387314 216186974 /nfs/dbraw/zinc/18/69/74/216186974.db2.gz MPHVPCQNYCTHMO-KRWDZBQOSA-N 1 1 337.471 2.927 40 0 EFABMO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388532 216189776 /nfs/dbraw/zinc/18/97/76/216189776.db2.gz KPDCVIKADAJCEJ-HXUWFJFHSA-N 1 1 349.438 2.876 40 0 EFABMO Cc1cc(C(N)=O)nc([C@@]2(C)CCC[N@H+]2Cc2ccc3cc[nH]c3c2)n1 ZINC000072388532 216189780 /nfs/dbraw/zinc/18/97/80/216189780.db2.gz KPDCVIKADAJCEJ-HXUWFJFHSA-N 1 1 349.438 2.876 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2cccnc2)[nH]1 ZINC000072393097 216190814 /nfs/dbraw/zinc/19/08/14/216190814.db2.gz RSAXUCTYHLKSNZ-MRXNPFEDSA-N 1 1 347.422 2.607 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)co1 ZINC000072387339 216186418 /nfs/dbraw/zinc/18/64/18/216186418.db2.gz LVSUTUFQXQOETC-MRXNPFEDSA-N 1 1 341.459 2.828 40 0 EFABMO Cc1nc(C[N@H+]2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)co1 ZINC000072387339 216186419 /nfs/dbraw/zinc/18/64/19/216186419.db2.gz LVSUTUFQXQOETC-MRXNPFEDSA-N 1 1 341.459 2.828 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc(-c2ccncc2)[nH]1 ZINC000072392917 216191658 /nfs/dbraw/zinc/19/16/58/216191658.db2.gz VTEXRHLRWGMJFA-QGZVFWFLSA-N 1 1 347.422 2.607 40 0 EFABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c2nccnc21 ZINC000072393836 216193073 /nfs/dbraw/zinc/19/30/73/216193073.db2.gz VOTVNDFRZFIFDE-CQSZACIVSA-N 1 1 325.391 2.882 40 0 EFABMO O=c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccccn2)[nH]1 ZINC000072393221 216193251 /nfs/dbraw/zinc/19/32/51/216193251.db2.gz QJZONFKRTCTAPL-OAHLLOKOSA-N 1 1 347.422 2.607 40 0 EFABMO O=C(CCN1CCC[N@H+](C2CCCC2)CC1)NCc1ccc(F)cc1 ZINC000072667091 216289805 /nfs/dbraw/zinc/28/98/05/216289805.db2.gz IYGZZHWIXLWIGY-UHFFFAOYSA-N 1 1 347.478 2.782 40 0 EFABMO Cc1csc(C(C)(C)[NH2+]CC(=O)Nc2cc(C(C)(C)C)nn2C)n1 ZINC000072662946 216289920 /nfs/dbraw/zinc/28/99/20/216289920.db2.gz FADODGOPVDCRBK-UHFFFAOYSA-N 1 1 349.504 2.946 40 0 EFABMO COc1cccc(NC(=O)CCN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000072667093 216290158 /nfs/dbraw/zinc/29/01/58/216290158.db2.gz FUZBLFAIVNQUCX-UHFFFAOYSA-N 1 1 345.487 2.974 40 0 EFABMO O=C([C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C[C@H]21)N1CCCC1 ZINC000096058268 296038916 /nfs/dbraw/zinc/03/89/16/296038916.db2.gz RCBXKANMBKQBLV-CEXWTWQISA-N 1 1 346.446 2.675 40 0 EFABMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3cccnc3)cc2)C1 ZINC000073303441 216375415 /nfs/dbraw/zinc/37/54/15/216375415.db2.gz ZSFNCZDONGRNTF-INIZCTEOSA-N 1 1 339.439 2.983 40 0 EFABMO C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)n1cccn1 ZINC000073303166 216375452 /nfs/dbraw/zinc/37/54/52/216375452.db2.gz XGSWOUTZOZZLSF-HZPDHXFCSA-N 1 1 342.443 2.803 40 0 EFABMO COC(=O)c1sc2ccccc2c1CNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000073362133 216381944 /nfs/dbraw/zinc/38/19/44/216381944.db2.gz JSGBDQPHGDGVKV-GFCCVEGCSA-N 1 1 346.452 2.646 40 0 EFABMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[NH+](Cc2cccs2)CC1 ZINC000023262941 212365036 /nfs/dbraw/zinc/36/50/36/212365036.db2.gz KUELSIJGJBHQBS-NUJGCVRESA-N 1 1 349.544 2.949 40 0 EFABMO COc1cccc(/C=C/C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000023181110 212358725 /nfs/dbraw/zinc/35/87/25/212358725.db2.gz IFZBRDYMKVUKLE-WTBPUQPLSA-N 1 1 346.471 2.712 40 0 EFABMO C[C@H](NC(=O)CN1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000022784114 212323832 /nfs/dbraw/zinc/32/38/32/212323832.db2.gz WGFPPEKFPRKEAF-INIZCTEOSA-N 1 1 343.496 2.743 40 0 EFABMO C[N@@H+](CCCN1CC[NH+](C)CC1)CC1(c2ccc(Cl)cc2)CC1 ZINC000022593327 212309048 /nfs/dbraw/zinc/30/90/48/212309048.db2.gz ZXEZZMNRDVIYQE-UHFFFAOYSA-N 1 1 335.923 2.941 40 0 EFABMO CN1CCN(CCC[N@H+](C)CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000022593327 212309051 /nfs/dbraw/zinc/30/90/51/212309051.db2.gz ZXEZZMNRDVIYQE-UHFFFAOYSA-N 1 1 335.923 2.941 40 0 EFABMO CN1CCN(CCC[N@@H+](C)CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000022593327 212309055 /nfs/dbraw/zinc/30/90/55/212309055.db2.gz ZXEZZMNRDVIYQE-UHFFFAOYSA-N 1 1 335.923 2.941 40 0 EFABMO Nc1cc(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccn1 ZINC000193317139 240105944 /nfs/dbraw/zinc/10/59/44/240105944.db2.gz WOICZLLBIBZLAC-UHFFFAOYSA-N 1 1 344.846 2.665 40 0 EFABMO Nc1cc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)ccn1 ZINC000193317139 240105951 /nfs/dbraw/zinc/10/59/51/240105951.db2.gz WOICZLLBIBZLAC-UHFFFAOYSA-N 1 1 344.846 2.665 40 0 EFABMO COc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000193422908 240157535 /nfs/dbraw/zinc/15/75/35/240157535.db2.gz GSWDXTZZSJASRH-MRXNPFEDSA-N 1 1 344.390 2.625 40 0 EFABMO COc1ncccc1C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000193422908 240157542 /nfs/dbraw/zinc/15/75/42/240157542.db2.gz GSWDXTZZSJASRH-MRXNPFEDSA-N 1 1 344.390 2.625 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C)cn3C)C2)cc1CO ZINC000257339520 240312881 /nfs/dbraw/zinc/31/28/81/240312881.db2.gz ZCBMWMFPHCJZOR-KRWDZBQOSA-N 1 1 343.471 2.999 40 0 EFABMO Cn1cc(C[N@H+]2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2)cn1 ZINC000257228919 240313626 /nfs/dbraw/zinc/31/36/26/240313626.db2.gz FVWRBIKOBXOFEB-ICSRJNTNSA-N 1 1 338.455 2.576 40 0 EFABMO Cc1nc(CN2CCO[C@@H](CCc3cc[nH+]c(N(C)C)c3)C2)cs1 ZINC000257261805 240313935 /nfs/dbraw/zinc/31/39/35/240313935.db2.gz LIWXOMRUOWRZCS-KRWDZBQOSA-N 1 1 346.500 2.746 40 0 EFABMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000022076100 212276277 /nfs/dbraw/zinc/27/62/77/212276277.db2.gz IGCRIJVGMNNRDQ-UHFFFAOYSA-N 1 1 345.281 2.898 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000022058069 212274023 /nfs/dbraw/zinc/27/40/23/212274023.db2.gz FHLKLXPKPYINIM-MJGOQNOKSA-N 1 1 346.471 2.775 40 0 EFABMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000022058069 212274025 /nfs/dbraw/zinc/27/40/25/212274025.db2.gz FHLKLXPKPYINIM-MJGOQNOKSA-N 1 1 346.471 2.775 40 0 EFABMO CCOC[C@@]1([NH3+])[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218508570 241328743 /nfs/dbraw/zinc/32/87/43/241328743.db2.gz BHXZWXOURZWQRN-CEXWTWQISA-N 1 1 345.464 2.669 40 0 EFABMO Fc1ccc([C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2ncc[nH]2)cc1 ZINC000225472957 241881528 /nfs/dbraw/zinc/88/15/28/241881528.db2.gz WKUXYLDTZXOUIK-KGLIPLIRSA-N 1 1 342.340 2.864 40 0 EFABMO CSCC(C)(C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000225724697 242005737 /nfs/dbraw/zinc/00/57/37/242005737.db2.gz NHVQRCTWWJLVTA-UHFFFAOYSA-N 1 1 336.501 2.524 40 0 EFABMO COc1cccnc1NC(=S)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000225732228 242007223 /nfs/dbraw/zinc/00/72/23/242007223.db2.gz QKJHWCVQEFACNE-OKILXGFUSA-N 1 1 336.505 2.745 40 0 EFABMO S=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cccnc1 ZINC000225744406 242014227 /nfs/dbraw/zinc/01/42/27/242014227.db2.gz BUCUVDHPPQBMFA-UHFFFAOYSA-N 1 1 326.469 2.816 40 0 EFABMO c1cc2n(c1)C[C@H](OCc1ccncc1)C[N@H+](CC1CCOCC1)C2 ZINC000253588431 244025369 /nfs/dbraw/zinc/02/53/69/244025369.db2.gz CFJWJQJWSMMIHH-HXUWFJFHSA-N 1 1 341.455 2.711 40 0 EFABMO c1cc2n(c1)C[C@H](Oc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253588406 244026473 /nfs/dbraw/zinc/02/64/73/244026473.db2.gz BOHFYVDEUOGEHE-GOSISDBHSA-N 1 1 327.428 2.573 40 0 EFABMO c1cc2n(c1)[C@H](CCOc1ccccn1)C[N@H+](C1CCOCC1)C2 ZINC000253588726 244026634 /nfs/dbraw/zinc/02/66/34/244026634.db2.gz PTDBQHFDZVJFSR-GOSISDBHSA-N 1 1 327.428 2.888 40 0 EFABMO C[C@H]1c2nc(CC(=O)NCc3cccs3)cn2CC[N@H+]1CC1CC1 ZINC000253591045 244028040 /nfs/dbraw/zinc/02/80/40/244028040.db2.gz IJSGLEXKHXGQAU-ZDUSSCGKSA-N 1 1 344.484 2.590 40 0 EFABMO C[C@H]1c2nc(CC(=O)NCc3cccs3)cn2CC[N@@H+]1CC1CC1 ZINC000253591045 244028049 /nfs/dbraw/zinc/02/80/49/244028049.db2.gz IJSGLEXKHXGQAU-ZDUSSCGKSA-N 1 1 344.484 2.590 40 0 EFABMO C[C@H]1c2nc(CC(=O)Nc3cccnc3)cn2CC[N@@H+]1C1CCCC1 ZINC000253591295 244029247 /nfs/dbraw/zinc/02/92/47/244029247.db2.gz LPCVSTZJJXMRIC-AWEZNQCLSA-N 1 1 339.443 2.779 40 0 EFABMO C[C@H]1c2nc(CC(=O)Nc3cccnc3)cn2CC[N@H+]1C1CCCC1 ZINC000253591295 244029250 /nfs/dbraw/zinc/02/92/50/244029250.db2.gz LPCVSTZJJXMRIC-AWEZNQCLSA-N 1 1 339.443 2.779 40 0 EFABMO c1cc2n(c1)[C@H](COCc1ccccn1)C[N@@H+](CC1CCOCC1)C2 ZINC000253596592 244030698 /nfs/dbraw/zinc/03/06/98/244030698.db2.gz TTWRIDXECLUHSO-FQEVSTJZSA-N 1 1 341.455 2.883 40 0 EFABMO c1cncc(C[C@H]2CCC[N@@H+](Cc3ccnc(N4CCCC4)n3)C2)c1 ZINC000257206179 244134376 /nfs/dbraw/zinc/13/43/76/244134376.db2.gz BCEVBWBNBOHBTE-GOSISDBHSA-N 1 1 337.471 2.927 40 0 EFABMO CCCn1cc(CN2CCO[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cn1 ZINC000257199749 244115161 /nfs/dbraw/zinc/11/51/61/244115161.db2.gz AARKTOCYAHTAOI-LJQANCHMSA-N 1 1 343.475 2.636 40 0 EFABMO Fc1cccnc1C[N@@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257217600 244175491 /nfs/dbraw/zinc/17/54/91/244175491.db2.gz CZRNGCUJWABYBL-CQSZACIVSA-N 1 1 338.390 2.576 40 0 EFABMO Fc1cccnc1C[N@H+]1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257217600 244175495 /nfs/dbraw/zinc/17/54/95/244175495.db2.gz CZRNGCUJWABYBL-CQSZACIVSA-N 1 1 338.390 2.576 40 0 EFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccsc2)C1 ZINC000257207448 244139286 /nfs/dbraw/zinc/13/92/86/244139286.db2.gz BHUFSNZWQKDDBU-GOSISDBHSA-N 1 1 348.443 2.596 40 0 EFABMO CC(C)Cc1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)n(C)n1 ZINC000257208044 244140759 /nfs/dbraw/zinc/14/07/59/244140759.db2.gz BKKWSGNUMCEJPA-HKUYNNGSSA-N 1 1 332.492 2.708 40 0 EFABMO NC(=O)CCc1cccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2)n1 ZINC000257210373 244147303 /nfs/dbraw/zinc/14/73/03/244147303.db2.gz BUIQKFIIAVPVGI-GOSISDBHSA-N 1 1 327.403 2.976 40 0 EFABMO Cc1ccc(N(C)[C@@H]2COC3(C2)CC[NH+](Cc2cnc[nH]2)CC3)cc1 ZINC000257211539 244154580 /nfs/dbraw/zinc/15/45/80/244154580.db2.gz BZHMIQQIZZPUHV-IBGZPJMESA-N 1 1 340.471 2.978 40 0 EFABMO Cn1cncc1CN1CC[N@@H+](C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257222648 244187097 /nfs/dbraw/zinc/18/70/97/244187097.db2.gz DUEHPGXCKLVJED-QGZVFWFLSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1ccncc1C[N@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257225843 244202033 /nfs/dbraw/zinc/20/20/33/244202033.db2.gz FIDCKZSGABMPML-KRWDZBQOSA-N 1 1 336.439 2.729 40 0 EFABMO C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccc2)C1 ZINC000257227333 244204925 /nfs/dbraw/zinc/20/49/25/244204925.db2.gz FOUULAWTVNFINA-FQEVSTJZSA-N 1 1 342.414 2.535 40 0 EFABMO Cn1cc(CN2CC[N@@H+](C)C[C@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231370 244213109 /nfs/dbraw/zinc/21/31/09/244213109.db2.gz GGKJSMKVUXBHRD-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@@H+]2CCN(C)C[C@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231370 244213115 /nfs/dbraw/zinc/21/31/15/244213115.db2.gz GGKJSMKVUXBHRD-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1cc(C[N@H+]2CCN(C)C[C@H](Cc3cccc4cccnc43)C2)cn1 ZINC000257231370 244213120 /nfs/dbraw/zinc/21/31/20/244213120.db2.gz GGKJSMKVUXBHRD-KRWDZBQOSA-N 1 1 349.482 2.575 40 0 EFABMO Cc1nn2c(nccc2[C@H]2CC[N@H+](CC(C)C)C2)c1Cn1cccn1 ZINC000257243849 244249986 /nfs/dbraw/zinc/24/99/86/244249986.db2.gz IIVIPIJWCPRTRB-INIZCTEOSA-N 1 1 338.459 2.728 40 0 EFABMO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2sccc2C)n1 ZINC000257244643 244253747 /nfs/dbraw/zinc/25/37/47/244253747.db2.gz IMEOHVOPCMYPFG-OAHLLOKOSA-N 1 1 330.457 2.820 40 0 EFABMO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2sccc2C)n1 ZINC000257244643 244253750 /nfs/dbraw/zinc/25/37/50/244253750.db2.gz IMEOHVOPCMYPFG-OAHLLOKOSA-N 1 1 330.457 2.820 40 0 EFABMO Cn1cc(CC(=O)NCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000020181803 212109782 /nfs/dbraw/zinc/10/97/82/212109782.db2.gz AZTASXKKSPEAHO-UHFFFAOYSA-N 1 1 347.462 2.895 40 0 EFABMO Cc1nc([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)cc(=O)[nH]1 ZINC000257239470 244238774 /nfs/dbraw/zinc/23/87/74/244238774.db2.gz HPJXEPCFODHTFW-GOSISDBHSA-N 1 1 336.395 2.612 40 0 EFABMO Cc1nc([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)cc(=O)[nH]1 ZINC000257239470 244238782 /nfs/dbraw/zinc/23/87/82/244238782.db2.gz HPJXEPCFODHTFW-GOSISDBHSA-N 1 1 336.395 2.612 40 0 EFABMO Cc1nccc(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257241941 244244940 /nfs/dbraw/zinc/24/49/40/244244940.db2.gz IAHNUDZMODRJEE-PMACEKPBSA-N 1 1 339.439 2.735 40 0 EFABMO Cc1nccc(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257241941 244244943 /nfs/dbraw/zinc/24/49/43/244244943.db2.gz IAHNUDZMODRJEE-PMACEKPBSA-N 1 1 339.439 2.735 40 0 EFABMO Cc1cc(N)cc([C@H]2CN(CC3=Cc4ccccc4OC3)CCO2)[nH+]1 ZINC000257249829 244264900 /nfs/dbraw/zinc/26/49/00/244264900.db2.gz JJYCPIDSGQWPLW-HXUWFJFHSA-N 1 1 337.423 2.822 40 0 EFABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257249261 244266196 /nfs/dbraw/zinc/26/61/96/244266196.db2.gz JHMYVFMYCBMQQB-AWEZNQCLSA-N 1 1 340.456 2.807 40 0 EFABMO Cc1ccc(C(=O)NCc2cnc(C)nc2[C@@H]2CCC[N@@H+]2C)cc1F ZINC000257251137 244268962 /nfs/dbraw/zinc/26/89/62/244268962.db2.gz JPNPHTPVSGNAOV-KRWDZBQOSA-N 1 1 342.418 2.929 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257253600 244275237 /nfs/dbraw/zinc/27/52/37/244275237.db2.gz JZOAHHXGINYPSU-HNNXBMFYSA-N 1 1 337.427 2.582 40 0 EFABMO CCc1noc(C)c1C(=O)N[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257253749 244275965 /nfs/dbraw/zinc/27/59/65/244275965.db2.gz KADADOQRRDMKQZ-AWEZNQCLSA-N 1 1 328.416 2.648 40 0 EFABMO CCc1nc(C)c(C[N@@H+](C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)[nH]1 ZINC000257255554 244280531 /nfs/dbraw/zinc/28/05/31/244280531.db2.gz KHXWFARCIZXNIC-AOIWGVFYSA-N 1 1 329.444 2.683 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257258343 244291615 /nfs/dbraw/zinc/29/16/15/244291615.db2.gz KTKRUDUXTRMUGB-INIZCTEOSA-N 1 1 325.460 2.964 40 0 EFABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2CCOc2ccccc2)n1 ZINC000257267087 244363819 /nfs/dbraw/zinc/36/38/19/244363819.db2.gz MFXUEMQWKIQILO-FQEVSTJZSA-N 1 1 339.439 2.934 40 0 EFABMO CN(c1ccc(F)cc1)[C@H]1COC2(C1)CC[NH+](Cc1cnc[nH]1)CC2 ZINC000257276650 244395608 /nfs/dbraw/zinc/39/56/08/244395608.db2.gz NUPFMFZQZLRABI-GOSISDBHSA-N 1 1 344.434 2.809 40 0 EFABMO COCC[N@H+]1CCC[C@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 ZINC000257310986 244491116 /nfs/dbraw/zinc/49/11/16/244491116.db2.gz UHKWEJWPIVDZAV-HNNXBMFYSA-N 1 1 329.448 2.747 40 0 EFABMO CNc1ncccc1C[N@H+]1CCC[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746720 212061422 /nfs/dbraw/zinc/06/14/22/212061422.db2.gz BTPICVFFJRDOSP-LJQANCHMSA-N 1 1 330.476 2.784 40 0 EFABMO CCn1c(C)nc2cc(NC(=O)c3noc(C)c3C[NH+](C)C)ccc21 ZINC000019714774 212057733 /nfs/dbraw/zinc/05/77/33/212057733.db2.gz YVPPJHZFBAVUKC-UHFFFAOYSA-N 1 1 341.415 2.975 40 0 EFABMO COCC[N@H+]1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000019703666 212056251 /nfs/dbraw/zinc/05/62/51/212056251.db2.gz NNZNNXQXFKLBGP-KRWDZBQOSA-N 1 1 333.407 2.954 40 0 EFABMO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccccn1 ZINC000019654494 212053201 /nfs/dbraw/zinc/05/32/01/212053201.db2.gz JKVTVAFKTSFBRA-KRWDZBQOSA-N 1 1 325.412 2.544 40 0 EFABMO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)NCc1ccccn1 ZINC000019654494 212053203 /nfs/dbraw/zinc/05/32/03/212053203.db2.gz JKVTVAFKTSFBRA-KRWDZBQOSA-N 1 1 325.412 2.544 40 0 EFABMO COCc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2C(=O)N3)o1 ZINC000019594484 212049983 /nfs/dbraw/zinc/04/99/83/212049983.db2.gz RYBAJYSSPMHRLT-FQEVSTJZSA-N 1 1 340.423 2.747 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 ZINC000019590555 212049582 /nfs/dbraw/zinc/04/95/82/212049582.db2.gz UWVKUNHVOFCSCZ-QGZVFWFLSA-N 1 1 340.402 2.581 40 0 EFABMO C[N@H+](Cc1ccnc(N2CCCC2)n1)Cc1cc(=O)[nH]c2ccccc12 ZINC000019586585 212049197 /nfs/dbraw/zinc/04/91/97/212049197.db2.gz SUUQLUFXXLOSBW-UHFFFAOYSA-N 1 1 349.438 2.963 40 0 EFABMO C[N@@H+](Cc1ccnc(N2CCCC2)n1)Cc1cc(=O)[nH]c2ccccc12 ZINC000019586585 212049198 /nfs/dbraw/zinc/04/91/98/212049198.db2.gz SUUQLUFXXLOSBW-UHFFFAOYSA-N 1 1 349.438 2.963 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)ncc2C1 ZINC000019590554 212048594 /nfs/dbraw/zinc/04/85/94/212048594.db2.gz UWVKUNHVOFCSCZ-KRWDZBQOSA-N 1 1 340.402 2.581 40 0 EFABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccnc1 ZINC000019589270 212048737 /nfs/dbraw/zinc/04/87/37/212048737.db2.gz WOZCTRKRSNBNGK-GUDVDZBRSA-N 1 1 339.414 2.923 40 0 EFABMO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccncc2)n1 ZINC000019573804 212046111 /nfs/dbraw/zinc/04/61/11/212046111.db2.gz ZFNMNPGWSUMXAD-SFHVURJKSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccncc2)n1 ZINC000019573804 212046113 /nfs/dbraw/zinc/04/61/13/212046113.db2.gz ZFNMNPGWSUMXAD-SFHVURJKSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000019572926 212045597 /nfs/dbraw/zinc/04/55/97/212045597.db2.gz BIKJXHBBZGMCIA-PKOBYXMFSA-N 1 1 340.471 2.966 40 0 EFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000019572926 212045600 /nfs/dbraw/zinc/04/56/00/212045600.db2.gz BIKJXHBBZGMCIA-PKOBYXMFSA-N 1 1 340.471 2.966 40 0 EFABMO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2ccccn2)n1 ZINC000019573750 212044843 /nfs/dbraw/zinc/04/48/43/212044843.db2.gz JYFJLQWAXZXRGV-SFHVURJKSA-N 1 1 340.427 2.551 40 0 EFABMO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccn2)n1 ZINC000019573750 212044845 /nfs/dbraw/zinc/04/48/45/212044845.db2.gz JYFJLQWAXZXRGV-SFHVURJKSA-N 1 1 340.427 2.551 40 0 EFABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)no1 ZINC000019503733 212035081 /nfs/dbraw/zinc/03/50/81/212035081.db2.gz IDNLUGYVAIUIRE-HNNXBMFYSA-N 1 1 328.416 2.589 40 0 EFABMO CCc1cc(=O)[nH]c([C@H]2CCC[N@@H+](Cc3cc(OC)ccc3F)C2)n1 ZINC000019522493 212036540 /nfs/dbraw/zinc/03/65/40/212036540.db2.gz JQOWHADRANDZKE-ZDUSSCGKSA-N 1 1 345.418 2.860 40 0 EFABMO CCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3cc(OC)ccc3F)C2)n1 ZINC000019522492 212036228 /nfs/dbraw/zinc/03/62/28/212036228.db2.gz JQOWHADRANDZKE-CYBMUJFWSA-N 1 1 345.418 2.860 40 0 EFABMO C[C@H]1CCC[N@@H+](CC(C)(C)NC(=O)c2cc(C(F)(F)F)nn2C)C1 ZINC000019496547 212032649 /nfs/dbraw/zinc/03/26/49/212032649.db2.gz KBXPRKJLVVURMI-NSHDSACASA-N 1 1 346.397 2.679 40 0 EFABMO COc1cccc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)c1F ZINC000019453773 212028571 /nfs/dbraw/zinc/02/85/71/212028571.db2.gz BCNDTTIPJKVNLP-UHFFFAOYSA-N 1 1 345.418 2.642 40 0 EFABMO C[C@@H](NC(=O)CC[NH+]1CCN(C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000019458548 212030341 /nfs/dbraw/zinc/03/03/41/212030341.db2.gz AZVBKEOYZLCXOU-CYBMUJFWSA-N 1 1 349.862 2.901 40 0 EFABMO C[C@@H](Cn1cc(Cl)cn1)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000019457383 212030016 /nfs/dbraw/zinc/03/00/16/212030016.db2.gz ZBGTWWPXXHNHIS-ZDUSSCGKSA-N 1 1 326.872 2.553 40 0 EFABMO O[C@@H]1C[C@H]2CN(Cc3ccccc3F)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019372794 212022881 /nfs/dbraw/zinc/02/28/81/212022881.db2.gz QHNZBXALGIFDPJ-SLFFLAALSA-N 1 1 340.442 2.688 40 0 EFABMO c1ccc(OCCN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000019365897 212021166 /nfs/dbraw/zinc/02/11/66/212021166.db2.gz BZWZYAJFANAJOR-UHFFFAOYSA-N 1 1 326.440 2.762 40 0 EFABMO Cc1cccc(NC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH+]1 ZINC000078050325 217015057 /nfs/dbraw/zinc/01/50/57/217015057.db2.gz HBJHMCHUXRULGH-UHFFFAOYSA-N 1 1 349.431 2.794 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CC(C)(C)C)C3)ncc2C1 ZINC000019082631 212000352 /nfs/dbraw/zinc/00/03/52/212000352.db2.gz JZXZDQJTTFBPOR-CQSZACIVSA-N 1 1 330.476 2.607 40 0 EFABMO Cc1cc(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n2ncnc2n1 ZINC000078338115 217042025 /nfs/dbraw/zinc/04/20/25/217042025.db2.gz QJLQQKPCMNBFNY-CJNGLKHVSA-N 1 1 342.472 2.989 40 0 EFABMO Cc1cc(NS(=O)(=O)c2ccccc2Br)cc[nH+]1 ZINC000078470681 217058189 /nfs/dbraw/zinc/05/81/89/217058189.db2.gz ZAMPTPQTMUNGIR-UHFFFAOYSA-N 1 1 327.203 2.953 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000078394357 217046531 /nfs/dbraw/zinc/04/65/31/217046531.db2.gz GDYMNHVGBNEXPA-QGZVFWFLSA-N 1 1 347.503 2.679 40 0 EFABMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(Cn2ccnc2C)c1 ZINC000078498589 217063386 /nfs/dbraw/zinc/06/33/86/217063386.db2.gz UZQHBTBGQCXYLF-IBGZPJMESA-N 1 1 340.471 2.730 40 0 EFABMO O=C1OCCN1CCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000078776796 217120599 /nfs/dbraw/zinc/12/05/99/217120599.db2.gz SSGQEPDVALSQNZ-AWEZNQCLSA-N 1 1 328.416 2.585 40 0 EFABMO CCn1nc(C)c(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000078928928 217150673 /nfs/dbraw/zinc/15/06/73/217150673.db2.gz RRHAOIJEQMECEW-INIZCTEOSA-N 1 1 340.471 2.583 40 0 EFABMO CCn1nc(C)c(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1C ZINC000078928928 217150675 /nfs/dbraw/zinc/15/06/75/217150675.db2.gz RRHAOIJEQMECEW-INIZCTEOSA-N 1 1 340.471 2.583 40 0 EFABMO Cc1nn(C)c(C)c1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000078996633 217169533 /nfs/dbraw/zinc/16/95/33/217169533.db2.gz GEYZLARRRKXHFC-KDOFPFPSSA-N 1 1 340.471 2.879 40 0 EFABMO Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000078996640 217170221 /nfs/dbraw/zinc/17/02/21/217170221.db2.gz GEYZLARRRKXHFC-KSSFIOAISA-N 1 1 340.471 2.879 40 0 EFABMO COc1ncccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000110619621 220048663 /nfs/dbraw/zinc/04/86/63/220048663.db2.gz VDYFGYFKLJHHTM-BBRMVZONSA-N 1 1 345.468 2.965 40 0 EFABMO CC(C)[N@@H+](CCO)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391724 217219265 /nfs/dbraw/zinc/21/92/65/217219265.db2.gz JFFVARNQYMXMRF-GOSISDBHSA-N 1 1 334.460 2.738 40 0 EFABMO O=C(OCc1ccccc1)N1CCCC[C@H]1C[N@H+](CCO)C1CC1 ZINC000079390924 217216991 /nfs/dbraw/zinc/21/69/91/217216991.db2.gz CLIGMJYADFFTGY-SFHVURJKSA-N 1 1 332.444 2.634 40 0 EFABMO c1csc(-c2nnn(C[C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000012338002 211351419 /nfs/dbraw/zinc/35/14/19/211351419.db2.gz BQMIRYJBRRSEJZ-HNNXBMFYSA-N 1 1 340.456 2.709 40 0 EFABMO COc1ccc(F)c(C[NH+]2CCC(O)(c3cccnc3F)CC2)c1 ZINC000012328075 211349719 /nfs/dbraw/zinc/34/97/19/211349719.db2.gz IEGOLNOAKZMZID-UHFFFAOYSA-N 1 1 334.366 2.852 40 0 EFABMO Cc1nn(CCC(=O)NC(C)(C)C[N@@H+]2CCC[C@H](C)C2)c(C)c1C ZINC000012203220 211320667 /nfs/dbraw/zinc/32/06/67/211320667.db2.gz PGFHRVABEYEKGN-AWEZNQCLSA-N 1 1 334.508 2.825 40 0 EFABMO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012132638 211302321 /nfs/dbraw/zinc/30/23/21/211302321.db2.gz GNLHIHUWNXPISR-QGZVFWFLSA-N 1 1 344.480 2.907 40 0 EFABMO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012132638 211302325 /nfs/dbraw/zinc/30/23/25/211302325.db2.gz GNLHIHUWNXPISR-QGZVFWFLSA-N 1 1 344.480 2.907 40 0 EFABMO CCc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)o1 ZINC000012122202 211300364 /nfs/dbraw/zinc/30/03/64/211300364.db2.gz YXWDDIBBBOJUCM-UHFFFAOYSA-N 1 1 336.395 2.958 40 0 EFABMO CCc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)o1 ZINC000012122202 211300368 /nfs/dbraw/zinc/30/03/68/211300368.db2.gz YXWDDIBBBOJUCM-UHFFFAOYSA-N 1 1 336.395 2.958 40 0 EFABMO COc1ccc(C[N@@H+](Cc2[nH]cnc2C)C[C@H]2CCCO2)cc1OC ZINC000012116795 211296065 /nfs/dbraw/zinc/29/60/65/211296065.db2.gz CQZASXDJIWMTOY-MRXNPFEDSA-N 1 1 345.443 2.917 40 0 EFABMO COc1ccc(C[N@H+](Cc2[nH]cnc2C)C[C@H]2CCCO2)cc1OC ZINC000012116795 211296072 /nfs/dbraw/zinc/29/60/72/211296072.db2.gz CQZASXDJIWMTOY-MRXNPFEDSA-N 1 1 345.443 2.917 40 0 EFABMO O=C([C@@H]1CCC[N@@H+]1Cc1cnc2ccsc2c1)N1CCSCC1 ZINC000092672952 218157102 /nfs/dbraw/zinc/15/71/02/218157102.db2.gz WMJOLBWBPPZLGK-HNNXBMFYSA-N 1 1 347.509 2.836 40 0 EFABMO O=C([C@@H]1CCC[N@H+]1Cc1cnc2ccsc2c1)N1CCSCC1 ZINC000092672952 218157104 /nfs/dbraw/zinc/15/71/04/218157104.db2.gz WMJOLBWBPPZLGK-HNNXBMFYSA-N 1 1 347.509 2.836 40 0 EFABMO COC[C@H]([NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1)c1ccco1 ZINC000095423548 218365846 /nfs/dbraw/zinc/36/58/46/218365846.db2.gz SRKCGJMDJFGFCG-WFASDCNBSA-N 1 1 338.429 2.689 40 0 EFABMO C[C@@H](C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)[NH+]1CCSCC1 ZINC000095435615 218377580 /nfs/dbraw/zinc/37/75/80/218377580.db2.gz CKAAUSZZOWAVHS-XYJFISCASA-N 1 1 348.512 2.708 40 0 EFABMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(F)cc1 ZINC000095439051 218383136 /nfs/dbraw/zinc/38/31/36/218383136.db2.gz UGDVOGUYAWZWHI-AEFFLSMTSA-N 1 1 338.386 2.877 40 0 EFABMO C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(F)cc1 ZINC000095439051 218383139 /nfs/dbraw/zinc/38/31/39/218383139.db2.gz UGDVOGUYAWZWHI-AEFFLSMTSA-N 1 1 338.386 2.877 40 0 EFABMO Cc1cccc(C)c1OC1CC[NH+](CCCN2CCN(C)CC2)CC1 ZINC000097235653 219001979 /nfs/dbraw/zinc/00/19/79/219001979.db2.gz SMSNNJLHIMOBEP-UHFFFAOYSA-N 1 1 345.531 2.784 40 0 EFABMO CCCn1c(C)nnc1CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000097378918 219020318 /nfs/dbraw/zinc/02/03/18/219020318.db2.gz AAMACCHUQVETPC-CQSZACIVSA-N 1 1 333.505 2.937 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)C1 ZINC000055377811 296390613 /nfs/dbraw/zinc/39/06/13/296390613.db2.gz HEFAQUJGOKMAPG-CQSZACIVSA-N 1 1 332.492 2.977 40 0 EFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@@H]2c2ccccc2Cl)cc1OC ZINC000072227081 257686242 /nfs/dbraw/zinc/68/62/42/257686242.db2.gz MOPFTJKIIMTZRG-IRXDYDNUSA-N 1 1 346.814 2.768 40 0 EFABMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n1C ZINC000079042810 257835249 /nfs/dbraw/zinc/83/52/49/257835249.db2.gz LVAUVXKZSPFOIP-UHFFFAOYSA-N 1 1 346.500 2.627 40 0 EFABMO CSc1ccccc1C[N@@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000280388567 257986908 /nfs/dbraw/zinc/98/69/08/257986908.db2.gz KGJIQXYJRVQNFF-AWEZNQCLSA-N 1 1 342.530 2.512 40 0 EFABMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(Cl)c(Cl)[nH]2)C[C@H](C)O1 ZINC000097044932 258068224 /nfs/dbraw/zinc/06/82/24/258068224.db2.gz YUHXPZZFASYIRI-UWVGGRQHSA-N 1 1 348.274 2.939 40 0 EFABMO C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486766 544558670 /nfs/dbraw/zinc/55/86/70/544558670.db2.gz QOTLJDDOOGQCBJ-IAQYHMDHSA-N 1 1 326.799 2.553 40 0 EFABMO COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)C[C@H]1CCOC1 ZINC000096487656 544559759 /nfs/dbraw/zinc/55/97/59/544559759.db2.gz LWYWUJSGURQPAP-RISCZKNCSA-N 1 1 342.233 2.632 40 0 EFABMO COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)C[C@H]1CCOC1 ZINC000096487656 544559764 /nfs/dbraw/zinc/55/97/64/544559764.db2.gz LWYWUJSGURQPAP-RISCZKNCSA-N 1 1 342.233 2.632 40 0 EFABMO [NH3+][C@@H]1C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072228199 262490911 /nfs/dbraw/zinc/49/09/11/262490911.db2.gz ODOHJLPGNQBKOM-GJZGRUSLSA-N 1 1 349.203 2.999 40 0 EFABMO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCCN(c2ccccn2)CC1 ZINC000192187834 275025770 /nfs/dbraw/zinc/02/57/70/275025770.db2.gz UETIZNIZIGIURD-GOSISDBHSA-N 1 1 336.439 2.547 40 0 EFABMO O=c1c2cc(F)ccc2nc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000019346060 275043084 /nfs/dbraw/zinc/04/30/84/275043084.db2.gz YNDMLGLSBVFEKT-UHFFFAOYSA-N 1 1 329.400 2.655 40 0 EFABMO O=c1c2cc(F)ccc2nc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000019346060 275043085 /nfs/dbraw/zinc/04/30/85/275043085.db2.gz YNDMLGLSBVFEKT-UHFFFAOYSA-N 1 1 329.400 2.655 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[N@@H+](C3CCCC3)Cc3ncn(C)c32)CC1 ZINC000248075434 276194606 /nfs/dbraw/zinc/19/46/06/276194606.db2.gz YRBYPQMKAWUGIK-MRXNPFEDSA-N 1 1 330.476 2.520 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[N@H+](C3CCCC3)Cc3ncn(C)c32)CC1 ZINC000248075434 276194607 /nfs/dbraw/zinc/19/46/07/276194607.db2.gz YRBYPQMKAWUGIK-MRXNPFEDSA-N 1 1 330.476 2.520 40 0 EFABMO CCN(C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1)CC(F)(F)F ZINC000252486718 276351647 /nfs/dbraw/zinc/35/16/47/276351647.db2.gz MLRGYOLSODOXHV-JQFCIGGWSA-N 1 1 342.405 2.851 40 0 EFABMO CC(C)n1nc(CN2CCCCC2)c2c1C[N@H+](C1CCOCC1)C2 ZINC000096259170 278142018 /nfs/dbraw/zinc/14/20/18/278142018.db2.gz GGRYGWADAZILDI-UHFFFAOYSA-N 1 1 332.492 2.945 40 0 EFABMO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@H+]1CC1CCOCC1 ZINC000096109840 279144273 /nfs/dbraw/zinc/14/42/73/279144273.db2.gz BMEOPNMRPBLIKQ-OAHLLOKOSA-N 1 1 342.443 2.660 40 0 EFABMO C[C@@H]1c2ncc(COc3cccnc3)n2CC[N@@H+]1CC1CCOCC1 ZINC000096109840 279144277 /nfs/dbraw/zinc/14/42/77/279144277.db2.gz BMEOPNMRPBLIKQ-OAHLLOKOSA-N 1 1 342.443 2.660 40 0 EFABMO Cc1cccc(CO[C@H]2C[N@@H+](Cc3ccoc3)[C@@H]3CCCO[C@@H]32)n1 ZINC000096187146 281218980 /nfs/dbraw/zinc/21/89/80/281218980.db2.gz FFRXIDNNNPIFGH-QYZOEREBSA-N 1 1 328.412 2.932 40 0 EFABMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cn(C)nc2C2CCCCC2)C1 ZINC000183130072 323317870 /nfs/dbraw/zinc/31/78/70/323317870.db2.gz DMWKKGRLSRMNDF-INIZCTEOSA-N 1 1 332.492 2.768 40 0 EFABMO Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)c(N2CCCC2)n1 ZINC000129161435 472526213 /nfs/dbraw/zinc/52/62/13/472526213.db2.gz UYGOBHZYFBNXMT-KRWDZBQOSA-N 1 1 325.460 2.965 40 0 EFABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccccc3OC)n[nH]2)cc1OC ZINC000095533857 473222307 /nfs/dbraw/zinc/22/23/07/473222307.db2.gz VWBDCZDWFIWACR-INIZCTEOSA-N 1 1 340.383 2.546 40 0 EFABMO CCOc1ccc([C@@H]([NH3+])c2nc(-c3cccnc3)n[nH]2)cc1OCC ZINC000095534533 473223279 /nfs/dbraw/zinc/22/32/79/473223279.db2.gz CIACISAZJCJTPU-MRXNPFEDSA-N 1 1 339.399 2.712 40 0 EFABMO CSc1nc(C(C)C)nc(C)c1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000081689303 473243002 /nfs/dbraw/zinc/24/30/02/473243002.db2.gz IYHGUNDDKUWQSA-AWEZNQCLSA-N 1 1 348.516 2.844 40 0 EFABMO COCC[N@H+]1CCCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1 ZINC000081714775 473246262 /nfs/dbraw/zinc/24/62/62/473246262.db2.gz CEPFHKKPLUJSJO-UHFFFAOYSA-N 1 1 347.846 2.683 40 0 EFABMO O=C(c1cccc(Cl)c1)N1CC[N@H+]2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096038540 473258404 /nfs/dbraw/zinc/25/84/04/473258404.db2.gz JNQRRKCPSKJZKJ-DLBZAZTESA-N 1 1 334.847 2.665 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2ccoc2)C1 ZINC000096038951 473258975 /nfs/dbraw/zinc/25/89/75/473258975.db2.gz RKTQDFYPSKRIPA-DJIMGWMZSA-N 1 1 346.452 2.637 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@@H+](Cc2cccnc2)C3)nc1 ZINC000096040349 473261370 /nfs/dbraw/zinc/26/13/70/473261370.db2.gz YBAAHNBWFGSKGV-UYAOXDASSA-N 1 1 339.439 2.927 40 0 EFABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CCc1ccc(OC)c(OC)c1 ZINC000096041455 473261458 /nfs/dbraw/zinc/26/14/58/473261458.db2.gz MQOKYEGFHXHOSA-KVSKMBFKSA-N 1 1 335.444 2.515 40 0 EFABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CCc1ccc(OC)c(OC)c1 ZINC000096041455 473261464 /nfs/dbraw/zinc/26/14/64/473261464.db2.gz MQOKYEGFHXHOSA-KVSKMBFKSA-N 1 1 335.444 2.515 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@H+](Cc4ccoc4)C[C@H]3O2)CC1 ZINC000096043001 473265588 /nfs/dbraw/zinc/26/55/88/473265588.db2.gz RTAOUUCXFAALBL-OKZBNKHCSA-N 1 1 332.444 2.518 40 0 EFABMO CC1CCN(C(=O)[C@@H]2C[C@@H]3CC[N@@H+](Cc4ccoc4)C[C@H]3O2)CC1 ZINC000096043001 473265594 /nfs/dbraw/zinc/26/55/94/473265594.db2.gz RTAOUUCXFAALBL-OKZBNKHCSA-N 1 1 332.444 2.518 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@@H]3OC[C@H](C(=O)NCC4CC4)C[C@@H]3C2)o1 ZINC000096042633 473264922 /nfs/dbraw/zinc/26/49/22/473264922.db2.gz IGWPBDPSXSBJDM-MDZRGWNJSA-N 1 1 346.471 2.595 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccco3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042491 473265040 /nfs/dbraw/zinc/26/50/40/473265040.db2.gz BVCOZJDQGYCNER-ZACQAIPSSA-N 1 1 334.441 2.993 40 0 EFABMO Cc1nc(CO[C@@H]2C[N@@H+](Cc3ccco3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096042491 473265046 /nfs/dbraw/zinc/26/50/46/473265046.db2.gz BVCOZJDQGYCNER-ZACQAIPSSA-N 1 1 334.441 2.993 40 0 EFABMO O=C(NC1CCCC1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccsc3)C[C@H]2O1 ZINC000096042993 473265380 /nfs/dbraw/zinc/26/53/80/473265380.db2.gz XBLIIOCWUYBRLM-BHYGNILZSA-N 1 1 334.485 2.786 40 0 EFABMO CN1C[C@H](COCC2CC2)[C@H]2CC[N@@H+](Cc3ccco3)CC[C@H]2C1=O ZINC000096041109 473261122 /nfs/dbraw/zinc/26/11/22/473261122.db2.gz ALPOPJAZYHNAEU-BHIYHBOVSA-N 1 1 346.471 2.623 40 0 EFABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096043280 473265872 /nfs/dbraw/zinc/26/58/72/473265872.db2.gz ZUJREAAVLHGKIC-QGTPRVQTSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096043280 473265880 /nfs/dbraw/zinc/26/58/80/473265880.db2.gz ZUJREAAVLHGKIC-QGTPRVQTSA-N 1 1 341.411 2.601 40 0 EFABMO O=C(c1cccnc1)N1CCC[C@@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096047032 473268406 /nfs/dbraw/zinc/26/84/06/473268406.db2.gz UVRHSCORVZRIGU-IBGZPJMESA-N 1 1 325.412 2.803 40 0 EFABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096048018 473268630 /nfs/dbraw/zinc/26/86/30/473268630.db2.gz PAXWXNVFJQXJLX-GOSISDBHSA-N 1 1 341.455 2.930 40 0 EFABMO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048017 473268977 /nfs/dbraw/zinc/26/89/77/473268977.db2.gz VCKGMFOMRGUKBV-SFHVURJKSA-N 1 1 341.455 2.930 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)o1 ZINC000096047639 473269254 /nfs/dbraw/zinc/26/92/54/473269254.db2.gz CEUJYYKUQVHSDF-KBXCAEBGSA-N 1 1 331.391 2.968 40 0 EFABMO CN(Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccoc1)CC2 ZINC000096048073 473269282 /nfs/dbraw/zinc/26/92/82/473269282.db2.gz WKBBYZADYUYYTF-IBGZPJMESA-N 1 1 341.455 2.930 40 0 EFABMO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2 ZINC000096048016 473270131 /nfs/dbraw/zinc/27/01/31/473270131.db2.gz VCKGMFOMRGUKBV-GOSISDBHSA-N 1 1 341.455 2.930 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096048330 473271176 /nfs/dbraw/zinc/27/11/76/473271176.db2.gz GYXAQIDRUQQLRO-YOEHRIQHSA-N 1 1 330.457 2.774 40 0 EFABMO O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@@H+](Cc1nccs1)C2 ZINC000096048655 473271796 /nfs/dbraw/zinc/27/17/96/473271796.db2.gz YBAGZHXNRZMMEF-GOSISDBHSA-N 1 1 342.468 2.553 40 0 EFABMO CC(C)C(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000096049132 473273496 /nfs/dbraw/zinc/27/34/96/473273496.db2.gz UQDLXWKCCNOXKV-LJQANCHMSA-N 1 1 334.435 2.675 40 0 EFABMO CC(C)C(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000096049132 473273502 /nfs/dbraw/zinc/27/35/02/473273502.db2.gz UQDLXWKCCNOXKV-LJQANCHMSA-N 1 1 334.435 2.675 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3ccncc3)C2)CN1c1cccc(F)c1 ZINC000096050734 473273999 /nfs/dbraw/zinc/27/39/99/473273999.db2.gz MMFCQBTUOMEUQQ-LJQANCHMSA-N 1 1 325.387 2.850 40 0 EFABMO c1cncc(C[N@H+]2CCCC23CCN(CC2CCOCC2)CC3)c1 ZINC000096049322 473274030 /nfs/dbraw/zinc/27/40/30/473274030.db2.gz HRBIBIPCFHQRHU-UHFFFAOYSA-N 1 1 329.488 2.939 40 0 EFABMO c1cncc(C[N@@H+]2CCCC23CCN(CC2CCOCC2)CC3)c1 ZINC000096049322 473274036 /nfs/dbraw/zinc/27/40/36/473274036.db2.gz HRBIBIPCFHQRHU-UHFFFAOYSA-N 1 1 329.488 2.939 40 0 EFABMO O=C1C[C@@]2(CC[N@H+](Cc3nccs3)C2)CN1c1cccc(F)c1 ZINC000096050718 473274170 /nfs/dbraw/zinc/27/41/70/473274170.db2.gz WLANIMXOHKHYRN-QGZVFWFLSA-N 1 1 331.416 2.911 40 0 EFABMO O=C1C[C@@]2(CC[N@@H+](Cc3nccs3)C2)CN1c1cccc(F)c1 ZINC000096050718 473274175 /nfs/dbraw/zinc/27/41/75/473274175.db2.gz WLANIMXOHKHYRN-QGZVFWFLSA-N 1 1 331.416 2.911 40 0 EFABMO CC(C)[N@H+](C)C[C@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052304 473275025 /nfs/dbraw/zinc/27/50/25/473275025.db2.gz QPYBOZQNUNPMEE-SJLPKXTDSA-N 1 1 338.517 2.838 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052304 473275031 /nfs/dbraw/zinc/27/50/31/473275031.db2.gz QPYBOZQNUNPMEE-SJLPKXTDSA-N 1 1 338.517 2.838 40 0 EFABMO FC1(F)CC[N@@H+](Cc2ccoc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051176 473276606 /nfs/dbraw/zinc/27/66/06/473276606.db2.gz SDLQFQWGLTVADH-INIZCTEOSA-N 1 1 334.370 2.807 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccncc2)c1 ZINC000096055312 473278142 /nfs/dbraw/zinc/27/81/42/473278142.db2.gz XHAVUGDHTXUUPX-SLFFLAALSA-N 1 1 339.439 2.673 40 0 EFABMO c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccncc2)c1 ZINC000096055312 473278147 /nfs/dbraw/zinc/27/81/47/473278147.db2.gz XHAVUGDHTXUUPX-SLFFLAALSA-N 1 1 339.439 2.673 40 0 EFABMO Fc1cccc(O[C@@H]2C[C@@H]3CN(Cc4nccs4)CC[N@H+]3C2)c1 ZINC000096055144 473278734 /nfs/dbraw/zinc/27/87/34/473278734.db2.gz QGRWLWBWGURQKP-GDBMZVCRSA-N 1 1 333.432 2.620 40 0 EFABMO O=C(NC[C@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1)c1ccco1 ZINC000096055375 473279140 /nfs/dbraw/zinc/27/91/40/473279140.db2.gz QBAAYXVAKDDLOV-FRFSOERESA-N 1 1 346.452 2.751 40 0 EFABMO O=C(NC[C@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccs1)c1ccco1 ZINC000096055375 473279147 /nfs/dbraw/zinc/27/91/47/473279147.db2.gz QBAAYXVAKDDLOV-FRFSOERESA-N 1 1 346.452 2.751 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@H]3CN(Cc4cccs4)CC[N@H+]3C2)n1 ZINC000096055068 473279776 /nfs/dbraw/zinc/27/97/76/473279776.db2.gz ALPOSNWRPHAPTP-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@H]3C[N@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055068 473279783 /nfs/dbraw/zinc/27/97/83/473279783.db2.gz ALPOSNWRPHAPTP-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO Cc1cccc(CO[C@@H]2C[C@H]3C[N@@H+](Cc4cccs4)CCN3C2)n1 ZINC000096055068 473279789 /nfs/dbraw/zinc/27/97/89/473279789.db2.gz ALPOSNWRPHAPTP-ZWKOTPCHSA-N 1 1 343.496 2.927 40 0 EFABMO O=C(c1cscn1)N1CC[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096054139 473279858 /nfs/dbraw/zinc/27/98/58/473279858.db2.gz XLBWIYXTDKVSQH-CHWSQXEVSA-N 1 1 333.482 2.799 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H](Cc4nc(C)no4)[C@@H]3C2)s1 ZINC000096057251 473280688 /nfs/dbraw/zinc/28/06/88/473280688.db2.gz YRGNEDZBUOFWOT-FMKPAKJESA-N 1 1 333.457 2.685 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]21 ZINC000096056300 473281042 /nfs/dbraw/zinc/28/10/42/473281042.db2.gz FPRGQANBWFLTRS-YSIASYRMSA-N 1 1 341.455 2.644 40 0 EFABMO CN(Cc1ccco1)C[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC000096056300 473281048 /nfs/dbraw/zinc/28/10/48/473281048.db2.gz FPRGQANBWFLTRS-YSIASYRMSA-N 1 1 341.455 2.644 40 0 EFABMO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccccn2)n1 ZINC000096056639 473281100 /nfs/dbraw/zinc/28/11/00/473281100.db2.gz LQIYZQOXAYRTSK-RTBURBONSA-N 1 1 336.439 2.551 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)s1 ZINC000096057462 473281396 /nfs/dbraw/zinc/28/13/96/473281396.db2.gz HTVWKYYGTNAPSX-BRWVUGGUSA-N 1 1 334.485 2.705 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096057073 473281586 /nfs/dbraw/zinc/28/15/86/473281586.db2.gz PAEYRUOOJLVMPW-ICSRJNTNSA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096057071 473281771 /nfs/dbraw/zinc/28/17/71/473281771.db2.gz PAEYRUOOJLVMPW-QUCCMNQESA-N 1 1 339.439 2.927 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@H]2CC[N@@H+](Cc2ccncc2)C3)nc1 ZINC000096057074 473282105 /nfs/dbraw/zinc/28/21/05/473282105.db2.gz PAEYRUOOJLVMPW-AZUAARDMSA-N 1 1 339.439 2.927 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)cc1 ZINC000096058242 473282189 /nfs/dbraw/zinc/28/21/89/473282189.db2.gz CSTCOCILUVJCSY-BHYGNILZSA-N 1 1 329.400 2.739 40 0 EFABMO O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096058259 473283348 /nfs/dbraw/zinc/28/33/48/473283348.db2.gz UUELLKFAYDCJKZ-CEXWTWQISA-N 1 1 346.446 2.579 40 0 EFABMO O=C(c1ccoc1)N1C[C@H]2c3ccccc3[C@H]([NH+]3CCOCC3)[C@H]2C1 ZINC000096058349 473283573 /nfs/dbraw/zinc/28/35/73/473283573.db2.gz WFNPLZOYWHITKO-FHWLQOOXSA-N 1 1 338.407 2.522 40 0 EFABMO CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2CN(S(=O)(=O)C3CC3)C[C@@H]21 ZINC000096058337 473283781 /nfs/dbraw/zinc/28/37/81/473283781.db2.gz BWCYDLDWTCXKDD-BZSNNMDCSA-N 1 1 334.485 2.589 40 0 EFABMO c1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)nc1 ZINC000096058347 473284095 /nfs/dbraw/zinc/28/40/95/473284095.db2.gz VKHVFKBQLFCEQG-ACRUOGEOSA-N 1 1 335.451 2.684 40 0 EFABMO Cc1cccc(C(=O)N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC000096061992 473285101 /nfs/dbraw/zinc/28/51/01/473285101.db2.gz ZTVHUEAHIOKTBS-HNNXBMFYSA-N 1 1 341.459 2.644 40 0 EFABMO c1ccc(C[C@H]2[C@H](N3CCOCC3)CC[N@H+]2Cc2cccnc2)cc1 ZINC000096061690 473285142 /nfs/dbraw/zinc/28/51/42/473285142.db2.gz WYGYMRPSMSYDKW-RTWAWAEBSA-N 1 1 337.467 2.599 40 0 EFABMO c1csc(C[N@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC000096064652 473287471 /nfs/dbraw/zinc/28/74/71/473287471.db2.gz AFUVCZBNVZUJFI-ULQDDVLXSA-N 1 1 345.468 2.877 40 0 EFABMO c1csc(C[N@@H+]2CC[C@@H]3O[C@H](COCc4ccccn4)CC[C@@H]32)n1 ZINC000096064652 473287480 /nfs/dbraw/zinc/28/74/80/473287480.db2.gz AFUVCZBNVZUJFI-ULQDDVLXSA-N 1 1 345.468 2.877 40 0 EFABMO CN1C[C@@H](COCC2CC2)[C@H]2CC[N@@H+](Cc3ccco3)CC[C@H]2C1=O ZINC000096066436 473288152 /nfs/dbraw/zinc/28/81/52/473288152.db2.gz ALPOPJAZYHNAEU-QXAKKESOSA-N 1 1 346.471 2.623 40 0 EFABMO c1csc(C[N@H+]2CCC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096073768 473288903 /nfs/dbraw/zinc/28/89/03/473288903.db2.gz NXQJJXWQEMDRAY-YOEHRIQHSA-N 1 1 330.457 2.774 40 0 EFABMO O=C(C1CC1)N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096078130 473291178 /nfs/dbraw/zinc/29/11/78/473291178.db2.gz BIBVQUXFQQOIPT-QGZVFWFLSA-N 1 1 335.398 2.551 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(C(=O)c1ccc(C)o1)CC2 ZINC000096078390 473291426 /nfs/dbraw/zinc/29/14/26/473291426.db2.gz XRKISKJGBCHQFZ-MRXNPFEDSA-N 1 1 334.460 2.940 40 0 EFABMO Cc1ccccc1C[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1 ZINC000096080985 473291817 /nfs/dbraw/zinc/29/18/17/473291817.db2.gz NISIFTQRVPZAGW-IYBDPMFKSA-N 1 1 327.453 2.656 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096093131 473292931 /nfs/dbraw/zinc/29/29/31/473292931.db2.gz WGBMNJFLCDDFLK-WMLDXEAASA-N 1 1 348.447 2.831 40 0 EFABMO CC[C@H]1[N@@H+](Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096100127 473296183 /nfs/dbraw/zinc/29/61/83/473296183.db2.gz NSUTYSMGCJYIJU-MJGOQNOKSA-N 1 1 332.444 2.727 40 0 EFABMO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccccn3)C[C@@H]12 ZINC000096100391 473296720 /nfs/dbraw/zinc/29/67/20/473296720.db2.gz DPDSYFWIKNYOCV-NHCUHLMSSA-N 1 1 335.451 2.846 40 0 EFABMO CO[C@H]1CCN(Cc2scnc2C)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096109499 473301422 /nfs/dbraw/zinc/30/14/22/473301422.db2.gz ZPFLPNWUCQCLHV-BBWFWOEESA-N 1 1 347.484 2.766 40 0 EFABMO CO[C@H]1CC[N@H+](Cc2scnc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096109499 473301426 /nfs/dbraw/zinc/30/14/26/473301426.db2.gz ZPFLPNWUCQCLHV-BBWFWOEESA-N 1 1 347.484 2.766 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2scnc2C)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096109499 473301432 /nfs/dbraw/zinc/30/14/32/473301432.db2.gz ZPFLPNWUCQCLHV-BBWFWOEESA-N 1 1 347.484 2.766 40 0 EFABMO O=C(C1=CCCC1)N1C[C@@H]2C[N@@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096108230 473301699 /nfs/dbraw/zinc/30/16/99/473301699.db2.gz CKCOOFWIBMGGOY-DLBZAZTESA-N 1 1 332.469 2.518 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccsc4)CCO[C@@H]3C2)o1 ZINC000096108218 473302006 /nfs/dbraw/zinc/30/20/06/473302006.db2.gz LVDHLHREGZEUBX-DOTOQJQBSA-N 1 1 346.452 2.623 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3(COCC(=O)N3CCCC3)C2)o1 ZINC000096109215 473302683 /nfs/dbraw/zinc/30/26/83/473302683.db2.gz FNSWYEZTAIPNEE-XLIONFOSSA-N 1 1 346.471 2.829 40 0 EFABMO c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)c1 ZINC000096108762 473302769 /nfs/dbraw/zinc/30/27/69/473302769.db2.gz GPAVKGDLLHPIGG-SJLPKXTDSA-N 1 1 337.485 2.640 40 0 EFABMO c1csc(C[N@@H+]2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c1 ZINC000096108864 473302816 /nfs/dbraw/zinc/30/28/16/473302816.db2.gz BXYAFQHSNKXRIM-SJLPKXTDSA-N 1 1 330.453 2.808 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccsc3)C2)o1 ZINC000096108465 473302930 /nfs/dbraw/zinc/30/29/30/473302930.db2.gz SVLIEXAEDUTHIR-QAPCUYQASA-N 1 1 346.452 2.528 40 0 EFABMO F[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112140 473305071 /nfs/dbraw/zinc/30/50/71/473305071.db2.gz STIXYYNBQVNLSJ-ZBFHGGJFSA-N 1 1 326.375 2.697 40 0 biogenic,in-vitro EFABMO F[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1nc2cccnc2[nH]1 ZINC000096112140 473305073 /nfs/dbraw/zinc/30/50/73/473305073.db2.gz STIXYYNBQVNLSJ-ZBFHGGJFSA-N 1 1 326.375 2.697 40 0 biogenic,in-vitro EFABMO Fc1cccc(O[C@H]2C[C@H]3CN(Cc4cccnc4)CC[N@H+]3C2)c1 ZINC000096110705 473303445 /nfs/dbraw/zinc/30/34/45/473303445.db2.gz JSBVORPPEWRCAE-HKUYNNGSSA-N 1 1 327.403 2.558 40 0 EFABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)N1Cc1cccnc1 ZINC000096110748 473303522 /nfs/dbraw/zinc/30/35/22/473303522.db2.gz AMEAAZDACQRYEQ-IAGOWNOFSA-N 1 1 327.453 2.909 40 0 EFABMO O=C(c1cccnc1)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096158095 473317363 /nfs/dbraw/zinc/31/73/63/473317363.db2.gz FLMWLDZPTLIDBY-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO O=C(c1cccnc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096158095 473317369 /nfs/dbraw/zinc/31/73/69/473317369.db2.gz FLMWLDZPTLIDBY-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO Cn1cccc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096158057 473318246 /nfs/dbraw/zinc/31/82/46/473318246.db2.gz DJRYUYPQBYEDDY-HXUWFJFHSA-N 1 1 338.455 2.548 40 0 EFABMO Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC000096158830 473318375 /nfs/dbraw/zinc/31/83/75/473318375.db2.gz LCHZWKCIWPOIQH-UHFFFAOYSA-N 1 1 344.484 2.718 40 0 EFABMO Cc1cnc(N2C[C@H]3[C@@H](C2)CCC[C@@H]3[N@@H+](C)Cc2ccccn2)nc1 ZINC000096183048 473324299 /nfs/dbraw/zinc/32/42/99/473324299.db2.gz FFHMTAVDRKLYBU-NEWSRXKRSA-N 1 1 337.471 2.917 40 0 EFABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3S(=O)(=O)c2ccccc2)o1 ZINC000096184685 473325853 /nfs/dbraw/zinc/32/58/53/473325853.db2.gz KBHLNSAVVBCNRP-ZWKOTPCHSA-N 1 1 346.452 2.626 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3S(=O)(=O)c2ccccc2)o1 ZINC000096184685 473325856 /nfs/dbraw/zinc/32/58/56/473325856.db2.gz KBHLNSAVVBCNRP-ZWKOTPCHSA-N 1 1 346.452 2.626 40 0 EFABMO Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3Cc2cccs2)n1 ZINC000096184190 473325932 /nfs/dbraw/zinc/32/59/32/473325932.db2.gz MATFEKDINOZCKM-DLBZAZTESA-N 1 1 327.453 2.827 40 0 EFABMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000096185690 473326248 /nfs/dbraw/zinc/32/62/48/473326248.db2.gz OGEKAJRJTFCGIR-HOJAQTOUSA-N 1 1 339.487 2.652 40 0 EFABMO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2cccc(F)c2)N1Cc1cccnc1 ZINC000096184012 473326675 /nfs/dbraw/zinc/32/66/75/473326675.db2.gz WMPCXKAVWRCBHI-ZWKOTPCHSA-N 1 1 325.387 2.596 40 0 EFABMO c1ccc(COC[C@@H]2CC[C@H]3[C@H](CC[N@H+]3Cc3ccccn3)O2)nc1 ZINC000096186164 473326914 /nfs/dbraw/zinc/32/69/14/473326914.db2.gz MAMGHHAGJDHMSD-UFYCRDLUSA-N 1 1 339.439 2.815 40 0 EFABMO O=C(NC[C@H]1OC[C@@H]2CC[N@@H+](Cc3cccs3)C[C@@H]21)c1ccco1 ZINC000096185471 473327412 /nfs/dbraw/zinc/32/74/12/473327412.db2.gz HTBINCONFNJJKG-JLJPHGGASA-N 1 1 346.452 2.608 40 0 EFABMO CC(C)[N@H+]1[C@H](CN2CCCC2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096185595 473327514 /nfs/dbraw/zinc/32/75/14/473327514.db2.gz BHHLNGLQQLKCSY-QYZOEREBSA-N 1 1 345.487 2.689 40 0 EFABMO CC(C)N1[C@H](C[NH+]2CCCC2)C[C@@H]2CN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096185595 473327518 /nfs/dbraw/zinc/32/75/18/473327518.db2.gz BHHLNGLQQLKCSY-QYZOEREBSA-N 1 1 345.487 2.689 40 0 EFABMO Cc1cccc(N2CC[C@@H]3[C@@H](C[N@H+](C)Cc4ccco4)OC[C@@H]3C2)n1 ZINC000096185356 473327749 /nfs/dbraw/zinc/32/77/49/473327749.db2.gz YLFNJASNOBLICE-YTQUADARSA-N 1 1 341.455 2.956 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096187109 473328899 /nfs/dbraw/zinc/32/88/99/473328899.db2.gz OXOGDDNTBGRWRG-VYDXJSESSA-N 1 1 331.441 2.657 40 0 EFABMO c1coc(C[N@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096189171 473330211 /nfs/dbraw/zinc/33/02/11/473330211.db2.gz BDQZNJGMVKFKNS-MRXNPFEDSA-N 1 1 338.411 2.720 40 0 EFABMO c1coc(C[N@@H+]2Cc3ccnn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096189171 473330221 /nfs/dbraw/zinc/33/02/21/473330221.db2.gz BDQZNJGMVKFKNS-MRXNPFEDSA-N 1 1 338.411 2.720 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@@H+](Cc1cccnc1)C2 ZINC000096189153 473330688 /nfs/dbraw/zinc/33/06/88/473330688.db2.gz XYBVLWQUSQSOQS-IBGZPJMESA-N 1 1 349.438 2.522 40 0 EFABMO c1cc2n(n1)C[C@@H](COCc1cccnc1)C[N@H+](Cc1cccnc1)C2 ZINC000096189153 473330693 /nfs/dbraw/zinc/33/06/93/473330693.db2.gz XYBVLWQUSQSOQS-IBGZPJMESA-N 1 1 349.438 2.522 40 0 EFABMO O=C(Cc1ccsc1)N1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC000096197271 473332590 /nfs/dbraw/zinc/33/25/90/473332590.db2.gz NRMZMENGDQTLRY-UHFFFAOYSA-N 1 1 344.484 2.515 40 0 EFABMO Cc1ccc2c(n1)N(Cc1ccncc1)CC[N@@H+](C1CCOCC1)C2 ZINC000096199101 473335650 /nfs/dbraw/zinc/33/56/50/473335650.db2.gz QVRGWTSROWSJLE-UHFFFAOYSA-N 1 1 338.455 2.786 40 0 EFABMO COCCO[C@H]1CC[N@@H+](Cc2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200506 473336028 /nfs/dbraw/zinc/33/60/28/473336028.db2.gz MKUCCCUSERPHJN-ROUUACIJSA-N 1 1 332.469 2.992 40 0 EFABMO Cc1nc(CN2CCOC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)cs1 ZINC000096202127 473337398 /nfs/dbraw/zinc/33/73/98/473337398.db2.gz PHFPNHORYZXDJC-SFHVURJKSA-N 1 1 347.484 2.769 40 0 EFABMO CCOC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)[N@H+]1C ZINC000096208205 473342903 /nfs/dbraw/zinc/34/29/03/473342903.db2.gz MOJHSIBNSSGRJS-QGZVFWFLSA-N 1 1 334.435 2.931 40 0 EFABMO Cc1cccc(CN2CCOC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2)n1 ZINC000096202133 473339171 /nfs/dbraw/zinc/33/91/71/473339171.db2.gz AZZVLKHUSNNHAE-FQEVSTJZSA-N 1 1 341.455 2.708 40 0 EFABMO Cc1cc(C[NH+]2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)no1 ZINC000096206261 473340431 /nfs/dbraw/zinc/34/04/31/473340431.db2.gz RLQRDQLUUMWRKS-HNNXBMFYSA-N 1 1 347.390 2.720 40 0 EFABMO c1ncn2c1C[N@@H+](CCc1ccccc1)C[C@@H](COCC1CC1)C2 ZINC000096206229 473341046 /nfs/dbraw/zinc/34/10/46/473341046.db2.gz KOWHMWVMHBYBGD-LJQANCHMSA-N 1 1 325.456 2.984 40 0 EFABMO COC[C@@H]1CC2(C[N@H+]1CC1CC1)CCN(C(=O)C1CC=CC1)CC2 ZINC000096208261 473342198 /nfs/dbraw/zinc/34/21/98/473342198.db2.gz RFXLRQUBJFVJLV-SFHVURJKSA-N 1 1 332.488 2.692 40 0 EFABMO CCOC[C@H]1CCC2(CCN(c3ncc(F)cn3)CC2)[N@H+]1CC1CC1 ZINC000096208259 473342795 /nfs/dbraw/zinc/34/27/95/473342795.db2.gz HWDCBZWFNHOZMD-QGZVFWFLSA-N 1 1 348.466 2.866 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096208927 473345543 /nfs/dbraw/zinc/34/55/43/473345543.db2.gz NSWVYLLMBBXMQU-GUYCJALGSA-N 1 1 349.431 2.798 40 0 EFABMO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)no1 ZINC000096209070 473345587 /nfs/dbraw/zinc/34/55/87/473345587.db2.gz QTZGPVDRLNKVAY-MOPGFXCFSA-N 1 1 343.427 2.576 40 0 EFABMO Cc1cc(C[N@H+]2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)no1 ZINC000096209070 473345596 /nfs/dbraw/zinc/34/55/96/473345596.db2.gz QTZGPVDRLNKVAY-MOPGFXCFSA-N 1 1 343.427 2.576 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096208986 473345719 /nfs/dbraw/zinc/34/57/19/473345719.db2.gz BZLDQHQWNPSQBO-AEFFLSMTSA-N 1 1 345.468 2.797 40 0 EFABMO Cc1cc(OC[C@H]2CO[C@@H]3C[N@@H+](C4CCSCC4)C[C@H]23)cc(C)n1 ZINC000096215895 473346377 /nfs/dbraw/zinc/34/63/77/473346377.db2.gz GKTSLBMOIMWULI-KFKAGJAMSA-N 1 1 348.512 2.920 40 0 EFABMO Cc1cc(OC[C@H]2CO[C@@H]3C[N@H+](C4CCSCC4)C[C@H]23)cc(C)n1 ZINC000096215895 473346382 /nfs/dbraw/zinc/34/63/82/473346382.db2.gz GKTSLBMOIMWULI-KFKAGJAMSA-N 1 1 348.512 2.920 40 0 EFABMO CC[N@H+]1C[C@H](COC)[C@]2(CCN(C(=O)c3ccc(F)cc3C)C2)C1 ZINC000096216464 473347273 /nfs/dbraw/zinc/34/72/73/473347273.db2.gz URAHVALKTLKGFF-DNVCBOLYSA-N 1 1 334.435 2.565 40 0 EFABMO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4nccn4C)C3)C2)n1 ZINC000096216118 473348149 /nfs/dbraw/zinc/34/81/49/473348149.db2.gz FYZAWXOLIJJBER-FQEVSTJZSA-N 1 1 339.487 2.612 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](CC(=O)N4CCCC4)O[C@@H]3C2)s1 ZINC000096217615 473349867 /nfs/dbraw/zinc/34/98/67/473349867.db2.gz XAOUHCKTJDFTAA-ZMSDIMECSA-N 1 1 334.485 2.658 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)o1 ZINC000096218411 473352632 /nfs/dbraw/zinc/35/26/32/473352632.db2.gz UMZSEYLAVKGXKF-BHIYHBOVSA-N 1 1 346.471 2.828 40 0 EFABMO CN(Cc1ccccn1)[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccco3)C2)C1 ZINC000096219880 473353133 /nfs/dbraw/zinc/35/31/33/473353133.db2.gz SZDRMCRURFKQDV-PKOBYXMFSA-N 1 1 327.428 2.540 40 0 EFABMO C[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096220239 473353985 /nfs/dbraw/zinc/35/39/85/473353985.db2.gz QNISCQVOBQJBPT-AZUAARDMSA-N 1 1 341.455 2.645 40 0 EFABMO Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cnn(C)c2)C3)c1 ZINC000096222723 473354978 /nfs/dbraw/zinc/35/49/78/473354978.db2.gz ONWHCLWEPSRFDZ-VQTJNVASSA-N 1 1 340.471 2.964 40 0 EFABMO Cn1cc(N2CC[C@@]3(CCC[N@@H+](Cc4ccc(F)cc4)C3)C2=O)cn1 ZINC000096224657 473355118 /nfs/dbraw/zinc/35/51/18/473355118.db2.gz WBLNBUBCYPNKBT-LJQANCHMSA-N 1 1 342.418 2.578 40 0 EFABMO Fc1cccnc1N[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096222986 473355445 /nfs/dbraw/zinc/35/54/45/473355445.db2.gz GSSPPWWXHLZPLB-QFBILLFUSA-N 1 1 342.418 2.851 40 0 EFABMO Fc1cnc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc1 ZINC000096223258 473355936 /nfs/dbraw/zinc/35/59/36/473355936.db2.gz XJWCKTVSHCYCHU-PKOBYXMFSA-N 1 1 342.418 2.851 40 0 EFABMO Cc1cccc(CN2CC[C@]3(CCC[N@@H+](Cc4ccoc4)C3)C2=O)n1 ZINC000096224710 473356059 /nfs/dbraw/zinc/35/60/59/473356059.db2.gz ZRTJYJBEGGWYJS-FQEVSTJZSA-N 1 1 339.439 2.998 40 0 EFABMO Cc1cccc(CN2CC[C@@]3(CCC[N@@H+](Cc4ccoc4)C3)C2=O)n1 ZINC000096224711 473356296 /nfs/dbraw/zinc/35/62/96/473356296.db2.gz ZRTJYJBEGGWYJS-HXUWFJFHSA-N 1 1 339.439 2.998 40 0 EFABMO O=C(NCc1ccco1)C1=NO[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC000096225881 473356815 /nfs/dbraw/zinc/35/68/15/473356815.db2.gz YYEMJPZYRCQFFJ-IBGZPJMESA-N 1 1 345.443 2.697 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)cc1 ZINC000096225551 473358123 /nfs/dbraw/zinc/35/81/23/473358123.db2.gz CJXSGCBCYFGHSZ-HXUWFJFHSA-N 1 1 343.471 2.837 40 0 EFABMO Cc1nc(N(C)C)nc2c1COC[C@@]21CC[N@@H+](Cc2ccccc2)C1 ZINC000096244395 473362889 /nfs/dbraw/zinc/36/28/89/473362889.db2.gz UVVWBBUNEFBCRW-FQEVSTJZSA-N 1 1 338.455 2.525 40 0 EFABMO COCCC[N@H+]1CCCC12CCN(C(=O)c1ccccc1F)CC2 ZINC000096227931 473359271 /nfs/dbraw/zinc/35/92/71/473359271.db2.gz CNWGBBDXBXODOA-UHFFFAOYSA-N 1 1 334.435 2.933 40 0 EFABMO c1cncc(N2CCOC[C@@]3(CCC[N@H+](Cc4ccncc4)C3)C2)c1 ZINC000096229023 473359910 /nfs/dbraw/zinc/35/99/10/473359910.db2.gz HZZUWOUHZWEJTO-HXUWFJFHSA-N 1 1 338.455 2.596 40 0 EFABMO Cc1cnc(N2CCC3(C[C@H]3C[N@H+](C)Cc3cccnc3)CC2)nc1 ZINC000096238323 473360768 /nfs/dbraw/zinc/36/07/68/473360768.db2.gz VHMYXSDQSHHQEU-SFHVURJKSA-N 1 1 337.471 2.919 40 0 EFABMO Cc1cnc(N2CCC3(C[C@@H]3C[N@H+](C)Cc3cccnc3)CC2)nc1 ZINC000096238322 473360795 /nfs/dbraw/zinc/36/07/95/473360795.db2.gz VHMYXSDQSHHQEU-GOSISDBHSA-N 1 1 337.471 2.919 40 0 EFABMO Cn1cc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cn1 ZINC000096239569 473361820 /nfs/dbraw/zinc/36/18/20/473361820.db2.gz GSPNADKSXGLTNI-KRWDZBQOSA-N 1 1 347.413 2.553 40 0 EFABMO FC1(F)CC[N@@H+](Cc2cccnc2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239718 473362580 /nfs/dbraw/zinc/36/25/80/473362580.db2.gz ZMDRTXUDNGAPPH-QGZVFWFLSA-N 1 1 345.397 2.609 40 0 EFABMO CC[N@H+]1CCc2cc(C(=O)N3CCCC3)c(NC(C)C)nc2CC1 ZINC000096260478 473367539 /nfs/dbraw/zinc/36/75/39/473367539.db2.gz LWWZRYXALPVTBF-UHFFFAOYSA-N 1 1 330.476 2.558 40 0 EFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(C(=O)c1ccccc1F)CCC2 ZINC000096259228 473367622 /nfs/dbraw/zinc/36/76/22/473367622.db2.gz YJKHYOWWLHETAA-UHFFFAOYSA-N 1 1 344.434 2.909 40 0 EFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(C(=O)c1ccccc1F)CCC2 ZINC000096259228 473367625 /nfs/dbraw/zinc/36/76/25/473367625.db2.gz YJKHYOWWLHETAA-UHFFFAOYSA-N 1 1 344.434 2.909 40 0 EFABMO Cc1ccoc1C(=O)N1CCCn2cnc(C[N@@H+](C)C(C)C)c2C1 ZINC000096259211 473367731 /nfs/dbraw/zinc/36/77/31/473367731.db2.gz LEYCTNZBDPIVSO-UHFFFAOYSA-N 1 1 330.432 2.671 40 0 EFABMO Cc1ccoc1C(=O)N1CCCn2cnc(C[N@H+](C)C(C)C)c2C1 ZINC000096259211 473367740 /nfs/dbraw/zinc/36/77/40/473367740.db2.gz LEYCTNZBDPIVSO-UHFFFAOYSA-N 1 1 330.432 2.671 40 0 EFABMO O=C(c1ccco1)N1CCO[C@@H]2C[N@@H+](Cc3cccs3)CC[C@@H]2C1 ZINC000096249873 473363865 /nfs/dbraw/zinc/36/38/65/473363865.db2.gz KBGVTTFKLDOBHK-RHSMWYFYSA-N 1 1 346.452 2.704 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@@H]3CCN(Cc4ccncc4)C(=O)[C@H]3C2)s1 ZINC000096249095 473364268 /nfs/dbraw/zinc/36/42/68/473364268.db2.gz XAAVZVYYQOAGII-WMZOPIPTSA-N 1 1 341.480 2.932 40 0 EFABMO Cc1nc(CN2CCO[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000096248767 473364798 /nfs/dbraw/zinc/36/47/98/473364798.db2.gz LMHLSBSHPXQMNL-MSOLQXFVSA-N 1 1 329.469 2.537 40 0 EFABMO Cc1cccc(C(=O)N2CCCn3cnc(C[NH+]4CCCC4)c3C2)c1 ZINC000096259295 473367978 /nfs/dbraw/zinc/36/79/78/473367978.db2.gz VUJULEPDQBTJIY-UHFFFAOYSA-N 1 1 338.455 2.833 40 0 EFABMO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4cccc(C)c4)C[C@@H]32)C1=O ZINC000096261437 473369151 /nfs/dbraw/zinc/36/91/51/473369151.db2.gz RNBCSWZDKXFBDN-WSTZPKSXSA-N 1 1 325.456 2.856 40 0 EFABMO CCN1C(C)=N[C@@]2(CC[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]32)C1=O ZINC000096261428 473369953 /nfs/dbraw/zinc/36/99/53/473369953.db2.gz HEYMUABOYOYSJG-WSTZPKSXSA-N 1 1 325.456 2.856 40 0 EFABMO COc1ccc(C[N@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)cc1 ZINC000096296468 473372905 /nfs/dbraw/zinc/37/29/05/473372905.db2.gz ZWDTYYYPZXRMNL-GOSISDBHSA-N 1 1 328.412 2.678 40 0 biogenic,in-vitro EFABMO COC1=C[C@]2(C)Oc3c4c(ccc3OC)C[C@@H]3C(=C1)[C@@]42CC[N@H+]3C ZINC000096316410 473375340 /nfs/dbraw/zinc/37/53/40/473375340.db2.gz OCGWLMGQNPQBHG-XPGWFJOJSA-N 1 1 325.408 2.815 40 0 biogenic,in-vitro EFABMO COC(=O)c1ccc(-c2noc(CCCn3cc[nH+]c3C)n2)cc1 ZINC000096405346 473381522 /nfs/dbraw/zinc/38/15/22/473381522.db2.gz FTHQGXLWGVETJS-UHFFFAOYSA-N 1 1 326.356 2.661 40 0 EFABMO COc1ccc(NC(=O)[C@H]2CCCN2c2[nH+]cnc3[nH]ccc32)cc1 ZINC000096405942 473383038 /nfs/dbraw/zinc/38/30/38/473383038.db2.gz JTKMWVSXQBXQPY-OAHLLOKOSA-N 1 1 337.383 2.574 40 0 EFABMO O=C(C[N@@H+](C[C@H](O)c1ccccc1)C1CC1)NCc1cccs1 ZINC000096410359 473389032 /nfs/dbraw/zinc/38/90/32/473389032.db2.gz WYTFVQPRSZEBJW-KRWDZBQOSA-N 1 1 330.453 2.562 40 0 EFABMO O=C(C[N@H+](C[C@H](O)c1ccccc1)C1CC1)NCc1cccs1 ZINC000096410359 473389038 /nfs/dbraw/zinc/38/90/38/473389038.db2.gz WYTFVQPRSZEBJW-KRWDZBQOSA-N 1 1 330.453 2.562 40 0 EFABMO O=C(C[NH+]1CCCCC1)Nc1ccc(I)cc1 ZINC000000172847 471330431 /nfs/dbraw/zinc/33/04/31/471330431.db2.gz XZZIFVKLCAHFRN-UHFFFAOYSA-N 1 1 344.196 2.716 40 0 EFABMO COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000000895630 471377940 /nfs/dbraw/zinc/37/79/40/471377940.db2.gz BHLYRWXGMIUIHG-HNNXBMFYSA-N 1 1 329.396 2.887 40 0 endogenous,in-man EFABMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000002623486 471412686 /nfs/dbraw/zinc/41/26/86/471412686.db2.gz VZSFWPMJOOHIMX-KRWDZBQOSA-N 1 1 332.469 2.885 40 0 EFABMO COc1c(O)ccc2c1-c1c3c(cc4c1[C@H](C2)[N@H+](C)CC4)OCO3 ZINC000003594859 471453743 /nfs/dbraw/zinc/45/37/43/471453743.db2.gz WOIZHRXESCUSGM-LBPRGKRZSA-N 1 1 325.364 2.882 40 0 biogenic,in-vitro EFABMO COc1c(O)ccc2c1-c1c3c(cc4c1[C@H](C2)[N@@H+](C)CC4)OCO3 ZINC000003594859 471453748 /nfs/dbraw/zinc/45/37/48/471453748.db2.gz WOIZHRXESCUSGM-LBPRGKRZSA-N 1 1 325.364 2.882 40 0 biogenic,in-vitro EFABMO COc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004873270 471478357 /nfs/dbraw/zinc/47/83/57/471478357.db2.gz WWHFQRGCCRXFNB-FHLIZLRMSA-N 1 1 342.439 2.982 40 0 EFABMO CC[N@H+]1CC[C@](O)(c2ccc(O)cc2)[C@H](C(=O)c2ccc(O)cc2)C1 ZINC000005807728 471521439 /nfs/dbraw/zinc/52/14/39/471521439.db2.gz MCZXWOOFKFFDNJ-ICSRJNTNSA-N 1 1 341.407 2.510 40 0 EFABMO COc1ccc(COC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1OC ZINC000006001463 471529826 /nfs/dbraw/zinc/52/98/26/471529826.db2.gz POELIHGDXVFHHB-KRWDZBQOSA-N 1 1 337.460 2.846 40 0 EFABMO C[NH+](C)[C@@H](CNC(=O)COc1ccc2c(c1)CCC2)c1ccco1 ZINC000006588915 471551834 /nfs/dbraw/zinc/55/18/34/471551834.db2.gz HOZYYNGMPIMDPY-KRWDZBQOSA-N 1 1 328.412 2.566 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000006953189 471580639 /nfs/dbraw/zinc/58/06/39/471580639.db2.gz GTGLRJXSTVNYAM-JTQLQIEISA-N 1 1 344.242 2.532 40 0 EFABMO C[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCCc2ccccc21 ZINC000008126243 471664252 /nfs/dbraw/zinc/66/42/52/471664252.db2.gz OSJUXWSDWDYSHM-SFHVURJKSA-N 1 1 349.434 2.981 40 0 EFABMO C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCCc2ccccc21 ZINC000008126243 471664257 /nfs/dbraw/zinc/66/42/57/471664257.db2.gz OSJUXWSDWDYSHM-SFHVURJKSA-N 1 1 349.434 2.981 40 0 EFABMO CCc1[nH+]ccn1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000010313971 471733016 /nfs/dbraw/zinc/73/30/16/471733016.db2.gz DOJUQYYVJSRTBU-VQHVLOKHSA-N 1 1 343.427 2.682 40 0 EFABMO O=C1NC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000012183418 471767364 /nfs/dbraw/zinc/76/73/64/471767364.db2.gz VPAWFSJAXCYBGI-UHFFFAOYSA-N 1 1 326.371 2.940 40 0 EFABMO CCn1cc[nH+]c1N1CCN(C(=O)c2ccccc2SC)CC1 ZINC000013693737 471838222 /nfs/dbraw/zinc/83/82/22/471838222.db2.gz DLHZNVFNVAIUHL-UHFFFAOYSA-N 1 1 330.457 2.587 40 0 EFABMO C[N@H+](Cc1ccccc1N1CCOCC1)C[C@H](O)c1ccccc1 ZINC000016425296 471936628 /nfs/dbraw/zinc/93/66/28/471936628.db2.gz LWHZDYUDTGXGAV-FQEVSTJZSA-N 1 1 326.440 2.689 40 0 EFABMO O=C(CCc1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217457 471973605 /nfs/dbraw/zinc/97/36/05/471973605.db2.gz AKUYJCYYUMXHDC-UHFFFAOYSA-N 1 1 338.451 2.768 40 0 EFABMO Cc1ccc([C@@H](O)C[N@H+]2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000019132440 471977352 /nfs/dbraw/zinc/97/73/52/471977352.db2.gz TUGMPZYHTMSJDK-IBGZPJMESA-N 1 1 325.456 2.944 40 0 EFABMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1cnc(N2CCCCC2)nc1 ZINC000019456968 471979981 /nfs/dbraw/zinc/97/99/81/471979981.db2.gz JSTJPAHZTPPKFI-MRXNPFEDSA-N 1 1 325.460 2.925 40 0 EFABMO c1cc(-c2cnc(NCCC[NH+]3CCOCC3)nc2C2CC2)ccn1 ZINC000019405673 471980188 /nfs/dbraw/zinc/98/01/88/471980188.db2.gz UHAISGPBULDDLV-UHFFFAOYSA-N 1 1 339.443 2.550 40 0 EFABMO OCC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019348765 471980508 /nfs/dbraw/zinc/98/05/08/471980508.db2.gz FIISTPAFAQXASX-GJZGRUSLSA-N 1 1 328.378 2.736 40 0 EFABMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCOCC2)nc2c1CCCN2C ZINC000019706226 471982538 /nfs/dbraw/zinc/98/25/38/471982538.db2.gz CLNSAMPCMANAGO-KRWDZBQOSA-N 1 1 330.476 2.873 40 0 EFABMO CC1=C(CC[N@@H+]2Cc3cn(C)nc3[C@H](C(N)=O)C2)C(C)(C)CCC1 ZINC000019701181 471983661 /nfs/dbraw/zinc/98/36/61/471983661.db2.gz DSDAZHOSYJAIGQ-OAHLLOKOSA-N 1 1 330.476 2.721 40 0 EFABMO CN1CCCc2cc(C[N@H+]3CC[C@@H](C(=O)NC4CCCC4)C3)ccc21 ZINC000019747832 471984493 /nfs/dbraw/zinc/98/44/93/471984493.db2.gz DLIMPZBYUUAHLE-GOSISDBHSA-N 1 1 341.499 2.950 40 0 EFABMO CCOc1ccc(/C=C2\NC(=S)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000033493146 471984651 /nfs/dbraw/zinc/98/46/51/471984651.db2.gz DOKREOUOMDANDF-VBKFSLOCSA-N 1 1 345.468 2.586 40 0 EFABMO C/C=C1\C[N@@H+]2CC[C@]34c5cc(O)ccc5NC3=C(C(=O)OC)[C@H]1C[C@H]24 ZINC000033953238 471987471 /nfs/dbraw/zinc/98/74/71/471987471.db2.gz BVYFBTHLXBZJTR-DQRCLVLDSA-N 1 1 338.407 2.537 40 0 EFABMO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000036025343 471997988 /nfs/dbraw/zinc/99/79/88/471997988.db2.gz VECLMGKGWXLRCE-GRUVHVDGSA-N 1 1 327.509 2.934 40 0 EFABMO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)s1 ZINC000023976902 472041259 /nfs/dbraw/zinc/04/12/59/472041259.db2.gz MPTLBOSLADUORW-NSHDSACASA-N 1 1 330.500 2.699 40 0 EFABMO CC[N@H+](Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000024829572 472069871 /nfs/dbraw/zinc/06/98/71/472069871.db2.gz UNCFWHHNIVZMEO-SFHVURJKSA-N 1 1 338.407 2.849 40 0 EFABMO CC[N@@H+](Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000024829572 472069877 /nfs/dbraw/zinc/06/98/77/472069877.db2.gz UNCFWHHNIVZMEO-SFHVURJKSA-N 1 1 338.407 2.849 40 0 EFABMO CC(C)[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000041869242 472092074 /nfs/dbraw/zinc/09/20/74/472092074.db2.gz PPNFQKPFWLDXLL-OAHLLOKOSA-N 1 1 344.377 2.792 40 0 EFABMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000025368670 472093187 /nfs/dbraw/zinc/09/31/87/472093187.db2.gz SGSAEOMMBTURCY-INIZCTEOSA-N 1 1 329.396 2.595 40 0 EFABMO CC(=O)N1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000075587343 472162649 /nfs/dbraw/zinc/16/26/49/472162649.db2.gz CZOYFADWDYMYLG-UHFFFAOYSA-N 1 1 330.350 2.682 40 0 EFABMO COc1ccc([C@](O)(CC[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000027346270 472172227 /nfs/dbraw/zinc/17/22/27/472172227.db2.gz DSCQDLLNKJHKSC-NRFANRHFSA-N 1 1 341.451 2.962 40 0 EFABMO COc1cccc([C@@H](C)CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000084578496 472195038 /nfs/dbraw/zinc/19/50/38/472195038.db2.gz YZKYUJSSIZDCMI-QFBILLFUSA-N 1 1 346.471 2.512 40 0 EFABMO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccs1 ZINC000028288316 472221686 /nfs/dbraw/zinc/22/16/86/472221686.db2.gz DRSALNZMLJJQED-ZDUSSCGKSA-N 1 1 342.420 2.887 40 0 EFABMO Cc1ccc([C@H](CNC(=O)c2ccc(C)cc2)N2CC[NH+](C)CC2)o1 ZINC000028405185 472224447 /nfs/dbraw/zinc/22/44/47/472224447.db2.gz MFZNNEUIJDXHOQ-SFHVURJKSA-N 1 1 341.455 2.615 40 0 EFABMO c1ccc(O[C@H]2COCC[N@@H+](Cc3cccc4c3OCO4)C2)cc1 ZINC000085435974 472247629 /nfs/dbraw/zinc/24/76/29/472247629.db2.gz ODSJVSGZKIEQLW-QGZVFWFLSA-N 1 1 327.380 2.695 40 0 biogenic,in-vitro EFABMO c1ccc(O[C@H]2COCC[N@H+](Cc3cccc4c3OCO4)C2)cc1 ZINC000085435974 472247637 /nfs/dbraw/zinc/24/76/37/472247637.db2.gz ODSJVSGZKIEQLW-QGZVFWFLSA-N 1 1 327.380 2.695 40 0 biogenic,in-vitro EFABMO O=C1N(Cc2ccccc2)C[C@H]2C[N@H+](Cc3cccs3)CCN12 ZINC000085436170 472248301 /nfs/dbraw/zinc/24/83/01/472248301.db2.gz IICLOGNXFWLWEJ-MRXNPFEDSA-N 1 1 327.453 2.870 40 0 biogenic,in-vitro EFABMO O=C1N(Cc2ccccc2)C[C@H]2C[N@@H+](Cc3cccs3)CCN12 ZINC000085436170 472248309 /nfs/dbraw/zinc/24/83/09/472248309.db2.gz IICLOGNXFWLWEJ-MRXNPFEDSA-N 1 1 327.453 2.870 40 0 biogenic,in-vitro EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H]3CCCCO3)CC2)cc1 ZINC000087052221 472301135 /nfs/dbraw/zinc/30/11/35/472301135.db2.gz HMUVZGNUPUSNNX-IBGZPJMESA-N 1 1 346.471 2.689 40 0 EFABMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1Cc2ccccc2O1 ZINC000029897708 472303442 /nfs/dbraw/zinc/30/34/42/472303442.db2.gz TYRRMCAHGPYUKT-LPHOPBHVSA-N 1 1 340.423 2.927 40 0 EFABMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000030499622 472334884 /nfs/dbraw/zinc/33/48/84/472334884.db2.gz YIVFDGFGSXWCDB-LJQANCHMSA-N 1 1 344.480 2.757 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cc1cccnc1 ZINC000076480430 472353223 /nfs/dbraw/zinc/35/32/23/472353223.db2.gz GNLSMPCFSDFWLS-XLIONFOSSA-N 1 1 337.467 2.993 40 0 EFABMO C[NH+]1CCN(C(=S)N(C(=O)c2ccco2)C2CCCCC2)CC1 ZINC000031852187 472400247 /nfs/dbraw/zinc/40/02/47/472400247.db2.gz YFXSBNPBCFCQNI-UHFFFAOYSA-N 1 1 335.473 2.587 40 0 EFABMO Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)s1 ZINC000076981451 472437644 /nfs/dbraw/zinc/43/76/44/472437644.db2.gz OEZHILIETPXKMN-DOMZBBRYSA-N 1 1 336.505 2.947 40 0 EFABMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1cnccn1 ZINC000089555740 472458370 /nfs/dbraw/zinc/45/83/70/472458370.db2.gz NAHLFUOVKINFRP-AEFFLSMTSA-N 1 1 338.455 2.751 40 0 EFABMO CNc1ncc(C[N@@H+](Cc2ccc(OC)cc2)C[C@H]2CCCO2)cn1 ZINC000057811314 472477623 /nfs/dbraw/zinc/47/76/23/472477623.db2.gz PGRHBYJJROOATI-GOSISDBHSA-N 1 1 342.443 2.708 40 0 EFABMO CNc1ncc(C[N@H+](Cc2ccc(OC)cc2)C[C@H]2CCCO2)cn1 ZINC000057811314 472477632 /nfs/dbraw/zinc/47/76/32/472477632.db2.gz PGRHBYJJROOATI-GOSISDBHSA-N 1 1 342.443 2.708 40 0 EFABMO Cn1cc(CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cn1 ZINC000097229527 472484081 /nfs/dbraw/zinc/48/40/81/472484081.db2.gz IPATYZVRYWRMDX-SJPCQFCGSA-N 1 1 348.491 2.825 40 0 EFABMO CSCC[C@H](C)NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000077666673 472579666 /nfs/dbraw/zinc/57/96/66/472579666.db2.gz KVMTXARYVKUYCX-AWEZNQCLSA-N 1 1 336.505 2.800 40 0 EFABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000046960532 472632749 /nfs/dbraw/zinc/63/27/49/472632749.db2.gz PGHBYXHEWJIUMG-MRXNPFEDSA-N 1 1 343.471 2.665 40 0 EFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1 ZINC000072227697 472634198 /nfs/dbraw/zinc/63/41/98/472634198.db2.gz AXKXJSLYZXAIMO-CVEARBPZSA-N 1 1 330.771 2.526 40 0 EFABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216388 472634386 /nfs/dbraw/zinc/63/43/86/472634386.db2.gz IJRFQNKSNXWOPR-MRXNPFEDSA-N 1 1 346.475 2.905 40 0 EFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1Cl ZINC000072227690 472635140 /nfs/dbraw/zinc/63/51/40/472635140.db2.gz DJYCJPQFAIWNAT-JKSUJKDBSA-N 1 1 330.771 2.526 40 0 EFABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227890 472636013 /nfs/dbraw/zinc/63/60/13/472636013.db2.gz RBBYGEUSYVMVKH-JKSUJKDBSA-N 1 1 332.787 2.772 40 0 EFABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)s1 ZINC000072228133 472636502 /nfs/dbraw/zinc/63/65/02/472636502.db2.gz FMURDHUJADJDSI-OLZOCXBDSA-N 1 1 337.242 2.921 40 0 EFABMO CCc1c(Cl)nc(C)nc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000078294904 472689196 /nfs/dbraw/zinc/68/91/96/472689196.db2.gz PMHKJMKHEJKEPD-UHFFFAOYSA-N 1 1 338.883 2.692 40 0 EFABMO COc1cccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1OC ZINC000047416499 472707067 /nfs/dbraw/zinc/70/70/67/472707067.db2.gz BNUSGXNMKDGQQP-GASCZTMLSA-N 1 1 334.460 2.802 40 0 EFABMO COc1ccc(-c2ccc(CNC(=O)[C@@H]3CSC[NH2+]3)s2)cc1 ZINC000120604701 472716430 /nfs/dbraw/zinc/71/64/30/472716430.db2.gz QTDBMLSZTHGSSL-AWEZNQCLSA-N 1 1 334.466 2.702 40 0 EFABMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2-c2ccccc2)C1 ZINC000078572307 472735208 /nfs/dbraw/zinc/73/52/08/472735208.db2.gz PQAGBGPINKEMKJ-MRXNPFEDSA-N 1 1 344.480 2.974 40 0 EFABMO C[C@H](CNC(=O)N[C@@H](C)c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000048069262 472809843 /nfs/dbraw/zinc/80/98/43/472809843.db2.gz KEGBZQNPBPUPRN-CVEARBPZSA-N 1 1 338.455 2.889 40 0 EFABMO Oc1ccc(Br)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856527 472818710 /nfs/dbraw/zinc/81/87/10/472818710.db2.gz WHGWAUVUKDLTFP-UONOGXRCSA-N 1 1 344.274 2.861 40 0 EFABMO Oc1ccc(Br)c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856527 472818717 /nfs/dbraw/zinc/81/87/17/472818717.db2.gz WHGWAUVUKDLTFP-UONOGXRCSA-N 1 1 344.274 2.861 40 0 EFABMO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000048190130 472828468 /nfs/dbraw/zinc/82/84/68/472828468.db2.gz FXJAPPLTXBVPQD-QGZVFWFLSA-N 1 1 348.487 2.724 40 0 EFABMO CCc1ncsc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000157687977 472848546 /nfs/dbraw/zinc/84/85/46/472848546.db2.gz DQLXYBBHHLTIJL-HNNXBMFYSA-N 1 1 345.468 2.935 40 0 EFABMO CCc1ncsc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000157687977 472848548 /nfs/dbraw/zinc/84/85/48/472848548.db2.gz DQLXYBBHHLTIJL-HNNXBMFYSA-N 1 1 345.468 2.935 40 0 EFABMO NC(=O)c1cccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4F)C3)nc21 ZINC000049171121 472934098 /nfs/dbraw/zinc/93/40/98/472934098.db2.gz HQMGTXCMTIYUBN-ZDUSSCGKSA-N 1 1 338.386 2.790 40 0 biogenic,in-vitro EFABMO NC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4ccccc4F)C3)[nH]c21 ZINC000049171121 472934103 /nfs/dbraw/zinc/93/41/03/472934103.db2.gz HQMGTXCMTIYUBN-ZDUSSCGKSA-N 1 1 338.386 2.790 40 0 biogenic,in-vitro EFABMO NC(=O)c1cccc2nc([C@H]3CC[N@@H+](Cc4ccccc4F)C3)[nH]c21 ZINC000049171121 472934106 /nfs/dbraw/zinc/93/41/06/472934106.db2.gz HQMGTXCMTIYUBN-ZDUSSCGKSA-N 1 1 338.386 2.790 40 0 biogenic,in-vitro EFABMO Cc1ccc(-c2nnc([C@H]3CC[N@H+](C4CCN(C)CC4)C3)o2)cc1 ZINC000049169934 472934154 /nfs/dbraw/zinc/93/41/54/472934154.db2.gz FSIMBEFXAUQITP-INIZCTEOSA-N 1 1 326.444 2.929 40 0 biogenic,in-vitro EFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107226748 472934880 /nfs/dbraw/zinc/93/48/80/472934880.db2.gz WDNLJTAXRWXEAW-CRAIPNDOSA-N 1 1 344.484 2.716 40 0 EFABMO C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](COCc3ccccc3)C2)C1 ZINC000074160594 472952109 /nfs/dbraw/zinc/95/21/09/472952109.db2.gz JLPJSNZCSGRQRN-OALUTQOASA-N 1 1 345.487 2.577 40 0 EFABMO c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)nc1 ZINC000107712625 472977352 /nfs/dbraw/zinc/97/73/52/472977352.db2.gz PSWGALZZAPIARI-ICSRJNTNSA-N 1 1 339.439 2.927 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 ZINC000107730477 472978824 /nfs/dbraw/zinc/97/88/24/472978824.db2.gz LJPPRQLPFMBQDS-IEBWSBKVSA-N 1 1 344.434 2.795 40 0 EFABMO Cn1ccnc1C[N@H+]1CCC[C@@]2(C[C@@H](Nc3cccc(F)c3)CO2)C1 ZINC000107730477 472978829 /nfs/dbraw/zinc/97/88/29/472978829.db2.gz LJPPRQLPFMBQDS-IEBWSBKVSA-N 1 1 344.434 2.795 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](Cn4ccnc4)CO3)C2)s1 ZINC000107738957 472979524 /nfs/dbraw/zinc/97/95/24/472979524.db2.gz CWWDOTJNCULINI-FUHWJXTLSA-N 1 1 347.484 2.561 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(CC[C@@H](C[N@@H+](C)C(C)C)O3)C2)o1 ZINC000107739556 472979766 /nfs/dbraw/zinc/97/97/66/472979766.db2.gz QTWXDAAEOHVMCC-OALUTQOASA-N 1 1 336.476 2.678 40 0 EFABMO Cc1ccc(CN2CCOC[C@]3(CC[C@@H](C[N@H+](C)C(C)C)O3)C2)o1 ZINC000107739556 472979773 /nfs/dbraw/zinc/97/97/73/472979773.db2.gz QTWXDAAEOHVMCC-OALUTQOASA-N 1 1 336.476 2.678 40 0 EFABMO CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000107738645 472979887 /nfs/dbraw/zinc/97/98/87/472979887.db2.gz JIPAKPKOORNZOM-ZWKOTPCHSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000107738645 472979893 /nfs/dbraw/zinc/97/98/93/472979893.db2.gz JIPAKPKOORNZOM-ZWKOTPCHSA-N 1 1 338.517 2.696 40 0 EFABMO c1csc(C[N@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000107747236 472979918 /nfs/dbraw/zinc/97/99/18/472979918.db2.gz LJMCCLRYLNEQDI-IMJJTQAJSA-N 1 1 331.441 2.597 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H]2CC[C@H]3COc2ncccn2)c1 ZINC000107747236 472979924 /nfs/dbraw/zinc/97/99/24/472979924.db2.gz LJMCCLRYLNEQDI-IMJJTQAJSA-N 1 1 331.441 2.597 40 0 EFABMO COCCNC(=O)[C@@H]1CCC[C@]12CC[N@@H+](Cc1ccccc1F)C2 ZINC000108528744 473035285 /nfs/dbraw/zinc/03/52/85/473035285.db2.gz HCMCOVBFOGMSKY-QFBILLFUSA-N 1 1 334.435 2.581 40 0 EFABMO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccncc1)C2)N1CC(F)(F)C1 ZINC000108529791 473036058 /nfs/dbraw/zinc/03/60/58/473036058.db2.gz KPEKXFLAKMCUPB-NVXWUHKLSA-N 1 1 335.398 2.551 40 0 EFABMO O=C(NC1CC(F)(F)C1)[C@H]1CCC[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000108529783 473036216 /nfs/dbraw/zinc/03/62/16/473036216.db2.gz MFUPHFMPOXFAMN-SJLPKXTDSA-N 1 1 349.425 2.988 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)/C=C/c1cccnc1 ZINC000110597941 473164824 /nfs/dbraw/zinc/16/48/24/473164824.db2.gz QHPXNKXRGHIMAE-BOYOMHKPSA-N 1 1 336.439 2.517 40 0 EFABMO O=C(c1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000110686295 473170738 /nfs/dbraw/zinc/17/07/38/473170738.db2.gz RDSUPURHQBAGSY-ULFGMLNVSA-N 1 1 327.403 2.863 40 0 EFABMO C[C@H](c1ccccc1)n1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)n1 ZINC000110698994 473171895 /nfs/dbraw/zinc/17/18/95/473171895.db2.gz KPKDQJFCCUBMLL-ZBFHGGJFSA-N 1 1 344.484 2.868 40 0 EFABMO C[C@H](c1ccccc1)n1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)n1 ZINC000110698994 473171898 /nfs/dbraw/zinc/17/18/98/473171898.db2.gz KPKDQJFCCUBMLL-ZBFHGGJFSA-N 1 1 344.484 2.868 40 0 EFABMO C[C@H]1C[C@@H](NCc2nnc3ccccn32)C[N@@H+](Cc2ccccc2)C1 ZINC000136893057 473183434 /nfs/dbraw/zinc/18/34/34/473183434.db2.gz AEEXITJTXLTQPL-FUHWJXTLSA-N 1 1 335.455 2.730 40 0 EFABMO C[C@H]1C[C@@H]([NH2+]Cc2nnc3ccccn32)CN(Cc2ccccc2)C1 ZINC000136893057 473183440 /nfs/dbraw/zinc/18/34/40/473183440.db2.gz AEEXITJTXLTQPL-FUHWJXTLSA-N 1 1 335.455 2.730 40 0 EFABMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000096414386 473393707 /nfs/dbraw/zinc/39/37/07/473393707.db2.gz RMYPVFHIYFFKQR-INIZCTEOSA-N 1 1 338.411 2.757 40 0 EFABMO C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000096414386 473393713 /nfs/dbraw/zinc/39/37/13/473393713.db2.gz RMYPVFHIYFFKQR-INIZCTEOSA-N 1 1 338.411 2.757 40 0 EFABMO O=C(N1CCC[N@H+](C2CCOCC2)CC1)C1(c2ccccc2)CCC1 ZINC000096414578 473393859 /nfs/dbraw/zinc/39/38/59/473393859.db2.gz AUTLOPKAMQYCCI-UHFFFAOYSA-N 1 1 342.483 2.822 40 0 EFABMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414887 473394033 /nfs/dbraw/zinc/39/40/33/473394033.db2.gz GBWPDXUUCNYZKI-WBVHZDCISA-N 1 1 339.439 2.584 40 0 EFABMO COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(c2ccnn2C)CC1 ZINC000162903887 473394424 /nfs/dbraw/zinc/39/44/24/473394424.db2.gz HVWOIKDOAPKBBA-GOSISDBHSA-N 1 1 327.428 2.822 40 0 EFABMO COc1ccc([C@H]2C[C@H](C)[N@@H+](CC(=O)Nc3c(C)n[nH]c3C)C2)cc1 ZINC000096414892 473394730 /nfs/dbraw/zinc/39/47/30/473394730.db2.gz HZCOUIMAMBKLQS-LRDDRELGSA-N 1 1 342.443 2.852 40 0 EFABMO Cc1ccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000096418701 473397935 /nfs/dbraw/zinc/39/79/35/473397935.db2.gz XPIOZIGQBVOOHE-CQSZACIVSA-N 1 1 338.883 2.653 40 0 EFABMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1csnn1 ZINC000096423827 473402348 /nfs/dbraw/zinc/40/23/48/473402348.db2.gz JEDQRPBCCDOMGE-UHFFFAOYSA-N 1 1 342.424 2.693 40 0 EFABMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1csnn1 ZINC000096423827 473402354 /nfs/dbraw/zinc/40/23/54/473402354.db2.gz JEDQRPBCCDOMGE-UHFFFAOYSA-N 1 1 342.424 2.693 40 0 EFABMO COc1cccc(CCCN2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000096424482 473402826 /nfs/dbraw/zinc/40/28/26/473402826.db2.gz ICYGCEYEAJFCJK-UHFFFAOYSA-N 1 1 332.488 2.815 40 0 EFABMO COc1cccc(CCC[N@@H+]2CCCN(C3CCOCC3)CC2)c1 ZINC000096424482 473402833 /nfs/dbraw/zinc/40/28/33/473402833.db2.gz ICYGCEYEAJFCJK-UHFFFAOYSA-N 1 1 332.488 2.815 40 0 EFABMO COc1cccc(CCC[N@H+]2CCCN(C3CCOCC3)CC2)c1 ZINC000096424482 473402840 /nfs/dbraw/zinc/40/28/40/473402840.db2.gz ICYGCEYEAJFCJK-UHFFFAOYSA-N 1 1 332.488 2.815 40 0 EFABMO O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCc1ccsc1 ZINC000096427142 473406380 /nfs/dbraw/zinc/40/63/80/473406380.db2.gz VSURNPTUQOYOFT-KRWDZBQOSA-N 1 1 330.453 2.655 40 0 EFABMO O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCc1ccsc1 ZINC000096427142 473406388 /nfs/dbraw/zinc/40/63/88/473406388.db2.gz VSURNPTUQOYOFT-KRWDZBQOSA-N 1 1 330.453 2.655 40 0 EFABMO O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000096431852 473410865 /nfs/dbraw/zinc/41/08/65/473410865.db2.gz RJXAZHQCEUGRAT-MRXNPFEDSA-N 1 1 346.475 2.650 40 0 EFABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1cccnc1 ZINC000096431361 473410950 /nfs/dbraw/zinc/41/09/50/473410950.db2.gz GHIYPBFOLJSSIW-LJQANCHMSA-N 1 1 338.455 2.745 40 0 EFABMO C[C@H]1CCN(C(=O)CC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000096433127 473411805 /nfs/dbraw/zinc/41/18/05/473411805.db2.gz RNBTYKOFADXXDY-KRWDZBQOSA-N 1 1 330.472 2.926 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)nc1 ZINC000096437426 473416593 /nfs/dbraw/zinc/41/65/93/473416593.db2.gz RZNQCIMIGGOBHV-GOSISDBHSA-N 1 1 344.503 2.738 40 0 EFABMO C[C@H]1C[C@H](NCc2ccccc2C[N@@H+](C)Cc2ccco2)C(=O)O1 ZINC000096437126 473416728 /nfs/dbraw/zinc/41/67/28/473416728.db2.gz DBXJAZGNDQBWLM-KSSFIOAISA-N 1 1 328.412 2.705 40 0 EFABMO COc1cccc(C[C@H](C)NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000096440180 473418523 /nfs/dbraw/zinc/41/85/23/473418523.db2.gz LLVSTBYCGVJZQS-MIGBEJBISA-N 1 1 345.487 2.941 40 0 EFABMO Cc1cnc(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000096440066 473418559 /nfs/dbraw/zinc/41/85/59/473418559.db2.gz RRMWKBGDEOUPBP-CYBMUJFWSA-N 1 1 332.473 2.771 40 0 EFABMO CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000096439887 473419131 /nfs/dbraw/zinc/41/91/31/473419131.db2.gz GYXGQRAMSJKWEF-HNNXBMFYSA-N 1 1 329.448 2.573 40 0 EFABMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(Cc1ccc(O)cc1)CC1CC1 ZINC000096443994 473421781 /nfs/dbraw/zinc/42/17/81/473421781.db2.gz ZTLMMPOBYKKATA-QZTJIDSGSA-N 1 1 343.471 2.941 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000096445549 473423332 /nfs/dbraw/zinc/42/33/32/473423332.db2.gz FCALPMOWVWGKNR-JXFKEZNVSA-N 1 1 347.478 2.763 40 0 EFABMO Cn1cc(C[C@@H]2CC[N@H+](Cc3nnc(-c4cccs4)o3)C2)cn1 ZINC000096447071 473424839 /nfs/dbraw/zinc/42/48/39/473424839.db2.gz LEBAMTLWBZBXMU-LBPRGKRZSA-N 1 1 329.429 2.596 40 0 EFABMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3nnc(-c4cccs4)o3)C2)cn1 ZINC000096447071 473424846 /nfs/dbraw/zinc/42/48/46/473424846.db2.gz LEBAMTLWBZBXMU-LBPRGKRZSA-N 1 1 329.429 2.596 40 0 EFABMO CCC[N@H+]1CCCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CC1 ZINC000096451283 473427898 /nfs/dbraw/zinc/42/78/98/473427898.db2.gz KMFOAJNPYTWESU-UHFFFAOYSA-N 1 1 339.439 2.804 40 0 EFABMO CS(=O)(=O)c1ccc(OCCNc2cc[nH+]cc2Cl)cc1 ZINC000096454011 473429807 /nfs/dbraw/zinc/42/98/07/473429807.db2.gz YWLKUWFANYRABF-UHFFFAOYSA-N 1 1 326.805 2.629 40 0 EFABMO O=C(NC[C@H](O)c1ccsc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096456294 473431978 /nfs/dbraw/zinc/43/19/78/473431978.db2.gz WPGRGNZQFFGDCS-IRXDYDNUSA-N 1 1 348.443 2.701 40 0 EFABMO O=C(NC[C@H](O)c1ccsc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000096456294 473431983 /nfs/dbraw/zinc/43/19/83/473431983.db2.gz WPGRGNZQFFGDCS-IRXDYDNUSA-N 1 1 348.443 2.701 40 0 EFABMO COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000096461727 473433826 /nfs/dbraw/zinc/43/38/26/473433826.db2.gz NMEGGOYHCIZRTR-LSDHHAIUSA-N 1 1 335.448 2.635 40 0 EFABMO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000096461936 473434371 /nfs/dbraw/zinc/43/43/71/473434371.db2.gz DAXGSWATMUXOHS-KSSFIOAISA-N 1 1 336.863 2.972 40 0 EFABMO CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000096473626 473436947 /nfs/dbraw/zinc/43/69/47/473436947.db2.gz DPGVMIAPVMTGTQ-QGTPRVQTSA-N 1 1 332.444 2.533 40 0 EFABMO Cc1cnc(N2CCC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc1C ZINC000096486640 473444573 /nfs/dbraw/zinc/44/45/73/473444573.db2.gz VZLQZIPBGNMELX-GOSISDBHSA-N 1 1 325.460 2.837 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485941 473445144 /nfs/dbraw/zinc/44/51/44/473445144.db2.gz WQHOGAYPOLSXLI-KCXAZCMYSA-N 1 1 340.826 2.767 40 0 EFABMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]([C@@H]4CCN(C5CC5)C4=O)C3)nc2c1 ZINC000096490642 473446024 /nfs/dbraw/zinc/44/60/24/473446024.db2.gz JZVVMKUCLPCLNV-KBXCAEBGSA-N 1 1 338.455 2.814 40 0 EFABMO Cc1ccc2nc([C@H]3CCC[N@@H+]([C@@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000096490642 473446031 /nfs/dbraw/zinc/44/60/31/473446031.db2.gz JZVVMKUCLPCLNV-KBXCAEBGSA-N 1 1 338.455 2.814 40 0 EFABMO Cc1ccc2nc([C@H]3CCC[N@H+]([C@@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1 ZINC000096490642 473446036 /nfs/dbraw/zinc/44/60/36/473446036.db2.gz JZVVMKUCLPCLNV-KBXCAEBGSA-N 1 1 338.455 2.814 40 0 EFABMO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000096489777 473446599 /nfs/dbraw/zinc/44/65/99/473446599.db2.gz NPVZITLVKOFLNQ-CYBMUJFWSA-N 1 1 334.445 2.849 40 0 EFABMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000096489777 473446604 /nfs/dbraw/zinc/44/66/04/473446604.db2.gz NPVZITLVKOFLNQ-CYBMUJFWSA-N 1 1 334.445 2.849 40 0 EFABMO CC(C)[N@@H+](Cc1nc2ccccc2c(=O)n1C)C[C@@H]1CCCCO1 ZINC000096493127 473449139 /nfs/dbraw/zinc/44/91/39/473449139.db2.gz ZFDMUWKTWOWMPB-HNNXBMFYSA-N 1 1 329.444 2.713 40 0 EFABMO CC(C)[N@H+](Cc1nc2ccccc2c(=O)n1C)C[C@@H]1CCCCO1 ZINC000096493127 473449143 /nfs/dbraw/zinc/44/91/43/473449143.db2.gz ZFDMUWKTWOWMPB-HNNXBMFYSA-N 1 1 329.444 2.713 40 0 EFABMO C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cnccn1 ZINC000177907800 473449707 /nfs/dbraw/zinc/44/97/07/473449707.db2.gz PAYBJXOEWXNIRG-JTQLQIEISA-N 1 1 335.205 2.528 40 0 EFABMO Cc1ccc(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000096503123 473454899 /nfs/dbraw/zinc/45/48/99/473454899.db2.gz CIFBGRACDXOUCQ-KXBFYZLASA-N 1 1 338.455 2.710 40 0 EFABMO CC(=O)N1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C(C)(C)C1 ZINC000192163178 473640494 /nfs/dbraw/zinc/64/04/94/473640494.db2.gz ICBBGXOCGIAPCW-UHFFFAOYSA-N 1 1 326.444 2.623 40 0 EFABMO COc1ccccc1N1CC[C@@H]([N@H+](C)[C@H](C)c2ccncc2)C1=O ZINC000192710706 473711296 /nfs/dbraw/zinc/71/12/96/473711296.db2.gz ASZIWCSFJUBEGO-RHSMWYFYSA-N 1 1 325.412 2.889 40 0 EFABMO COc1ccccc1N1CC[C@@H]([N@@H+](C)[C@H](C)c2ccncc2)C1=O ZINC000192710706 473711308 /nfs/dbraw/zinc/71/13/08/473711308.db2.gz ASZIWCSFJUBEGO-RHSMWYFYSA-N 1 1 325.412 2.889 40 0 EFABMO C[C@@H]1CN(CC[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000192761959 473719996 /nfs/dbraw/zinc/71/99/96/473719996.db2.gz IUPQPMYXKPLPMG-CVEARBPZSA-N 1 1 349.544 2.922 40 0 EFABMO Cc1ccc(F)cc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000180104006 473799956 /nfs/dbraw/zinc/79/99/56/473799956.db2.gz CVQIZEUBAQZJJW-UHFFFAOYSA-N 1 1 330.451 2.927 40 0 EFABMO Cc1ccc(F)cc1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000180104006 473799964 /nfs/dbraw/zinc/79/99/64/473799964.db2.gz CVQIZEUBAQZJJW-UHFFFAOYSA-N 1 1 330.451 2.927 40 0 EFABMO Cc1cc(C)c(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000188181880 474011813 /nfs/dbraw/zinc/01/18/13/474011813.db2.gz HZFSQLCAOODZBT-HXUWFJFHSA-N 1 1 342.439 2.605 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2nc(C(C)(C)C)no2)C1 ZINC000195278338 474046116 /nfs/dbraw/zinc/04/61/16/474046116.db2.gz HFVBVICJXSMWSQ-MRXNPFEDSA-N 1 1 343.475 2.716 40 0 EFABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C1=COCC1 ZINC000195547784 474092625 /nfs/dbraw/zinc/09/26/25/474092625.db2.gz IXPXCEWWDKYHOB-KRWDZBQOSA-N 1 1 330.428 2.509 40 0 EFABMO Cn1cc([C@@](C)(O)C[NH2+][C@H](c2ccco2)c2ccc(F)cc2)cn1 ZINC000195560695 474095704 /nfs/dbraw/zinc/09/57/04/474095704.db2.gz FAVPJIYKFPUPLQ-ROUUACIJSA-N 1 1 329.375 2.739 40 0 EFABMO COc1ccc(CCC[NH+]2CCN(C(=O)c3ccoc3)CC2)cc1F ZINC000195572823 474099348 /nfs/dbraw/zinc/09/93/48/474099348.db2.gz QUTMXZQZUYCIPT-UHFFFAOYSA-N 1 1 346.402 2.818 40 0 EFABMO CC[NH+]1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000223738410 474190733 /nfs/dbraw/zinc/19/07/33/474190733.db2.gz BMEFUADEACQWGL-UHFFFAOYSA-N 1 1 330.856 2.876 40 0 EFABMO C[NH+]1CCN(c2ncc(NC(=O)Nc3ccccc3Cl)cn2)CC1 ZINC000224267122 474196204 /nfs/dbraw/zinc/19/62/04/474196204.db2.gz ILQRBKITMLQCCB-UHFFFAOYSA-N 1 1 346.822 2.526 40 0 EFABMO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccncc2)n1 ZINC000247816087 474212154 /nfs/dbraw/zinc/21/21/54/474212154.db2.gz BFICGVMMCWLPSY-JFIYKMOQSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccncc2)n1 ZINC000247816087 474212160 /nfs/dbraw/zinc/21/21/60/474212160.db2.gz BFICGVMMCWLPSY-JFIYKMOQSA-N 1 1 345.468 2.734 40 0 EFABMO c1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)ccn1 ZINC000247815358 474213191 /nfs/dbraw/zinc/21/31/91/474213191.db2.gz AVZREZMNLNSHHJ-KRWDZBQOSA-N 1 1 334.485 2.585 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@@H+]3Cc2ccncc2)n1 ZINC000247816094 474214765 /nfs/dbraw/zinc/21/47/65/474214765.db2.gz BFICGVMMCWLPSY-XYJFISCASA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@@H]2CC[C@H]3[C@@H]2OCC[N@H+]3Cc2ccncc2)n1 ZINC000247816094 474214773 /nfs/dbraw/zinc/21/47/73/474214773.db2.gz BFICGVMMCWLPSY-XYJFISCASA-N 1 1 345.468 2.734 40 0 EFABMO c1c[nH]c(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC000247840127 474215599 /nfs/dbraw/zinc/21/55/99/474215599.db2.gz KOZPOQQUUSWWFA-YSVLISHTSA-N 1 1 333.457 2.667 40 0 EFABMO c1c[nH]c(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)c1 ZINC000247840127 474215606 /nfs/dbraw/zinc/21/56/06/474215606.db2.gz KOZPOQQUUSWWFA-YSVLISHTSA-N 1 1 333.457 2.667 40 0 EFABMO O=C1OC[C@@H]2CC[N@@H+](Cc3cccnc3)Cc3ccc(F)cc3N12 ZINC000225484596 474216737 /nfs/dbraw/zinc/21/67/37/474216737.db2.gz MDXDZBYHHAYXGL-INIZCTEOSA-N 1 1 327.359 2.952 40 0 biogenic,in-vitro EFABMO O=C1OC[C@@H]2CC[N@H+](Cc3cccnc3)Cc3ccc(F)cc3N12 ZINC000225484596 474216743 /nfs/dbraw/zinc/21/67/43/474216743.db2.gz MDXDZBYHHAYXGL-INIZCTEOSA-N 1 1 327.359 2.952 40 0 biogenic,in-vitro EFABMO c1csc(C[N@H+]2CCO[C@@H]3[C@H](CNc4ncccn4)CC[C@@H]32)c1 ZINC000247850391 474217465 /nfs/dbraw/zinc/21/74/65/474217465.db2.gz VFJWLLKCEJOQGG-CWRNSKLLSA-N 1 1 330.457 2.630 40 0 EFABMO c1csc(C[N@@H+]2CCO[C@@H]3[C@H](CNc4ncccn4)CC[C@@H]32)c1 ZINC000247850391 474217473 /nfs/dbraw/zinc/21/74/73/474217473.db2.gz VFJWLLKCEJOQGG-CWRNSKLLSA-N 1 1 330.457 2.630 40 0 EFABMO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccccc1C)C2 ZINC000225494811 474217948 /nfs/dbraw/zinc/21/79/48/474217948.db2.gz BZETYTBBEJBBPT-IBGZPJMESA-N 1 1 325.456 2.901 40 0 biogenic,in-vitro EFABMO CN1c2ncccc2C[N@H+](Cc2c[nH]c3ccccc23)CC[C@H]1CO ZINC000225492550 474218275 /nfs/dbraw/zinc/21/82/75/474218275.db2.gz DYQVGQDACDQLNE-KRWDZBQOSA-N 1 1 336.439 2.766 40 0 biogenic,in-vitro EFABMO Cc1ccc2c([nH+]1)N(C)[C@H](CO)CCN(C(=O)Nc1ccccc1)C2 ZINC000225495454 474218633 /nfs/dbraw/zinc/21/86/33/474218633.db2.gz PRPAFDHOMFODNP-KRWDZBQOSA-N 1 1 340.427 2.625 40 0 biogenic,in-vitro EFABMO C[N@@H+](CC[C@@H]1CCCO1)CC(=O)Nc1ccccc1Br ZINC000225528568 474221253 /nfs/dbraw/zinc/22/12/53/474221253.db2.gz IIBPZENTRVRTJU-LBPRGKRZSA-N 1 1 341.249 2.889 40 0 EFABMO Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC000225522627 474221414 /nfs/dbraw/zinc/22/14/14/474221414.db2.gz LRGGKSLNPZNJMS-INIZCTEOSA-N 1 1 336.439 2.903 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3Cc2ccoc2)n1 ZINC000247885532 474222083 /nfs/dbraw/zinc/22/20/83/474222083.db2.gz RNJSETOEHWTZSP-UXLLHSPISA-N 1 1 334.441 2.932 40 0 EFABMO c1csc(COC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3Cc2ccoc2)n1 ZINC000247885532 474222092 /nfs/dbraw/zinc/22/20/92/474222092.db2.gz RNJSETOEHWTZSP-UXLLHSPISA-N 1 1 334.441 2.932 40 0 EFABMO COc1cccc(-c2noc(N3CCC[C@H]3Cn3cc[nH+]c3C)n2)c1 ZINC000225598439 474227810 /nfs/dbraw/zinc/22/78/10/474227810.db2.gz QIDLPGHOGFMJOP-HNNXBMFYSA-N 1 1 339.399 2.919 40 0 EFABMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2nc(C(C)C)no2)C1 ZINC000225603234 474228593 /nfs/dbraw/zinc/22/85/93/474228593.db2.gz LRVLNAMKKHAXFQ-ZDUSSCGKSA-N 1 1 335.477 2.916 40 0 EFABMO Nc1cc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)ccn1 ZINC000225615741 474230476 /nfs/dbraw/zinc/23/04/76/474230476.db2.gz GQYTZKAOFKNPDA-ZDUSSCGKSA-N 1 1 338.333 2.731 40 0 EFABMO COc1cc2c(cc1OC)[C@H](C)[N@H+]([C@H]1CCCN(C(C)=O)C1)CC2 ZINC000247959364 474233670 /nfs/dbraw/zinc/23/36/70/474233670.db2.gz UXNDEHDRRIRVTP-BBRMVZONSA-N 1 1 332.444 2.634 40 0 EFABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)ncc2C1 ZINC000248026236 474246979 /nfs/dbraw/zinc/24/69/79/474246979.db2.gz MCBWIDSBSFPQDH-CVEARBPZSA-N 1 1 340.471 2.527 40 0 EFABMO C[C@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248027590 474248826 /nfs/dbraw/zinc/24/88/26/474248826.db2.gz NDUUCVHGSTZLEH-PBHICJAKSA-N 1 1 346.862 2.688 40 0 EFABMO C[C@H](Cn1cc(Cl)cn1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248027590 474248834 /nfs/dbraw/zinc/24/88/34/474248834.db2.gz NDUUCVHGSTZLEH-PBHICJAKSA-N 1 1 346.862 2.688 40 0 EFABMO COCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000188973457 474251328 /nfs/dbraw/zinc/25/13/28/474251328.db2.gz LPXXEOLBFRCPMS-UHFFFAOYSA-N 1 1 342.842 2.844 40 0 EFABMO Cc1ccc(CN2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115845 474260581 /nfs/dbraw/zinc/26/05/81/474260581.db2.gz SGCDWWBDNBSCNK-QUCCMNQESA-N 1 1 341.455 2.706 40 0 EFABMO Cc1ccc(CN2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115845 474260593 /nfs/dbraw/zinc/26/05/93/474260593.db2.gz SGCDWWBDNBSCNK-QUCCMNQESA-N 1 1 341.455 2.706 40 0 EFABMO Cc1ccc(CN2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115843 474260681 /nfs/dbraw/zinc/26/06/81/474260681.db2.gz SGCDWWBDNBSCNK-ICSRJNTNSA-N 1 1 341.455 2.706 40 0 EFABMO Cc1ccc(CN2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)o1 ZINC000248115843 474260686 /nfs/dbraw/zinc/26/06/86/474260686.db2.gz SGCDWWBDNBSCNK-ICSRJNTNSA-N 1 1 341.455 2.706 40 0 EFABMO COc1ccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCOC2)c(OC)c1 ZINC000248138223 474266060 /nfs/dbraw/zinc/26/60/60/474266060.db2.gz ODTFRTHVZFTDRK-MAUKXSAKSA-N 1 1 335.444 2.721 40 0 EFABMO C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)n1cccn1 ZINC000248165067 474274500 /nfs/dbraw/zinc/27/45/00/474274500.db2.gz ZKCXIAUNGKQOHT-IJEWVQPXSA-N 1 1 332.473 2.705 40 0 EFABMO C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)n1cccn1 ZINC000248165066 474274687 /nfs/dbraw/zinc/27/46/87/474274687.db2.gz ZKCXIAUNGKQOHT-IIAWOOMASA-N 1 1 332.473 2.705 40 0 EFABMO CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184446 474330907 /nfs/dbraw/zinc/33/09/07/474330907.db2.gz FJYKTJMXOBZDOY-BLLLJJGKSA-N 1 1 344.377 2.646 40 0 EFABMO CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)CCO1 ZINC000283184446 474330916 /nfs/dbraw/zinc/33/09/16/474330916.db2.gz FJYKTJMXOBZDOY-BLLLJJGKSA-N 1 1 344.377 2.646 40 0 EFABMO CS(=O)(=O)N(CC[N@@H+]1CCC[C@H]1c1ccco1)Cc1ccccc1 ZINC000248822240 474445136 /nfs/dbraw/zinc/44/51/36/474445136.db2.gz FWHWFQYSXJFSQT-KRWDZBQOSA-N 1 1 348.468 2.878 40 0 EFABMO CS(=O)(=O)N(CC[N@H+]1CCC[C@H]1c1ccco1)Cc1ccccc1 ZINC000248822240 474445142 /nfs/dbraw/zinc/44/51/42/474445142.db2.gz FWHWFQYSXJFSQT-KRWDZBQOSA-N 1 1 348.468 2.878 40 0 EFABMO C[N@H+]1CCN(Cc2nnc(C3CC3)n2C2CC2)[C@@H](c2ccccc2)C1 ZINC000239761395 474548120 /nfs/dbraw/zinc/54/81/20/474548120.db2.gz CJVAHPHSTVTSCN-GOSISDBHSA-N 1 1 337.471 2.979 40 0 EFABMO CCn1ccnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1=O ZINC000240454720 474548828 /nfs/dbraw/zinc/54/88/28/474548828.db2.gz FYHIKDKGUPDYFX-DOTOQJQBSA-N 1 1 326.444 2.728 40 0 EFABMO C[C@@H]1CN(CC[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCO1 ZINC000249268514 474548934 /nfs/dbraw/zinc/54/89/34/474548934.db2.gz IUPQPMYXKPLPMG-HZPDHXFCSA-N 1 1 349.544 2.922 40 0 EFABMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CC[NH+](Cc2cccs2)CC1 ZINC000245237490 474572703 /nfs/dbraw/zinc/57/27/03/474572703.db2.gz KUELSIJGJBHQBS-SOLBZPMBSA-N 1 1 349.544 2.949 40 0 EFABMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[NH+](Cc2cccs2)CC1 ZINC000245237489 474572778 /nfs/dbraw/zinc/57/27/78/474572778.db2.gz KUELSIJGJBHQBS-RYRKJORJSA-N 1 1 349.544 2.949 40 0 EFABMO COc1ccc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1F ZINC000245339033 474574580 /nfs/dbraw/zinc/57/45/80/474574580.db2.gz QBYBMEIHVNAGEZ-ZFWWWQNUSA-N 1 1 335.423 2.775 40 0 EFABMO O=C(c1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000245339198 474574632 /nfs/dbraw/zinc/57/46/32/474574632.db2.gz RDSUPURHQBAGSY-XZOAIXRZSA-N 1 1 327.403 2.863 40 0 EFABMO OCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000272281607 474606247 /nfs/dbraw/zinc/60/62/47/474606247.db2.gz FNIGMKZVEKXIQV-PMACEKPBSA-N 1 1 327.424 2.503 40 0 EFABMO OCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000272281607 474606254 /nfs/dbraw/zinc/60/62/54/474606254.db2.gz FNIGMKZVEKXIQV-PMACEKPBSA-N 1 1 327.424 2.503 40 0 EFABMO Cc1c[nH+]cn1C1CCN(C(=O)c2ncccc2Br)CC1 ZINC000252478337 474663593 /nfs/dbraw/zinc/66/35/93/474663593.db2.gz AJOILFVXEFEJTP-UHFFFAOYSA-N 1 1 349.232 2.826 40 0 EFABMO O=C(Nc1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1)C(F)F ZINC000252488126 474674615 /nfs/dbraw/zinc/67/46/15/474674615.db2.gz IKWRWGOEHHISBE-UHFFFAOYSA-N 1 1 346.381 2.607 40 0 EFABMO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000252505147 474683575 /nfs/dbraw/zinc/68/35/75/474683575.db2.gz VPSCAFLRRKQLIS-INIZCTEOSA-N 1 1 343.427 2.753 40 0 EFABMO CCCc1nnc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000252516725 474691217 /nfs/dbraw/zinc/69/12/17/474691217.db2.gz WCHLFBAYCSVPQD-KBPBESRZSA-N 1 1 330.457 2.775 40 0 EFABMO CCOC[C@]1([NH3+])[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000252517004 474692712 /nfs/dbraw/zinc/69/27/12/474692712.db2.gz YSNHSYXJKRXCSS-OTWHNJEPSA-N 1 1 345.464 2.669 40 0 EFABMO C[N@@H+](CCC1OCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000252586870 474699260 /nfs/dbraw/zinc/69/92/60/474699260.db2.gz UDUITLRQYCVITD-HIFRSBDPSA-N 1 1 332.227 2.646 40 0 EFABMO Cc1noc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000253370843 474730672 /nfs/dbraw/zinc/73/06/72/474730672.db2.gz WYZVLHWUROFKSS-RCCFBDPRSA-N 1 1 326.444 2.768 40 0 EFABMO C[C@](O)(C[NH+]1CCC(O)(c2ccccc2Cl)CC1)C(F)(F)F ZINC000253396479 474735864 /nfs/dbraw/zinc/73/58/64/474735864.db2.gz HLBQLWDUACKPBW-ZDUSSCGKSA-N 1 1 337.769 2.937 40 0 EFABMO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]1C(N)=O ZINC000253397367 474738188 /nfs/dbraw/zinc/73/81/88/474738188.db2.gz WTLMDSPZLGGBMP-PBHICJAKSA-N 1 1 331.460 2.901 40 0 EFABMO CCCC[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000253397367 474738200 /nfs/dbraw/zinc/73/82/00/474738200.db2.gz WTLMDSPZLGGBMP-PBHICJAKSA-N 1 1 331.460 2.901 40 0 EFABMO CN(C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000253417235 474743554 /nfs/dbraw/zinc/74/35/54/474743554.db2.gz AYXOKBVSSCKVIP-CYBMUJFWSA-N 1 1 348.871 2.583 40 0 EFABMO CN(C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1)S(C)(=O)=O ZINC000253417235 474743562 /nfs/dbraw/zinc/74/35/62/474743562.db2.gz AYXOKBVSSCKVIP-CYBMUJFWSA-N 1 1 348.871 2.583 40 0 EFABMO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000253417426 474744466 /nfs/dbraw/zinc/74/44/66/474744466.db2.gz KCPOPRIAZRSKDK-GDBMZVCRSA-N 1 1 325.474 2.903 40 0 EFABMO CCS(=O)(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000253417426 474744473 /nfs/dbraw/zinc/74/44/73/474744473.db2.gz KCPOPRIAZRSKDK-GDBMZVCRSA-N 1 1 325.474 2.903 40 0 EFABMO Cn1cc(CCC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000253419158 474747808 /nfs/dbraw/zinc/74/78/08/474747808.db2.gz KAURBZDLHIRLQL-YJBOKZPZSA-N 1 1 346.500 2.614 40 0 EFABMO Cc1nc2c(cccc2C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000253421130 474748631 /nfs/dbraw/zinc/74/86/31/474748631.db2.gz QTYRRXGJVWCGSA-DLBZAZTESA-N 1 1 335.407 2.964 40 0 EFABMO Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cscn3)[C@H](C)C2)s1 ZINC000253425405 474751001 /nfs/dbraw/zinc/75/10/01/474751001.db2.gz IXZMLPORRTXYGG-ZWNOBZJWSA-N 1 1 336.486 2.548 40 0 EFABMO COCc1nsc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000253425932 474751922 /nfs/dbraw/zinc/75/19/22/474751922.db2.gz JNYQKGWKBMQWIH-CVEARBPZSA-N 1 1 344.484 2.928 40 0 EFABMO c1cc2n(c1)C[C@@H](Oc1ccccn1)C[N@H+](CC1CCOCC1)C2 ZINC000253588407 474768872 /nfs/dbraw/zinc/76/88/72/474768872.db2.gz BOHFYVDEUOGEHE-SFHVURJKSA-N 1 1 327.428 2.573 40 0 EFABMO CCCCC(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)CC[N@H+]2C ZINC000306125982 474806209 /nfs/dbraw/zinc/80/62/09/474806209.db2.gz DIGODURQMGDTPW-KRWDZBQOSA-N 1 1 345.487 2.711 40 0 EFABMO Cn1cc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cn1 ZINC000306132752 474808689 /nfs/dbraw/zinc/80/86/89/474808689.db2.gz LQZGHNKFJDDYIA-ZWKOTPCHSA-N 1 1 333.439 2.588 40 0 EFABMO CC(C)n1cnc([C@@H]2C[N@@H+](CC3CC3)C[C@@]23CCCN(C)C3=O)c1 ZINC000306131241 474809237 /nfs/dbraw/zinc/80/92/37/474809237.db2.gz JZDZIEJHHXALBA-LPHOPBHVSA-N 1 1 330.476 2.512 40 0 EFABMO Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC000306136849 474809347 /nfs/dbraw/zinc/80/93/47/474809347.db2.gz QEZLSGXNNORXDP-JKSUJKDBSA-N 1 1 327.453 2.941 40 0 EFABMO Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC000306136849 474809354 /nfs/dbraw/zinc/80/93/54/474809354.db2.gz QEZLSGXNNORXDP-JKSUJKDBSA-N 1 1 327.453 2.941 40 0 EFABMO CC(C)C[N@H+]1CCC[C@H](c2ccnc3c(C(=O)NC(C)C)cnn32)C1 ZINC000306139690 474812129 /nfs/dbraw/zinc/81/21/29/474812129.db2.gz TXVJQIXMYJIGCY-HNNXBMFYSA-N 1 1 343.475 2.703 40 0 EFABMO Cn1cc(-c2cnc3n2C[C@H]2C[N@H+](Cc4ccsc4)C[C@H]2C3)cn1 ZINC000306141488 474812175 /nfs/dbraw/zinc/81/21/75/474812175.db2.gz VXUVCJLCDWCHPP-GDBMZVCRSA-N 1 1 339.468 2.649 40 0 EFABMO O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2C[N@@H+](C3CCC3)C[C@@H]21 ZINC000306137637 474812373 /nfs/dbraw/zinc/81/23/73/474812373.db2.gz RBZXFKBPRNAVRJ-MJGOQNOKSA-N 1 1 340.448 2.856 40 0 EFABMO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CC[N@H+](C)Cc1cccnc1 ZINC000257223160 474925911 /nfs/dbraw/zinc/92/59/11/474925911.db2.gz DWECFYZURXIPJM-QGZVFWFLSA-N 1 1 341.459 2.689 40 0 EFABMO O=c1[nH]c([C@@H]2CCCC[NH2+]2)nc2c1C[N@@H+](CC1CCCCC1)CC2 ZINC000257246799 474926430 /nfs/dbraw/zinc/92/64/30/474926430.db2.gz IVWJDOYNHOEVKX-KRWDZBQOSA-N 1 1 330.476 2.935 40 0 EFABMO O=c1[n-]c([C@@H]2CCCC[NH2+]2)nc2c1C[N@H+](CC1CCCCC1)CC2 ZINC000257246799 474926435 /nfs/dbraw/zinc/92/64/35/474926435.db2.gz IVWJDOYNHOEVKX-KRWDZBQOSA-N 1 1 330.476 2.935 40 0 EFABMO Cn1ccnc1C[NH+]1CCC(c2ccnc(Nc3ncccn3)c2)CC1 ZINC000257237799 474928011 /nfs/dbraw/zinc/92/80/11/474928011.db2.gz HIFUFWPZHWZHFF-UHFFFAOYSA-N 1 1 349.442 2.728 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@H+]3C3CCN(C)CC3)n2)n1 ZINC000257282645 474928941 /nfs/dbraw/zinc/92/89/41/474928941.db2.gz OUPZMXZHERBBSX-QGZVFWFLSA-N 1 1 340.475 2.715 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCC[N@@H+]3C3CCN(C)CC3)n2)n1 ZINC000257282645 474928949 /nfs/dbraw/zinc/92/89/49/474928949.db2.gz OUPZMXZHERBBSX-QGZVFWFLSA-N 1 1 340.475 2.715 40 0 EFABMO CNc1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCCO)c2)ccn1 ZINC000257286110 474932105 /nfs/dbraw/zinc/93/21/05/474932105.db2.gz PKHYXIFQHLXDQA-SFHVURJKSA-N 1 1 327.428 2.832 40 0 EFABMO c1nc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c[nH]1 ZINC000257285559 474932185 /nfs/dbraw/zinc/93/21/85/474932185.db2.gz PHTCHXFJNXQILM-OALUTQOASA-N 1 1 327.428 2.750 40 0 EFABMO c1nc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)c[nH]1 ZINC000257285559 474932194 /nfs/dbraw/zinc/93/21/94/474932194.db2.gz PHTCHXFJNXQILM-OALUTQOASA-N 1 1 327.428 2.750 40 0 EFABMO Cc1ccc(C[N@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)cn1 ZINC000257284165 474932345 /nfs/dbraw/zinc/93/23/45/474932345.db2.gz PBLRKQXOJSJSEM-SFHVURJKSA-N 1 1 336.439 2.729 40 0 EFABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2ccnn2C(C)C)ccn1 ZINC000257291002 474933629 /nfs/dbraw/zinc/93/36/29/474933629.db2.gz QFEAOAAKPUSVQV-LJQANCHMSA-N 1 1 341.459 2.832 40 0 EFABMO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2ccnn2C(C)C)ccn1 ZINC000257291002 474933638 /nfs/dbraw/zinc/93/36/38/474933638.db2.gz QFEAOAAKPUSVQV-LJQANCHMSA-N 1 1 341.459 2.832 40 0 EFABMO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2c(OC)cccc2OC)n1 ZINC000257292375 474936659 /nfs/dbraw/zinc/93/66/59/474936659.db2.gz QLEXCJVDMYOICR-HNNXBMFYSA-N 1 1 328.416 2.873 40 0 EFABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2c(OC)cccc2OC)n1 ZINC000257292375 474936666 /nfs/dbraw/zinc/93/66/66/474936666.db2.gz QLEXCJVDMYOICR-HNNXBMFYSA-N 1 1 328.416 2.873 40 0 EFABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)c1ccccc1 ZINC000257293367 474936955 /nfs/dbraw/zinc/93/69/55/474936955.db2.gz QPEBSYCGLBCWIH-OAQYLSRUSA-N 1 1 340.467 2.684 40 0 EFABMO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000257293035 474937021 /nfs/dbraw/zinc/93/70/21/474937021.db2.gz QNXCAERZODVDOU-FQEVSTJZSA-N 1 1 349.438 2.537 40 0 EFABMO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000257293035 474937022 /nfs/dbraw/zinc/93/70/22/474937022.db2.gz QNXCAERZODVDOU-FQEVSTJZSA-N 1 1 349.438 2.537 40 0 EFABMO Cc1nc(C)c(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)s1 ZINC000257299872 474939876 /nfs/dbraw/zinc/93/98/76/474939876.db2.gz RSAAXYGALJDAIG-SCNOPHJPSA-N 1 1 333.501 2.776 40 0 EFABMO COc1ccc([C@H]2C[N@H+](Cc3ncccc3C)CCN2C(C)=O)cc1 ZINC000257301222 474940003 /nfs/dbraw/zinc/94/00/03/474940003.db2.gz RXMOGYHSYCQWFJ-HXUWFJFHSA-N 1 1 339.439 2.804 40 0 EFABMO COc1ccc([C@H]2C[N@@H+](Cc3ncccc3C)CCN2C(C)=O)cc1 ZINC000257301222 474940012 /nfs/dbraw/zinc/94/00/12/474940012.db2.gz RXMOGYHSYCQWFJ-HXUWFJFHSA-N 1 1 339.439 2.804 40 0 EFABMO CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)s1 ZINC000257306454 474945690 /nfs/dbraw/zinc/94/56/90/474945690.db2.gz SUINHFICSUZWSK-FLTUCWPJSA-N 1 1 348.516 2.971 40 0 EFABMO CCc1[nH]c(CN2CCN(C(C)=O)C[C@H]2c2ccccc2)c(C)[nH+]1 ZINC000257317307 474948855 /nfs/dbraw/zinc/94/88/55/474948855.db2.gz VJERUPMDIVPPGE-SFHVURJKSA-N 1 1 326.444 2.686 40 0 EFABMO CCn1cc(C[N@@H+]2CCCC[C@H]2c2ccnc(N(C)C)n2)c(C)n1 ZINC000257314055 474949381 /nfs/dbraw/zinc/94/93/81/474949381.db2.gz UVDGYKKSQFJIOA-KRWDZBQOSA-N 1 1 328.464 2.795 40 0 EFABMO CCn1cc(C[N@H+]2CCCC[C@H]2c2ccnc(N(C)C)n2)c(C)n1 ZINC000257314055 474949386 /nfs/dbraw/zinc/94/93/86/474949386.db2.gz UVDGYKKSQFJIOA-KRWDZBQOSA-N 1 1 328.464 2.795 40 0 EFABMO CCc1[nH]c(CN2CCN(C(C)=O)C[C@@H]2c2ccccc2)c(C)[nH+]1 ZINC000257317306 474949741 /nfs/dbraw/zinc/94/97/41/474949741.db2.gz VJERUPMDIVPPGE-GOSISDBHSA-N 1 1 326.444 2.686 40 0 EFABMO CO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@@]12CCCO2 ZINC000257316556 474950164 /nfs/dbraw/zinc/95/01/64/474950164.db2.gz VGBVYHFFBBYEEK-HKUYNNGSSA-N 1 1 327.428 2.847 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257320834 474954253 /nfs/dbraw/zinc/95/42/53/474954253.db2.gz VYUQYVPNZAVJIQ-KRWDZBQOSA-N 1 1 336.439 2.659 40 0 EFABMO Cn1ccnc1C[N@H+]1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257320834 474954260 /nfs/dbraw/zinc/95/42/60/474954260.db2.gz VYUQYVPNZAVJIQ-KRWDZBQOSA-N 1 1 336.439 2.659 40 0 EFABMO CC(=O)Nc1ncc(-c2cnc(C[C@@H]3CC[N@H+](C(C)C)C3)cn2)s1 ZINC000257325202 474955392 /nfs/dbraw/zinc/95/53/92/474955392.db2.gz WRYBQFOFPYSJLY-ZDUSSCGKSA-N 1 1 345.472 2.831 40 0 EFABMO Cc1cncc([C@H]2CCC[N@@H+](Cc3cccc(OCCO)c3)C2)n1 ZINC000257328646 474957783 /nfs/dbraw/zinc/95/77/83/474957783.db2.gz XGOMGUTUVYRJJG-KRWDZBQOSA-N 1 1 327.428 2.536 40 0 EFABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000257333428 474958831 /nfs/dbraw/zinc/95/88/31/474958831.db2.gz YBMFMOZCGXIQAO-AWEZNQCLSA-N 1 1 341.459 2.553 40 0 EFABMO Cc1cccnc1C[N@H+]1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257333485 474959864 /nfs/dbraw/zinc/95/98/64/474959864.db2.gz YBSSJAZQTQXJRN-QGZVFWFLSA-N 1 1 336.439 2.729 40 0 EFABMO Cc1ccccc1C[N@@H+]1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257336240 474961502 /nfs/dbraw/zinc/96/15/02/474961502.db2.gz YNQQFAVMDCEKAQ-HNNXBMFYSA-N 1 1 347.484 2.576 40 0 EFABMO Cc1ccccc1C[N@H+]1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257336240 474961509 /nfs/dbraw/zinc/96/15/09/474961509.db2.gz YNQQFAVMDCEKAQ-HNNXBMFYSA-N 1 1 347.484 2.576 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257340413 474962907 /nfs/dbraw/zinc/96/29/07/474962907.db2.gz ZFYRBTZHXNRJGJ-CYBMUJFWSA-N 1 1 326.429 2.969 40 0 EFABMO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257340413 474962912 /nfs/dbraw/zinc/96/29/12/474962912.db2.gz ZFYRBTZHXNRJGJ-CYBMUJFWSA-N 1 1 326.429 2.969 40 0 EFABMO Cc1cncc(C[N@H+]2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)c1 ZINC000257338056 474963260 /nfs/dbraw/zinc/96/32/60/474963260.db2.gz YVPDIZXOEBMNEK-QGZVFWFLSA-N 1 1 334.427 2.745 40 0 EFABMO C[C@H](NC(=O)[C@H]1CCC(=O)c2cccn21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000332920797 475782764 /nfs/dbraw/zinc/78/27/64/475782764.db2.gz JVJPDIGGWGPURO-RLFYNMQTSA-N 1 1 343.471 2.775 40 0 EFABMO Cn1cc(C[C@H]2CC[N@@H+](CC(=O)NC3CCCCCCC3)C2)cn1 ZINC000363307135 476644917 /nfs/dbraw/zinc/64/49/17/476644917.db2.gz OZIVZHGOUJEXCP-MRXNPFEDSA-N 1 1 332.492 2.514 40 0 EFABMO COCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000390833300 476804346 /nfs/dbraw/zinc/80/43/46/476804346.db2.gz FUKBRGUGVVWCDB-OALUTQOASA-N 1 1 342.483 2.926 40 0 EFABMO O=C([C@H]1CCC[C@@]12CC[N@@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000503788346 478846171 /nfs/dbraw/zinc/84/61/71/478846171.db2.gz LIOKTPLQXGBAPI-WBVHZDCISA-N 1 1 335.398 2.551 40 0 EFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](C)C[C@H]2N(C)C3=O)c1 ZINC000514289621 479020835 /nfs/dbraw/zinc/02/08/35/479020835.db2.gz MNBUIDZHLJAXHT-MJGOQNOKSA-N 1 1 338.407 2.509 40 0 biogenic,in-vitro EFABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](C)C[C@H]2N(C)C3=O)c1 ZINC000514289621 479020842 /nfs/dbraw/zinc/02/08/42/479020842.db2.gz MNBUIDZHLJAXHT-MJGOQNOKSA-N 1 1 338.407 2.509 40 0 biogenic,in-vitro EFABMO CCOCC[C@H]1Cn2cccc2C[N@H+](Cc2cccnc2OC)C1 ZINC000585095528 479279507 /nfs/dbraw/zinc/27/95/07/479279507.db2.gz VGGUOGLYMWJDPT-MRXNPFEDSA-N 1 1 329.444 2.950 40 0 EFABMO CCOCC[C@H]1Cn2cccc2C[N@@H+](Cc2cccnc2OC)C1 ZINC000585095528 479279515 /nfs/dbraw/zinc/27/95/15/479279515.db2.gz VGGUOGLYMWJDPT-MRXNPFEDSA-N 1 1 329.444 2.950 40 0 EFABMO COCC[N@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102299 479283039 /nfs/dbraw/zinc/28/30/39/479283039.db2.gz WPFFNGGVHWMXEF-FQEVSTJZSA-N 1 1 339.439 2.562 40 0 EFABMO O=C1CC[C@]2(CCC[N@@H+](Cc3nccs3)CC2)N1C[C@@H]1CCCO1 ZINC000585099865 479283118 /nfs/dbraw/zinc/28/31/18/479283118.db2.gz MDVQNOFWLJKEDA-YJBOKZPZSA-N 1 1 349.500 2.669 40 0 EFABMO C[N@H+]1CC[C@H](COCc2ccncc2)CC12CN(Cc1ccco1)C2 ZINC000585102764 479284014 /nfs/dbraw/zinc/28/40/14/479284014.db2.gz GVFHGMLCKBXKIA-SFHVURJKSA-N 1 1 341.455 2.788 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccoc3)C2)OC1 ZINC000585103458 479284396 /nfs/dbraw/zinc/28/43/96/479284396.db2.gz BHVYMCAUAVFSBY-GOSISDBHSA-N 1 1 341.455 2.788 40 0 EFABMO CC[N@@H+](C)C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC000585103144 479284785 /nfs/dbraw/zinc/28/47/85/479284785.db2.gz DNVQRVWQFKOOCU-GOSISDBHSA-N 1 1 330.472 2.958 40 0 EFABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)C1(F)CCC1)C2 ZINC000585102325 479285059 /nfs/dbraw/zinc/28/50/59/479285059.db2.gz XDIJXRMQPODJOU-KRWDZBQOSA-N 1 1 335.423 2.751 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)C1(F)CCC1)C2 ZINC000585102325 479285063 /nfs/dbraw/zinc/28/50/63/479285063.db2.gz XDIJXRMQPODJOU-KRWDZBQOSA-N 1 1 335.423 2.751 40 0 EFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccco3)C2)OC1 ZINC000585104001 479285229 /nfs/dbraw/zinc/28/52/29/479285229.db2.gz FLWZAQWAUZUIFF-GOSISDBHSA-N 1 1 341.455 2.788 40 0 EFABMO CC1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4cccnc4)[C@@H]3C2)CC1 ZINC000585107657 479287443 /nfs/dbraw/zinc/28/74/43/479287443.db2.gz JRKPEAKEEQVBSI-SOTJZCEJSA-N 1 1 327.472 2.941 40 0 EFABMO CC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 ZINC000585109672 479288017 /nfs/dbraw/zinc/28/80/17/479288017.db2.gz IEPBECNGPTZNLT-JYYRGQEPSA-N 1 1 338.455 2.719 40 0 EFABMO Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](C[N@@H+]2CCC(C)C)C1 ZINC000585107918 479288047 /nfs/dbraw/zinc/28/80/47/479288047.db2.gz FOHHLIJOUQITCQ-SJORKVTESA-N 1 1 336.501 2.736 40 0 EFABMO O[C@@]1(COc2ccc(F)cc2)CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000585269508 479304095 /nfs/dbraw/zinc/30/40/95/479304095.db2.gz XOSLLNOENFPLAO-KRWDZBQOSA-N 1 1 336.794 2.890 40 0 EFABMO O[C@@]1(COc2ccc(F)cc2)CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000585269508 479304100 /nfs/dbraw/zinc/30/41/00/479304100.db2.gz XOSLLNOENFPLAO-KRWDZBQOSA-N 1 1 336.794 2.890 40 0 EFABMO O[C@@]1(COc2ccc(F)cc2)COCC[N@H+](C2CCCCCC2)C1 ZINC000585275217 479304954 /nfs/dbraw/zinc/30/49/54/479304954.db2.gz ALOVZYOYKPSQOH-LJQANCHMSA-N 1 1 337.435 2.991 40 0 EFABMO CO[C@@]1(COc2cccc(F)c2)CC[N@H+](Cc2cnc(C)nc2)C1 ZINC000585275450 479305170 /nfs/dbraw/zinc/30/51/70/479305170.db2.gz CHOQGXZWBQSDQK-SFHVURJKSA-N 1 1 331.391 2.594 40 0 EFABMO CO[C@@]1(COc2cccc(F)c2)CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000585275450 479305176 /nfs/dbraw/zinc/30/51/76/479305176.db2.gz CHOQGXZWBQSDQK-SFHVURJKSA-N 1 1 331.391 2.594 40 0 EFABMO CCn1cncc1C[N@@H+]1CCC[C@@](O)(COc2ccccc2C)C1 ZINC000585276295 479305549 /nfs/dbraw/zinc/30/55/49/479305549.db2.gz HWAGODSHADLASQ-IBGZPJMESA-N 1 1 329.444 2.617 40 0 EFABMO CCn1cncc1C[N@H+]1CCC[C@@](O)(COc2ccccc2C)C1 ZINC000585276295 479305555 /nfs/dbraw/zinc/30/55/55/479305555.db2.gz HWAGODSHADLASQ-IBGZPJMESA-N 1 1 329.444 2.617 40 0 EFABMO CCc1ncc(C[N@@H+]2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585276995 479305684 /nfs/dbraw/zinc/30/56/84/479305684.db2.gz KXNWSWSVWPEVFY-AEFFLSMTSA-N 1 1 329.419 2.604 40 0 EFABMO CCc1ncc(C[N@H+]2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585276995 479305687 /nfs/dbraw/zinc/30/56/87/479305687.db2.gz KXNWSWSVWPEVFY-AEFFLSMTSA-N 1 1 329.419 2.604 40 0 EFABMO CCCc1ncc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cn1 ZINC000585276589 479305717 /nfs/dbraw/zinc/30/57/17/479305717.db2.gz NNCBAQLVRCRBKZ-HXUWFJFHSA-N 1 1 341.455 2.835 40 0 EFABMO CCCc1ncc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cn1 ZINC000585276589 479305721 /nfs/dbraw/zinc/30/57/21/479305721.db2.gz NNCBAQLVRCRBKZ-HXUWFJFHSA-N 1 1 341.455 2.835 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@](O)(COc3ccccc3C)C2)[nH]1 ZINC000585277665 479306471 /nfs/dbraw/zinc/30/64/71/479306471.db2.gz NUEOXGRJPLYJGD-LJQANCHMSA-N 1 1 329.444 2.605 40 0 EFABMO CCc1ncc(C[N@H+]2CC[C@H](Cc3cccc(C)c3)[C@H](O)C2)cn1 ZINC000585278305 479307031 /nfs/dbraw/zinc/30/70/31/479307031.db2.gz BOXSGFNSWOASHN-RTBURBONSA-N 1 1 325.456 2.773 40 0 EFABMO CNC(=O)CC[C@@]1(OC)CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000585278224 479307111 /nfs/dbraw/zinc/30/71/11/479307111.db2.gz NNZFGRYMMNCKQY-FQEVSTJZSA-N 1 1 341.455 2.742 40 0 EFABMO C[N@@H+](CCc1ccncc1)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585288466 479309411 /nfs/dbraw/zinc/30/94/11/479309411.db2.gz BCNHMWLIWXLOTN-XUVXKRRUSA-N 1 1 326.440 2.917 40 0 EFABMO CCC[N@H+](Cc1oc2cc(C)ccc2c1C)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291967 479310413 /nfs/dbraw/zinc/31/04/13/479310413.db2.gz UGQGPRRUCFTMIW-MDYRTPRTSA-N 1 1 347.455 2.630 40 0 EFABMO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)CC[C@@]1(C)O ZINC000604382120 479509032 /nfs/dbraw/zinc/50/90/32/479509032.db2.gz FPKOICGIZZBHKN-PCCBWWKXSA-N 1 1 338.451 2.889 40 0 biogenic,in-vitro EFABMO COCc1nc(C)c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)s1 ZINC000097230052 500824957 /nfs/dbraw/zinc/82/49/57/500824957.db2.gz UQEONZOIMVLZLN-UHFFFAOYSA-N 1 1 337.489 2.688 40 0 EFABMO C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1cccnc1 ZINC000048069264 525210203 /nfs/dbraw/zinc/21/02/03/525210203.db2.gz KEGBZQNPBPUPRN-JKSUJKDBSA-N 1 1 338.455 2.889 40 0 EFABMO CC(C)(O)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000191808912 527300443 /nfs/dbraw/zinc/30/04/43/527300443.db2.gz NWYICRCRCZIIEQ-UHFFFAOYSA-N 1 1 345.270 2.845 40 0 EFABMO CCOc1ccccc1OCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174244868 528748412 /nfs/dbraw/zinc/74/84/12/528748412.db2.gz SOJPLPPJHVLDSX-MQVJKMGUSA-N 1 1 332.444 2.596 40 0 EFABMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccc(N3CCOCC3)nc2)no1 ZINC000035425317 535180055 /nfs/dbraw/zinc/18/00/55/535180055.db2.gz CDABWISSDXLFSZ-HNNXBMFYSA-N 1 1 343.431 2.514 40 0 biogenic,in-vitro EFABMO CCc1ccccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000195557807 535924538 /nfs/dbraw/zinc/92/45/38/535924538.db2.gz KMADVJFAYDUFBD-IBGZPJMESA-N 1 1 338.451 2.746 40 0 EFABMO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)c(C)n1 ZINC000257240427 536053219 /nfs/dbraw/zinc/05/32/19/536053219.db2.gz HTLMENRBOSWFSU-MRXNPFEDSA-N 1 1 340.431 2.687 40 0 EFABMO CCn1cc(C[N@H+]2CCCC[C@@H]2c2cc(=O)n3nccc3[nH]2)c(C)n1 ZINC000257240427 536053222 /nfs/dbraw/zinc/05/32/22/536053222.db2.gz HTLMENRBOSWFSU-MRXNPFEDSA-N 1 1 340.431 2.687 40 0 EFABMO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2OC)n1 ZINC000257219321 536421424 /nfs/dbraw/zinc/42/14/24/536421424.db2.gz DGJZQBKEGQXYME-INIZCTEOSA-N 1 1 328.416 2.873 40 0 EFABMO CNc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(OC)cc2OC)n1 ZINC000257219321 536421427 /nfs/dbraw/zinc/42/14/27/536421427.db2.gz DGJZQBKEGQXYME-INIZCTEOSA-N 1 1 328.416 2.873 40 0 EFABMO O=C1CC[C@@H]2C[N@@H+](Cc3cnc4ccccc4n3)CC[C@H]2N1C1CC1 ZINC000585094319 546371171 /nfs/dbraw/zinc/37/11/71/546371171.db2.gz JIPFRGBLAHOYJW-AUUYWEPGSA-N 1 1 336.439 2.605 40 0 EFABMO CCCC[N@@H+](C)C[C@@H]1[C@H](CC)CN(C(=O)c2cccs2)[C@@H]1CO ZINC001772594908 1249139766 /nfs/dbraw/zinc/13/97/66/1249139766.db2.gz GEJNQDBAAMGEPN-BZUAXINKSA-N 1 1 338.517 2.939 40 0 EFABMO C[N@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]2COc3ccccc3[C@@H]21 ZINC001772595984 1249170340 /nfs/dbraw/zinc/17/03/40/1249170340.db2.gz XGPTXZJQLDCHBJ-AOIWGVFYSA-N 1 1 340.398 2.753 40 0 EFABMO Brc1cnc([C@H]2CCCN2c2[nH+]cnc3[nH]ccc32)nc1 ZINC000895716973 724277080 /nfs/dbraw/zinc/27/70/80/724277080.db2.gz LDMLVCZUPOGLNS-LLVKDONJSA-N 1 1 345.204 2.852 40 0 EFABMO CN1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1 ZINC000049155391 1100628974 /nfs/dbraw/zinc/62/89/74/1100628974.db2.gz DUQSTNKMZBAMQC-HNNXBMFYSA-N 1 1 331.395 2.502 40 0 biogenic,in-vitro EFABMO CN1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1 ZINC000049155391 1100628976 /nfs/dbraw/zinc/62/89/76/1100628976.db2.gz DUQSTNKMZBAMQC-HNNXBMFYSA-N 1 1 331.395 2.502 40 0 biogenic,in-vitro EFABMO Cc1noc2nc(C)cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c12 ZINC000055193744 214285240 /nfs/dbraw/zinc/28/52/40/214285240.db2.gz RQNKNIYBKUSMNC-ZDUSSCGKSA-N 1 1 330.432 2.834 40 0 EFABMO COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000055748729 214340020 /nfs/dbraw/zinc/34/00/20/214340020.db2.gz RSMYCIIWOVADRF-FRRDWIJNSA-N 1 1 349.475 2.514 40 0 EFABMO Cc1ccsc1C[N@H+]1C[C@H]2OCC[C@H]2[C@@H](C(=O)N2CCCC2)C1 ZINC000097953633 219064776 /nfs/dbraw/zinc/06/47/76/219064776.db2.gz DYYJXMWAGWRZEE-HRCADAONSA-N 1 1 334.485 2.516 40 0 EFABMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000004400290 210187925 /nfs/dbraw/zinc/18/79/25/210187925.db2.gz VOAAJCDJYIZNDF-CRAIPNDOSA-N 1 1 348.462 2.804 40 0 EFABMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cncc(F)c1 ZINC000132472077 529954958 /nfs/dbraw/zinc/95/49/58/529954958.db2.gz FYDBFKMIIFDANU-INIZCTEOSA-N 1 1 327.403 2.815 40 0 EFABMO C[N@H+]1CCC=C(COC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000003593391 210060968 /nfs/dbraw/zinc/06/09/68/210060968.db2.gz MHZWAVGKTGFFPJ-HXUWFJFHSA-N 1 1 329.440 2.870 40 0 EFABMO CC[N@H+](Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000102816644 219233234 /nfs/dbraw/zinc/23/32/34/219233234.db2.gz UNCFWHHNIVZMEO-GOSISDBHSA-N 1 1 338.407 2.849 40 0 EFABMO CC[N@@H+](Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000102816644 219233236 /nfs/dbraw/zinc/23/32/36/219233236.db2.gz UNCFWHHNIVZMEO-GOSISDBHSA-N 1 1 338.407 2.849 40 0 EFABMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc2nccn2c1 ZINC000068389715 215304493 /nfs/dbraw/zinc/30/44/93/215304493.db2.gz HVNZKUBJBZXPBG-GOSISDBHSA-N 1 1 348.450 2.629 40 0 EFABMO C[C@@H]1Cc2ccccc2N1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000068818711 215336775 /nfs/dbraw/zinc/33/67/75/215336775.db2.gz NYOODTVEUSYVSL-GOSISDBHSA-N 1 1 349.478 2.782 40 0 EFABMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000040466315 213309261 /nfs/dbraw/zinc/30/92/61/213309261.db2.gz CIEJDPNWWKMIOK-INIZCTEOSA-N 1 1 341.411 2.572 40 0 EFABMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000040466315 213309265 /nfs/dbraw/zinc/30/92/65/213309265.db2.gz CIEJDPNWWKMIOK-INIZCTEOSA-N 1 1 341.411 2.572 40 0 EFABMO N=c1c2c(ncn1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C2 ZINC000001558904 209759324 /nfs/dbraw/zinc/75/93/24/209759324.db2.gz DVJDHCWHJDSABJ-UHFFFAOYSA-N 1 1 330.435 2.969 40 0 EFABMO C[N@@H+](CN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O)C1CCCC1 ZINC000040019919 213251390 /nfs/dbraw/zinc/25/13/90/213251390.db2.gz QWAQMFBJLRLMMG-HXUWFJFHSA-N 1 1 341.455 2.992 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590304 283176708 /nfs/dbraw/zinc/17/67/08/283176708.db2.gz SBLITLHHYWGWSZ-SFHVURJKSA-N 1 1 336.439 2.832 40 0 EFABMO COc1ccc(CNC(=S)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000036847503 213122024 /nfs/dbraw/zinc/12/20/24/213122024.db2.gz YANUBGBGZZCCFQ-CABCVRRESA-N 1 1 335.517 2.922 40 0 EFABMO COc1ccc(CNC(=S)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036847504 213122106 /nfs/dbraw/zinc/12/21/06/213122106.db2.gz YANUBGBGZZCCFQ-GJZGRUSLSA-N 1 1 335.517 2.922 40 0 EFABMO CNc1nc(C)c(C(=O)N2CCC(CCn3cc[nH+]c3C)CC2)s1 ZINC000036753043 213117836 /nfs/dbraw/zinc/11/78/36/213117836.db2.gz GMWVPOWHCMZYQC-UHFFFAOYSA-N 1 1 347.488 2.941 40 0 EFABMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc(Br)c1 ZINC000036393524 213096173 /nfs/dbraw/zinc/09/61/73/213096173.db2.gz VQNFDHWHYYBVAM-ZDUSSCGKSA-N 1 1 329.213 2.802 40 0 EFABMO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3CC(C)C)n2)cn1 ZINC000035425420 213026990 /nfs/dbraw/zinc/02/69/90/213026990.db2.gz DOAGODDTIWSDMB-HNNXBMFYSA-N 1 1 346.431 2.950 40 0 biogenic,in-vitro EFABMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1nc(-c2cncnc2N)no1 ZINC000035426045 213026686 /nfs/dbraw/zinc/02/66/86/213026686.db2.gz LLVWMELCCDLQHW-HNNXBMFYSA-N 1 1 336.399 2.754 40 0 biogenic,in-vitro EFABMO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000035189288 213013158 /nfs/dbraw/zinc/01/31/58/213013158.db2.gz IZWKBHMVRKCCRM-GRUVHVDGSA-N 1 1 327.509 2.934 40 0 EFABMO Cc1ccc(Oc2ccc(C(=O)NCCC[NH+]3CCOCC3)o2)cc1 ZINC000072260110 216085935 /nfs/dbraw/zinc/08/59/35/216085935.db2.gz PFWRLCPMIOKVSA-UHFFFAOYSA-N 1 1 344.411 2.832 40 0 EFABMO O=C(NCCC[NH+]1CCOCC1)c1cccc(-c2ccc(F)cc2)c1 ZINC000072264656 216086350 /nfs/dbraw/zinc/08/63/50/216086350.db2.gz RDQCADVBLXAFLC-UHFFFAOYSA-N 1 1 342.414 2.945 40 0 EFABMO CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(OC)c1 ZINC000072340190 216158363 /nfs/dbraw/zinc/15/83/63/216158363.db2.gz PNPDDXLMSPLHIB-SIXWZSSISA-N 1 1 331.412 2.570 40 0 EFABMO Cc1nccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000072350565 216162060 /nfs/dbraw/zinc/16/20/60/216162060.db2.gz LSIKAEWBUTWBDU-INIZCTEOSA-N 1 1 334.427 2.745 40 0 EFABMO Cc1cc(CCC(=O)NCc2cccnc2)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000072360551 216167701 /nfs/dbraw/zinc/16/77/01/216167701.db2.gz LHELXZVTUFHWTH-LJQANCHMSA-N 1 1 338.455 2.801 40 0 EFABMO COCC[N@@H+]1CCC[C@@H]1c1cc(C(F)(F)F)c(CNC(C)=O)cn1 ZINC000072355996 216164072 /nfs/dbraw/zinc/16/40/72/216164072.db2.gz DUKSZQFUQQAECW-OAHLLOKOSA-N 1 1 345.365 2.520 40 0 EFABMO COCC[N@H+]1CCC[C@@H]1c1cc(C(F)(F)F)c(CNC(C)=O)cn1 ZINC000072355996 216164076 /nfs/dbraw/zinc/16/40/76/216164076.db2.gz DUKSZQFUQQAECW-OAHLLOKOSA-N 1 1 345.365 2.520 40 0 EFABMO CNc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072366769 216171918 /nfs/dbraw/zinc/17/19/18/216171918.db2.gz GTRNURNYRWKFLD-QGZVFWFLSA-N 1 1 349.442 2.745 40 0 EFABMO CNc1ncc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)cn1 ZINC000072366769 216171920 /nfs/dbraw/zinc/17/19/20/216171920.db2.gz GTRNURNYRWKFLD-QGZVFWFLSA-N 1 1 349.442 2.745 40 0 EFABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072360344 216167847 /nfs/dbraw/zinc/16/78/47/216167847.db2.gz VGWPBDTURWUSAR-QGZVFWFLSA-N 1 1 349.442 2.994 40 0 EFABMO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072360344 216167849 /nfs/dbraw/zinc/16/78/49/216167849.db2.gz VGWPBDTURWUSAR-QGZVFWFLSA-N 1 1 349.442 2.994 40 0 EFABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)CC2CCCCC2)C1 ZINC000072374042 216177126 /nfs/dbraw/zinc/17/71/26/216177126.db2.gz FIILQRLIDSYAFL-INIZCTEOSA-N 1 1 345.491 2.748 40 0 EFABMO Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378428 216181632 /nfs/dbraw/zinc/18/16/32/216181632.db2.gz FZJCTTSUXFIGMP-KRWDZBQOSA-N 1 1 333.395 2.948 40 0 EFABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc1 ZINC000072372996 216177712 /nfs/dbraw/zinc/17/77/12/216177712.db2.gz HCFBITRWWRFUEI-LSDHHAIUSA-N 1 1 325.412 2.631 40 0 EFABMO Cc1nc([C@@H]2CC[N@H+]2CCc2ccccc2)cc(N2CCOCC2)n1 ZINC000072387527 216186262 /nfs/dbraw/zinc/18/62/62/216186262.db2.gz DVYDVRVDZHALMQ-IBGZPJMESA-N 1 1 338.455 2.611 40 0 EFABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c2nccnc21 ZINC000072393842 216193322 /nfs/dbraw/zinc/19/33/22/216193322.db2.gz RFAAMJYMIPPYHU-CQSZACIVSA-N 1 1 325.391 2.882 40 0 EFABMO COCCn1ccc(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)n1 ZINC000190232185 238316820 /nfs/dbraw/zinc/31/68/20/238316820.db2.gz ACILNJCSPAMBRB-UHFFFAOYSA-N 1 1 342.443 2.753 40 0 EFABMO Cc1n[nH]cc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000073303065 216374783 /nfs/dbraw/zinc/37/47/83/216374783.db2.gz RBLSSHNUFCEOMT-ZDUSSCGKSA-N 1 1 328.416 2.691 40 0 EFABMO Cc1[nH]ncc1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000073303065 216374788 /nfs/dbraw/zinc/37/47/88/216374788.db2.gz RBLSSHNUFCEOMT-ZDUSSCGKSA-N 1 1 328.416 2.691 40 0 EFABMO Cc1[nH]ncc1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000073303065 216374793 /nfs/dbraw/zinc/37/47/93/216374793.db2.gz RBLSSHNUFCEOMT-ZDUSSCGKSA-N 1 1 328.416 2.691 40 0 EFABMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cc3cccnc3)cc2)C1 ZINC000073303440 216375396 /nfs/dbraw/zinc/37/53/96/216375396.db2.gz ZSFNCZDONGRNTF-MRXNPFEDSA-N 1 1 339.439 2.983 40 0 EFABMO Cc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)on1 ZINC000073303043 216375860 /nfs/dbraw/zinc/37/58/60/216375860.db2.gz FBCDUWQGOXUFNE-CYBMUJFWSA-N 1 1 329.400 2.956 40 0 EFABMO Cc1nnc(-c2cccc(C(=O)N3CCC[N@H+](C(C)C)CC3)c2)o1 ZINC000073334223 216379027 /nfs/dbraw/zinc/37/90/27/216379027.db2.gz NHNGWOHLPWXZNU-UHFFFAOYSA-N 1 1 328.416 2.601 40 0 EFABMO OCCNCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000023263547 212364332 /nfs/dbraw/zinc/36/43/32/212364332.db2.gz GHWGBMOCCCMTKQ-UHFFFAOYSA-N 1 1 334.847 2.591 40 0 EFABMO Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000022843834 212327435 /nfs/dbraw/zinc/32/74/35/212327435.db2.gz LGJUDRHPAHADHW-INIZCTEOSA-N 1 1 336.432 2.715 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1COc2ccccc2O1 ZINC000022510421 212302042 /nfs/dbraw/zinc/30/20/42/212302042.db2.gz INWNWYKYAUIJKD-LJQANCHMSA-N 1 1 349.390 2.637 40 0 EFABMO CC(C)CO[C@H](C)c1noc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)n1 ZINC000245312454 240252879 /nfs/dbraw/zinc/25/28/79/240252879.db2.gz JIPDLDSRKJOMDY-NCOADZHNSA-N 1 1 348.491 2.719 40 0 EFABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)cn3C)C2)cc1CO ZINC000257339521 240313430 /nfs/dbraw/zinc/31/34/30/240313430.db2.gz ZCBMWMFPHCJZOR-QGZVFWFLSA-N 1 1 343.471 2.999 40 0 EFABMO CC(C)C[N@H+]1CCO[C@H](CSc2n[nH]c(-c3cccs3)n2)C1 ZINC000022227503 212282652 /nfs/dbraw/zinc/28/26/52/212282652.db2.gz CAFJUYMSMZTYDL-LBPRGKRZSA-N 1 1 338.502 2.982 40 0 EFABMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OC ZINC000022076088 212276605 /nfs/dbraw/zinc/27/66/05/212276605.db2.gz AAYRKXDEALYWOO-UHFFFAOYSA-N 1 1 331.254 2.508 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000022058073 212273724 /nfs/dbraw/zinc/27/37/24/212273724.db2.gz FHLKLXPKPYINIM-HKUYNNGSSA-N 1 1 346.471 2.775 40 0 EFABMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000022058073 212273726 /nfs/dbraw/zinc/27/37/26/212273726.db2.gz FHLKLXPKPYINIM-HKUYNNGSSA-N 1 1 346.471 2.775 40 0 EFABMO CCN1CC[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000022030670 212272253 /nfs/dbraw/zinc/27/22/53/212272253.db2.gz YHGMGJZUNQTMDT-ADKAHSJRSA-N 1 1 326.525 2.606 40 0 EFABMO Cc1nnsc1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000225558334 241926740 /nfs/dbraw/zinc/92/67/40/241926740.db2.gz RODPNNXLSWVHIM-VXGBXAGGSA-N 1 1 346.456 2.708 40 0 EFABMO O=C(NC[C@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225905466 242074782 /nfs/dbraw/zinc/07/47/82/242074782.db2.gz JTRSLFFZYOZOII-NVXWUHKLSA-N 1 1 336.863 2.847 40 0 EFABMO CCCc1nnc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000226751538 242113523 /nfs/dbraw/zinc/11/35/23/242113523.db2.gz WCHLFBAYCSVPQD-KGLIPLIRSA-N 1 1 330.457 2.775 40 0 EFABMO C[N@H+]1C[C@H](C(=O)NCCc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000226752797 242113678 /nfs/dbraw/zinc/11/36/78/242113678.db2.gz QCHFRUNUBBOCPV-MSOLQXFVSA-N 1 1 326.415 2.830 40 0 EFABMO CN1Cc2ccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cc2C1=O ZINC000230104100 242232125 /nfs/dbraw/zinc/23/21/25/242232125.db2.gz LQCSGYIDAUROJJ-OALUTQOASA-N 1 1 349.434 2.556 40 0 EFABMO Oc1ccc(Br)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000230181813 242244342 /nfs/dbraw/zinc/24/43/42/242244342.db2.gz WHGWAUVUKDLTFP-ZIAGYGMSSA-N 1 1 344.274 2.861 40 0 EFABMO Oc1ccc(Br)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000230181813 242244348 /nfs/dbraw/zinc/24/43/48/242244348.db2.gz WHGWAUVUKDLTFP-ZIAGYGMSSA-N 1 1 344.274 2.861 40 0 EFABMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cccc3cccnc32)C[C@H](C)O1 ZINC000021058381 212205074 /nfs/dbraw/zinc/20/50/74/212205074.db2.gz QNCATBYGQMOBLS-GASCZTMLSA-N 1 1 341.455 2.852 40 0 EFABMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cccc3cccnc32)C[C@H](C)O1 ZINC000021058381 212205075 /nfs/dbraw/zinc/20/50/75/212205075.db2.gz QNCATBYGQMOBLS-GASCZTMLSA-N 1 1 341.455 2.852 40 0 EFABMO C[N@@H+]1CC[C@H](CNC(=O)c2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289959 243104467 /nfs/dbraw/zinc/10/44/67/243104467.db2.gz GHJGJNAKFFGJMB-MLGOLLRUSA-N 1 1 348.809 2.692 40 0 EFABMO C[N@H+]1CC[C@H](CNC(=O)c2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289959 243104471 /nfs/dbraw/zinc/10/44/71/243104471.db2.gz GHJGJNAKFFGJMB-MLGOLLRUSA-N 1 1 348.809 2.692 40 0 EFABMO C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@H+]1CC1CCC1 ZINC000253591117 244028119 /nfs/dbraw/zinc/02/81/19/244028119.db2.gz JUVGNCRCOALQLR-AWEZNQCLSA-N 1 1 342.443 2.512 40 0 EFABMO C[C@H]1c2nc(CC(=O)NCc3ccco3)cn2CC[N@@H+]1CC1CCC1 ZINC000253591117 244028123 /nfs/dbraw/zinc/02/81/23/244028123.db2.gz JUVGNCRCOALQLR-AWEZNQCLSA-N 1 1 342.443 2.512 40 0 EFABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCn3ccnc3)cc2)C1 ZINC000020456316 212132175 /nfs/dbraw/zinc/13/21/75/212132175.db2.gz IHXDDBTYLYCPTA-KRWDZBQOSA-N 1 1 340.471 2.935 40 0 EFABMO COc1ccc([C@@H]2C[N@@H+](Cc3c(C)nn(C)c3C)CCN2C)cc1 ZINC000257202659 244124401 /nfs/dbraw/zinc/12/44/01/244124401.db2.gz AMTXHHMWMFWNIE-IBGZPJMESA-N 1 1 328.460 2.534 40 0 EFABMO C[N@H+]1CCN(Cc2cc[nH]n2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257217578 244172990 /nfs/dbraw/zinc/17/29/90/244172990.db2.gz CZOFTVGFBCCRHA-MRXNPFEDSA-N 1 1 335.455 2.564 40 0 EFABMO Cc1nn(C)cc1C[NH+]1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257218308 244174270 /nfs/dbraw/zinc/17/42/70/244174270.db2.gz DCPPSVPHZTUUOM-SFHVURJKSA-N 1 1 329.419 2.701 40 0 EFABMO c1ccc(C[NH+]2CCN(Cc3ccnc([C@@H]4CCCO4)n3)CC2)cc1 ZINC000257210422 244148482 /nfs/dbraw/zinc/14/84/82/244148482.db2.gz BUNMKJZTOCOGOM-IBGZPJMESA-N 1 1 338.455 2.646 40 0 EFABMO CN(C)c1cc(CC[C@@H]2CN(C(=O)c3ccsc3)CCO2)cc[nH+]1 ZINC000257214047 244161209 /nfs/dbraw/zinc/16/12/09/244161209.db2.gz CKHFJUUTZINXEK-MRXNPFEDSA-N 1 1 345.468 2.683 40 0 EFABMO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257227253 244203951 /nfs/dbraw/zinc/20/39/51/244203951.db2.gz FOIJERFKPXTDRE-MRXNPFEDSA-N 1 1 327.428 2.879 40 0 EFABMO CC(C)Oc1ccc([C@H]2CN(Cc3cncn3C)CC[N@@H+]2C)cc1 ZINC000257229430 244206024 /nfs/dbraw/zinc/20/60/24/244206024.db2.gz FYCNVFBYXZQSRO-LJQANCHMSA-N 1 1 328.460 2.696 40 0 EFABMO CC(C)Oc1ccc([C@H]2CN(Cc3cncn3C)CC[N@H+]2C)cc1 ZINC000257229430 244206030 /nfs/dbraw/zinc/20/60/30/244206030.db2.gz FYCNVFBYXZQSRO-LJQANCHMSA-N 1 1 328.460 2.696 40 0 EFABMO c1ccc2c(C[N@@H+]3CCOC[C@@H](Cc4cnccn4)C3)ccnc2c1 ZINC000257230120 244209731 /nfs/dbraw/zinc/20/97/31/244209731.db2.gz GAXWDSWTKNCNKW-INIZCTEOSA-N 1 1 334.423 2.716 40 0 EFABMO CNC(=O)C[NH+]1CCC(c2nccnc2Oc2ccc(C)cc2)CC1 ZINC000257243380 244249950 /nfs/dbraw/zinc/24/99/50/244249950.db2.gz IGRZXBMUFNWEIR-UHFFFAOYSA-N 1 1 340.427 2.503 40 0 EFABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2sccc2C)n1 ZINC000257244642 244252280 /nfs/dbraw/zinc/25/22/80/244252280.db2.gz IMEOHVOPCMYPFG-HNNXBMFYSA-N 1 1 330.457 2.820 40 0 EFABMO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2sccc2C)n1 ZINC000257244642 244252283 /nfs/dbraw/zinc/25/22/83/244252283.db2.gz IMEOHVOPCMYPFG-HNNXBMFYSA-N 1 1 330.457 2.820 40 0 EFABMO c1c[nH]c(-c2nccnc2C[C@H]2CCC[N@H+](Cc3cscn3)C2)n1 ZINC000257245227 244254875 /nfs/dbraw/zinc/25/48/75/244254875.db2.gz IOOQOMHVRLKOAB-CYBMUJFWSA-N 1 1 340.456 2.778 40 0 EFABMO c1c[nH]c(-c2nccnc2C[C@H]2CCC[N@@H+](Cc3cscn3)C2)n1 ZINC000257245227 244254878 /nfs/dbraw/zinc/25/48/78/244254878.db2.gz IOOQOMHVRLKOAB-CYBMUJFWSA-N 1 1 340.456 2.778 40 0 EFABMO CN(C)c1cc(CC[C@@H]2CN(Cc3ccc(F)cn3)CCO2)cc[nH+]1 ZINC000257237648 244232053 /nfs/dbraw/zinc/23/20/53/244232053.db2.gz HHLINSFZXWNIQL-GOSISDBHSA-N 1 1 344.434 2.515 40 0 EFABMO CN(C)c1cc(CC[C@H]2CN(Cc3ccc(F)cn3)CCO2)cc[nH+]1 ZINC000257237649 244232979 /nfs/dbraw/zinc/23/29/79/244232979.db2.gz HHLINSFZXWNIQL-SFHVURJKSA-N 1 1 344.434 2.515 40 0 EFABMO Cc1cccc(N2CCC[C@H](NC(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257238428 244236341 /nfs/dbraw/zinc/23/63/41/244236341.db2.gz HKYYZUMUIDRPFH-ZDUSSCGKSA-N 1 1 348.834 2.749 40 0 EFABMO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257240305 244241669 /nfs/dbraw/zinc/24/16/69/244241669.db2.gz HSYXUZAKBVBOTG-INIZCTEOSA-N 1 1 335.415 2.686 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257240305 244241675 /nfs/dbraw/zinc/24/16/75/244241675.db2.gz HSYXUZAKBVBOTG-INIZCTEOSA-N 1 1 335.415 2.686 40 0 EFABMO C[NH+]1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000020108056 212101451 /nfs/dbraw/zinc/10/14/51/212101451.db2.gz BXSQHXAZEPJNPU-UHFFFAOYSA-N 1 1 335.451 2.637 40 0 EFABMO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCOC[C@@H](Cc2ccncn2)C1 ZINC000257252501 244274212 /nfs/dbraw/zinc/27/42/12/244274212.db2.gz JVABTMGJBGGSJT-INIZCTEOSA-N 1 1 349.438 2.558 40 0 EFABMO CN(C)c1nc([C@@]2(C)CCC[N@H+](C3CCOCC3)C2)cn2cccc12 ZINC000257254089 244274833 /nfs/dbraw/zinc/27/48/33/244274833.db2.gz KBNRAMGKWDQJLB-FQEVSTJZSA-N 1 1 342.487 2.933 40 0 EFABMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257253601 244276649 /nfs/dbraw/zinc/27/66/49/244276649.db2.gz JZOAHHXGINYPSU-OAHLLOKOSA-N 1 1 337.427 2.582 40 0 EFABMO CCc1nc(C)c(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)[nH]1 ZINC000257254527 244279655 /nfs/dbraw/zinc/27/96/55/244279655.db2.gz KDMGGFFTYFXYNW-HKUYNNGSSA-N 1 1 347.434 2.824 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)[nH]1 ZINC000257254527 244279663 /nfs/dbraw/zinc/27/96/63/244279663.db2.gz KDMGGFFTYFXYNW-HKUYNNGSSA-N 1 1 347.434 2.824 40 0 EFABMO Cc1noc(C)c1CCC(=O)N[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000257257227 244284602 /nfs/dbraw/zinc/28/46/02/244284602.db2.gz KOQQMRSWISKBJL-INIZCTEOSA-N 1 1 342.443 2.713 40 0 EFABMO CNc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnc(C(C)C)nc3)C2)nn1 ZINC000257258410 244289705 /nfs/dbraw/zinc/28/97/05/244289705.db2.gz KTTDGKQHVSKRNI-HNNXBMFYSA-N 1 1 340.475 2.886 40 0 EFABMO Cc1c[nH]c(-c2cc(C)nc([C@H]3CC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257258427 244290405 /nfs/dbraw/zinc/29/04/05/244290405.db2.gz KTUQOWCBXSUNTM-ZDUSSCGKSA-N 1 1 340.456 2.930 40 0 EFABMO Cc1c[nH]c(-c2cncc(C[C@H]3CC[N@@H+](Cc4cncs4)C3)n2)n1 ZINC000257266393 244363497 /nfs/dbraw/zinc/36/34/97/244363497.db2.gz MCVFXAVEFZOOAX-CYBMUJFWSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H]1O ZINC000257260069 244345830 /nfs/dbraw/zinc/34/58/30/244345830.db2.gz LBEYEYKSCQDIDH-GUDVDZBRSA-N 1 1 339.439 2.565 40 0 EFABMO Cc1c[nH]c(-c2cnc(C[C@@H]3CC[N@H+](Cc4cscn4)C3)cn2)n1 ZINC000257260648 244348466 /nfs/dbraw/zinc/34/84/66/244348466.db2.gz LDSZAOVZVYUJRQ-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO Cc1c[nH]c(-c2cnc(C[C@@H]3CC[N@@H+](Cc4cscn4)C3)cn2)n1 ZINC000257260648 244348469 /nfs/dbraw/zinc/34/84/69/244348469.db2.gz LDSZAOVZVYUJRQ-ZDUSSCGKSA-N 1 1 340.456 2.696 40 0 EFABMO COc1ccc(OCC(=O)N2CCC[C@@]3(C)[C@@H]2CCC[N@H+]3C)cc1 ZINC000257265262 244358431 /nfs/dbraw/zinc/35/84/31/244358431.db2.gz LXXJHBSHFWVKLM-HKUYNNGSSA-N 1 1 332.444 2.549 40 0 EFABMO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2scnc2C)n1 ZINC000257265083 244358515 /nfs/dbraw/zinc/35/85/15/244358515.db2.gz LXGWQFVVCQGPPF-INIZCTEOSA-N 1 1 330.457 2.820 40 0 EFABMO c1nc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c[nH]1 ZINC000257274601 244388009 /nfs/dbraw/zinc/38/80/09/244388009.db2.gz NLUPPBMSRMPGOX-OALUTQOASA-N 1 1 327.428 2.750 40 0 EFABMO c1nc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)c[nH]1 ZINC000257274601 244388014 /nfs/dbraw/zinc/38/80/14/244388014.db2.gz NLUPPBMSRMPGOX-OALUTQOASA-N 1 1 327.428 2.750 40 0 EFABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@]12CCCO2 ZINC000257275733 244392363 /nfs/dbraw/zinc/39/23/63/244392363.db2.gz NQRBUZXCYQQVTN-DOTOQJQBSA-N 1 1 338.835 2.548 40 0 EFABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C[C@]12CCCO2 ZINC000257275733 244392366 /nfs/dbraw/zinc/39/23/66/244392366.db2.gz NQRBUZXCYQQVTN-DOTOQJQBSA-N 1 1 338.835 2.548 40 0 EFABMO CC(C)n1nccc1C[N@H+]1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257277090 244393992 /nfs/dbraw/zinc/39/39/92/244393992.db2.gz NWIZSQQKMYNXPL-UHFFFAOYSA-N 1 1 326.448 2.721 40 0 EFABMO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000257276267 244395015 /nfs/dbraw/zinc/39/50/15/244395015.db2.gz NTAYBMWHCBVYHL-MRXNPFEDSA-N 1 1 330.457 2.820 40 0 EFABMO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC000257276267 244395022 /nfs/dbraw/zinc/39/50/22/244395022.db2.gz NTAYBMWHCBVYHL-MRXNPFEDSA-N 1 1 330.457 2.820 40 0 EFABMO COCCc1ncc(C[NH+]2CCC(Oc3ccccc3F)CC2)cn1 ZINC000019658976 212054775 /nfs/dbraw/zinc/05/47/75/212054775.db2.gz CMTIUWIQNCOYGF-UHFFFAOYSA-N 1 1 345.418 2.848 40 0 EFABMO COCCc1ncc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cn1 ZINC000019658880 212054228 /nfs/dbraw/zinc/05/42/28/212054228.db2.gz JLEPVCSGALMWDF-UHFFFAOYSA-N 1 1 345.418 2.848 40 0 EFABMO COc1ccc2[nH]c(-c3cncn3[C@@H](C)C[NH+]3CCOCC3)cc2c1 ZINC000019654551 212053636 /nfs/dbraw/zinc/05/36/36/212053636.db2.gz ATJDOQYZPBUATE-AWEZNQCLSA-N 1 1 340.427 2.933 40 0 EFABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)ncc2C1 ZINC000019590376 212049173 /nfs/dbraw/zinc/04/91/73/212049173.db2.gz MCBWIDSBSFPQDH-JKSUJKDBSA-N 1 1 340.471 2.527 40 0 EFABMO CN(C(=O)C(F)F)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000019590841 212048796 /nfs/dbraw/zinc/04/87/96/212048796.db2.gz IOWACDDPZSRFON-UHFFFAOYSA-N 1 1 338.398 2.916 40 0 EFABMO C[N@H+]1CC[C@@H](c2ncc3c(n2)CCN(C(=O)CCC2CCCC2)C3)C1 ZINC000019587935 212048488 /nfs/dbraw/zinc/04/84/88/212048488.db2.gz FUGGSKLQNMFJDE-MRXNPFEDSA-N 1 1 342.487 2.751 40 0 EFABMO C[NH2+]C1CCC2(CC1)CN(Cc1cnn(C)c1)Cc1ccccc1O2 ZINC000019592021 212048232 /nfs/dbraw/zinc/04/82/32/212048232.db2.gz OGKGKHXOUZGMIZ-UHFFFAOYSA-N 1 1 340.471 2.716 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1 ZINC000019555140 212041589 /nfs/dbraw/zinc/04/15/89/212041589.db2.gz GGUDVISNCKKTJO-MRXNPFEDSA-N 1 1 339.439 2.578 40 0 EFABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)no1 ZINC000019503731 212035463 /nfs/dbraw/zinc/03/54/63/212035463.db2.gz IDNLUGYVAIUIRE-OAHLLOKOSA-N 1 1 328.416 2.589 40 0 EFABMO O=C1NC[C@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)Oc2ccccc21 ZINC000019374802 212023907 /nfs/dbraw/zinc/02/39/07/212023907.db2.gz LSRFQANUOPYWGL-FQEVSTJZSA-N 1 1 340.398 2.983 40 0 EFABMO O[C@@H]1C[C@H]2CN(CCc3ccccc3)[C@@H](Cc3ccccc3)C[N@H+]2C1 ZINC000019371353 212023110 /nfs/dbraw/zinc/02/31/10/212023110.db2.gz GAVRZYAYVCPRFU-FDFHNCONSA-N 1 1 336.479 2.591 40 0 EFABMO O[C@@H]1C[C@H]2C[N@H+](CCc3ccccc3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019371353 212023113 /nfs/dbraw/zinc/02/31/13/212023113.db2.gz GAVRZYAYVCPRFU-FDFHNCONSA-N 1 1 336.479 2.591 40 0 EFABMO O[C@@H]1C[C@H]2C[N@@H+](CCc3ccccc3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019371353 212023115 /nfs/dbraw/zinc/02/31/15/212023115.db2.gz GAVRZYAYVCPRFU-FDFHNCONSA-N 1 1 336.479 2.591 40 0 EFABMO O=C(N[C@H]1C[C@H]1C1CCCCC1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000095405364 284262542 /nfs/dbraw/zinc/26/25/42/284262542.db2.gz DYDQLEBLACJIKA-OALUTQOASA-N 1 1 349.519 2.852 40 0 EFABMO O=c1cc(-c2cccnc2)nc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]1 ZINC000019339106 212017770 /nfs/dbraw/zinc/01/77/70/212017770.db2.gz CSRWABVXGDHDMR-QGZVFWFLSA-N 1 1 347.422 2.607 40 0 EFABMO CN(Cc1cccs1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078062290 217017287 /nfs/dbraw/zinc/01/72/87/217017287.db2.gz OJBWWKZXPHKBAY-QGZVFWFLSA-N 1 1 330.453 2.608 40 0 EFABMO CN(Cc1cccs1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078062290 217017289 /nfs/dbraw/zinc/01/72/89/217017289.db2.gz OJBWWKZXPHKBAY-QGZVFWFLSA-N 1 1 330.453 2.608 40 0 EFABMO COc1cccc(C[N@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019289394 212011961 /nfs/dbraw/zinc/01/19/61/212011961.db2.gz VTIALMPDLOIZNM-HNNXBMFYSA-N 1 1 337.427 2.752 40 0 EFABMO Cn1cc(C[N@@H+]2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)cn1 ZINC000019290687 212011770 /nfs/dbraw/zinc/01/17/70/212011770.db2.gz QKJAOLZPVSNODF-AWEZNQCLSA-N 1 1 346.818 2.819 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)cn1 ZINC000019290687 212011772 /nfs/dbraw/zinc/01/17/72/212011772.db2.gz QKJAOLZPVSNODF-AWEZNQCLSA-N 1 1 346.818 2.819 40 0 EFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019289393 212011399 /nfs/dbraw/zinc/01/13/99/212011399.db2.gz VTIALMPDLOIZNM-OAHLLOKOSA-N 1 1 337.427 2.752 40 0 EFABMO COc1ccc(C[N@H+]2CCc3nc(C)[nH]c(=O)c3CC2)c2ccccc12 ZINC000019286432 212009807 /nfs/dbraw/zinc/00/98/07/212009807.db2.gz JIPTXCITJAHWQI-UHFFFAOYSA-N 1 1 349.434 2.841 40 0 EFABMO Cc1ccccc1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1Cc1ccccc1 ZINC000019237266 212008787 /nfs/dbraw/zinc/00/87/87/212008787.db2.gz HWCRZKYADOESCK-BHIFYINESA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1Cc1ccccc1 ZINC000019237266 212008790 /nfs/dbraw/zinc/00/87/90/212008790.db2.gz HWCRZKYADOESCK-BHIFYINESA-N 1 1 336.479 2.857 40 0 EFABMO Cc1ccccc1C[N@H+]1C[C@@H]2C[C@@H](O)CN2C[C@H]1Cc1ccccc1 ZINC000019237266 212008792 /nfs/dbraw/zinc/00/87/92/212008792.db2.gz HWCRZKYADOESCK-BHIFYINESA-N 1 1 336.479 2.857 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000078394355 217046935 /nfs/dbraw/zinc/04/69/35/217046935.db2.gz GDYMNHVGBNEXPA-KRWDZBQOSA-N 1 1 347.503 2.679 40 0 EFABMO CC(C)CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000078525804 217068877 /nfs/dbraw/zinc/06/88/77/217068877.db2.gz PXANCWMFMHYSFL-UHFFFAOYSA-N 1 1 344.459 2.751 40 0 EFABMO CCc1nc(C[NH+]2CCC(CNC(=O)c3ccco3)CC2)cs1 ZINC000078917453 217147893 /nfs/dbraw/zinc/14/78/93/217147893.db2.gz XZNVQXKLHLJFNF-UHFFFAOYSA-N 1 1 333.457 2.941 40 0 EFABMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CSc2ncc[nH]2)CC1 ZINC000078997424 217169890 /nfs/dbraw/zinc/16/98/90/217169890.db2.gz LRQXSHGPTIFDLB-UHFFFAOYSA-N 1 1 344.484 2.545 40 0 EFABMO CC(C)[N@@H+](CCN)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391839 217219272 /nfs/dbraw/zinc/21/92/72/217219272.db2.gz OXCIFJVZKXXPSL-SFHVURJKSA-N 1 1 333.476 2.704 40 0 EFABMO CC(C)N(CC[NH3+])C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391839 217219275 /nfs/dbraw/zinc/21/92/75/217219275.db2.gz OXCIFJVZKXXPSL-SFHVURJKSA-N 1 1 333.476 2.704 40 0 EFABMO CC(C)[N@@H+](CCN)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079391847 217219454 /nfs/dbraw/zinc/21/94/54/217219454.db2.gz CMOGGQYLBFWIAU-UHFFFAOYSA-N 1 1 333.476 2.893 40 0 EFABMO C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 ZINC000110646591 220051522 /nfs/dbraw/zinc/05/15/22/220051522.db2.gz MGDUFVRVUWORQY-DNVCBOLYSA-N 1 1 349.434 2.928 40 0 EFABMO C[C@@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccccc2)CO1 ZINC000110646591 220051524 /nfs/dbraw/zinc/05/15/24/220051524.db2.gz MGDUFVRVUWORQY-DNVCBOLYSA-N 1 1 349.434 2.928 40 0 EFABMO O=C(N[C@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1)OCc1ccccc1 ZINC000079390939 217217775 /nfs/dbraw/zinc/21/77/75/217217775.db2.gz NZZLMXNIPUTZKV-ZWKOTPCHSA-N 1 1 332.444 2.681 40 0 EFABMO CC(C)N(C[C@H]1CCCC[N@H+]1CCO)C(=O)OCc1ccccc1 ZINC000079411170 217222408 /nfs/dbraw/zinc/22/24/08/217222408.db2.gz GAVLVXZZRTYWJM-GOSISDBHSA-N 1 1 334.460 2.880 40 0 EFABMO C[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C[C@H]1CCOC1 ZINC000079498181 217235606 /nfs/dbraw/zinc/23/56/06/217235606.db2.gz BSSCCCZPQIRHNS-CQSZACIVSA-N 1 1 345.468 2.541 40 0 EFABMO C[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)C[C@H]1CCOC1 ZINC000079498181 217235610 /nfs/dbraw/zinc/23/56/10/217235610.db2.gz BSSCCCZPQIRHNS-CQSZACIVSA-N 1 1 345.468 2.541 40 0 EFABMO C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000079778797 217254130 /nfs/dbraw/zinc/25/41/30/217254130.db2.gz VAFDTSLKQUGORT-ZBFHGGJFSA-N 1 1 327.432 2.595 40 0 EFABMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000080079027 217277168 /nfs/dbraw/zinc/27/71/68/217277168.db2.gz TZRBKCWCHCMADT-HNNXBMFYSA-N 1 1 337.533 2.932 40 0 EFABMO COc1ccc(C2CC[NH+](CC(=O)Nc3cc(C)nn3C)CC2)cc1 ZINC000080630013 217320898 /nfs/dbraw/zinc/32/08/98/217320898.db2.gz RRSZUYYJZBHXRQ-UHFFFAOYSA-N 1 1 342.443 2.555 40 0 EFABMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccccc1N(C)C ZINC000078046884 296231633 /nfs/dbraw/zinc/23/16/33/296231633.db2.gz NMLGGAGOHLYIFH-AWEZNQCLSA-N 1 1 347.484 2.593 40 0 EFABMO CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1OC ZINC000012481043 211391851 /nfs/dbraw/zinc/39/18/51/211391851.db2.gz RJXDVOIIBCXFSL-MQVJKMGUSA-N 1 1 333.501 2.675 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1Cc1c(C)noc1C ZINC000012191764 211315192 /nfs/dbraw/zinc/31/51/92/211315192.db2.gz VUYJQZQKBOXBLB-INIZCTEOSA-N 1 1 330.428 2.705 40 0 EFABMO C[C@@H](C[N@H+]1CCc2nc(-c3cnccn3)[nH]c(=O)c2C1)c1ccccc1 ZINC000012220720 211322695 /nfs/dbraw/zinc/32/26/95/211322695.db2.gz PTNBHISUDWAWEG-AWEZNQCLSA-N 1 1 347.422 2.801 40 0 EFABMO COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1 ZINC000012121951 211298955 /nfs/dbraw/zinc/29/89/55/211298955.db2.gz KYCPKUGXZXVCQM-UHFFFAOYSA-N 1 1 348.406 2.811 40 0 EFABMO CCn1ncc(C[N@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)c1C ZINC000012119260 211297529 /nfs/dbraw/zinc/29/75/29/211297529.db2.gz NURMJZRHQQXONJ-INIZCTEOSA-N 1 1 340.427 2.956 40 0 EFABMO CCn1cc(NC(=O)C2CCN(c3cc[nH+]cc3Cl)CC2)cn1 ZINC000091484464 218012290 /nfs/dbraw/zinc/01/22/90/218012290.db2.gz JMEAEVCSTTVHQO-UHFFFAOYSA-N 1 1 333.823 2.807 40 0 EFABMO NC(=O)c1cc(OC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccn1 ZINC000093261018 218209116 /nfs/dbraw/zinc/20/91/16/218209116.db2.gz FCWIMKLYCVALEQ-UHFFFAOYSA-N 1 1 347.365 2.502 40 0 EFABMO CC(C)c1cc(N2CCC(OC3CCOCC3)CC2)nc(N(C)C)[nH+]1 ZINC000095403263 218338639 /nfs/dbraw/zinc/33/86/39/218338639.db2.gz UIACOZICLUXSIK-UHFFFAOYSA-N 1 1 348.491 2.830 40 0 EFABMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)NC1(CO)CCCC1 ZINC000095416122 218354772 /nfs/dbraw/zinc/35/47/72/218354772.db2.gz KMSZOKWMQNOQEX-SFHVURJKSA-N 1 1 345.487 2.503 40 0 EFABMO CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)ccc1F ZINC000095421752 218363760 /nfs/dbraw/zinc/36/37/60/218363760.db2.gz GCQNUPKROOGQGS-VIFPVBQESA-N 1 1 338.242 2.674 40 0 EFABMO COCCC1(C(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)CCC1 ZINC000095437783 218381101 /nfs/dbraw/zinc/38/11/01/218381101.db2.gz GWJPHKCGDQCEGJ-UHFFFAOYSA-N 1 1 337.851 2.590 40 0 EFABMO C[C@H](C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)[NH+]1CCSCC1 ZINC000095435614 218377717 /nfs/dbraw/zinc/37/77/17/218377717.db2.gz CKAAUSZZOWAVHS-RYRKJORJSA-N 1 1 348.512 2.708 40 0 EFABMO C[N@@H+]1CC[C@@H](CNC(=O)c2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447598 218391764 /nfs/dbraw/zinc/39/17/64/218391764.db2.gz WLAKFWOHVRZTBK-NHYWBVRUSA-N 1 1 337.782 2.890 40 0 EFABMO C[N@H+]1CC[C@@H](CNC(=O)c2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095447598 218391767 /nfs/dbraw/zinc/39/17/67/218391767.db2.gz WLAKFWOHVRZTBK-NHYWBVRUSA-N 1 1 337.782 2.890 40 0 EFABMO O=C1N(Cc2cccc(F)c2)CC[C@]12CC[N@@H+](Cc1nccs1)C2 ZINC000096050619 218540117 /nfs/dbraw/zinc/54/01/17/218540117.db2.gz PBBCMYNAENGKCG-SFHVURJKSA-N 1 1 345.443 2.907 40 0 EFABMO COCCC(=O)N1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071054 218569084 /nfs/dbraw/zinc/56/90/84/218569084.db2.gz OUOPVPNNLITTLM-GOSISDBHSA-N 1 1 336.863 2.943 40 0 EFABMO COC(C)(C)C[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000096439364 218819096 /nfs/dbraw/zinc/81/90/96/218819096.db2.gz JQHXGHXPUKXPBT-CYBMUJFWSA-N 1 1 345.447 2.579 40 0 EFABMO O=C(NCC[S@@](=O)c1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000096452089 218835116 /nfs/dbraw/zinc/83/51/16/218835116.db2.gz VMNNAMKUSSWFAV-GYCJOSAFSA-N 1 1 348.512 2.565 40 0 EFABMO CCOc1cccc(CCNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000097234384 219001886 /nfs/dbraw/zinc/00/18/86/219001886.db2.gz GMNGTXJUZDIFNE-PKOBYXMFSA-N 1 1 345.487 2.754 40 0 EFABMO COc1ccc(C)nc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000097378576 219020351 /nfs/dbraw/zinc/02/03/51/219020351.db2.gz RQEUSZSWSJDJEU-AWEZNQCLSA-N 1 1 329.404 2.600 40 0 EFABMO C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1c(F)cccc1Cl ZINC000187267173 533164774 /nfs/dbraw/zinc/16/47/74/533164774.db2.gz IFUKSZMVNKRJKS-GFCCVEGCSA-N 1 1 343.830 2.562 40 0 EFABMO O=C(Nc1ccc(Cl)cc1F)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119708159 221382993 /nfs/dbraw/zinc/38/29/93/221382993.db2.gz LWICMEBMDQVLTJ-LBPRGKRZSA-N 1 1 341.814 2.665 40 0 EFABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227892 257685965 /nfs/dbraw/zinc/68/59/65/257685965.db2.gz RBBYGEUSYVMVKH-HZPDHXFCSA-N 1 1 332.787 2.772 40 0 EFABMO COc1ccc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000330032894 258002548 /nfs/dbraw/zinc/00/25/48/258002548.db2.gz UAFWRUVIBPKRQZ-LPHOPBHVSA-N 1 1 340.471 2.828 40 0 EFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000072227091 258064354 /nfs/dbraw/zinc/06/43/54/258064354.db2.gz LTHALKTUKXCXQS-SJORKVTESA-N 1 1 346.814 2.768 40 0 EFABMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000055134817 132194061 /nfs/dbraw/zinc/19/40/61/132194061.db2.gz YXVYFARHGAKOIP-UHFFFAOYSA-N 1 1 343.858 2.892 40 0 EFABMO CCOC[C@]1([NH3+])[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218052412 286181343 /nfs/dbraw/zinc/18/13/43/286181343.db2.gz YSNHSYXJKRXCSS-QYZOEREBSA-N 1 1 345.464 2.669 40 0 EFABMO C[N@@H+](Cc1csc2ccccc12)C1CCN(S(C)(=O)=O)CC1 ZINC000121310579 221812417 /nfs/dbraw/zinc/81/24/17/221812417.db2.gz NAWAXAVVUYYQIJ-UHFFFAOYSA-N 1 1 338.498 2.757 40 0 EFABMO COc1cc2c(cc1C[N@H+]1CC[C@](O)(c3ccccc3)C1)OCCO2 ZINC000019550536 274101478 /nfs/dbraw/zinc/10/14/78/274101478.db2.gz MUQZUFMQENGHER-HXUWFJFHSA-N 1 1 341.407 2.560 40 0 EFABMO CCOc1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1OCC ZINC000286739581 274263104 /nfs/dbraw/zinc/26/31/04/274263104.db2.gz CCRFGCCFSJLSKH-KRWDZBQOSA-N 1 1 346.471 2.928 40 0 EFABMO Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)c2ccc(F)c(F)c2n1 ZINC000195580494 274709760 /nfs/dbraw/zinc/70/97/60/274709760.db2.gz ICAYLNZSAXPLBX-CYBMUJFWSA-N 1 1 333.382 2.732 40 0 EFABMO O=C(c1cscn1)N1CCC[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096158118 275015806 /nfs/dbraw/zinc/01/58/06/275015806.db2.gz IVBPQFASJMTRLC-GOSISDBHSA-N 1 1 342.468 2.666 40 0 EFABMO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCCN(c2ccccn2)CC1 ZINC000192187827 275025073 /nfs/dbraw/zinc/02/50/73/275025073.db2.gz UETIZNIZIGIURD-SFHVURJKSA-N 1 1 336.439 2.547 40 0 EFABMO CCN1CC[NH+](CCC(=O)N2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000076472128 276194456 /nfs/dbraw/zinc/19/44/56/276194456.db2.gz WEMFGYJMXZCRSH-AZUAARDMSA-N 1 1 343.515 2.666 40 0 EFABMO CN(C)c1[nH+]cc(CNC(=O)Nc2ccccc2C(F)(F)F)n1C ZINC000079358800 276812898 /nfs/dbraw/zinc/81/28/98/276812898.db2.gz PZWMOSWREWYZSN-UHFFFAOYSA-N 1 1 341.337 2.827 40 0 EFABMO COCC[N@@H+]1CCN(C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367906 277224749 /nfs/dbraw/zinc/22/47/49/277224749.db2.gz NQCIBVRWQBGVIM-OAHLLOKOSA-N 1 1 330.350 2.557 40 0 EFABMO COCC[N@H+]1CCN(C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000072367906 277224750 /nfs/dbraw/zinc/22/47/50/277224750.db2.gz NQCIBVRWQBGVIM-OAHLLOKOSA-N 1 1 330.350 2.557 40 0 EFABMO CNC(=O)[C@]1(CCCc2ccncc2)CCC[N@H+]1Cc1ccccn1 ZINC000072367251 277255478 /nfs/dbraw/zinc/25/54/78/277255478.db2.gz ZNLBHXIBBRQIAV-FQEVSTJZSA-N 1 1 338.455 2.580 40 0 EFABMO CC(=O)N1CC[N@@H+](CCCOCC(F)(F)F)CC12CCCCC2 ZINC000253418327 278040873 /nfs/dbraw/zinc/04/08/73/278040873.db2.gz JABICXBEXLLGHF-UHFFFAOYSA-N 1 1 336.398 2.822 40 0 EFABMO COc1ccccc1N1CC[C@H]([N@H+](C)[C@@H](C)c2ccncc2)C1=O ZINC000248707046 278054815 /nfs/dbraw/zinc/05/48/15/278054815.db2.gz ASZIWCSFJUBEGO-YOEHRIQHSA-N 1 1 325.412 2.889 40 0 EFABMO COc1ccccc1N1CC[C@H]([N@@H+](C)[C@@H](C)c2ccncc2)C1=O ZINC000248707046 278054816 /nfs/dbraw/zinc/05/48/16/278054816.db2.gz ASZIWCSFJUBEGO-YOEHRIQHSA-N 1 1 325.412 2.889 40 0 EFABMO Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096081457 281192387 /nfs/dbraw/zinc/19/23/87/281192387.db2.gz SWRGANKUIZRHKE-VQTJNVASSA-N 1 1 335.451 2.984 40 0 EFABMO Cc1cccc(N2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)[nH+]1 ZINC000096158313 281229134 /nfs/dbraw/zinc/22/91/34/281229134.db2.gz HGVRXZBMIIMIDK-GOSISDBHSA-N 1 1 327.407 2.816 40 0 EFABMO COc1ccc2c3c1OC1=C[C@@H](C(C)(C)O)C=C4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000096316430 295278387 /nfs/dbraw/zinc/27/83/87/295278387.db2.gz JSOHAHOCGKYFFC-QDUSTFBWSA-N 1 1 339.435 2.797 40 0 biogenic,in-vitro EFABMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000085787228 302149865 /nfs/dbraw/zinc/14/98/65/302149865.db2.gz KQUQAUJKYOFORL-WMZOPIPTSA-N 1 1 336.501 2.804 40 0 EFABMO CCc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000097101359 323213982 /nfs/dbraw/zinc/21/39/82/323213982.db2.gz NZIQRMDPJHDAEQ-AWEZNQCLSA-N 1 1 335.423 2.574 40 0 EFABMO CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2C(C)(C)O)c1 ZINC000097375949 323214779 /nfs/dbraw/zinc/21/47/79/323214779.db2.gz IBEOEHAEOZGPQX-QGZVFWFLSA-N 1 1 333.476 2.583 40 0 EFABMO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccccc3O)n[nH]2)cc1OC ZINC000095534222 473223476 /nfs/dbraw/zinc/22/34/76/473223476.db2.gz GJPLMZQWEMWITD-INIZCTEOSA-N 1 1 340.383 2.633 40 0 EFABMO c1ccc(OC[C@]23CCCO[C@@H]2CC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096040437 473260927 /nfs/dbraw/zinc/26/09/27/473260927.db2.gz IDSAUYJZXLFONT-UYAOXDASSA-N 1 1 346.471 2.758 40 0 EFABMO c1cncc(OC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2ccncc2)C3)c1 ZINC000096039994 473260067 /nfs/dbraw/zinc/26/00/67/473260067.db2.gz HVRVWFYCULTIII-PMACEKPBSA-N 1 1 339.439 2.927 40 0 EFABMO c1cncc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3cccnc3)C2)c1 ZINC000096039991 473260321 /nfs/dbraw/zinc/26/03/21/473260321.db2.gz TUKOXHNVZJMZNW-VQTJNVASSA-N 1 1 339.439 2.927 40 0 EFABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000096039146 473260484 /nfs/dbraw/zinc/26/04/84/473260484.db2.gz NUDSVTVLBMFOIE-OALUTQOASA-N 1 1 335.444 2.721 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@@H+](CC2CCOCC2)C3)nc1 ZINC000096040438 473261053 /nfs/dbraw/zinc/26/10/53/473261053.db2.gz IDSAUYJZXLFONT-ICSRJNTNSA-N 1 1 346.471 2.758 40 0 EFABMO c1ccc(OC[C@@]23CCCO[C@H]2CC[N@H+](C2CCOCC2)C3)nc1 ZINC000096040442 473261317 /nfs/dbraw/zinc/26/13/17/473261317.db2.gz CAKIHSVVOFRMSV-HKUYNNGSSA-N 1 1 332.444 2.511 40 0 EFABMO Cc1ncccc1NC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096041059 473261887 /nfs/dbraw/zinc/26/18/87/473261887.db2.gz ZUJREAAVLHGKIC-WBAXXEDZSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ncccc1NC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]2O1 ZINC000096041059 473261889 /nfs/dbraw/zinc/26/18/89/473261889.db2.gz ZUJREAAVLHGKIC-WBAXXEDZSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096042481 473265682 /nfs/dbraw/zinc/26/56/82/473265682.db2.gz PTTQGZYSQZXAKR-NUJGCVRESA-N 1 1 345.468 2.795 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@H+](Cc3ccco3)C[C@H]2O1 ZINC000096043026 473265061 /nfs/dbraw/zinc/26/50/61/473265061.db2.gz RYMPFUYACYXSRD-RRQGHBQHSA-N 1 1 346.452 2.637 40 0 EFABMO O=C(NCc1cccs1)[C@@H]1C[C@@H]2CC[N@@H+](Cc3ccco3)C[C@H]2O1 ZINC000096043026 473265064 /nfs/dbraw/zinc/26/50/64/473265064.db2.gz RYMPFUYACYXSRD-RRQGHBQHSA-N 1 1 346.452 2.637 40 0 EFABMO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096043506 473265213 /nfs/dbraw/zinc/26/52/13/473265213.db2.gz DPBLRXMWVMYGPF-KZNAEPCWSA-N 1 1 341.411 2.540 40 0 EFABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042852 473265363 /nfs/dbraw/zinc/26/53/63/473265363.db2.gz UCVUYFGUAWEVPQ-CGTJXYLNSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1ncccc1NC(=O)[C@H]1C[C@@H]2CC[N@@H+](Cc3ccoc3)C[C@H]2O1 ZINC000096042852 473265368 /nfs/dbraw/zinc/26/53/68/473265368.db2.gz UCVUYFGUAWEVPQ-CGTJXYLNSA-N 1 1 341.411 2.601 40 0 EFABMO Cc1noc(C)c1C[N@H+]1C[C@@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 ZINC000096042539 473265468 /nfs/dbraw/zinc/26/54/68/473265468.db2.gz RPNREUWDWCULEF-QRVBRYPASA-N 1 1 343.427 2.635 40 0 EFABMO O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CC[N@H+](C3CCCC3)C[C@@H]21 ZINC000096043512 473266017 /nfs/dbraw/zinc/26/60/17/473266017.db2.gz DQKVFECPBGTEMO-KZNAEPCWSA-N 1 1 329.444 2.690 40 0 EFABMO CN(C)c1nccc([C@@H]2C[C@@H]3CC[N@@H+](Cc4ccsc4)C[C@H]3O2)n1 ZINC000096046382 473267192 /nfs/dbraw/zinc/26/71/92/473267192.db2.gz QFMBWSOYUZKTJQ-BHYGNILZSA-N 1 1 344.484 2.956 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)c2cnccn2)C3)o1 ZINC000096047074 473269128 /nfs/dbraw/zinc/26/91/28/473269128.db2.gz CIKPKFPYRVMNCG-IBGZPJMESA-N 1 1 340.427 2.506 40 0 EFABMO Cn1cc(CN2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)cn1 ZINC000096046973 473269211 /nfs/dbraw/zinc/26/92/11/473269211.db2.gz ZYLRBUYAAOTOQP-SFHVURJKSA-N 1 1 330.501 2.970 40 0 EFABMO CS(=O)(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096047422 473269392 /nfs/dbraw/zinc/26/93/92/473269392.db2.gz PMQWFVXLGHYRPF-KRWDZBQOSA-N 1 1 340.464 2.606 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)cn1 ZINC000096046995 473269497 /nfs/dbraw/zinc/26/94/97/473269497.db2.gz FNLKNYKIXFRNRR-SFHVURJKSA-N 1 1 344.484 2.610 40 0 EFABMO COCCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000096047526 473269601 /nfs/dbraw/zinc/26/96/01/473269601.db2.gz MKTHOYTYHHMCNQ-HXUWFJFHSA-N 1 1 346.471 2.689 40 0 EFABMO COc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047616 473269905 /nfs/dbraw/zinc/26/99/05/473269905.db2.gz BQVYKLFFDUZCFZ-CRAIPNDOSA-N 1 1 345.468 2.997 40 0 EFABMO COc1ccc(N[C@H]2CO[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)cc1 ZINC000096047616 473269911 /nfs/dbraw/zinc/26/99/11/473269911.db2.gz BQVYKLFFDUZCFZ-CRAIPNDOSA-N 1 1 345.468 2.997 40 0 EFABMO O=C1N(Cc2cccnc2)CC[C@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096048612 473270848 /nfs/dbraw/zinc/27/08/48/473270848.db2.gz LAYPXOUTCWGUNZ-IBGZPJMESA-N 1 1 325.412 2.689 40 0 EFABMO c1cncc(O[C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096048285 473270979 /nfs/dbraw/zinc/27/09/79/473270979.db2.gz HQMFHDUGDMPZQL-OALUTQOASA-N 1 1 332.444 2.511 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)o1 ZINC000096048505 473270996 /nfs/dbraw/zinc/27/09/96/473270996.db2.gz QGHHWOWFABPJQQ-MAUKXSAKSA-N 1 1 346.406 2.753 40 0 EFABMO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+](Cc1cccs1)CCO2 ZINC000096049110 473271149 /nfs/dbraw/zinc/27/11/49/473271149.db2.gz QPAYQXSWZXSZOW-GOSISDBHSA-N 1 1 346.452 2.848 40 0 EFABMO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+](Cc1cccs1)CCO2 ZINC000096049110 473271159 /nfs/dbraw/zinc/27/11/59/473271159.db2.gz QPAYQXSWZXSZOW-GOSISDBHSA-N 1 1 346.452 2.848 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1 ZINC000096048560 473271580 /nfs/dbraw/zinc/27/15/80/473271580.db2.gz ZSUPZBRVNNTAMD-HKUYNNGSSA-N 1 1 327.428 2.888 40 0 EFABMO CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccsc1)C2 ZINC000096048597 473272049 /nfs/dbraw/zinc/27/20/49/473272049.db2.gz MTCGWDNPIHAOMY-FUHWJXTLSA-N 1 1 344.484 2.798 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3ccccn3)C2)CN1c1cccc(F)c1 ZINC000096050729 473273351 /nfs/dbraw/zinc/27/33/51/473273351.db2.gz YRAZNFYEQXQQBX-IBGZPJMESA-N 1 1 325.387 2.850 40 0 EFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(c2nncs2)C3)o1 ZINC000096049669 473273514 /nfs/dbraw/zinc/27/35/14/473273514.db2.gz RMJUTJRHBSQBQP-QGZVFWFLSA-N 1 1 348.472 2.559 40 0 EFABMO COc1cccc(CN2CC[C@]3(CC[N@@H+](Cc4ccco4)C3)C2=O)c1 ZINC000096050649 473273677 /nfs/dbraw/zinc/27/36/77/473273677.db2.gz YMMHPAJFEYUELG-FQEVSTJZSA-N 1 1 340.423 2.913 40 0 EFABMO c1cc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)cs1 ZINC000096049628 473274428 /nfs/dbraw/zinc/27/44/28/473274428.db2.gz DVFAHDVHXIXTDY-SFHVURJKSA-N 1 1 344.484 2.657 40 0 EFABMO CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1cccs1)C2 ZINC000096051978 473275453 /nfs/dbraw/zinc/27/54/53/473275453.db2.gz WQGHIKMQBOWTSA-AEFFLSMTSA-N 1 1 338.517 2.696 40 0 EFABMO CC(C)[N@@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(Cc1cccs1)C2 ZINC000096051978 473275459 /nfs/dbraw/zinc/27/54/59/473275459.db2.gz WQGHIKMQBOWTSA-AEFFLSMTSA-N 1 1 338.517 2.696 40 0 EFABMO Cc1ccc(C[N@H+]2C[C@H](C(=O)NCC3CC3)C3(C2)CCOCC3)s1 ZINC000096052133 473275851 /nfs/dbraw/zinc/27/58/51/473275851.db2.gz OPVIFBSVMAENJW-QGZVFWFLSA-N 1 1 348.512 2.811 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3Cc2cccc(C)n2)o1 ZINC000096054037 473276785 /nfs/dbraw/zinc/27/67/85/473276785.db2.gz WBCUVVHJHZRSGA-ROUUACIJSA-N 1 1 325.412 2.667 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096053894 473276868 /nfs/dbraw/zinc/27/68/68/473276868.db2.gz SCLLUZLHCYEOKB-IYBDPMFKSA-N 1 1 328.387 2.931 40 0 EFABMO Cn1cc(C[N@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cn1 ZINC000096051146 473276981 /nfs/dbraw/zinc/27/69/81/473276981.db2.gz NZLOFNMMUHBNHB-KRWDZBQOSA-N 1 1 347.413 2.553 40 0 EFABMO O=C1[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054630 473279635 /nfs/dbraw/zinc/27/96/35/473279635.db2.gz AZDPAACSFPFGPV-RDJZCZTQSA-N 1 1 327.453 2.624 40 0 EFABMO O=C1C[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)N1Cc1ccncc1 ZINC000096055682 473277977 /nfs/dbraw/zinc/27/79/77/473277977.db2.gz XMKOHBQNZFROIZ-ZWKOTPCHSA-N 1 1 325.387 2.596 40 0 EFABMO c1cc(CN2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cs1 ZINC000096055031 473278336 /nfs/dbraw/zinc/27/83/36/473278336.db2.gz JHQVMIFJKJYNCS-QZTJIDSGSA-N 1 1 329.469 2.618 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)cc1 ZINC000096058191 473281920 /nfs/dbraw/zinc/28/19/20/473281920.db2.gz CSTCOCILUVJCSY-USXIJHARSA-N 1 1 329.400 2.739 40 0 EFABMO CCOC[C@H]1C[N@H+](Cc2ccncc2)Cc2cn(CC3CC3)nc21 ZINC000096059975 473283416 /nfs/dbraw/zinc/28/34/16/473283416.db2.gz FBJKYSBZKBTYMN-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO CCOC[C@H]1C[N@@H+](Cc2ccncc2)Cc2cn(CC3CC3)nc21 ZINC000096059975 473283423 /nfs/dbraw/zinc/28/34/23/473283423.db2.gz FBJKYSBZKBTYMN-GOSISDBHSA-N 1 1 326.444 2.824 40 0 EFABMO c1ccc(C[C@H]2[C@H](N3CCOCC3)CC[N@H+]2Cc2ccncc2)cc1 ZINC000096061691 473284988 /nfs/dbraw/zinc/28/49/88/473284988.db2.gz VDOYIYNXMKQFAU-RTWAWAEBSA-N 1 1 337.467 2.599 40 0 EFABMO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@@]34N=C(c3ccccc3)NC4=O)C2)o1 ZINC000096061749 473285083 /nfs/dbraw/zinc/28/50/83/473285083.db2.gz PLAURPPHVCQFGQ-PLMTUMEDSA-N 1 1 349.434 2.745 40 0 EFABMO COCCN1CC[N@H+](Cc2ccc(OC)cc2)Cc2cccnc21 ZINC000096060928 473285909 /nfs/dbraw/zinc/28/59/09/473285909.db2.gz HUEWSAYPHONTQJ-UHFFFAOYSA-N 1 1 327.428 2.559 40 0 EFABMO COCCN1CC[N@@H+](Cc2ccc(OC)cc2)Cc2cccnc21 ZINC000096060928 473285917 /nfs/dbraw/zinc/28/59/17/473285917.db2.gz HUEWSAYPHONTQJ-UHFFFAOYSA-N 1 1 327.428 2.559 40 0 EFABMO CC[C@@H]1[N@@H+](Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2 ZINC000096063554 473286683 /nfs/dbraw/zinc/28/66/83/473286683.db2.gz NSUTYSMGCJYIJU-HKUYNNGSSA-N 1 1 332.444 2.727 40 0 EFABMO O=C(Nc1cccnc1)[C@H]1CO[C@H]2CC[N@@H+](Cc3ccco3)C[C@H]2C1 ZINC000096066044 473288094 /nfs/dbraw/zinc/28/80/94/473288094.db2.gz SEJLQVPHZGDBML-RKVPGOIHSA-N 1 1 341.411 2.540 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@]3(CCN(C(=O)C(C)C)C3)C2)cc1F ZINC000096071108 473289190 /nfs/dbraw/zinc/28/91/90/473289190.db2.gz SVRVFKRTBACAQK-IBGZPJMESA-N 1 1 334.435 2.915 40 0 EFABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)N(C)C)C3)cc1 ZINC000096071593 473289519 /nfs/dbraw/zinc/28/95/19/473289519.db2.gz IKPKOMHGDZADFN-IBGZPJMESA-N 1 1 331.460 2.665 40 0 EFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 ZINC000096077371 473290632 /nfs/dbraw/zinc/29/06/32/473290632.db2.gz VQKHZZIOMSNJEB-LJQANCHMSA-N 1 1 325.412 2.920 40 0 EFABMO O=C(c1ccncc1)N1CCC2(CCC[N@H+]2Cc2cccnc2)CC1 ZINC000096075373 473290747 /nfs/dbraw/zinc/29/07/47/473290747.db2.gz VMIUDQYEXWVZDD-UHFFFAOYSA-N 1 1 336.439 2.747 40 0 EFABMO COc1ncccc1CN1CCC[C@@]2(C[C@@H](C[N@H+](C)C3CC3)CO2)C1 ZINC000096075657 473290862 /nfs/dbraw/zinc/29/08/62/473290862.db2.gz IOMFUNZZLXZSCQ-OXJNMPFZSA-N 1 1 345.487 2.556 40 0 EFABMO COc1ncccc1CN1CCC[C@@]2(C[C@@H](C[N@@H+](C)C3CC3)CO2)C1 ZINC000096075657 473290866 /nfs/dbraw/zinc/29/08/66/473290866.db2.gz IOMFUNZZLXZSCQ-OXJNMPFZSA-N 1 1 345.487 2.556 40 0 EFABMO Cc1cccc(CN2CCO[C@H]3C[N@@H+](CC4CCCCC4)C[C@H]32)n1 ZINC000096081822 473292685 /nfs/dbraw/zinc/29/26/85/473292685.db2.gz OXQNEMQJPIHWOD-UXHICEINSA-N 1 1 329.488 2.855 40 0 EFABMO Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC000096092248 473293106 /nfs/dbraw/zinc/29/31/06/473293106.db2.gz PDKLIGNTGLOVQH-AQNXPRMDSA-N 1 1 342.483 2.606 40 0 EFABMO Cc1ncsc1C[N@H+]1CC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107860 473299867 /nfs/dbraw/zinc/29/98/67/473299867.db2.gz NSWVYLLMBBXMQU-DYVFJYSZSA-N 1 1 349.431 2.798 40 0 EFABMO O=C(c1cccnc1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccn1)C2 ZINC000096100632 473296641 /nfs/dbraw/zinc/29/66/41/473296641.db2.gz PJELPJGNAAIYBB-HXUWFJFHSA-N 1 1 336.439 2.605 40 0 EFABMO CO[C@H]1CCN(C(=O)c2cccs2)[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]21 ZINC000096109497 473301906 /nfs/dbraw/zinc/30/19/06/473301906.db2.gz JEKZFWVYSLBXFK-XHSDSOJGSA-N 1 1 346.452 2.703 40 0 EFABMO Fc1cccc(O[C@@H]2C[C@H]3CN(Cc4cccnc4)CC[N@H+]3C2)c1 ZINC000096110704 473303502 /nfs/dbraw/zinc/30/35/02/473303502.db2.gz JSBVORPPEWRCAE-PKOBYXMFSA-N 1 1 327.403 2.558 40 0 EFABMO COc1ccc(C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@H]2OC)cc1 ZINC000096110233 473304060 /nfs/dbraw/zinc/30/40/60/473304060.db2.gz FMQZHCPUZRIZHS-PKOBYXMFSA-N 1 1 329.444 2.508 40 0 EFABMO Cc1ccc2nc(CO[C@H]3CN(C4CC[NH+](C)CC4)C[C@H]3F)[nH]c2c1 ZINC000096112307 473305336 /nfs/dbraw/zinc/30/53/36/473305336.db2.gz SVTWCCXWCOOYGV-QAPCUYQASA-N 1 1 346.450 2.504 40 0 biogenic,in-vitro EFABMO O=C1N(c2cccnc2)CC[C@@]12CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096159509 473319213 /nfs/dbraw/zinc/31/92/13/473319213.db2.gz IHEFVGKIVMFGGT-LJQANCHMSA-N 1 1 325.387 2.850 40 0 EFABMO O=C(c1ccco1)N1CC[N@H+]2C[C@H](OCc3ccccc3F)C[C@H]2C1 ZINC000096183576 473324051 /nfs/dbraw/zinc/32/40/51/473324051.db2.gz PNWAFAOTSPDMQN-JKSUJKDBSA-N 1 1 344.386 2.534 40 0 EFABMO Cc1cc(C[N@H+]2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)oc1C ZINC000096185054 473326812 /nfs/dbraw/zinc/32/68/12/473326812.db2.gz OPKLGAZBFWTYCW-OTWHNJEPSA-N 1 1 335.444 2.539 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3C(=O)c2cncc(C)c2)o1 ZINC000096184689 473327609 /nfs/dbraw/zinc/32/76/09/473327609.db2.gz CEXGBJZOKRQOIY-ZWKOTPCHSA-N 1 1 325.412 2.780 40 0 EFABMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CCOCC2)c1 ZINC000096186340 473328935 /nfs/dbraw/zinc/32/89/35/473328935.db2.gz CNNVNWLYMMRHCX-PMACEKPBSA-N 1 1 342.483 2.987 40 0 EFABMO O=C(NCc1ccco1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2cccs2)O1 ZINC000096187272 473329474 /nfs/dbraw/zinc/32/94/74/473329474.db2.gz GGQPCPCZUGWXGH-BRWVUGGUSA-N 1 1 346.452 2.779 40 0 EFABMO O=C(NCc1cncc2c1CC[N@H+](Cc1cccnc1)C2)c1ccco1 ZINC000096189505 473331531 /nfs/dbraw/zinc/33/15/31/473331531.db2.gz XUAVAPWWSHNOBY-UHFFFAOYSA-N 1 1 348.406 2.558 40 0 EFABMO O=C(NCc1cncc2c1CC[N@@H+](Cc1cccnc1)C2)c1ccco1 ZINC000096189505 473331535 /nfs/dbraw/zinc/33/15/35/473331535.db2.gz XUAVAPWWSHNOBY-UHFFFAOYSA-N 1 1 348.406 2.558 40 0 EFABMO c1cc(C[N@H+]2CCc3ncc(CN4CCCCC4)n3CC2)cs1 ZINC000096196880 473332693 /nfs/dbraw/zinc/33/26/93/473332693.db2.gz LXTYZQNTXMTHNB-UHFFFAOYSA-N 1 1 330.501 2.989 40 0 EFABMO c1cc(C[N@@H+]2CCc3ncc(CN4CCCCC4)n3CC2)cs1 ZINC000096196880 473332702 /nfs/dbraw/zinc/33/27/02/473332702.db2.gz LXTYZQNTXMTHNB-UHFFFAOYSA-N 1 1 330.501 2.989 40 0 EFABMO COc1ccc(C[N@H+]2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)cc1 ZINC000096198016 473333962 /nfs/dbraw/zinc/33/39/62/473333962.db2.gz IHSXBLQWSUNQLA-GOSISDBHSA-N 1 1 341.455 2.955 40 0 EFABMO COc1ccc(C[N@@H+]2Cc3cn(C)nc3[C@@H](COCC3CC3)C2)cc1 ZINC000096198016 473333971 /nfs/dbraw/zinc/33/39/71/473333971.db2.gz IHSXBLQWSUNQLA-GOSISDBHSA-N 1 1 341.455 2.955 40 0 EFABMO COCCO[C@H]1CC[N@@H+](Cc2c(C)noc2C)[C@H]1Cc1cccnc1 ZINC000096200509 473335073 /nfs/dbraw/zinc/33/50/73/473335073.db2.gz AWHQENOQHWHWKU-OALUTQOASA-N 1 1 345.443 2.535 40 0 EFABMO COCCN1CCN(C(=O)c2ccc(F)cc2)Cc2ccc(C)[nH+]c21 ZINC000096199032 473336199 /nfs/dbraw/zinc/33/61/99/473336199.db2.gz ZJVHSMZDTQVBLV-UHFFFAOYSA-N 1 1 343.402 2.638 40 0 EFABMO O=C(NC[C@@H]1CCC[C@]2(CC[N@H+](Cc3ccccc3F)C2)O1)C1CC1 ZINC000096207675 473343527 /nfs/dbraw/zinc/34/35/27/473343527.db2.gz LFNXJVPHERQYFN-FXAWDEMLSA-N 1 1 346.446 2.866 40 0 EFABMO c1csc(C[N@H+]2C[C@@H]3COC[C@]3(Cc3nnc(C4CC4)o3)C2)c1 ZINC000096208064 473343583 /nfs/dbraw/zinc/34/35/83/473343583.db2.gz OVSJUBRZSQRPPB-DYVFJYSZSA-N 1 1 331.441 2.700 40 0 EFABMO COC[C@H]1CC2(C[N@H+]1C)CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000096207739 473343605 /nfs/dbraw/zinc/34/36/05/473343605.db2.gz UXWTYZXMGHMDDS-LLYBFZRZSA-N 1 1 334.485 2.721 40 0 EFABMO CC(C)[N@H+]1CC[C@H]2[C@@H](CC(=O)NCCc3cccs3)OC[C@H]2C1 ZINC000096206466 473340128 /nfs/dbraw/zinc/34/01/28/473340128.db2.gz OCTAPIZKLXIKJI-DJIMGWMZSA-N 1 1 336.501 2.542 40 0 EFABMO c1csc(C[NH+]2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)n1 ZINC000096206305 473340391 /nfs/dbraw/zinc/34/03/91/473340391.db2.gz FVZPRVUDRTYNBS-AWEZNQCLSA-N 1 1 331.441 2.741 40 0 EFABMO C[N@H+]1[C@H](COCC2CC2)CCC12CCN(Cc1ccncc1)CC2 ZINC000096206777 473340451 /nfs/dbraw/zinc/34/04/51/473340451.db2.gz CDTOBHZCEGTWOH-IBGZPJMESA-N 1 1 329.488 2.937 40 0 EFABMO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1)N1CCCC1 ZINC000096206231 473341218 /nfs/dbraw/zinc/34/12/18/473341218.db2.gz AAJQEBCHQCWKDK-SJLPKXTDSA-N 1 1 349.500 2.677 40 0 EFABMO Cc1ncsc1CN1C[C@@H]2C[N@@H+](Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342569 /nfs/dbraw/zinc/34/25/69/473342569.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 1 1 349.525 2.846 40 0 EFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342572 /nfs/dbraw/zinc/34/25/72/473342572.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 1 1 349.525 2.846 40 0 EFABMO Cc1ncsc1C[N@H+]1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 ZINC000096207374 473342581 /nfs/dbraw/zinc/34/25/81/473342581.db2.gz WPCNZUCJEIRZSI-JKSUJKDBSA-N 1 1 349.525 2.846 40 0 EFABMO O=C(NC[C@H]1CCC[C@]2(CC[N@H+](C3CCC3)C2)O1)c1ccccc1 ZINC000096207733 473342747 /nfs/dbraw/zinc/34/27/47/473342747.db2.gz RCZXUHXKNXGBEW-UYAOXDASSA-N 1 1 328.456 2.983 40 0 EFABMO C[N@H+]1[C@@H](COCC2CC2)CCC12CCN(C(=O)Cc1ccco1)CC2 ZINC000096208685 473344155 /nfs/dbraw/zinc/34/41/55/473344155.db2.gz DSLYXOICOTWLJV-QGZVFWFLSA-N 1 1 346.471 2.704 40 0 EFABMO COC[C@H]1CCC2(CCN(C(=O)c3ccc(F)cc3C)CC2)[N@H+]1C ZINC000096209328 473344648 /nfs/dbraw/zinc/34/46/48/473344648.db2.gz GCHWBLVXCWILCE-MRXNPFEDSA-N 1 1 334.435 2.850 40 0 EFABMO COC[C@H]1CCC2(CCN(C(=O)/C=C/c3cccs3)CC2)[N@H+]1C ZINC000096209511 473345649 /nfs/dbraw/zinc/34/56/49/473345649.db2.gz HHRWPTCXAVWTHU-LLYBFZRZSA-N 1 1 334.485 2.863 40 0 EFABMO Cc1ccc(OC[C@H]2CO[C@@H]3C[N@@H+](Cc4cccs4)C[C@H]23)cn1 ZINC000096215925 473346452 /nfs/dbraw/zinc/34/64/52/473346452.db2.gz CDCXYJYIWOEZIK-BMGDILEWSA-N 1 1 330.453 2.977 40 0 EFABMO c1csc(CN2CCC[C@@]3(CC[N@H+](CCN4CCCC4)C3)C2)n1 ZINC000096215841 473346714 /nfs/dbraw/zinc/34/67/14/473346714.db2.gz XTMMXPHGKUSDQE-SFHVURJKSA-N 1 1 334.533 2.527 40 0 EFABMO c1csc(CN2CCC[C@@]3(CCN(CC[NH+]4CCCC4)C3)C2)n1 ZINC000096215841 473346718 /nfs/dbraw/zinc/34/67/18/473346718.db2.gz XTMMXPHGKUSDQE-SFHVURJKSA-N 1 1 334.533 2.527 40 0 EFABMO COc1ccccc1CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC000096215802 473346747 /nfs/dbraw/zinc/34/67/47/473346747.db2.gz VANLJYILYVNTSA-TZIWHRDSSA-N 1 1 344.499 2.876 40 0 EFABMO Cc1ccccc1C(=O)N1CC[C@]2(C1)C[N@@H+](C)C[C@H]2COCC1CC1 ZINC000096209872 473346907 /nfs/dbraw/zinc/34/69/07/473346907.db2.gz NIGSKMKLTQNAKK-GHTZIAJQSA-N 1 1 342.483 2.816 40 0 EFABMO Fc1ccccc1OC[C@@H]1CO[C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]12 ZINC000096216059 473347251 /nfs/dbraw/zinc/34/72/51/473347251.db2.gz ZTAPBZLVABAPAD-GPMSIDNRSA-N 1 1 328.387 2.747 40 0 EFABMO COc1cc(N2CCC[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)ncn1 ZINC000096216504 473349169 /nfs/dbraw/zinc/34/91/69/473349169.db2.gz ITCAQMSCZCLZRM-SFHVURJKSA-N 1 1 328.416 2.571 40 0 EFABMO Cc1ccc(N2CCC[C@]3(CC[N@@H+](CC4CCOCC4)C3)C2)nn1 ZINC000096217114 473350686 /nfs/dbraw/zinc/35/06/86/473350686.db2.gz WGMRRHXNMOMXSP-LJQANCHMSA-N 1 1 330.476 2.504 40 0 EFABMO Cc1ccc(C[N@H+]2CC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)o1 ZINC000096219317 473352010 /nfs/dbraw/zinc/35/20/10/473352010.db2.gz DRDVBZPUDPTNFO-MOPGFXCFSA-N 1 1 328.412 2.933 40 0 EFABMO O=C(C[C@H]1CO[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]12)Nc1cccnc1 ZINC000096218973 473352406 /nfs/dbraw/zinc/35/24/06/473352406.db2.gz BODVDXAFIMPQCW-IAOVAPTHSA-N 1 1 343.452 2.619 40 0 EFABMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)C1CC1)CC2 ZINC000096221039 473353868 /nfs/dbraw/zinc/35/38/68/473353868.db2.gz LDEIXYRYWCSDGR-GOSISDBHSA-N 1 1 328.456 2.679 40 0 EFABMO CCc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)cc1 ZINC000096225550 473358164 /nfs/dbraw/zinc/35/81/64/473358164.db2.gz CJXSGCBCYFGHSZ-FQEVSTJZSA-N 1 1 343.471 2.837 40 0 EFABMO O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1ccco1)C2 ZINC000096224436 473355388 /nfs/dbraw/zinc/35/53/88/473355388.db2.gz RBJUKRQIBOUTGU-IBGZPJMESA-N 1 1 325.412 2.689 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cn1 ZINC000096224592 473355577 /nfs/dbraw/zinc/35/55/77/473355577.db2.gz HXARIHXWTGTVPS-KRWDZBQOSA-N 1 1 330.457 2.501 40 0 EFABMO Cn1cc(N2CC[C@]3(CCC[N@@H+](Cc4cccs4)C3)C2=O)cn1 ZINC000096224626 473355730 /nfs/dbraw/zinc/35/57/30/473355730.db2.gz XHKYNXVXRRAJFD-KRWDZBQOSA-N 1 1 330.457 2.501 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2nccn2C)C3)c1 ZINC000096222732 473355839 /nfs/dbraw/zinc/35/58/39/473355839.db2.gz BPTSRPAJHQKFID-UYAOXDASSA-N 1 1 340.471 2.964 40 0 EFABMO Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2nccn2C)C3)c1 ZINC000096222732 473355845 /nfs/dbraw/zinc/35/58/45/473355845.db2.gz BPTSRPAJHQKFID-UYAOXDASSA-N 1 1 340.471 2.964 40 0 EFABMO c1ccc(N2CCOC[C@]3(CCC[N@H+](Cc4ccncc4)C3)C2)nc1 ZINC000096229056 473359426 /nfs/dbraw/zinc/35/94/26/473359426.db2.gz DHOJHVAMWYXOBG-FQEVSTJZSA-N 1 1 338.455 2.596 40 0 EFABMO O=C(Cc1ccccc1)N1CCC[C@@]2(C1)COCC[N@@H+](CC1CC1)C2 ZINC000096228809 473359510 /nfs/dbraw/zinc/35/95/10/473359510.db2.gz ZIVOKYVJXHCLKQ-OAQYLSRUSA-N 1 1 342.483 2.580 40 0 EFABMO Cn1cc(C[N@H+]2CCC[C@]3(C2)COCCN(c2ccccc2)C3)cn1 ZINC000096228952 473359649 /nfs/dbraw/zinc/35/96/49/473359649.db2.gz PBWGHAASIGABRU-HXUWFJFHSA-N 1 1 340.471 2.539 40 0 EFABMO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(c2cnccn2)C3)c1 ZINC000096229151 473359811 /nfs/dbraw/zinc/35/98/11/473359811.db2.gz RVUQQGHMZBXFND-SFHVURJKSA-N 1 1 344.484 2.657 40 0 EFABMO Cc1ccc(N2C[C@@]3(CC[N@@H+](Cc4nccn4C)C3)CC2=O)cc1C ZINC000096239041 473360950 /nfs/dbraw/zinc/36/09/50/473360950.db2.gz BAHKTUDWPOMKRM-FQEVSTJZSA-N 1 1 338.455 2.666 40 0 EFABMO Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4nccn4C)C3)CC2=O)cc1C ZINC000096239041 473360956 /nfs/dbraw/zinc/36/09/56/473360956.db2.gz BAHKTUDWPOMKRM-FQEVSTJZSA-N 1 1 338.455 2.666 40 0 EFABMO O=C1C[C@]2(CC[N@@H+](Cc3ccncc3)C2)CN1c1ccc(F)c(F)c1 ZINC000096239055 473361254 /nfs/dbraw/zinc/36/12/54/473361254.db2.gz JSVIEJGIYMYALO-IBGZPJMESA-N 1 1 343.377 2.989 40 0 EFABMO FC1(F)CC[N@@H+](Cc2cccnc2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239719 473361791 /nfs/dbraw/zinc/36/17/91/473361791.db2.gz ZMDRTXUDNGAPPH-KRWDZBQOSA-N 1 1 345.397 2.609 40 0 EFABMO Cc1cccc(C[N@@H+]2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@@H]32)n1 ZINC000096250163 473364442 /nfs/dbraw/zinc/36/44/42/473364442.db2.gz CTHCQHOETHRXHR-LSTHTHJFSA-N 1 1 338.455 2.877 40 0 EFABMO Cc1cccc(C[N@H+]2CCO[C@@H]3[C@@H](CNc4cccnc4)CC[C@@H]32)n1 ZINC000096250163 473364448 /nfs/dbraw/zinc/36/44/48/473364448.db2.gz CTHCQHOETHRXHR-LSTHTHJFSA-N 1 1 338.455 2.877 40 0 EFABMO Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000096246154 473365324 /nfs/dbraw/zinc/36/53/24/473365324.db2.gz GPSBAVNXHAVTFP-IPMKNSEASA-N 1 1 328.456 2.568 40 0 EFABMO Cc1nc(C)c(C[N@@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)s1 ZINC000096296469 473372943 /nfs/dbraw/zinc/37/29/43/473372943.db2.gz CBUFTDVRKBUWLY-OAHLLOKOSA-N 1 1 333.457 2.743 40 0 biogenic,in-vitro EFABMO Cc1nc(C)c(C[N@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)s1 ZINC000096296469 473372946 /nfs/dbraw/zinc/37/29/46/473372946.db2.gz CBUFTDVRKBUWLY-OAHLLOKOSA-N 1 1 333.457 2.743 40 0 biogenic,in-vitro EFABMO C[N@H+](Cc1ccccn1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000096407769 473385022 /nfs/dbraw/zinc/38/50/22/473385022.db2.gz BYIXRQLBLJJBJR-CQSZACIVSA-N 1 1 340.345 2.972 40 0 EFABMO Cc1cc(C[N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)on1 ZINC000096407767 473385244 /nfs/dbraw/zinc/38/52/44/473385244.db2.gz FULTUBFTXDLJNE-GFCCVEGCSA-N 1 1 344.333 2.874 40 0 EFABMO Cc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)on1 ZINC000096407767 473385251 /nfs/dbraw/zinc/38/52/51/473385251.db2.gz FULTUBFTXDLJNE-GFCCVEGCSA-N 1 1 344.333 2.874 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)/C=C/c1cccnc1 ZINC000096407623 473385439 /nfs/dbraw/zinc/38/54/39/473385439.db2.gz QHPXNKXRGHIMAE-KRCKVYFQSA-N 1 1 336.439 2.517 40 0 EFABMO Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCCN(c2cccc(F)c2)C1 ZINC000096407589 473385761 /nfs/dbraw/zinc/38/57/61/473385761.db2.gz NGVAIKXIKMOTNS-KRWDZBQOSA-N 1 1 344.434 2.896 40 0 EFABMO CC[C@@H]1CN(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)C[C@@H](C)O1 ZINC000096408940 473387159 /nfs/dbraw/zinc/38/71/59/473387159.db2.gz XSIZTRUPACPMRC-NVXWUHKLSA-N 1 1 346.475 2.568 40 0 EFABMO C[N@H+]1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1 ZINC000000004265 471317907 /nfs/dbraw/zinc/31/79/07/471317907.db2.gz LPLNSPKKMWHFAU-ZDUSSCGKSA-N 1 1 336.395 2.654 40 0 investigational EFABMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1cccc2ccccc21 ZINC000000422372 471358273 /nfs/dbraw/zinc/35/82/73/471358273.db2.gz MVALYVXIBGMQSI-JTQLQIEISA-N 1 1 339.424 2.914 40 0 EFABMO COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000000901258 471377683 /nfs/dbraw/zinc/37/76/83/471377683.db2.gz BHLYRWXGMIUIHG-OAHLLOKOSA-N 1 1 329.396 2.887 40 0 in-vitro EFABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cncc(Br)c1)C2 ZINC000000848769 471377842 /nfs/dbraw/zinc/37/78/42/471377842.db2.gz XZLKQWWMJLSYRM-FUNVUKJBSA-N 1 1 325.206 2.626 40 0 EFABMO COc1cc2cc[nH+]c3c2c(c1OC)C[C@@H]1C[C@@H](O)[C@@H](OC)C[C@@H]31 ZINC000005883215 471523909 /nfs/dbraw/zinc/52/39/09/471523909.db2.gz AEGFKXRLKDOCNT-GBOPCIDUSA-N 1 1 329.396 2.678 40 0 EFABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)cc(Cl)c1O ZINC000006953484 471580410 /nfs/dbraw/zinc/58/04/10/471580410.db2.gz REWIEBOEMOHTFM-UHFFFAOYSA-N 1 1 328.865 2.757 40 0 EFABMO COc1cccc(Nc2nc(N)nc(C[N@H+]3[C@H](C)CCC[C@@H]3C)n2)c1 ZINC000007496402 471618432 /nfs/dbraw/zinc/61/84/32/471618432.db2.gz FXPDLCZPBGXTJQ-BETUJISGSA-N 1 1 342.447 2.969 40 0 EFABMO COc1cccc(Nc2nc(N)nc(C[N@@H+]3[C@H](C)CCC[C@@H]3C)n2)c1 ZINC000007496402 471618439 /nfs/dbraw/zinc/61/84/39/471618439.db2.gz FXPDLCZPBGXTJQ-BETUJISGSA-N 1 1 342.447 2.969 40 0 EFABMO CCOc1ccc(C[N@H+](C)CC(=O)NCc2ccc(OC)cc2)cc1 ZINC000007687092 471630591 /nfs/dbraw/zinc/63/05/91/471630591.db2.gz XUOYKFWWWCZCTO-UHFFFAOYSA-N 1 1 342.439 2.842 40 0 EFABMO CCOc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(OC)cc2)cc1 ZINC000007687092 471630596 /nfs/dbraw/zinc/63/05/96/471630596.db2.gz XUOYKFWWWCZCTO-UHFFFAOYSA-N 1 1 342.439 2.842 40 0 EFABMO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000007854627 471642610 /nfs/dbraw/zinc/64/26/10/471642610.db2.gz VNTDPAGQZAOSDU-HNNXBMFYSA-N 1 1 343.427 2.776 40 0 EFABMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c1C ZINC000007854627 471642617 /nfs/dbraw/zinc/64/26/17/471642617.db2.gz VNTDPAGQZAOSDU-HNNXBMFYSA-N 1 1 343.427 2.776 40 0 EFABMO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000007854622 471643356 /nfs/dbraw/zinc/64/33/56/471643356.db2.gz VNTDPAGQZAOSDU-OAHLLOKOSA-N 1 1 343.427 2.776 40 0 EFABMO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c1C ZINC000007854622 471643360 /nfs/dbraw/zinc/64/33/60/471643360.db2.gz VNTDPAGQZAOSDU-OAHLLOKOSA-N 1 1 343.427 2.776 40 0 EFABMO C[N@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCCc2ccccc21 ZINC000008126241 471664810 /nfs/dbraw/zinc/66/48/10/471664810.db2.gz OSJUXWSDWDYSHM-GOSISDBHSA-N 1 1 349.434 2.981 40 0 EFABMO C[N@@H+](CC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCCc2ccccc21 ZINC000008126241 471664814 /nfs/dbraw/zinc/66/48/14/471664814.db2.gz OSJUXWSDWDYSHM-GOSISDBHSA-N 1 1 349.434 2.981 40 0 EFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000012240006 471769385 /nfs/dbraw/zinc/76/93/85/471769385.db2.gz ILTQQPNQYFSKCY-ZDUSSCGKSA-N 1 1 344.484 2.626 40 0 EFABMO O[C@@H]1CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@@H]2CCCC[C@@H]12 ZINC000013992524 471846393 /nfs/dbraw/zinc/84/63/93/471846393.db2.gz UYCRVAISBCXPHX-MRVWCRGKSA-N 1 1 348.834 2.910 40 0 EFABMO CC(C)[C@H](CNC(=O)Nc1cccc(Cl)c1)[NH+]1CCOCC1 ZINC000013965099 471847075 /nfs/dbraw/zinc/84/70/75/471847075.db2.gz YKTIEGKRQLBPDO-HNNXBMFYSA-N 1 1 325.840 2.818 40 0 EFABMO C[N@@H+](Cc1ccccc1)Cc1cc(=O)n2nc(C3CC3)sc2n1 ZINC000015731885 471915168 /nfs/dbraw/zinc/91/51/68/471915168.db2.gz ZJKLWJXUTJEECO-UHFFFAOYSA-N 1 1 326.425 2.660 40 0 EFABMO Cc1ccc([C@H](O)C[N@H+]2CCCN(c3ccccn3)CC2)c(C)c1 ZINC000019132443 471977592 /nfs/dbraw/zinc/97/75/92/471977592.db2.gz TUGMPZYHTMSJDK-LJQANCHMSA-N 1 1 325.456 2.944 40 0 EFABMO O=c1cc(-c2cccnc2)nc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)[nH]1 ZINC000019401704 471979423 /nfs/dbraw/zinc/97/94/23/471979423.db2.gz GTTRBJRRXJXZGM-INIZCTEOSA-N 1 1 347.422 2.607 40 0 EFABMO CC[N@@H+](C)[C@H]1CN(C(=O)CCn2nc(C)nc2C)C2(C1)CCCCC2 ZINC000019703943 471982976 /nfs/dbraw/zinc/98/29/76/471982976.db2.gz XFNSIFGUEJAZPL-QGZVFWFLSA-N 1 1 347.507 2.541 40 0 EFABMO CCN(CC(=O)Nc1cc(C)on1)[C@@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000019703910 471983324 /nfs/dbraw/zinc/98/33/24/471983324.db2.gz XDVXECDJDBRQGW-HNNXBMFYSA-N 1 1 334.464 2.650 40 0 EFABMO O[C@H](C[N@H+]1CCCN(c2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000019656846 471983561 /nfs/dbraw/zinc/98/35/61/471983561.db2.gz ZELPTZHGNDWTRR-QGZVFWFLSA-N 1 1 331.847 2.981 40 0 EFABMO COCCOc1cccc(C[N@H+]2CC[C@@]3(C)NC(=O)CCCC[C@@H]23)c1 ZINC000019713385 471984863 /nfs/dbraw/zinc/98/48/63/471984863.db2.gz VMCIQTFECPTONR-UYAOXDASSA-N 1 1 346.471 2.735 40 0 EFABMO Cc1ccccc1CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000024762061 472067015 /nfs/dbraw/zinc/06/70/15/472067015.db2.gz YUKNJDZQJKZHEY-IRXDYDNUSA-N 1 1 347.503 2.725 40 0 EFABMO O=C(C[N@H+](Cc1ccccc1)C1CC1)NC(=O)NCc1cccs1 ZINC000025221850 472086212 /nfs/dbraw/zinc/08/62/12/472086212.db2.gz NLEULYRMDNIGKJ-UHFFFAOYSA-N 1 1 343.452 2.739 40 0 EFABMO O=C(C[N@@H+](Cc1ccccc1)C1CC1)NC(=O)NCc1cccs1 ZINC000025221850 472086215 /nfs/dbraw/zinc/08/62/15/472086215.db2.gz NLEULYRMDNIGKJ-UHFFFAOYSA-N 1 1 343.452 2.739 40 0 EFABMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3nccs3)CC2)cc1 ZINC000042652292 472155987 /nfs/dbraw/zinc/15/59/87/472155987.db2.gz XPLGIGHMUMGANI-UHFFFAOYSA-N 1 1 346.456 2.892 40 0 EFABMO COc1ccc([C@@](O)(CC[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000027346266 472172163 /nfs/dbraw/zinc/17/21/63/472172163.db2.gz DSCQDLLNKJHKSC-OAQYLSRUSA-N 1 1 341.451 2.962 40 0 EFABMO Cc1ccc(F)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000042985786 472188431 /nfs/dbraw/zinc/18/84/31/472188431.db2.gz ZCMOMZRRZIXAJI-ZDUSSCGKSA-N 1 1 342.461 2.777 40 0 EFABMO CC[N@@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000027754544 472193809 /nfs/dbraw/zinc/19/38/09/472193809.db2.gz LOMPITTUNWDTCD-QGZVFWFLSA-N 1 1 335.444 2.947 40 0 EFABMO Cc1ccc(C)c([C@@H](O)CN2CCC[N@H+](C3CCOCC3)CC2)c1 ZINC000075752422 472194648 /nfs/dbraw/zinc/19/46/48/472194648.db2.gz QDKMBIJEGYONPZ-FQEVSTJZSA-N 1 1 332.488 2.524 40 0 EFABMO O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000028226205 472218121 /nfs/dbraw/zinc/21/81/21/472218121.db2.gz YLWFLCUILPKKSW-HNNXBMFYSA-N 1 1 344.386 2.918 40 0 EFABMO Cc1nc([C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C(C)C)n[nH]1 ZINC000085357183 472237717 /nfs/dbraw/zinc/23/77/17/472237717.db2.gz OYSFZLGLJNGLCF-HNNXBMFYSA-N 1 1 330.436 2.694 40 0 EFABMO COc1cccc(C[N@H+]2CCOC[C@H](Oc3cccc(C)n3)C2)c1 ZINC000085435945 472247594 /nfs/dbraw/zinc/24/75/94/472247594.db2.gz ZFBHVAWAWAZQFX-GOSISDBHSA-N 1 1 328.412 2.678 40 0 biogenic,in-vitro EFABMO Cc1[nH+]ccn1CC1CCN(C(=O)NCCc2ccccc2)CC1 ZINC000085436370 472247728 /nfs/dbraw/zinc/24/77/28/472247728.db2.gz PXYJTPFKRHPLME-UHFFFAOYSA-N 1 1 326.444 2.856 40 0 EFABMO C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2CSc3ccccc32)C[C@H](C)O1 ZINC000085456843 472249020 /nfs/dbraw/zinc/24/90/20/472249020.db2.gz CQYLRDKBAXXDPX-HLLBOEOZSA-N 1 1 348.512 2.882 40 0 EFABMO O=C(COc1ccc(F)cc1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000029838151 472299241 /nfs/dbraw/zinc/29/92/41/472299241.db2.gz MCEMIGYVUWIHLO-UHFFFAOYSA-N 1 1 342.414 2.769 40 0 EFABMO C[N@@H+]1CCN(C(=O)c2cc(Br)c[nH]2)[C@H](c2ccccc2)C1 ZINC000030030253 472312167 /nfs/dbraw/zinc/31/21/67/472312167.db2.gz UEQJFQOVISLIMK-HNNXBMFYSA-N 1 1 348.244 2.906 40 0 EFABMO C[N@H+]1CCN(C(=O)c2cc(Br)c[nH]2)[C@H](c2ccccc2)C1 ZINC000030030253 472312172 /nfs/dbraw/zinc/31/21/72/472312172.db2.gz UEQJFQOVISLIMK-HNNXBMFYSA-N 1 1 348.244 2.906 40 0 EFABMO Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCCOc2ccc(F)cc2)on1 ZINC000030268760 472321584 /nfs/dbraw/zinc/32/15/84/472321584.db2.gz QMXRTIVETAUIMI-ZDUSSCGKSA-N 1 1 335.379 2.850 40 0 EFABMO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCCOc2ccc(F)cc2)on1 ZINC000030268760 472321589 /nfs/dbraw/zinc/32/15/89/472321589.db2.gz QMXRTIVETAUIMI-ZDUSSCGKSA-N 1 1 335.379 2.850 40 0 EFABMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000030499624 472335615 /nfs/dbraw/zinc/33/56/15/472335615.db2.gz YIVFDGFGSXWCDB-IBGZPJMESA-N 1 1 344.480 2.757 40 0 EFABMO CC(C)n1nccc1NC(=O)C[N@H+](C)CCOc1ccc(F)cc1 ZINC000044892747 472348762 /nfs/dbraw/zinc/34/87/62/472348762.db2.gz IFWIPCYWJIPYHJ-UHFFFAOYSA-N 1 1 334.395 2.552 40 0 EFABMO CC(C)n1nccc1NC(=O)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000044892747 472348765 /nfs/dbraw/zinc/34/87/65/472348765.db2.gz IFWIPCYWJIPYHJ-UHFFFAOYSA-N 1 1 334.395 2.552 40 0 EFABMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1ccc(F)cc1 ZINC000030867450 472351086 /nfs/dbraw/zinc/35/10/86/472351086.db2.gz KZDRWALTODUKSI-UHFFFAOYSA-N 1 1 345.399 2.798 40 0 EFABMO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c2ccccc2n1 ZINC000032267878 472418957 /nfs/dbraw/zinc/41/89/57/472418957.db2.gz BZXNDSRPLPWUHM-MRXNPFEDSA-N 1 1 341.455 2.630 40 0 EFABMO C[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)[N@@H+]1CCc2sccc2C1 ZINC000032428806 472433744 /nfs/dbraw/zinc/43/37/44/472433744.db2.gz YJEFIUKQLIZMNX-CXAGYDPISA-N 1 1 342.464 2.615 40 0 EFABMO C[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)[N@H+]1CCc2sccc2C1 ZINC000032428806 472433757 /nfs/dbraw/zinc/43/37/57/472433757.db2.gz YJEFIUKQLIZMNX-CXAGYDPISA-N 1 1 342.464 2.615 40 0 EFABMO Cc1ncsc1CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000076971543 472435953 /nfs/dbraw/zinc/43/59/53/472435953.db2.gz HVZAPPGCEZYXIO-AWEZNQCLSA-N 1 1 344.484 2.867 40 0 EFABMO Cc1ncsc1CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076971543 472435958 /nfs/dbraw/zinc/43/59/58/472435958.db2.gz HVZAPPGCEZYXIO-AWEZNQCLSA-N 1 1 344.484 2.867 40 0 EFABMO Cc1ccc(F)cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000032441188 472436464 /nfs/dbraw/zinc/43/64/64/472436464.db2.gz DIQJGOVLBDMMOU-KGLIPLIRSA-N 1 1 328.453 2.675 40 0 EFABMO C[C@H](C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000097103879 472449218 /nfs/dbraw/zinc/44/92/18/472449218.db2.gz QSERULWIWIYMCK-QGZVFWFLSA-N 1 1 347.478 2.559 40 0 EFABMO Cc1ccccc1C[N@H+]1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 ZINC000077266606 472490042 /nfs/dbraw/zinc/49/00/42/472490042.db2.gz PRTPVNBHPVHEIF-LJQANCHMSA-N 1 1 336.439 2.512 40 0 biogenic,in-vitro EFABMO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@H+](Cc3ccccc3)CCN12 ZINC000077266639 472490473 /nfs/dbraw/zinc/49/04/73/472490473.db2.gz UTCBYOFAMDRXCU-LJQANCHMSA-N 1 1 339.414 2.948 40 0 biogenic,in-vitro EFABMO O=C1N(Cc2ccc(F)cc2)C[C@H]2C[N@@H+](Cc3ccccc3)CCN12 ZINC000077266639 472490478 /nfs/dbraw/zinc/49/04/78/472490478.db2.gz UTCBYOFAMDRXCU-LJQANCHMSA-N 1 1 339.414 2.948 40 0 biogenic,in-vitro EFABMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000097377016 472494802 /nfs/dbraw/zinc/49/48/02/472494802.db2.gz ASTWQBIAIVDVTB-KRWDZBQOSA-N 1 1 339.487 2.870 40 0 EFABMO Cc1ccc2ncc(CN3CC[NH+]([C@H](C)c4ccccn4)CC3)n2c1 ZINC000155013198 472497200 /nfs/dbraw/zinc/49/72/00/472497200.db2.gz TWOXMYSTHLKTTE-QGZVFWFLSA-N 1 1 335.455 2.917 40 0 EFABMO C/C=C1/C[N@@H+]2CC[C@]34c5cccc(O)c5N=C3C(C(=O)OC)[C@H]1C[C@H]24 ZINC000058169438 472511861 /nfs/dbraw/zinc/51/18/61/472511861.db2.gz FAJVFJABOWWACZ-GGGKWMOSSA-N 1 1 338.407 2.537 40 0 biogenic EFABMO Cc1c(C(=O)N2CCO[C@H](c3ccccc3)C2)cnn1-c1cc[nH+]cc1 ZINC000090142048 472601305 /nfs/dbraw/zinc/60/13/05/472601305.db2.gz GOXHRVUCYVQYHA-IBGZPJMESA-N 1 1 348.406 2.789 40 0 EFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1Cl ZINC000072227691 472634228 /nfs/dbraw/zinc/63/42/28/472634228.db2.gz DJYCJPQFAIWNAT-HOTGVXAUSA-N 1 1 330.771 2.526 40 0 EFABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000072227844 472634281 /nfs/dbraw/zinc/63/42/81/472634281.db2.gz JHWJVTCSVRULKD-QZTJIDSGSA-N 1 1 326.396 2.736 40 0 EFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000072227701 472634374 /nfs/dbraw/zinc/63/43/74/472634374.db2.gz PIMJTRDBCKDLPU-CVEARBPZSA-N 1 1 330.771 2.526 40 0 EFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 ZINC000072227694 472635031 /nfs/dbraw/zinc/63/50/31/472635031.db2.gz AXKXJSLYZXAIMO-JKSUJKDBSA-N 1 1 330.771 2.526 40 0 EFABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Cl)cc2)cc1OC ZINC000072227957 472635605 /nfs/dbraw/zinc/63/56/05/472635605.db2.gz IGZUWZPIIAMLEA-CVEARBPZSA-N 1 1 332.787 2.772 40 0 EFABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000072228129 472636384 /nfs/dbraw/zinc/63/63/84/472636384.db2.gz NAWXXPUESKEHTB-CABCVRRESA-N 1 1 331.213 2.860 40 0 EFABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000072227893 472636416 /nfs/dbraw/zinc/63/64/16/472636416.db2.gz RBBYGEUSYVMVKH-CVEARBPZSA-N 1 1 332.787 2.772 40 0 EFABMO O=S(=O)(c1ccccc1)N1C[C@@H]2CCCC[N@@H+](CC3CC3)[C@@H]2C1 ZINC000072330675 472660995 /nfs/dbraw/zinc/66/09/95/472660995.db2.gz NCPUYMUVACXBRQ-FUHWJXTLSA-N 1 1 334.485 2.572 40 0 EFABMO C[C@@H]1CN(Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000072394708 472663273 /nfs/dbraw/zinc/66/32/73/472663273.db2.gz RLUNQUGUQYERAZ-QLFBSQMISA-N 1 1 328.460 2.639 40 0 EFABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358867 472663731 /nfs/dbraw/zinc/66/37/31/472663731.db2.gz WUSMHNQPJGMGGG-HNNXBMFYSA-N 1 1 342.418 2.550 40 0 EFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3ccccc3oc2=O)C1 ZINC000047416395 472706910 /nfs/dbraw/zinc/70/69/10/472706910.db2.gz MKMCLOQIGFZIBT-GASCZTMLSA-N 1 1 342.439 2.891 40 0 EFABMO CCc1[nH+]ccn1CC1CCN(C(=O)CCc2c(C)noc2C)CC1 ZINC000062129749 472730131 /nfs/dbraw/zinc/73/01/31/472730131.db2.gz QMQAWDDBRLSSGV-UHFFFAOYSA-N 1 1 344.459 2.922 40 0 EFABMO C[C@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccccc2)CO1 ZINC000072896859 472735821 /nfs/dbraw/zinc/73/58/21/472735821.db2.gz MGDUFVRVUWORQY-KXBFYZLASA-N 1 1 349.434 2.928 40 0 EFABMO C[C@H]1C[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccccc2)CO1 ZINC000072896859 472735827 /nfs/dbraw/zinc/73/58/27/472735827.db2.gz MGDUFVRVUWORQY-KXBFYZLASA-N 1 1 349.434 2.928 40 0 EFABMO Cc1nc(CC(=O)O[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cs1 ZINC000078719163 472759571 /nfs/dbraw/zinc/75/95/71/472759571.db2.gz HSMNPDRXJVJYAG-OAHLLOKOSA-N 1 1 346.456 2.613 40 0 EFABMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)s1 ZINC000091630986 472787681 /nfs/dbraw/zinc/78/76/81/472787681.db2.gz BVBZBTLDOYSICK-LBPRGKRZSA-N 1 1 346.456 2.841 40 0 EFABMO O[C@H](C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)c1ccc(F)cc1 ZINC000091630548 472787992 /nfs/dbraw/zinc/78/79/92/472787992.db2.gz YPNQCGZQYMBYRB-WMLDXEAASA-N 1 1 330.407 2.665 40 0 EFABMO Cc1cccc(N2CC[C@H]3CO[C@H](C[N@H+](C)Cc4ccco4)[C@H]3C2)n1 ZINC000107202747 472932406 /nfs/dbraw/zinc/93/24/06/472932406.db2.gz GPDUZBQUWIQLEX-YTQUADARSA-N 1 1 341.455 2.956 40 0 EFABMO O=C(NCc1cccs1)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)O1 ZINC000107207901 472933462 /nfs/dbraw/zinc/93/34/62/472933462.db2.gz MPOGIQLFJUYPJC-BRWVUGGUSA-N 1 1 346.452 2.779 40 0 EFABMO OCc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)o1 ZINC000049169324 472934480 /nfs/dbraw/zinc/93/44/80/472934480.db2.gz CTNRYDWLBCERNI-AWEZNQCLSA-N 1 1 325.368 2.811 40 0 biogenic,in-vitro EFABMO O=C([C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1)N1CCCC1 ZINC000107274827 472937356 /nfs/dbraw/zinc/93/73/56/472937356.db2.gz AFQPIPVIRUXUAT-AZUAARDMSA-N 1 1 326.440 2.519 40 0 EFABMO O=S(=O)(/C=C/c1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065551655 472974502 /nfs/dbraw/zinc/97/45/02/472974502.db2.gz USIVHXFVVUGNDZ-XUDAUXSOSA-N 1 1 342.464 2.851 40 0 EFABMO COc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 ZINC000107731394 472980645 /nfs/dbraw/zinc/98/06/45/472980645.db2.gz ZSUPZBRVNNTAMD-MJGOQNOKSA-N 1 1 327.428 2.888 40 0 EFABMO O=C(c1cscn1)N1C[C@H]2C[N@@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107798346 472983318 /nfs/dbraw/zinc/98/33/18/472983318.db2.gz KCMRLOYMRIECIP-NVXWUHKLSA-N 1 1 327.453 2.532 40 0 EFABMO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccccn1)C2)N1CC(F)(F)C1 ZINC000108532021 473035603 /nfs/dbraw/zinc/03/56/03/473035603.db2.gz IIYVTZWUOQAMRH-NVXWUHKLSA-N 1 1 335.398 2.551 40 0 EFABMO Cc1cccnc1C[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N2CC(F)(F)C2)C1 ZINC000108532079 473035752 /nfs/dbraw/zinc/03/57/52/473035752.db2.gz LOQWFVZBCMTYCW-MAUKXSAKSA-N 1 1 349.425 2.860 40 0 EFABMO O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1cccnc1)C2)N1CC(F)(F)C1 ZINC000108528644 473036369 /nfs/dbraw/zinc/03/63/69/473036369.db2.gz LIOKTPLQXGBAPI-NVXWUHKLSA-N 1 1 335.398 2.551 40 0 EFABMO COc1ccc(NC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1C ZINC000110618782 473166154 /nfs/dbraw/zinc/16/61/54/473166154.db2.gz SOOXHWNJAZNHBM-BHYGNILZSA-N 1 1 329.444 2.952 40 0 EFABMO C[C@H](O)[C@@H]1CCC[N@@H+](CCOc2ccccc2Br)C1 ZINC000093988910 473166605 /nfs/dbraw/zinc/16/66/05/473166605.db2.gz HEAMQJPTMYQEJN-QWHCGFSZSA-N 1 1 328.250 2.921 40 0 EFABMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCOC1 ZINC000110638938 473167322 /nfs/dbraw/zinc/16/73/22/473167322.db2.gz ZWFPFPABFVXBPP-OALUTQOASA-N 1 1 345.487 2.719 40 0 EFABMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCOC1 ZINC000110638932 473167937 /nfs/dbraw/zinc/16/79/37/473167937.db2.gz ZWFPFPABFVXBPP-MOPGFXCFSA-N 1 1 345.487 2.719 40 0 EFABMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Oc2ccccc2)o1 ZINC000110661873 473169549 /nfs/dbraw/zinc/16/95/49/473169549.db2.gz MVKUORFKUHHYEP-GOEBONIOSA-N 1 1 342.395 2.665 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccnc(F)c1 ZINC000110665325 473170187 /nfs/dbraw/zinc/17/01/87/473170187.db2.gz YCUIMVLIRQESNB-WMLDXEAASA-N 1 1 327.403 2.861 40 0 EFABMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)NCc3ccccn3)C2)cc1 ZINC000096414889 473394120 /nfs/dbraw/zinc/39/41/20/473394120.db2.gz GBWPDXUUCNYZKI-NVXWUHKLSA-N 1 1 339.439 2.584 40 0 EFABMO C[N@@H+](CC(=O)NCc1cccnc1)[C@H](c1ccc(F)cc1)C1CC1 ZINC000096417449 473397347 /nfs/dbraw/zinc/39/73/47/473397347.db2.gz ZOPSQZLLISJQNH-IBGZPJMESA-N 1 1 327.403 2.920 40 0 EFABMO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419725 473398402 /nfs/dbraw/zinc/39/84/02/473398402.db2.gz FJFLKEUPDJBBDT-ZIAGYGMSSA-N 1 1 337.489 2.776 40 0 EFABMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)c2nccs2)C12CCCC2 ZINC000096419725 473398405 /nfs/dbraw/zinc/39/84/05/473398405.db2.gz FJFLKEUPDJBBDT-ZIAGYGMSSA-N 1 1 337.489 2.776 40 0 EFABMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2c(C)nn(C)c2C)C12CCCC2 ZINC000096419716 473398671 /nfs/dbraw/zinc/39/86/71/473398671.db2.gz PFWALTLLWHESNK-HOTGVXAUSA-N 1 1 348.491 2.645 40 0 EFABMO CC(C)=CCSc1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000096420815 473399275 /nfs/dbraw/zinc/39/92/75/473399275.db2.gz FQNFOGPPEIYFPL-INIZCTEOSA-N 1 1 347.528 2.721 40 0 EFABMO Cc1cccc(NC2CC[NH+](CC(=O)NCc3cccnc3)CC2)c1 ZINC000096421193 473400179 /nfs/dbraw/zinc/40/01/79/473400179.db2.gz KPLIZOPSPICADQ-UHFFFAOYSA-N 1 1 338.455 2.583 40 0 EFABMO O=C(NCc1cc2ccccc2[nH]1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000096422074 473400230 /nfs/dbraw/zinc/40/02/30/473400230.db2.gz XXWCEVFUUALOIO-KVSKMBFKSA-N 1 1 338.455 2.794 40 0 EFABMO CC(=O)Nc1cccc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424272 473402018 /nfs/dbraw/zinc/40/20/18/473402018.db2.gz BEDSUYHEUZRFPA-INIZCTEOSA-N 1 1 338.455 2.919 40 0 EFABMO CC(=O)Nc1cccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424272 473402029 /nfs/dbraw/zinc/40/20/29/473402029.db2.gz BEDSUYHEUZRFPA-INIZCTEOSA-N 1 1 338.455 2.919 40 0 EFABMO COc1cccc([C@@H](O)C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424336 473402448 /nfs/dbraw/zinc/40/24/48/473402448.db2.gz DLKZVYJPKOMDIT-JXFKEZNVSA-N 1 1 341.455 2.502 40 0 EFABMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(OCc3ccccn3)cc2)C1 ZINC000096426457 473404607 /nfs/dbraw/zinc/40/46/07/473404607.db2.gz QLUZGCJLVFMORQ-INIZCTEOSA-N 1 1 339.439 2.732 40 0 EFABMO CC(C)CC(=O)Nc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1F ZINC000096426420 473404824 /nfs/dbraw/zinc/40/48/24/473404824.db2.gz CXKMXAPPIWEWBA-CQSZACIVSA-N 1 1 349.450 2.834 40 0 EFABMO CC(C)CC(=O)Nc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000096426435 473405031 /nfs/dbraw/zinc/40/50/31/473405031.db2.gz ZJQNWCKUFJVASA-CQSZACIVSA-N 1 1 335.423 2.634 40 0 EFABMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC=CCC3)cc2)CC1 ZINC000096432181 473410539 /nfs/dbraw/zinc/41/05/39/473410539.db2.gz GVILURGVPDIHEY-KRWDZBQOSA-N 1 1 343.471 2.608 40 0 EFABMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ncncc1Cl ZINC000177656739 473411695 /nfs/dbraw/zinc/41/16/95/473411695.db2.gz ILMMFDIHKIDILD-OAHLLOKOSA-N 1 1 344.846 2.724 40 0 EFABMO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)ccc1OC(C)C ZINC000096435273 473413968 /nfs/dbraw/zinc/41/39/68/473413968.db2.gz YPZSEELUMHPBQR-MRXNPFEDSA-N 1 1 348.491 2.540 40 0 EFABMO C[C@@H](NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435914 473414874 /nfs/dbraw/zinc/41/48/74/473414874.db2.gz ZRQISMOAUXSXKM-APWZRJJASA-N 1 1 339.439 2.550 40 0 EFABMO C[C@@H](NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccnc1 ZINC000096435914 473414878 /nfs/dbraw/zinc/41/48/78/473414878.db2.gz ZRQISMOAUXSXKM-APWZRJJASA-N 1 1 339.439 2.550 40 0 EFABMO Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)nc1 ZINC000096437425 473416336 /nfs/dbraw/zinc/41/63/36/473416336.db2.gz RZNQCIMIGGOBHV-SFHVURJKSA-N 1 1 344.503 2.738 40 0 EFABMO Cc1[nH+]ccn1CCCNC(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000096439218 473418024 /nfs/dbraw/zinc/41/80/24/473418024.db2.gz REVWFZSYORTXPG-SFHVURJKSA-N 1 1 326.444 2.856 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000096440999 473418361 /nfs/dbraw/zinc/41/83/61/473418361.db2.gz JKPIHUJFGLHJNI-INIZCTEOSA-N 1 1 335.467 2.647 40 0 EFABMO CCN1CC[NH+](CCC(=O)N[C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000096440798 473418698 /nfs/dbraw/zinc/41/86/98/473418698.db2.gz FOSYGQLBEKXMCV-RBUKOAKNSA-N 1 1 347.478 2.606 40 0 EFABMO Cc1ccc(CC[N@H+](Cc2cc(=O)c(O)co2)C[C@H]2CCCO2)cc1 ZINC000096441665 473420305 /nfs/dbraw/zinc/42/03/05/473420305.db2.gz NVMSKSPHUGTPJS-QGZVFWFLSA-N 1 1 343.423 2.878 40 0 EFABMO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccncc2Cl)C1 ZINC000096445740 473423566 /nfs/dbraw/zinc/42/35/66/473423566.db2.gz ZATBOMPPHZHRCW-LLVKDONJSA-N 1 1 335.757 2.626 40 0 EFABMO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ncncc1Cl ZINC000096454925 473431541 /nfs/dbraw/zinc/43/15/41/473431541.db2.gz FOKBLKPAMGFSAB-HNNXBMFYSA-N 1 1 344.846 2.915 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(-c2cnn(C)c2)nn1 ZINC000096456211 473432205 /nfs/dbraw/zinc/43/22/05/473432205.db2.gz VDZANIQIQMTXMA-MRXNPFEDSA-N 1 1 348.454 2.588 40 0 EFABMO O=C([C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1)N1CCCCCC1 ZINC000096468508 473436171 /nfs/dbraw/zinc/43/61/71/473436171.db2.gz OQFVNRCYCYWROJ-QGZVFWFLSA-N 1 1 340.471 2.949 40 0 EFABMO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000096483156 473442453 /nfs/dbraw/zinc/44/24/53/473442453.db2.gz IBHRBYFIXOVELR-SNVBAGLBSA-N 1 1 342.798 2.691 40 0 EFABMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000096483156 473442459 /nfs/dbraw/zinc/44/24/59/473442459.db2.gz IBHRBYFIXOVELR-SNVBAGLBSA-N 1 1 342.798 2.691 40 0 EFABMO COC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096485947 473444437 /nfs/dbraw/zinc/44/44/37/473444437.db2.gz FEPMXSHENAYPHZ-DETPVDSQSA-N 1 1 342.842 2.871 40 0 EFABMO Cc1nc(COc2ccc(C[N@@H+]3CCC4(C3)OCCO4)cc2)cs1 ZINC000096490018 473445481 /nfs/dbraw/zinc/44/54/81/473445481.db2.gz QVCLDUYWLOYAST-UHFFFAOYSA-N 1 1 346.452 2.979 40 0 EFABMO Cc1nc(COc2ccc(C[N@H+]3CCC4(C3)OCCO4)cc2)cs1 ZINC000096490018 473445489 /nfs/dbraw/zinc/44/54/89/473445489.db2.gz QVCLDUYWLOYAST-UHFFFAOYSA-N 1 1 346.452 2.979 40 0 EFABMO COCc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)o1 ZINC000096489659 473445704 /nfs/dbraw/zinc/44/57/04/473445704.db2.gz HEFWPTNAFZLXIQ-UHFFFAOYSA-N 1 1 346.402 2.913 40 0 EFABMO COCc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)o1 ZINC000096489659 473445713 /nfs/dbraw/zinc/44/57/13/473445713.db2.gz HEFWPTNAFZLXIQ-UHFFFAOYSA-N 1 1 346.402 2.913 40 0 EFABMO C[C@H](CCNC(=O)N1CCOCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000096490527 473445992 /nfs/dbraw/zinc/44/59/92/473445992.db2.gz KTNMVUBAXXZAAG-IAGOWNOFSA-N 1 1 333.476 2.717 40 0 EFABMO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000096491978 473447895 /nfs/dbraw/zinc/44/78/95/473447895.db2.gz UNWCBQHFJBWZPS-JTQLQIEISA-N 1 1 340.420 2.939 40 0 EFABMO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000096495822 473450590 /nfs/dbraw/zinc/45/05/90/473450590.db2.gz VXRDDNVUFZAAET-OAHLLOKOSA-N 1 1 341.459 2.566 40 0 EFABMO OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1ncc(Cl)cn1 ZINC000096500780 473452600 /nfs/dbraw/zinc/45/26/00/473452600.db2.gz KHBBLDJIUHOEQP-MRXNPFEDSA-N 1 1 332.835 2.699 40 0 EFABMO Cc1cnccc1CCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000096500584 473452999 /nfs/dbraw/zinc/45/29/99/473452999.db2.gz GIYAOVZRINYMLA-AEFFLSMTSA-N 1 1 344.503 2.885 40 0 EFABMO Cn1c2ccccc2nc1[C@H]([NH2+]CCN1CCCC1=O)c1ccccc1 ZINC000126055134 473483105 /nfs/dbraw/zinc/48/31/05/473483105.db2.gz HEKBAZOKFBZSGM-HXUWFJFHSA-N 1 1 348.450 2.875 40 0 EFABMO Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)n1 ZINC000192615356 473696988 /nfs/dbraw/zinc/69/69/88/473696988.db2.gz QLOGYUWZTZYOHR-HOCLYGCPSA-N 1 1 335.448 2.602 40 0 EFABMO CC[C@H](C)Oc1cc(-c2nc([C@@H]3C[N@H+]4CCC[C@H]4CO3)no2)ccn1 ZINC000274147761 473744189 /nfs/dbraw/zinc/74/41/89/473744189.db2.gz YQFCJDDNAKUCMV-QEJZJMRPSA-N 1 1 344.415 2.845 40 0 EFABMO COc1cccc(C2CC[NH+](CC(=O)NCc3ccco3)CC2)c1 ZINC000194884428 473969018 /nfs/dbraw/zinc/96/90/18/473969018.db2.gz IKFAHHIHQLVYFD-UHFFFAOYSA-N 1 1 328.412 2.784 40 0 EFABMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000195529648 474088701 /nfs/dbraw/zinc/08/87/01/474088701.db2.gz IBUIPMUHJOCAJP-PMACEKPBSA-N 1 1 341.499 2.642 40 0 EFABMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)cc(OC)c1 ZINC000195537654 474091432 /nfs/dbraw/zinc/09/14/32/474091432.db2.gz QPARMGIBNJQDHF-SJORKVTESA-N 1 1 344.455 2.751 40 0 EFABMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC=CCC3)C2)cc(OC)c1 ZINC000195537654 474091439 /nfs/dbraw/zinc/09/14/39/474091439.db2.gz QPARMGIBNJQDHF-SJORKVTESA-N 1 1 344.455 2.751 40 0 EFABMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC(F)(F)F ZINC000195564822 474097436 /nfs/dbraw/zinc/09/74/36/474097436.db2.gz NMDYBXOFIGTFMM-JSGCOSHPSA-N 1 1 329.366 2.759 40 0 EFABMO C[C@H]1CCC[N@@H+]1Cc1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 ZINC000195574663 474098725 /nfs/dbraw/zinc/09/87/25/474098725.db2.gz RPYQWXJLTLXHFH-LBPRGKRZSA-N 1 1 336.436 2.958 40 0 EFABMO C[C@H]1CCC[N@H+]1Cc1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 ZINC000195574663 474098732 /nfs/dbraw/zinc/09/87/32/474098732.db2.gz RPYQWXJLTLXHFH-LBPRGKRZSA-N 1 1 336.436 2.958 40 0 EFABMO CC[NH+]1CCN(C[C@H](C)CNc2ccc(Br)cn2)CC1 ZINC000195575060 474100484 /nfs/dbraw/zinc/10/04/84/474100484.db2.gz JWNVZKYPFHZEFG-CYBMUJFWSA-N 1 1 341.297 2.530 40 0 EFABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1COc1ccccc1 ZINC000224090559 474193475 /nfs/dbraw/zinc/19/34/75/474193475.db2.gz VLVJVMQZRWKUEI-UHFFFAOYSA-N 1 1 340.423 2.662 40 0 EFABMO CNC(=O)c1ccn([C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000275468126 474197749 /nfs/dbraw/zinc/19/77/49/474197749.db2.gz HPGSDKJGLAJKOT-NSHDSACASA-N 1 1 338.864 2.795 40 0 EFABMO CNC(=O)c1ccn([C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000275468126 474197755 /nfs/dbraw/zinc/19/77/55/474197755.db2.gz HPGSDKJGLAJKOT-NSHDSACASA-N 1 1 338.864 2.795 40 0 EFABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COCC(C)C)c2)CC1 ZINC000224454153 474198224 /nfs/dbraw/zinc/19/82/24/474198224.db2.gz GPLZKUBYKSKUJR-UHFFFAOYSA-N 1 1 334.460 2.646 40 0 EFABMO CCCOCc1cc(C(=O)N2CC[NH+](CC)CC2)ccc1OCC ZINC000224710303 474200105 /nfs/dbraw/zinc/20/01/05/474200105.db2.gz YVPHEVUMBMVDDN-UHFFFAOYSA-N 1 1 334.460 2.790 40 0 EFABMO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCC[N@@H+]3Cc2ccccn2)n1 ZINC000247833819 474214141 /nfs/dbraw/zinc/21/41/41/474214141.db2.gz ILCVDEQFRHCVRK-QGPMSJSTSA-N 1 1 345.468 2.734 40 0 EFABMO c1csc(COC[C@H]2CC[C@@H]3[C@@H]2OCC[N@H+]3Cc2ccccn2)n1 ZINC000247833819 474214146 /nfs/dbraw/zinc/21/41/46/474214146.db2.gz ILCVDEQFRHCVRK-QGPMSJSTSA-N 1 1 345.468 2.734 40 0 EFABMO Fc1ccc([C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)c2ncc[nH]2)cc1 ZINC000225473033 474214517 /nfs/dbraw/zinc/21/45/17/474214517.db2.gz WKUXYLDTZXOUIK-KBPBESRZSA-N 1 1 342.340 2.864 40 0 EFABMO Fc1ccc([C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)c2ncc[nH]2)cc1 ZINC000225473002 474215513 /nfs/dbraw/zinc/21/55/13/474215513.db2.gz WKUXYLDTZXOUIK-ZIAGYGMSSA-N 1 1 342.340 2.864 40 0 EFABMO O=C(C[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247855585 474217151 /nfs/dbraw/zinc/21/71/51/474217151.db2.gz KMAOKSPZRVMZCK-MRXNPFEDSA-N 1 1 344.484 2.603 40 0 EFABMO O=C(C[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21)NCCc1cccs1 ZINC000247855585 474217155 /nfs/dbraw/zinc/21/71/55/474217155.db2.gz KMAOKSPZRVMZCK-MRXNPFEDSA-N 1 1 344.484 2.603 40 0 EFABMO CN1c2cccnc2C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1CO ZINC000225495789 474218777 /nfs/dbraw/zinc/21/87/77/474218777.db2.gz OEIDVBXUSQUMPS-INIZCTEOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CN1c2cccnc2C[N@H+](Cc2cccc(Cl)c2)CC[C@H]1CO ZINC000225495789 474218786 /nfs/dbraw/zinc/21/87/86/474218786.db2.gz OEIDVBXUSQUMPS-INIZCTEOSA-N 1 1 331.847 2.938 40 0 biogenic,in-vitro EFABMO CC[C@]1(C)CN(C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)CCO1 ZINC000225504326 474219178 /nfs/dbraw/zinc/21/91/78/474219178.db2.gz YESWXSRKZZANAT-LJQANCHMSA-N 1 1 346.475 2.701 40 0 EFABMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2nc3c(cnn3C)c(N)n2)cc1 ZINC000225512983 474219523 /nfs/dbraw/zinc/21/95/23/474219523.db2.gz BCVBUXVVASCCBW-NSHDSACASA-N 1 1 348.414 2.613 40 0 EFABMO COc1cc(C)c(C(=O)NCCC[NH+]2CCOCC2)cc1C(C)C ZINC000225666485 474234521 /nfs/dbraw/zinc/23/45/21/474234521.db2.gz ZCUULQIKTUVKEN-UHFFFAOYSA-N 1 1 334.460 2.579 40 0 EFABMO Cn1cnc2c1[C@H](C(=O)NCc1cccs1)C[N@@H+](C1CCCC1)C2 ZINC000248009079 474244664 /nfs/dbraw/zinc/24/46/64/474244664.db2.gz DFFITQPDACJADN-OAHLLOKOSA-N 1 1 344.484 2.640 40 0 EFABMO Cn1cnc2c1[C@H](C(=O)NCc1cccs1)C[N@H+](C1CCCC1)C2 ZINC000248009079 474244668 /nfs/dbraw/zinc/24/46/68/474244668.db2.gz DFFITQPDACJADN-OAHLLOKOSA-N 1 1 344.484 2.640 40 0 EFABMO Cc1cccc(N2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)[nH+]1 ZINC000248109898 474261261 /nfs/dbraw/zinc/26/12/61/474261261.db2.gz QMELDSBRSKNXNZ-BRWVUGGUSA-N 1 1 325.412 2.848 40 0 EFABMO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)s1 ZINC000248124366 474261713 /nfs/dbraw/zinc/26/17/13/474261713.db2.gz WLEBBYSTXLBLCK-DJIMGWMZSA-N 1 1 345.468 2.905 40 0 EFABMO COc1cccc(NC(=O)CC[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000248133224 474265534 /nfs/dbraw/zinc/26/55/34/474265534.db2.gz LMEYPNLYQCYLRF-CGTJXYLNSA-N 1 1 332.444 2.769 40 0 EFABMO CS(=O)(=O)CC1(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000241564235 474555911 /nfs/dbraw/zinc/55/59/11/474555911.db2.gz OSNJPFMWSYTIGD-UHFFFAOYSA-N 1 1 343.439 2.969 40 0 EFABMO C[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000242106257 474558736 /nfs/dbraw/zinc/55/87/36/474558736.db2.gz WIGABDCCHSWGLX-UGUYLWEFSA-N 1 1 325.497 2.752 40 0 EFABMO O[C@@H]1CC[N@@H+](Cc2nc(-c3cccnc3Cl)no2)[C@H]2CCCC[C@@H]12 ZINC000245227770 474572806 /nfs/dbraw/zinc/57/28/06/474572806.db2.gz UYCRVAISBCXPHX-KWCYVHTRSA-N 1 1 348.834 2.910 40 0 EFABMO Cc1cccc([C@H](C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1C ZINC000245339512 474574467 /nfs/dbraw/zinc/57/44/67/474574467.db2.gz UDFMVZKKXAOYAG-ULQDDVLXSA-N 1 1 331.460 2.527 40 0 EFABMO CC[C@@H]1CCCC[N@H+]1[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1=O ZINC000245380370 474575082 /nfs/dbraw/zinc/57/50/82/474575082.db2.gz XSNMHHKCQGMGIY-WBVHZDCISA-N 1 1 343.427 2.541 40 0 EFABMO OCc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000272281644 474606295 /nfs/dbraw/zinc/60/62/95/474606295.db2.gz FNIGMKZVEKXIQV-VQTJNVASSA-N 1 1 327.424 2.503 40 0 EFABMO OCc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000272281644 474606302 /nfs/dbraw/zinc/60/63/02/474606302.db2.gz FNIGMKZVEKXIQV-VQTJNVASSA-N 1 1 327.424 2.503 40 0 EFABMO O=C(N[C@H]1CCCOc2ccccc21)c1cc(C[NH+]2CCCC2)on1 ZINC000291625875 474634739 /nfs/dbraw/zinc/63/47/39/474634739.db2.gz FXBMAOXEOUIDSV-INIZCTEOSA-N 1 1 341.411 2.914 40 0 EFABMO COc1ccccc1C[C@@H](C)CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000252477383 474662082 /nfs/dbraw/zinc/66/20/82/474662082.db2.gz MUVPLEBOSVLKNC-AEFFLSMTSA-N 1 1 330.472 2.961 40 0 EFABMO C[C@H](NC(=O)c1ccc(OC2CCOCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272996423 474662122 /nfs/dbraw/zinc/66/21/22/474662122.db2.gz QRYKBHSRFDPKCB-HNNXBMFYSA-N 1 1 344.455 2.625 40 0 EFABMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCC=C(c2ccccc2)C1 ZINC000252478269 474663359 /nfs/dbraw/zinc/66/33/59/474663359.db2.gz AHLZMHCXYOKRGK-INIZCTEOSA-N 1 1 336.439 2.944 40 0 EFABMO c1ccc(N2CC[NH+](C3CCN(C[C@H]4CCCCO4)CC3)CC2)cc1 ZINC000252499125 474682163 /nfs/dbraw/zinc/68/21/63/474682163.db2.gz RVTPMKXABCTDMO-OAQYLSRUSA-N 1 1 343.515 2.842 40 0 EFABMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000252539128 474695721 /nfs/dbraw/zinc/69/57/21/474695721.db2.gz NSYMQKMCAVPJLY-NNIGNNQHSA-N 1 1 338.536 2.917 40 0 EFABMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(CCO)cc1 ZINC000252584918 474698258 /nfs/dbraw/zinc/69/82/58/474698258.db2.gz DTYQXVLCKIQUCK-OXQOHEQNSA-N 1 1 325.456 2.939 40 0 EFABMO CSc1cccc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000253417943 474744123 /nfs/dbraw/zinc/74/41/23/474744123.db2.gz PEMLDTJELIYURC-CJNGLKHVSA-N 1 1 349.500 2.901 40 0 EFABMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCc2cccc(C)n2)C1 ZINC000253419907 474747243 /nfs/dbraw/zinc/74/72/43/474747243.db2.gz DICHZVCPRUJTCF-KRWDZBQOSA-N 1 1 341.459 2.738 40 0 EFABMO Cc1ccc(F)cc1C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000253426303 474751032 /nfs/dbraw/zinc/75/10/32/474751032.db2.gz SNWILUZRBZAYBL-CYBMUJFWSA-N 1 1 336.432 2.975 40 0 EFABMO CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000253428491 474754297 /nfs/dbraw/zinc/75/42/97/474754297.db2.gz LDPQJFGTOAESDK-CXAGYDPISA-N 1 1 334.441 2.747 40 0 EFABMO CCn1cc(C[N@@H+]2CCCN(c3nc(CC(C)C)ns3)CC2)cn1 ZINC000253429359 474754531 /nfs/dbraw/zinc/75/45/31/474754531.db2.gz RRSLZEBNWAMARD-UHFFFAOYSA-N 1 1 348.520 2.665 40 0 EFABMO CCn1cc(C[N@H+]2CCCN(c3nc(CC(C)C)ns3)CC2)cn1 ZINC000253429359 474754535 /nfs/dbraw/zinc/75/45/35/474754535.db2.gz RRSLZEBNWAMARD-UHFFFAOYSA-N 1 1 348.520 2.665 40 0 EFABMO O=C1c2cccn2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2N1CC1CC1 ZINC000306123872 474806691 /nfs/dbraw/zinc/80/66/91/474806691.db2.gz AZGIQLPHIQRAHG-RBUKOAKNSA-N 1 1 339.414 2.919 40 0 EFABMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)/C=C/c1cccs1)CC2 ZINC000306125033 474806917 /nfs/dbraw/zinc/80/69/17/474806917.db2.gz CFBVFWHQDIGFQJ-NFAHFFEMSA-N 1 1 334.485 2.578 40 0 EFABMO COC[C@H]1CC[N@@H+](C)C2(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000306127100 474807643 /nfs/dbraw/zinc/80/76/43/474807643.db2.gz FOJLENALEUOENF-CCLIWJKGSA-N 1 1 346.515 2.772 40 0 EFABMO Cn1cc(C[N@@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cn1 ZINC000306132751 474809020 /nfs/dbraw/zinc/80/90/20/474809020.db2.gz LQZGHNKFJDDYIA-ROUUACIJSA-N 1 1 333.439 2.588 40 0 EFABMO CC(C)n1cnc([C@@H]2C[N@@H+](CC3CC3)C[C@]23CCCN(C)C3=O)c1 ZINC000306131242 474809970 /nfs/dbraw/zinc/80/99/70/474809970.db2.gz JZDZIEJHHXALBA-QFBILLFUSA-N 1 1 330.476 2.512 40 0 EFABMO NC(=O)c1cc(C[C@@H]2CCC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)ncn1 ZINC000257254236 474927089 /nfs/dbraw/zinc/92/70/89/474927089.db2.gz KCHIRFPTRPCRFX-AWEZNQCLSA-N 1 1 349.438 2.512 40 0 EFABMO CC(C)[N@H+]1CCC[C@@H]1c1cncc(N2CC3(CCOCC3)OC2=O)n1 ZINC000257269924 474927944 /nfs/dbraw/zinc/92/79/44/474927944.db2.gz MRZIUOULQPZQQY-OAHLLOKOSA-N 1 1 346.431 2.528 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)[nH]1 ZINC000257287544 474933098 /nfs/dbraw/zinc/93/30/98/474933098.db2.gz PQKGQKBPZXDAIP-IEBWSBKVSA-N 1 1 329.444 2.685 40 0 EFABMO COc1ccccc1[C@H]1CN(Cc2nccn2C(C)C)CC[N@@H+]1C ZINC000257287799 474934518 /nfs/dbraw/zinc/93/45/18/474934518.db2.gz PROAGTJBQPKWMX-QGZVFWFLSA-N 1 1 328.460 2.961 40 0 EFABMO COc1ccccc1[C@H]1CN(Cc2nccn2C(C)C)CC[N@H+]1C ZINC000257287799 474934528 /nfs/dbraw/zinc/93/45/28/474934528.db2.gz PROAGTJBQPKWMX-QGZVFWFLSA-N 1 1 328.460 2.961 40 0 EFABMO C[N@@H+](Cc1cccc(OCCO)c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257292243 474936604 /nfs/dbraw/zinc/93/66/04/474936604.db2.gz QKQMIPVXDGFPOO-GOSISDBHSA-N 1 1 341.455 2.554 40 0 EFABMO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc4c(N)nn(C)c4n3)C2)cs1 ZINC000257293356 474936761 /nfs/dbraw/zinc/93/67/61/474936761.db2.gz QPDDPQXVDBACEY-GFCCVEGCSA-N 1 1 342.472 2.695 40 0 EFABMO Cc1c[nH]c(-c2cc(C[C@@H]3CC[N@@H+](Cc4ccccn4)C3)ncn2)n1 ZINC000257299099 474940193 /nfs/dbraw/zinc/94/01/93/474940193.db2.gz ROSAWMIGMQNNMH-HNNXBMFYSA-N 1 1 334.427 2.635 40 0 EFABMO CC(=O)Nc1nc(C)c(-c2cncc(C[C@@H]3CCC[N@H+](C)C3)n2)s1 ZINC000257299610 474941183 /nfs/dbraw/zinc/94/11/83/474941183.db2.gz RQTYBVLIOPAIFH-ZDUSSCGKSA-N 1 1 345.472 2.751 40 0 EFABMO Cc1noc(C)c1-c1cccc([C@H]2C[N@H+](C3CCOCC3)CCO2)n1 ZINC000257302291 474943187 /nfs/dbraw/zinc/94/31/87/474943187.db2.gz SCIXYDLIRGOJEJ-GOSISDBHSA-N 1 1 343.427 2.906 40 0 EFABMO COCC[N@H+]1CCC[C@@H](c2cncc(-c3cnn(C(C)C)c3)n2)C1 ZINC000257310987 474948107 /nfs/dbraw/zinc/94/81/07/474948107.db2.gz UHKWEJWPIVDZAV-OAHLLOKOSA-N 1 1 329.448 2.747 40 0 EFABMO COc1ccc2ccccc2c1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257317281 474950051 /nfs/dbraw/zinc/95/00/51/474950051.db2.gz VJCNYPYFYNRCTL-PMACEKPBSA-N 1 1 327.424 2.964 40 0 EFABMO CN1CCC([N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)CC1 ZINC000257320946 474952588 /nfs/dbraw/zinc/95/25/88/474952588.db2.gz VZKJJLGWPYPMMF-SFTDATJTSA-N 1 1 344.499 2.921 40 0 EFABMO CCc1nc(C)c(C[N@@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)[nH]1 ZINC000257329237 474956768 /nfs/dbraw/zinc/95/67/68/474956768.db2.gz XJAVDPSSBRFSEK-SFHVURJKSA-N 1 1 341.459 2.649 40 0 EFABMO CCc1nc(C)c(C[N@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)[nH]1 ZINC000257329237 474956774 /nfs/dbraw/zinc/95/67/74/474956774.db2.gz XJAVDPSSBRFSEK-SFHVURJKSA-N 1 1 341.459 2.649 40 0 EFABMO CNC(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000257332632 474958930 /nfs/dbraw/zinc/95/89/30/474958930.db2.gz XYBSVWBVGAISAM-LLVKDONJSA-N 1 1 330.457 2.783 40 0 EFABMO Cc1ccsc1C(=O)N1CCC[C@@H]1c1cncc(C[NH+](C)C)n1 ZINC000257334369 474959118 /nfs/dbraw/zinc/95/91/18/474959118.db2.gz YFPOGOAPXFOSRU-OAHLLOKOSA-N 1 1 330.457 2.885 40 0 EFABMO CC(=O)N1[C@H]2CC[N@@H+](Cc3ccccc3Cl)C[C@@H]2C[C@]1(C)CO ZINC000257332564 474960254 /nfs/dbraw/zinc/96/02/54/474960254.db2.gz XXWIPUVNWJGWAV-RYQLBKOJSA-N 1 1 336.863 2.534 40 0 EFABMO Nc1nccnc1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000257337581 474962011 /nfs/dbraw/zinc/96/20/11/474962011.db2.gz YTKALKUFNZTCAJ-HNNXBMFYSA-N 1 1 348.454 2.904 40 0 EFABMO Cn1nccc1CN1CC[N@@H+](C)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257336994 474962080 /nfs/dbraw/zinc/96/20/80/474962080.db2.gz YQXQDBJRSJURSU-GOSISDBHSA-N 1 1 349.482 2.575 40 0 EFABMO Cn1ccnc1C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257341065 474963207 /nfs/dbraw/zinc/96/32/07/474963207.db2.gz ZISFJDXFYSLPNO-MRXNPFEDSA-N 1 1 325.412 2.857 40 0 EFABMO Cn1ccnc1C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257341065 474963213 /nfs/dbraw/zinc/96/32/13/474963213.db2.gz ZISFJDXFYSLPNO-MRXNPFEDSA-N 1 1 325.412 2.857 40 0 EFABMO O=c1cc(C[C@H]2COCC[N@H+](Cc3ccccc3Cl)C2)nc[nH]1 ZINC000257340396 474963760 /nfs/dbraw/zinc/96/37/60/474963760.db2.gz ZFWFBQTYHJTUJA-CYBMUJFWSA-N 1 1 333.819 2.527 40 0 EFABMO COCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000390833301 476805303 /nfs/dbraw/zinc/80/53/03/476805303.db2.gz FUKBRGUGVVWCDB-RBUKOAKNSA-N 1 1 342.483 2.926 40 0 EFABMO CN(c1cc[nH+]c(N2CCOCC2)n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000582246338 478551017 /nfs/dbraw/zinc/55/10/17/478551017.db2.gz VHYFEBUFMBTQRQ-BETUJISGSA-N 1 1 344.381 2.871 40 0 EFABMO Cn1nc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c2ccccc21 ZINC000529522110 479189246 /nfs/dbraw/zinc/18/92/46/479189246.db2.gz YMCBUOVTOYIUBL-AWEZNQCLSA-N 1 1 326.444 2.710 40 0 EFABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@H+]1CC1CC1 ZINC000585096732 479281939 /nfs/dbraw/zinc/28/19/39/479281939.db2.gz BNMFFRNNCYSFBI-LLVKDONJSA-N 1 1 333.823 2.692 40 0 EFABMO C[C@@H]1c2nnc(COc3cncc(Cl)c3)n2CC[N@@H+]1CC1CC1 ZINC000585096732 479281942 /nfs/dbraw/zinc/28/19/42/479281942.db2.gz BNMFFRNNCYSFBI-LLVKDONJSA-N 1 1 333.823 2.692 40 0 EFABMO O=C1CC[C@]2(CCC[N@@H+](Cc3nccs3)CC2)N1C[C@H]1CCCO1 ZINC000585099864 479282460 /nfs/dbraw/zinc/28/24/60/479282460.db2.gz MDVQNOFWLJKEDA-QAPCUYQASA-N 1 1 349.500 2.669 40 0 EFABMO CC(C)CC[N@H+]1CCC[C@@]2(CC(C(=O)NC3CC(F)(F)C3)=NO2)C1 ZINC000585101090 479283293 /nfs/dbraw/zinc/28/32/93/479283293.db2.gz CKGYLJBRQMQRGX-MRXNPFEDSA-N 1 1 343.418 2.557 40 0 EFABMO CCn1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)cn1 ZINC000585104434 479285900 /nfs/dbraw/zinc/28/59/00/479285900.db2.gz INSBNGPOYPVVLK-KRWDZBQOSA-N 1 1 344.484 2.575 40 0 EFABMO c1cncc(CO[C@H]2CSC3(C[NH+](Cc4cccnc4)C3)C2)c1 ZINC000585105305 479286185 /nfs/dbraw/zinc/28/61/85/479286185.db2.gz SQDUHVUJHWVOHF-QGZVFWFLSA-N 1 1 327.453 2.753 40 0 EFABMO COCC[N@H+]1CCCC[C@H]1C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000585113229 479288455 /nfs/dbraw/zinc/28/84/55/479288455.db2.gz NSHZIWOUJNXATO-FQEVSTJZSA-N 1 1 344.499 2.969 40 0 EFABMO NC(=O)c1cc(C[C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)ncn1 ZINC000585182530 479303724 /nfs/dbraw/zinc/30/37/24/479303724.db2.gz DZYLPCPPRDXNAI-CQSZACIVSA-N 1 1 349.438 2.512 40 0 EFABMO CCCc1ncc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cn1 ZINC000585276586 479306387 /nfs/dbraw/zinc/30/63/87/479306387.db2.gz NNCBAQLVRCRBKZ-FQEVSTJZSA-N 1 1 341.455 2.835 40 0 EFABMO CCCc1ncc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cn1 ZINC000585276586 479306396 /nfs/dbraw/zinc/30/63/96/479306396.db2.gz NNCBAQLVRCRBKZ-FQEVSTJZSA-N 1 1 341.455 2.835 40 0 EFABMO Cc1[nH]ncc1C[NH2+]C[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585285436 479309060 /nfs/dbraw/zinc/30/90/60/479309060.db2.gz CWMLGGJSGGURCA-ATZDWAIDSA-N 1 1 329.444 2.725 40 0 EFABMO Cc1cccc(N2CCC(O)(C[N@H+](C)[C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000585287122 479309759 /nfs/dbraw/zinc/30/97/59/479309759.db2.gz UBEGIAHHQNQERO-OALUTQOASA-N 1 1 332.488 2.562 40 0 EFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccccc1Cl ZINC000585292774 479310435 /nfs/dbraw/zinc/31/04/35/479310435.db2.gz NYGODMONBKZRMA-KBAYOESNSA-N 1 1 335.806 2.800 40 0 EFABMO Cc1nnsc1C[N@@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585289735 479310835 /nfs/dbraw/zinc/31/08/35/479310835.db2.gz WJTCCTAXPROULX-YXJHDRRASA-N 1 1 347.484 2.948 40 0 EFABMO Cc1nnsc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585289735 479310844 /nfs/dbraw/zinc/31/08/44/479310844.db2.gz WJTCCTAXPROULX-YXJHDRRASA-N 1 1 347.484 2.948 40 0 EFABMO CC(C)c1ccc2ncnc(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)c2c1 ZINC000663970813 482428963 /nfs/dbraw/zinc/42/89/63/482428963.db2.gz IZEMRBFNXBPRKK-GASCZTMLSA-N 1 1 328.460 2.645 40 0 EFABMO COC(=O)c1ccccc1CC[N@H+]1CCSC2(CCOCC2)C1 ZINC000187566435 534289560 /nfs/dbraw/zinc/28/95/60/534289560.db2.gz LRSBAKFKROXPNG-UHFFFAOYSA-N 1 1 335.469 2.614 40 0 EFABMO C[N@@H+]1CC[C@@H](CNC(=O)c2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289958 536449546 /nfs/dbraw/zinc/44/95/46/536449546.db2.gz GHJGJNAKFFGJMB-BLLLJJGKSA-N 1 1 348.809 2.692 40 0 EFABMO C[N@H+]1CC[C@@H](CNC(=O)c2cnccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245289958 536449548 /nfs/dbraw/zinc/44/95/48/536449548.db2.gz GHJGJNAKFFGJMB-BLLLJJGKSA-N 1 1 348.809 2.692 40 0 EFABMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCOCC3)c2)no1 ZINC000035424630 535179743 /nfs/dbraw/zinc/17/97/43/535179743.db2.gz ZJIQPIGCDKEBJJ-HNNXBMFYSA-N 1 1 343.431 2.514 40 0 biogenic,in-vitro EFABMO O=C1CC[C@H]2C[N@@H+](Cc3cnc4ccccc4n3)CC[C@H]2N1C1CC1 ZINC000585094320 546371085 /nfs/dbraw/zinc/37/10/85/546371085.db2.gz JIPFRGBLAHOYJW-IFXJQAMLSA-N 1 1 336.439 2.605 40 0 EFABMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000225578497 568423040 /nfs/dbraw/zinc/42/30/40/568423040.db2.gz IXEWCHAHPDHMER-AWEZNQCLSA-N 1 1 348.468 2.844 40 0 EFABMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C ZINC000225578467 568423054 /nfs/dbraw/zinc/42/30/54/568423054.db2.gz IXEWCHAHPDHMER-CQSZACIVSA-N 1 1 348.468 2.844 40 0 EFABMO O=C(NCC1CC1)[C@@H]1C[N@@H+](CC2CC2)[C@H]2c3cc(F)ccc3OC[C@H]21 ZINC001772595524 1249162297 /nfs/dbraw/zinc/16/22/97/1249162297.db2.gz CUULXUWDBAXPMH-AOIWGVFYSA-N 1 1 344.430 2.743 40 0 EFABMO O=C(NC1CCC1)[C@@H]1C[N@@H+](CC2CC2)[C@H]2c3ccccc3OC[C@H]21 ZINC001772595958 1249168380 /nfs/dbraw/zinc/16/83/80/1249168380.db2.gz VSYXFOMHFXGEDC-AOIWGVFYSA-N 1 1 326.440 2.747 40 0 EFABMO